#METABOLOMICS WORKBENCH huntermoseley_20200822_090756 DATATRACK_ID:2145 STUDY_ID:ST001463 ANALYSIS_ID:AN002438 PROJECT_ID:000000 VERSION 1 CREATED_ON August 26, 2020, 5:32 pm #PROJECT PR:PROJECT_TITLE Metabolomics of lung injury after allogeneic hematopoietic cell transplantation PR:PROJECT_SUMMARY Allogeneic hematopoietic cell transplantation (allo-HCT) is a potentially PR:PROJECT_SUMMARY curative treatment option for a variety of hematological malignancies. PR:PROJECT_SUMMARY Interactions between the donor immune system and the patient tissue result in a PR:PROJECT_SUMMARY disease, called GVHD. The pathophysiology of acute GVHD can be hypothesized in PR:PROJECT_SUMMARY three sequential phases: cytokine storm and activation of the antigen-presenting PR:PROJECT_SUMMARY cells (APC), donor T cell activation and effector cell phase. Idiopathic PR:PROJECT_SUMMARY pneumonia syndrome (IPS) is one of the most deleterious complications after PR:PROJECT_SUMMARY allogeneic HCT and is considered not only to be related to conditioning regimen PR:PROJECT_SUMMARY toxicity but also represents an end organ damage caused by allo-reactive T PR:PROJECT_SUMMARY cells, therefore making the lung susceptible to a two-pronged attack, one of PR:PROJECT_SUMMARY which overlaps with GVHD causing other target organ injury. IPS results in PR:PROJECT_SUMMARY mortality of up to 90% of patients. We will use a murine model of IPS and GVHD PR:PROJECT_SUMMARY which is well established in our group, and in which disease evolves either PR:PROJECT_SUMMARY across disparities in major histocompatibility complex (MCH) class I and II, PR:PROJECT_SUMMARY minor histocompatibility antigens (miHags) or both. Metabolomics changes PR:PROJECT_SUMMARY following syngeneic and allogeneic HCT at post-transplantation Days +7 (cytokine PR:PROJECT_SUMMARY storm phase) and Days +42 (cellular effector phase) are compared to baseline PR:PROJECT_SUMMARY wild-type (naive) controls. Prior to analysis, naïve - and experimental mice PR:PROJECT_SUMMARY (N=3 from each group) were fed with semi-liquid diet supplemented with tracers PR:PROJECT_SUMMARY (13C6-glucose ) over 24 hours. At the end of 7 days or 42 days, respectively, PR:PROJECT_SUMMARY feces and aGVHD target organs (colon, liver and lung) were collected from all PR:PROJECT_SUMMARY groups and further processed and / or analyzed. We expect to reveal metabolic PR:PROJECT_SUMMARY pathways affected after allo-HCT which contribute to immune cell mediated lung PR:PROJECT_SUMMARY injury (IPS) and will potentially identify different metabolic pathways in other PR:PROJECT_SUMMARY GVHD target organs. PR:INSTITUTE University of Kentucky PR:DEPARTMENT Markey Cancer Center, Hematology and Blood and Marrow Transplant PR:LAST_NAME Hildebrandt PR:FIRST_NAME Gerhard PR:ADDRESS Gerhard C. Hildebrandt, MD, Room no. CC401A, Ben Roach Building, Markey Cancer PR:ADDRESS Center University of Kentucky, Lexington, 40536 PR:EMAIL gerhard.hildebrandt@uky.edu PR:PHONE 800-333-8874 #STUDY ST:STUDY_TITLE Metabolomics of lung injury after allogeneic hematopoietic cell transplantation ST:STUDY_TITLE - Small Intenstines NMR 1D ST:STUDY_TYPE preliminary data ST:STUDY_SUMMARY Allogeneic hematopoietic cell transplantation (allo-HCT) is a potentially ST:STUDY_SUMMARY curative treatment option for a variety of hematological malignancies. ST:STUDY_SUMMARY Interactions between the donor immune system and the patient tissue result in a ST:STUDY_SUMMARY disease, called GVHD. The pathophysiology of acute GVHD can be hypothesized in ST:STUDY_SUMMARY three sequential phases: cytokine storm and activation of the antigen-presenting ST:STUDY_SUMMARY cells (APC), donor T cell activation and effector cell phase. Idiopathic ST:STUDY_SUMMARY pneumonia syndrome (IPS) is one of the most deleterious complications after ST:STUDY_SUMMARY allogeneic HCT and is considered not only to be related to conditioning regimen ST:STUDY_SUMMARY toxicity but also represents an end organ damage caused by allo-reactive T ST:STUDY_SUMMARY cells, therefore making the lung susceptible to a two-pronged attack, one of ST:STUDY_SUMMARY which overlaps with GVHD causing other target organ injury. IPS results in ST:STUDY_SUMMARY mortality of up to 90% of patients. We will use a murine model of IPS and GVHD ST:STUDY_SUMMARY which is well established in our group, and in which disease evolves either ST:STUDY_SUMMARY across disparities in major histocompatibility complex (MCH) class I and II, ST:STUDY_SUMMARY minor histocompatibility antigens (miHags) or both. Metabolomics changes ST:STUDY_SUMMARY following syngeneic and allogeneic HCT at post-transplantation Days +7 (cytokine ST:STUDY_SUMMARY storm phase) and Days +42 (cellular effector phase) are compared to baseline ST:STUDY_SUMMARY wild-type (naive) controls. Prior to analysis, naïve - and experimental mice ST:STUDY_SUMMARY (N=3 from each group) were fed with semi-liquid diet supplemented with tracers ST:STUDY_SUMMARY (13C6-glucose ) over 24 hours. At the end of 7 days or 42 days, respectively, ST:STUDY_SUMMARY feces and aGVHD target organs (colon, liver and lung) were collected from all ST:STUDY_SUMMARY groups and further processed and / or analyzed. We expect to reveal metabolic ST:STUDY_SUMMARY pathways affected after allo-HCT which contribute to immune cell mediated lung ST:STUDY_SUMMARY injury (IPS) and will potentially identify different metabolic pathways in other ST:STUDY_SUMMARY GVHD target organs. ST:INSTITUTE University of Kentucky ST:DEPARTMENT MCC ST:LAST_NAME Hildebrandt ST:FIRST_NAME Gerhard ST:ADDRESS CTW-453, 900 South Limestone street. UKY. Lexington, Kentucky-40536 ST:EMAIL gerhard.hildebrandt@uky.edu ST:PHONE 800-333-8874 #SUBJECT SU:SUBJECT_TYPE Mammal SU:SUBJECT_SPECIES Mus musculus SU:TAXONOMY_ID 10090 #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data SUBJECT_SAMPLE_FACTORS - 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Treatment Protocol:naive lineage_1=03_A2_naive_0days_UKy_GCH_rep3; protocol.id=['naive']; replicate=3; species=Mus musculus; species_type=Mouse; taxonomy_id=10090; time_point=-; lineage_2=03_A2_SI_naive_0days_170427_UKy_GCH_rep3; protocol.id=['mouse_tissue_collection', 'tissue_quench', 'frozen_tissue_grind']; lineage_3=03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A; protocol.id=['polar_extraction', 'NMR_file_storage33']; replicate=1; replicate%type=analytical; type=cell_extract; weight=0.4066; weight%units=g; lineage_4=03_A2_SI_naive_0days_170427_UKy_GCH_rep3-protein; protein_weight=0.8819362150128038; protein_weight%units=mg; protocol.id=['protein_extraction']; RAW_FILE_NAME=03_A2_13C6-Glc_UKy_GCH_Ms_SmInt_PRESAT_01.fid/fid SUBJECT_SAMPLE_FACTORS - 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Treatment Protocol:allogenic lineage_1=14_C1-2_allogenic_7days_UKy_GCH_rep2; protocol.id=['allogenic']; replicate=2; species=Mus musculus; species_type=Mouse; taxonomy_id=10090; time_point=7; lineage_2=14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2; protocol.id=['mouse_tissue_collection', 'tissue_quench', 'frozen_tissue_grind']; lineage_3=14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A; protocol.id=['polar_extraction', 'NMR_file_storage44']; replicate=1; replicate%type=analytical; type=cell_extract; weight=0.4114; weight%units=g; lineage_4=14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-protein; protein_weight=2.9949937519110956; protein_weight%units=mg; protocol.id=['protein_extraction']; RAW_FILE_NAME=14_C1-2_13C6-Glc_UKy_GCH_Ms_SmInt_PRESAT_01.fid/fid SUBJECT_SAMPLE_FACTORS - 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Treatment Protocol:syngenic lineage_1=12_B1-2_syngenic_7days_UKy_GCH_rep3; protocol.id=['syngenic']; replicate=3; species=Mus musculus; species_type=Mouse; taxonomy_id=10090; time_point=7; lineage_2=12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3; protocol.id=['mouse_tissue_collection', 'tissue_quench', 'frozen_tissue_grind']; lineage_3=12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A; protocol.id=['polar_extraction', 'NMR_file_storage42']; replicate=1; replicate%type=analytical; type=cell_extract; weight=0.4225; weight%units=g; lineage_4=12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-protein; protein_weight=0.8102614389604975; protein_weight%units=mg; protocol.id=['protein_extraction']; RAW_FILE_NAME=12_B1-2_13C6-Glc_UKy_GCH_Ms_SmInt_PRESAT_01.fid/fid SUBJECT_SAMPLE_FACTORS - 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Treatment Protocol:allogenic lineage_1=08_C1-2_allogenic_42days_UKy_GCH_rep2; protocol.id=['allogenic']; replicate=2; species=Mus musculus; species_type=Mouse; taxonomy_id=10090; time_point=42; lineage_2=08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2; protocol.id=['mouse_tissue_collection', 'tissue_quench', 'frozen_tissue_grind']; lineage_3=08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A; protocol.id=['polar_extraction', 'NMR_file_storage38']; replicate=1; replicate%type=analytical; type=cell_extract; weight=0.4212; weight%units=g; lineage_4=08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-protein; protein_weight=3.1425075687553528; protein_weight%units=mg; protocol.id=['protein_extraction']; RAW_FILE_NAME=08_C1-2_13C6-Glc_UKy_GCH_Ms_SmInt_PRESAT_01.fid/fid SUBJECT_SAMPLE_FACTORS - 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Treatment Protocol:syngenic lineage_1=11_B1-1_syngenic_7days_UKy_GCH_rep2; protocol.id=['syngenic']; replicate=2; species=Mus musculus; species_type=Mouse; taxonomy_id=10090; time_point=7; lineage_2=11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2; protocol.id=['mouse_tissue_collection', 'tissue_quench', 'frozen_tissue_grind']; lineage_3=11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A; protocol.id=['polar_extraction', 'NMR_file_storage41']; replicate=1; replicate%type=analytical; type=cell_extract; weight=0.4188; weight%units=g; lineage_4=11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-protein; protein_weight=2.378970613770366; protein_weight%units=mg; protocol.id=['protein_extraction']; RAW_FILE_NAME=11_B1-1_13C6-Glc_UKy_GCH_Ms_SmInt_PRESAT_01.fid/fid SUBJECT_SAMPLE_FACTORS - 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Treatment Protocol:naive lineage_1=02_A1_naive_0days_UKy_GCH_rep2; protocol.id=['naive']; replicate=2; species=Mus musculus; species_type=Mouse; taxonomy_id=10090; time_point=-; lineage_2=02_A1_SI_naive_0days_170427_UKy_GCH_rep2; protocol.id=['mouse_tissue_collection', 'tissue_quench', 'frozen_tissue_grind']; lineage_3=02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A; protocol.id=['polar_extraction', 'NMR_file_storage32']; replicate=1; replicate%type=analytical; type=cell_extract; weight=0.4087; weight%units=g; lineage_4=02_A1_SI_naive_0days_170427_UKy_GCH_rep2-protein; protein_weight=1.2310244885693347; protein_weight%units=mg; protocol.id=['protein_extraction']; RAW_FILE_NAME=02_A1_13C6-Glc_UKy_GCH_Ms_SmInt_PRESAT_01.fid/fid SUBJECT_SAMPLE_FACTORS - 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Treatment Protocol:allogenic lineage_1=07_C1-1_allogenic_42days_UKy_GCH_rep1; protocol.id=['allogenic']; replicate=1; species=Mus musculus; species_type=Mouse; taxonomy_id=10090; time_point=42; lineage_2=07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1; protocol.id=['mouse_tissue_collection', 'tissue_quench', 'frozen_tissue_grind']; lineage_3=07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A; protocol.id=['polar_extraction', 'NMR_file_storage37']; replicate=1; replicate%type=analytical; type=cell_extract; weight=0.4186; weight%units=g; lineage_4=07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-protein; protein_weight=3.4114953724241492; protein_weight%units=mg; protocol.id=['protein_extraction']; RAW_FILE_NAME=07_C1-1_13C6-Glc_UKy_GCH_Ms_SmInt_PRESAT_01.fid/fid SUBJECT_SAMPLE_FACTORS - 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Treatment Protocol:allogenic lineage_1=13_C1-1_allogenic_7days_UKy_GCH_rep1; protocol.id=['allogenic']; replicate=1; species=Mus musculus; species_type=Mouse; taxonomy_id=10090; time_point=7; lineage_2=13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1; protocol.id=['mouse_tissue_collection', 'tissue_quench', 'frozen_tissue_grind']; lineage_3=13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A; protocol.id=['polar_extraction', 'NMR_file_storage43']; replicate=1; replicate%type=analytical; type=cell_extract; weight=0.1982; weight%units=g; lineage_4=13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-protein; protein_weight=1.4507095321124897; protein_weight%units=mg; protocol.id=['protein_extraction']; RAW_FILE_NAME=13_C1-1_13C6-Glc_UKy_GCH_Ms_SmInt_PRESAT_01.fid/fid SUBJECT_SAMPLE_FACTORS - 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Treatment Protocol:syngenic lineage_1=04_B0_syngenic_42days_UKy_GCH_rep1; protocol.id=['syngenic']; replicate=1; species=Mus musculus; species_type=Mouse; taxonomy_id=10090; time_point=42; lineage_2=04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1; protocol.id=['mouse_tissue_collection', 'tissue_quench', 'frozen_tissue_grind']; lineage_3=04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A; protocol.id=['polar_extraction', 'NMR_file_storage34']; replicate=1; replicate%type=analytical; type=cell_extract; weight=0.4117; weight%units=g; lineage_4=04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-protein; protein_weight=0.9825758684635557; protein_weight%units=mg; protocol.id=['protein_extraction']; RAW_FILE_NAME=04_B0_13C6-Glc_UKy_GCH_Ms_SmInt_PRESAT_01.fid/fid SUBJECT_SAMPLE_FACTORS - 06_B2_SI_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Treatment Protocol:syngenic lineage_1=06_B2_syngenic_42days_UKy_GCH_rep3; protocol.id=['syngenic']; replicate=3; species=Mus musculus; species_type=Mouse; taxonomy_id=10090; time_point=42; lineage_2=06_B2_SI_syngenic_42days_170427_UKy_GCH_rep3; protocol.id=['mouse_tissue_collection', 'tissue_quench', 'frozen_tissue_grind']; lineage_3=06_B2_SI_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A; protocol.id=['polar_extraction', 'NMR_file_storage36']; replicate=1; replicate%type=analytical; type=cell_extract; weight=0.1639; weight%units=g; lineage_4=06_B2_SI_syngenic_42days_170427_UKy_GCH_rep3-protein; protein_weight=0.5913021972603197; protein_weight%units=mg; protocol.id=['protein_extraction']; RAW_FILE_NAME=06_B2_13C6-Glc_UKy_GCH_Ms_SmInt_PRESAT_01.fid/fid SUBJECT_SAMPLE_FACTORS - 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Treatment Protocol:syngenic lineage_1=10_B1-0_syngenic_7days_UKy_GCH_rep1; protocol.id=['syngenic']; replicate=1; species=Mus musculus; species_type=Mouse; taxonomy_id=10090; time_point=7; lineage_2=10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1; protocol.id=['mouse_tissue_collection', 'tissue_quench', 'frozen_tissue_grind']; lineage_3=10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A; protocol.id=['polar_extraction', 'NMR_file_storage40']; replicate=1; replicate%type=analytical; type=cell_extract; weight=0.4268; weight%units=g; lineage_4=10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-protein; protein_weight=1.8221409547723206; protein_weight%units=mg; protocol.id=['protein_extraction']; RAW_FILE_NAME=10_B1-0_13C6-Glc_UKy_GCH_Ms_SmInt_PRESAT_01.fid/fid SUBJECT_SAMPLE_FACTORS - 15_C1-20_SI_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Treatment Protocol:allogenic lineage_1=15_C1-20_allogenic_7days_UKy_GCH_rep3; protocol.id=['allogenic']; replicate=3; species=Mus musculus; species_type=Mouse; taxonomy_id=10090; time_point=7; lineage_2=15_C1-20_SI_allogenic_7days_170427_UKy_GCH_rep3; protocol.id=['mouse_tissue_collection', 'tissue_quench', 'frozen_tissue_grind']; lineage_3=15_C1-20_SI_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A; protocol.id=['polar_extraction', 'NMR_file_storage45']; replicate=1; replicate%type=analytical; type=cell_extract; weight=0.2063; weight%units=g; lineage_4=15_C1-20_SI_allogenic_7days_170427_UKy_GCH_rep3-protein; protein_weight=0.07598828829511124; protein_weight%units=mg; protocol.id=['protein_extraction']; RAW_FILE_NAME=15_C1-20_13C6-Glc_UKy_GCH_Ms_SmInt_PRESAT_01.fid/fid SUBJECT_SAMPLE_FACTORS - 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Treatment Protocol:naive lineage_1=01_A0_naive_0days_UKy_GCH_rep1; protocol.id=['naive']; replicate=1; species=Mus musculus; species_type=Mouse; taxonomy_id=10090; time_point=-; lineage_2=01_A0_SI_naive_0days_170427_UKy_GCH_rep1; protocol.id=['mouse_tissue_collection', 'tissue_quench', 'frozen_tissue_grind']; lineage_3=01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A; protocol.id=['polar_extraction', 'NMR_file_storage31']; replicate=1; replicate%type=analytical; type=cell_extract; weight=0.4062; weight%units=g; lineage_4=01_A0_SI_naive_0days_170427_UKy_GCH_rep1-protein; protein_weight=1.360284489372172; protein_weight%units=mg; protocol.id=['protein_extraction']; RAW_FILE_NAME=01_A0_13C6-Glc_UKy_GCH_Ms_SmInt_PRESAT_01.fid/fid SUBJECT_SAMPLE_FACTORS - 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Treatment Protocol:allogenic lineage_1=09_C2-0_allogenic_42days_UKy_GCH_rep1; protocol.id=['allogenic']; replicate=1; species=Mus musculus; species_type=Mouse; taxonomy_id=10090; time_point=42; lineage_2=09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1; protocol.id=['mouse_tissue_collection', 'tissue_quench', 'frozen_tissue_grind']; lineage_3=09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A; protocol.id=['polar_extraction', 'NMR_file_storage39']; replicate=1; replicate%type=analytical; type=cell_extract; weight=0.4195; weight%units=g; lineage_4=09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-protein; protein_weight=2.180889533694321; protein_weight%units=mg; protocol.id=['protein_extraction']; RAW_FILE_NAME=09_C2-0_13C6-Glc_UKy_GCH_Ms_SmInt_PRESAT_01.fid/fid SUBJECT_SAMPLE_FACTORS - 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Treatment Protocol:syngenic lineage_1=05_B1_syngenic_42days_UKy_GCH_rep2; protocol.id=['syngenic']; replicate=2; species=Mus musculus; species_type=Mouse; taxonomy_id=10090; time_point=42; lineage_2=05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2; protocol.id=['mouse_tissue_collection', 'tissue_quench', 'frozen_tissue_grind']; lineage_3=05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A; protocol.id=['polar_extraction', 'NMR_file_storage35']; replicate=1; replicate%type=analytical; type=cell_extract; weight=0.4121; weight%units=g; lineage_4=05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-protein; protein_weight=1.0010730956302694; protein_weight%units=mg; protocol.id=['protein_extraction']; RAW_FILE_NAME=05_B1_13C6-Glc_UKy_GCH_Ms_SmInt_PRESAT_01.fid/fid #COLLECTION CO:COLLECTION_SUMMARY Mouse is sacrificed and tissues are harvested. CO:COLLECTION_PROTOCOL_ID mouse_tissue_collection CO:SAMPLE_TYPE Multiple tissues #TREATMENT TR:TREATMENT_SUMMARY Mouse with allogenic bone marrow transplant. Fed with semi-liquid diet TR:TREATMENT_SUMMARY supplemented with fully labeled glucose for 24 hours before harvest. Mouse with TR:TREATMENT_SUMMARY no treatment. Fed with semi-liquid diet supplemented with fully labeled glucose TR:TREATMENT_SUMMARY for 24 hours before harvest. Mouse with syngenic bone marrow transplant. Fed TR:TREATMENT_SUMMARY with semi-liquid diet supplemented with fully labeled glucose for 24 hours TR:TREATMENT_SUMMARY before harvest. TR:TREATMENT_PROTOCOL_ID allogenic naive syngenic #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Polar extraction from homogenate, lypholized, and frozen. Frozen tissue is SP:SAMPLEPREP_SUMMARY ground in a SPEX grinder under liquid nitrogen to homogenize the sample. Protein SP:SAMPLEPREP_SUMMARY extraction and quantification. Tissue is frozen in liquid nitrogen to stop SP:SAMPLEPREP_SUMMARY metabolic processes. SP:SAMPLEPREP_PROTOCOL_ID polar_extraction; protein_extraction; frozen_tissue_grind; tissue_quench SP:SAMPLEPREP_PROTOCOL_FILENAME 4D_17Jun4_Fan_Prot_Quant.pdf; 4B_Extract_Polar_Lipid_Prot_Fan_070417.pdf #ANALYSIS AN:ANALYSIS_TYPE NMR #NMR NM:INSTRUMENT_NAME Agilent 600 NM:INSTRUMENT_TYPE Agilent 600 NM:NMR_EXPERIMENT_TYPE PRESAT (1H1D) NM:STANDARD_CONCENTRATION 0.5 mM NM:SPECTROMETER_FREQUENCY 600 MHz NM:NMR_PROBE cryogenic triple resonance HCN NM:NMR_SOLVENT D20 NM:NMR_TUBE_SIZE 1.7 mm NM:SHIMMING_METHOD gradient shimming NM:PULSE_SEQUENCE PRESAT NM:WATER_SUPPRESSION presaturation NM:CHEMICAL_SHIFT_REF_CPD DSS NM:TEMPERATURE 15 celsius NM:ACQUISITION_TIME 2 s NM:RELAXATION_DELAY 4 s NM:BASELINE_CORRECTION_METHOD Bernstein Polynomial #NMR_METABOLITE_DATA NMR_METABOLITE_DATA:UNITS normalized peak area NMR_METABOLITE_DATA_START Samples 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A 06_B2_SI_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A 15_C1-20_SI_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Factors Treatment Protocol:naive Treatment Protocol:allogenic Treatment Protocol:syngenic Treatment Protocol:allogenic Treatment Protocol:syngenic Treatment Protocol:naive Treatment Protocol:allogenic Treatment Protocol:allogenic Treatment Protocol:syngenic Treatment Protocol:syngenic Treatment Protocol:syngenic Treatment Protocol:allogenic Treatment Protocol:naive Treatment Protocol:allogenic Treatment Protocol:syngenic AXP-1' 13C-A_1 332.8463842692685 1521.155279991511 357.3408562413017 757.9882610548949 1524.370490381313 523.2751676625305 383.5467705299598 380.0474271413355 280.9938257057344 125.1475409464062 692.4441667183031 542.7048108033716 533.4028371638171 484.2808658748146 AXP-1' 13C-B_1 111.6335554415888 828.5713316708985 180.8539039096298 508.0016216599813 379.4677843277659 243.1705969810813 382.4019409630782 171.9441828279797 283.4617064439327 150.896071348472 158.6607629588007 185.5354651595918 212.8103549896317 394.1929282137384 AXP-1' 13C-B_2 114.7104614222404 906.8421348362915 149.1584265982831 329.9642524849088 241.3613088277361 210.6473068593213 137.8673040859297 197.3857523278418 187.1135218867348 AXP-1'_1 321.1513947301564 666.1506911667607 254.6819989381061 668.4968162440949 982.2815711807337 387.944128198099 268.122461953028 253.2707988635044 224.4921261664456 71.02551173584843 450.030513406771 13.83980776078808 423.0038532153936 431.1383824815078 351.295406794081 AXP-1'_2 366.0051528751601 721.6906526621125 393.1408359539325 786.7077614370843 1005.873347923941 438.4216286417574 641.0073282920912 517.5175705080659 365.0419047978877 141.5747413753953 577.1034468764967 25.16684446352167 540.3805500953207 498.1408273083129 401.8025606554253 AXP-2_1 466.2493115461584 1081.11589651952 490.4192085885441 1022.837325693529 1394.876180862589 552.5008335026123 488.3093476742828 553.8424222695639 449.1906357109241 174.7882958210598 768.0586011212134 35.15474846666224 642.7359812810383 668.7251696634877 579.3306073471147 AXP-2_2 228.8318708467198 AXP-8_1 28.50715770427296 163.0283458608329 132.9241454249935 38.73207078898186 33.45983770114256 31.51820676167107 383.1139956652351 253.6725012525133 124.0683132795541 60.05764571502192 58.16693138160651 58.79368063502761 54.88620892542377 91.75018404668809 Ace-2_1 133.9891116364937 259.2469859875319 298.0412255360664 208.1081891754475 440.7976012886434 285.4167984159406 144.7128920995001 139.8908165369268 232.0172190206783 81.60886273633133 186.983602742788 74.74983702117747 238.7525599203278 161.3404055574486 174.7532082068107 Ala-3_1 247.7582304965823 711.8045038904778 290.0051598814944 738.266253183485 1731.35691077683 382.9483829350632 265.6088691905265 292.0404393333333 698.4377569135712 97.14374668580835 530.2871405808968 21.33968530612905 1132.193194266023 347.6420850162887 433.281040270094 Ala-3_2 237.0636643757104 675.5304272970121 272.4875490880503 603.3126072701455 1692.276273236022 412.8330450488841 303.4543982250634 379.313377 694.1961882236832 87.22828845247595 498.2817443678063 22.08048753666473 1030.967958824438 306.9908759298588 454.0196451089247 Ala13C-A_1 78.70605910479185 314.9910678392956 96.30865161713967 61.52661411456992 117.8214240080794 155.2550014438937 40.93338464708255 58.35102051424769 43.21544905945513 35.57718544034591 49.15870400033422 16.10702909612002 135.5334620436228 42.48647916716129 106.2898841497038 Ala13C-A_2 189.6003904712653 652.7507768850613 192.3947494662752 118.1396898903923 207.4342577960887 282.1591215815603 127.5072604650272 162.0523941759034 99.68005007059435 78.34780917804481 178.03551088324 37.88786120035099 291.7717959641419 133.9905530675337 276.8725575934208 Ala13C-A_3 140.1226369445355 351.6914670445449 152.3211106791838 90.64811377117081 46.42824356916912 157.2243429118331 102.5423094218477 120.3771542037957 71.37753918467901 67.05970725567155 54.83441568926477 17.02352979773864 121.4245671831607 93.4819388723515 105.4164990671406 Ala13C-A_4 192.9516515548876 281.9785933722665 194.6916823444485 120.7176608261752 54.5938035735315 92.57982640586779 132.5861964667511 177.624115262068 77.58598795453698 65.8207755755969 81.98683610627806 8.91854107654983 112.2486796804124 120.5245499133417 134.4396561318275 Ala13C-A_5 67.63376430193135 665.2543253194409 82.54516410074027 35.08477246371356 213.9440496910868 228.4996656241675 33.1563808529882 62.6253770621366 31.43666361187299 31.94249757434384 154.6639066099084 253.5203605820321 30.66900451891996 235.6169444063775 Ala13C-A_6 278.5264809935151 80.72374696920942 81.99855840643913 38.94085508627298 90.40120553645558 89.70715006685555 Ala13C-B_1 75.14764581817805 269.1645149248755 79.83899125648504 32.97793225954501 80.46484224405447 110.8148137674097 40.21205975096623 59.68574137304356 28.92537420071488 34.87585460829118 46.02051178634462 23.96687978797499 105.6928161220105 32.29427246771863 81.88461193810444 Ala13C-B_2 217.9655168955903 694.1229398015101 224.6051017193463 128.379742022233 15.69067315633177 300.1190898586046 193.2896902268899 188.2042267144222 101.3087778298683 101.6558787231698 47.61503339312787 16.41019572886298 21.56635796700603 147.4646933491304 20.5485784161648 Ala13C-B_3 67.94975472937949 373.3980813555006 77.00030738623875 44.03326792047745 313.9783369092596 123.2703641404248 109.7235432171338 75.00094959020174 99.76133075961054 67.62964112203885 161.516171279959 19.32079481957723 309.0992237271774 77.5787103419856 249.313942455163 Ala13C-B_4 116.886636885107 363.6111504757025 171.3010283612339 87.993292460337 154.5782149688182 166.5818667331378 170.8810418448529 99.79143272864074 140.1830591381695 96.38312791825199 165.6131112797966 13.34339295852318 171.0265291925161 170.821912563661 128.8004660743284 Ala13C-B_5 212.6802464314233 799.0857394480322 262.9884125536685 198.5814954687955 237.0531373739812 423.1528975812421 54.5121989181283 224.2917781347795 61.79887599194737 50.4536528539226 203.4971296256756 11.69012368508227 176.6694742508627 60.11217962138334 170.3768189795678 Ala13C-B_6 82.79935484732759 329.5888082866753 132.8452213875138 55.87497492624152 482.9388106405132 190.528200060595 91.24420234459147 61.59647403668768 398.5505974397942 335.1663230281827 Ala13C-B_7 53.93683615675718 136.7390963242187 131.1251773375941 Ala13C-B_8 147.2245574304175 Asp-3a_1 257.4856433736164 711.3613917912729 312.7712132110002 506.0097845252822 842.6643852197246 679.5654061898376 246.2541544809713 474.104424641671 286.95703722197 177.112697938288 260.5774483805849 35.67630727210776 320.5855419563864 362.071520851275 476.0897698278773 Asp-3a_2 100.8738715523984 370.5292383944443 101.2914431414084 400.1216393248836 447.0777933254616 213.8312014229805 97.53026850534347 185.3301763225273 318.0262507576995 60.54915749519103 336.724447889287 18.882799 327.1415686755815 156.1943937363434 216.1709123710659 Asp-3a_3 226.0544767720646 952.6026148694276 311.0016762716934 632.8832136112285 789.6242358450905 493.6383588304976 177.7476707837085 398.9921790857848 597.48945846877 120.1195753231179 302.5223073491911 24.49799754489593 365.6544556681321 248.3477192386428 450.3152166397618 Asp-3a_4 106.4819947135935 820.8288510152506 162.3709335268106 458.2931519623599 666.726412347409 263.2435366255384 121.4780430928237 290.3560031640886 443.5392951186391 87.2790260890108 194.9762749780145 12.83152947944042 364.0561388324876 138.3758675176069 237.9787081351363 Asp-3b_1 247.8621783812896 635.7338750902055 238.5861655624905 640.4600447387983 933.0900846380977 492.7123162564657 143.8861184504421 414.4314664520646 667.9526752036967 115.8693642525436 252.5518624989449 31.56091714991586 548.7109239511118 173.8196903941255 306.3163729694251 Asp-3b_2 162.8259734016939 1172.072787351432 261.1884110704868 571.2640185013 746.1151854655769 327.9300182444194 205.3356992464409 467.6039174964189 452.0290418965155 117.645229625745 211.3195377886015 24.39118779870003 431.9181210270785 235.4781760086063 357.3557851564719 Asp-3b_3 123.2787017263424 587.2330144326019 123.0418855699286 396.1337302225061 575.4211114024451 247.7596168899651 129.5693499032405 250.577323919131 374.4298086727181 70.53564592544217 198.0552109812924 11.33189661135694 412.6093488959208 132.7374323780452 204.5839811337832 Asp-3b_4 90.74806219564742 612.1240241533296 129.8702151706341 345.9960938220379 497.369448459594 200.6249914941583 128.6920909644066 247.5941125691257 355.8710128559389 75.25326050052635 154.9816737415987 10.83666548162374 265.2190136742606 141.9361637380032 211.3790258794744 CXP-6_1 50.51289085414983 73.16637165607942 32.7433180784756 116.462028576344 165.8743825292909 59.50625259819672 69.81957080751482 39.53881665914047 35.76492728045503 11.392455 82.29455231273502 78.37021779417864 49.39839136967957 102.8932331764507 Creat_1 2110.680158264721 4935.167302674609 1841.174351531245 5164.668040969827 8683.4559137167 2419.474654799697 2640.403658595848 1922.151203264372 1564.630971990286 628.726988411014 4062.28549207985 207.6576656501259 2783.364511712964 2831.939998995029 2495.767841020239 Cys-3-GSH_1 195.2871720208145 460.3595679305365 184.6434635125555 297.3018816473715 667.110708977542 235.3252228522402 197.5238344968806 193.6289542798004 211.0219256203654 76.43874776942587 218.2022905869917 16.89883201549451 242.9692728559728 229.8053139086587 246.5031251440259 Cys-3-GSH_2 175.072089700773 328.3472954520727 116.7862066510925 267.4037560504917 472.2052360646142 175.2462208003205 186.3085351715851 139.1001045858851 160.7024116879973 47.30751812234222 208.9391946292231 10.6152907726535 191.5293158822872 193.0424995216888 198.6269740214056 Cys-3-GSH_3 194.4863494318343 415.1853297157388 136.5091088425935 314.7815339791552 598.5278028945427 196.2851992820687 183.7936948256711 161.8239522583553 188.5258197141579 56.29401079628232 241.7283181006688 15.50214980682607 242.5053431840982 201.1535875379024 225.0133757583462 Cys-3-GSH_4 183.2645738922915 344.9107467048925 106.2206889779002 250.8632377281762 502.6190715072005 175.4223933465485 147.7023213362178 136.5483991150778 149.9275610517436 48.04248710767823 178.4089523445829 13.45607525605719 167.9543490944351 176.5550812040528 180.8310854450612 DSS_1 2366.260186354189 2647.968904864223 2613.984885732832 2639.92710883861 2675.529786335212 2622.815768315858 2503.027369675615 2492.222546809297 2489.092622794253 2531.793213039617 2604.380331532196 2607.526222952057 2492.986609031143 2574.279229593792 2487.620410064139 For_1 137.2231720682567 168.3072052495354 130.4685825301793 149.3715346925636 177.0775788783292 195.6047110290687 166.593313216433 92.05481797704576 133.0803650639953 77.71000238386337 109.0493834037273 96.10720240863772 133.6608119633065 128.3558039568954 127.548946055206 Fum_1 8.457414460138615 15.06008621624314 10.67643723484845 21.86020867944503 59.52098402461328 19.3980614684614 7.467646949362525 9.646697734485645 32.72878200279878 10.53021723457014 26.8073688788392 53.90716955099486 9.775477725091157 20.52774194307024 GSH+GSSG-3_1 119.0625028088392 314.4066825446551 97.7700212311749 376.5821881430815 527.829682704025 170.5141105212253 214.1799008513155 152.3420900471991 184.2062817666404 41.086066 295.8702920105847 6.255210770318455 225.790586215685 144.3629519994845 176.8236522011713 GSH+GSSG-3_2 362.5948986721181 503.2175642017197 202.0387926702963 607.2437142415567 1273.554330016586 288.4969991244619 326.0834034122039 273.972643037884 386.584177699092 97.2088575 668.7821793623484 23.42199194392189 451.3458859729876 303.1789083070253 367.2505437203786 GSH+GSSG-3_3 397.9815206974056 414.0678899980276 227.5445915705388 515.1158657069726 522.0555669372806 266.2250506471426 289.2511788635172 223.7270321367313 247.8575414770748 84.3805635 683.79955639091 56.39006994542927 423.4032613603247 440.7686427323787 344.827340961391 GSH+GSSG-3_4 57.84124850934205 60.3298332810199 24.28898626308507 104.1484170051196 651.9010248767842 38.88289038762731 46.50399857645396 36.99574127219478 50.18239330140555 14.469375 49.69943699549466 6.255210770318455 54.86027073608275 41.99845661839709 50.351023080823 GSH+GSSG-3_5 61.81264538773705 166.3475110498075 GSH+GSSG-3_6 134.6278230294996 GSH+GSSG-4_1 29.09392616412844 38.09211502456154 16.86924617415571 46.83780299890032 103.3462875031866 26.33867642823371 23.18829769676222 14.43778123185429 26.03169680654927 5.859578557956358 38.55841800530019 9.772884136698668 32.22623816888389 24.19532648319624 32.08770468836564 GSH+GSSG-4_2 54.05432000558089 38.79169456802813 32.79898932803538 92.58461562647862 24.15827998039542 48.640487473297 46.27067780859611 37.09384521858971 51.99396468897215 13.97264481940378 72.72307789189294 5.924259796107572 63.88833865886988 54.11222381338928 57.08800017781478 GSH+GSSG-4_3 87.15397433872113 44.70037102837842 68.04032392479374 171.3115346286459 184.5781504261335 83.17923470546475 86.33525847706768 66.42888483157844 92.61811130872945 27.99348078727627 124.5362892516584 122.6897095527945 97.79263967352654 95.17773163709431 GSH+GSSG-4_4 71.48945745118289 109.1256412022352 39.44417742933925 126.9660469373172 299.2561046373713 57.45582578672987 66.47767992929334 48.66256360509114 66.25457463157358 23.28672098072215 75.31286293801563 84.28896491988812 68.92872579197554 65.8032963842304 GSH+GSSG-4_5 99.28557182490015 64.29479512221896 104.8688099937632 178.2311809226696 206.36855532902 105.2908719782933 109.5595989687315 92.77004964468772 131.0804774199944 37.27812854659188 131.9517324046336 180.0237892583942 126.6359295873919 138.4919579912382 GSH+GSSG-4_6 33.36126743650583 105.063002194512 26.02038304050686 72.49127986338627 310.1573525681355 34.73314713483249 36.70889810419208 26.70598612843874 50.15320849824033 13.30653550190415 42.70576813471785 51.79098147668009 39.05077848822724 44.99871064914763 GSH+GSSG-4_7 18.29304288166821 32.67181657439923 11.6817263354739 39.27847777374696 204.9234233436274 21.07792818135593 20.57602374270063 13.93127068102179 24.81797561254705 4.994552770741447 24.71937622769494 25.36350621135003 21.23141236817202 25.903121220637 GSH+GSSG-4_8 28.06642181435793 113.4222894657176 GSH+GSSG-4_9 5.849595679553136 79.59133392109294 GSSG-12_1 284.4991442372255 837.3870942547882 244.6826113522042 411.5878908195897 976.1361145875717 357.1549555133231 242.0635429703152 173.1998804908801 242.2740235260062 88.86664191633494 366.2705287341957 388.3965160529098 302.7072624162661 337.0546848631831 GSSG-12_2 284.4991442372255 837.3870942547882 201.1395916306209 412.2264915870712 739.695298210593 267.8768973607122 310.1531861807584 173.1998804908801 242.2740235260062 88.86664191633494 357.7944618823753 388.3965160529098 273.1980699312631 315.756448314322 GSSG-12_3 244.171509729889 588.9677750426848 138.770633126401 296.6473868358591 834.2584077276858 239.6992053187126 291.7527648596038 414.9162793674578 242.0576629477113 101.6372940887094 366.7764286485885 323.0946305754888 162.3626421073084 268.4932225409638 GSSG-12_4 244.171509729889 588.9677750426848 138.770633126401 296.6473868358591 840.9168222085502 239.6992053187126 291.7527648596038 414.9162793674578 242.0576629477113 101.6372940887094 366.7764286485885 281.7298574712407 162.3626421073084 268.4932225409638 GSSG-12_5 780.5237353459453 GXP-1'_1 34.04646830418096 96.35880664797816 28.35217676217848 68.25237186696585 84.14142095325032 40.30400674167914 37.01831815098681 54.37267881463568 40.34340474709496 14.81644124464555 54.47342976474686 48.17882277117205 47.40115231703729 38.35024935428112 GXP-1'_2 26.69008862246039 62.16486956015964 27.17669167079854 59.18242155849813 87.83495758016379 28.90398409940124 46.79511409106161 48.56965887588269 37.71489436153423 16.18463865023756 43.97000259983714 38.94555458570972 45.99398878781293 32.34063027954413 Gln+Glu-2_1 92.60875425682269 376.0889861024657 80.9131811059717 442.368456519627 685.2220291279206 103.4388153824265 202.8858595179018 172.976315031104 90.07061854574437 32.14206969442635 247.1503459338602 2.998194646526242 152.6116869199491 112.6171312583503 144.3661783042866 Gln+Glu-2_10 487.5741562295098 1124.93436297879 86.44045167890329 852.4870264909696 1702.757855926922 589.1669523487208 470.4609755982564 84.51543930576115 510.8676711364442 152.4661278093269 235.939880576588 172.5384951446975 200.808259783216 Gln+Glu-2_11 43.98779581103437 66.29262926358994 413.3070533549947 83.68505705760735 178.4325257336315 33.53409460950753 32.81132105567519 439.8195898613214 48.6808059445874 113.7664447679332 28.36424615621526 563.7089391345493 555.8548173813964 Gln+Glu-2_12 35.56930249563987 21.79525632871897 69.60576874413464 26.20590656727004 10.61006775236593 636.1134646038494 333.4614965362766 45.14758541443697 51.55165315153214 Gln+Glu-2_13 8.518514075789177 149.7566253946868 727.5600679483756 Gln+Glu-2_14 70.1452910126334 78.70874435371336 Gln+Glu-2_15 6.247866265365463 Gln+Glu-2_16 16.77638221726775 Gln+Glu-2_2 83.69823869524707 233.2115025391524 70.84186008249726 268.8138663987995 555.8979471448401 135.5937114479197 74.8509630258295 130.7363136626041 197.1063065234513 44.37071114741687 246.8953470776522 7.508572666056913 30.91032156497621 109.9145016176956 158.7327845587596 Gln+Glu-2_3 49.22948820720396 229.0025143414768 132.3527476656991 292.9873417699303 411.9324337119166 71.67268482020678 114.5651860896352 102.3847746496901 75.5403665209325 27.37893551253407 156.2672910147367 33.87576302091052 274.2200214769697 81.56369473276514 106.1982973445218 Gln+Glu-2_4 52.76004804169632 253.9814379921605 87.2411568721576 277.3590841486095 331.1467189798572 104.8080123446747 84.12257143195554 141.7064632830634 138.3724523069685 53.90240966860741 200.3360479075101 30.73894367917149 133.2255761185689 112.563624843011 133.6509029475668 Gln+Glu-2_5 96.51750488108992 509.9796811904421 180.9011756597578 462.562837759732 830.2625551365985 241.0585718071674 167.2833083146287 206.7598978994845 305.0023659084118 17.36647936911172 324.8024114517291 3.017410328018364 370.3162394737415 211.3591461403336 220.5754574547368 Gln+Glu-2_6 28.94892198841925 198.6543820620952 52.401548088567 128.9921404729241 235.4430786976537 84.8642576994704 57.71022026725431 68.47329990023 77.62262704173206 22.82966972082541 82.68282890952216 304.5549143252005 60.92015571603691 89.39500517223208 Gln+Glu-2_7 523.2607288728957 219.3113607261633 46.45303585576679 153.566513369205 297.310494043704 64.99330324144645 66.78973326137458 112.7170984277746 61.67069120910676 192.0687308416575 173.7702630239883 184.8394314992738 109.0639997459747 117.0381849339694 Gln+Glu-2_8 532.1236723119051 1379.218783047962 450.5968685080368 1598.292216366737 2678.355204185137 783.143114754012 612.2520311905317 467.1306380667204 968.0289563942348 32.83317085498246 698.0863443122008 315.731763491775 604.8145170157335 516.9090754953353 Gln+Glu-2_9 97.15885030863848 171.3349368027141 426.9528322243643 413.9951154712633 1036.271692387237 188.5322164149386 150.9868732913123 883.9494415099601 231.9839410849576 142.7632635745052 801.369600004347 504.846857387746 661.1310370052953 1122.802511534614 Gln-3_1 64.45096173025755 216.6712115484543 62.31063818923765 230.5696139825999 330.5304434281451 121.9523759180104 106.4692037073803 100.5290189849801 129.5976003760448 9.018404 195.3080865531831 174.8197464931749 100.5780544843137 145.9718023738832 Gln-3_2 206.1091050960364 72.831191704102 21.24091042250358 309.2721462583181 104.4116417936022 8.080127490272961 90.63640671469065 30.88547635591992 114.6464032390621 108.7759608593163 Gln-3_3 45.19625092903672 52.04612696752584 12.90462591780461 16.48303342565748 15.26137695909161 Gln-4_1 16.28468581866995 39.14620031713662 6.16649446626539 36.01195193798852 72.3536863437183 14.18293906191484 18.26319965812767 18.4041809818033 7.837582218590875 44.22188532401024 40.66974271012003 66.4704961873698 28.62170294754536 18.67551187702722 15.5968004141673 Gln-4_2 14.57727697406691 26.62472871397777 5.375967290781936 41.36773395870325 56.70865517270514 10.97121962589124 15.19050585691706 9.204853506762365 9.545607642340851 66.25126389156593 18.13868321103003 20.00101574756787 7.999689698336631 10.55345082827429 Gln-4_3 74.72204977765526 162.307846031985 151.6796873191755 22.91272937626077 48.8919269394415 17.86920299863168 19.69808539592868 12.69650313152059 76.17799537653335 26.00215709641263 13.33988468580515 13.01264081459712 11.9471400951434 Gln-4_4 127.6141415746972 278.9083670905423 259.3547783347295 245.8213799082609 318.9371958868999 170.9455910964639 152.6140175033803 168.2154617033093 121.8422993316896 132.8879691222881 183.9017123623136 116.1801094680116 158.1885836937799 Gln-4_5 52.52938906589009 178.5648016441095 225.34298861642 267.008649944996 227.144097148717 283.1752469491 170.6669888892017 274.9989063447394 146.4061126580276 275.7366410543786 Gln-4_6 319.3370715878928 97.18273228782132 50.91012642793144 14.20409860694936 13.00477973962909 19.26608781202145 Gln-4_7 1031.17896648433 52.22021830580555 44.21559530857908 Gln-4_8 8.148729306127299 Glu-3-a_1 513.0513446121181 225.8334447338304 253.9664049101951 70.39515899346301 3053.362068859082 13313.37962705943 1529.791283441362 243.2152410520381 1016.505537115507 81.37888262111827 2695.767340411403 277.7696994796916 620.4184388863795 1874.132979615556 1204.155570902867 Glu-3-a_10 338.7502650912709 253.5615627425058 597.0031686891685 235.3801543594347 161.2851729403576 160.7080254193446 Glu-3-a_11 702.3673967401244 392.3142899814857 1129.246413211322 274.465714722898 2.238709324247047 Glu-3-a_12 72.08502257969889 417.3556081268189 Glu-3-a_13 130.6230548922913 479.2024169696264 Glu-3-a_14 189.7415718212966 179.2434734013189 Glu-3-a_2 46.56477394413778 602.2681537900319 2457.256036332661 1126.17439489703 1594.004138546732 455.614282400881 2660.582014172311 1798.578168277799 1388.763756817702 856.4701813302802 500.1137849786211 51.38599002061256 4339.851488093318 3795.161638314986 54.36929223943658 Glu-3-a_3 1086.047681068456 59.83329125841095 574.6675353375858 19576.78681805338 189.1401397889098 638.9235823067077 913.6342449300217 681.6760424504076 9421.728224723658 248.8218151798191 2730.000572668477 130.7194758541965 1321.186768769863 1032.133853978612 4020.510355620381 Glu-3-a_4 311.6512874406907 2049.649943374637 632.297830913586 982.9971077233347 2618.588895810361 425.5214737586625 1022.971129521507 920.3028194498154 876.3047172683083 314.0716805819704 1229.528331211104 53.32069146858655 1828.927797355387 1165.544183730609 1084.098569901868 Glu-3-a_5 409.5951962788287 67.16459259586959 386.6064224728167 1180.662479161638 1146.923074260936 233.4124939701408 701.2332848019898 150.3375798170539 675.0735033973598 199.5996717650256 1084.02178829079 301.7405335590394 186.858862711773 467.0141485541834 Glu-3-a_6 52.95227459679648 155.7494924722745 97.47701788762284 433.0408502703735 1948.364419926471 453.6530601398398 79.83455936910138 319.8152387170341 276.7111547815745 511.9628158883318 601.6925939451922 325.6158467668629 1351.285407071957 Glu-3-a_7 17.14186138635597 2352.294901634229 363.3794718877887 3483.805163066701 163.6101396336028 105.6674674838834 180.6777353109114 294.6644328300874 116.5756483193295 101.385784935371 167.8795138629474 Glu-3-a_8 1332.896685855224 903.8088805584373 1910.862822615539 167.2398400400056 523.8080193532742 675.8889479391164 199.1064424247299 182.4940867150029 413.0187303011612 Glu-3-a_9 267.7440880295866 193.4794852625669 1005.274076599284 92.57962974287803 103.3850218584856 83.8696168594321 192.1379405307957 197.468839512491 Glu-3-b_1 68.19663823453473 107.4549818232028 36.96345130767941 283.4014219965314 396.1905203127236 74.24980042629308 105.2936161434078 95.15017715809925 117.898274169063 27.276214 152.0732249261316 106.8309176773208 137.7963050881964 106.5663355218505 Glu-3-b_2 30.99866011765715 228.4197906749521 116.3927103893606 278.6537010996598 101.3066801297421 135.8330623705882 43.50433724985852 80.59561414553713 128.8188140974402 26.452534 217.0717394367965 258.145899277596 73.48280573235641 125.1147860832335 Glu-3-b_3 92.80885075178303 558.8453808610823 306.585153692251 374.5254029429252 788.7507099209118 288.8284735557758 148.8162315502445 235.7073926267206 310.255906778892 49.049399 237.5954689151598 279.1013722499723 180.5378024326623 240.7334090711564 Glu-3-b_4 114.2675589050738 820.6257503532355 248.8817946313931 270.6150806182794 485.8172090575703 467.1419365618027 335.7713139153892 448.8023312856534 567.0530419299561 63.795161 151.1393298561503 125.2171955494987 280.8661171740671 535.3973101046214 Glu-3-b_5 43.18890884832202 333.4644372985691 76.53178048278637 338.5838406213984 430.2789475516469 91.49754575182855 86.97478647243167 131.6981570927174 115.8662220426371 19.743579 248.7584707158524 418.6000883687589 79.90826008203359 97.9885622822032 Glu-3-b_6 452.5977517628673 590.2268741088787 173.4454573808528 178.8790764667684 292.7051171615217 171.2134098219715 195.6037795987324 Glu-3-b_7 353.5139137032708 413.8486380207721 262.9014622007307 205.3124090343296 Glu-3-b_8 398.4366110727424 457.5049332545917 197.6866873751874 Glu-4_1 87.50448490120593 540.6317485123835 139.8922664325655 477.5072914232599 837.0271626015616 193.4892901317032 184.9589710214753 197.9275979012776 281.6874055588657 419.2547424887057 84.88950464605549 348.1947186687067 233.3093204758572 172.9031875410407 Glu-4_10 135.2902127660439 122.5706130695064 134.2251769491722 194.4515721389487 231.0923088194221 137.9239987641077 137.5512855150348 Glu-4_2 60.79639793717099 90.29122878113628 122.5219261973939 65.18909300316446 850.5766373698407 68.78746637231991 41.94165518104203 42.59550645122534 65.66559046185697 415.3319277492824 51.19997095335474 121.2548214916593 49.10191223194224 69.77368650147392 Glu-4_3 69.66072197792948 577.2195045051832 127.3718025156712 565.4667535001613 638.2209137830624 210.1076538486565 229.2123352336258 201.7764853770915 229.4678122198623 355.926653302608 5.545155886078061 299.5986071186901 198.896420619606 185.7962653859588 Glu-4_4 77.8746000382539 473.5974403728978 137.7300004125184 470.0078661737792 770.2629493065092 205.7467704021744 173.9655460518786 168.3796333437265 216.1987043322445 374.9668651448805 284.3392064339574 237.4027923407287 181.0015188771439 Glu-4_5 65.75728551504581 418.1924125715623 150.6894046534047 508.147574990942 694.1757124180916 185.5926363668295 205.3381758719735 221.190242987342 320.117904290477 411.2946514700249 286.1172152620077 317.0218555475958 215.2070740851855 Glu-4_6 125.8805946778454 761.2858086695328 133.3883393656715 518.8210256667601 691.6962664198364 294.581211459917 310.7134651274008 274.5796005373143 233.1367352029903 377.8787938772772 443.9123051995024 232.4371607159435 299.3472059884656 Glu-4_7 67.9564031402705 464.4848666162753 90.77316415870169 488.6582935686901 616.0907719381571 214.3283209018977 230.9489839048107 254.993326250779 324.0790110427131 278.4383546251444 374.2479909709157 262.1082546976108 259.4580793907152 Glu-4_8 63.39155842347697 344.8897130173542 89.29202186303144 383.0342338264141 652.7395091686095 133.5363295204433 131.2832486167126 135.036123102287 193.4152101014053 25.46330850166957 213.3338388562846 157.1813313568266 140.1466677063473 Glu-4_9 243.9712209254757 446.8519158765542 34.22766120475573 22.50812402844184 32.95277881761324 51.13050497938222 266.6571888227743 83.77540790748003 24.32848616719185 42.57733681539699 Gly_1 745.2949010839048 2592.7958158027 888.67312742324 1827.754274725493 3399.141745404582 1451.026913800935 1068.820989096077 810.5159743488807 1140.989221943897 322.4262826555192 1565.334245907035 79.56129606307296 2215.768585056379 709.3406695869144 1269.815415442523 Glycogen_1 25.60830261618475 30.799555 61.90004730155885 181.0840638672025 56.27448604307241 72.52886333073108 25.75604456363661 43.24684414151697 121.7266549099416 64.7352708051269 62.16733723997257 Glycogen_2 6.474141 212.4228249727294 Glycogen_3 73.70533679403597 Ile_1 27.56941659959145 176.7464773872584 85.90306557432281 103.7509905739631 203.4344553622903 123.5946753764039 39.34867772632735 44.35995093288901 104.3264658788412 39.2653041831928 67.45479483807134 4.456232566502708 120.4525186119167 57.45799934715006 69.87103569415694 Ile_2 28.65788103258867 184.1190953057837 104.7411974806897 100.3235377609617 220.5673338301758 194.216918736358 46.66598741868469 53.13362711918517 109.3318786660403 40.47037575336105 68.47366728013328 6.855864204004102 130.0992515827603 63.41649301270087 84.72499159692508 Inosine-1'_1 204.2981891564212 210.8998352384179 152.9738077152195 495.8750017033668 1027.191077734667 292.1746594815662 159.0091032966522 50.15660342718029 137.4146706673821 27.89892375832057 515.5985041345675 322.7629078801147 209.3746359495561 276.1579601202661 Inosine-1'_2 214.8656994709108 254.9307681704958 163.0782698415582 493.3644594259981 1041.531442687834 274.9603537922917 160.9852798060102 67.18246699931035 137.9087827523374 31.14000151394223 526.5802449683038 321.6050967069826 203.7358090530891 284.1157583672315 Itaconate-5a_1 160.341829 91.86948580415641 22.57289958531872 74.97751935763388 31.48842594205954 26.57106971423026 213.1532124928898 38.03558304447714 44.61049686288319 Lac-2 13C-B_1 172.3887191842262 469.6269495010922 201.327594905261 152.7366510745188 74.90612187511122 253.5968036594896 118.3634315039041 118.1729844772637 29.44407028665438 22.65168599160508 202.9719398489581 51.59622486955903 265.0875607573174 143.8866682054339 182.8132524054329 Lac-2 13C-B_2 470.333563652394 1268.793692141149 519.5284150160255 685.5026179866338 345.9626045837655 640.5652001051903 425.2038872835655 347.9501724569419 190.2503224084567 35.66886828018848 636.4718641160558 42.74596725449273 1154.984010197132 445.1081973285457 512.8374268667516 Lac-2 13C-B_3 515.1761915280503 1418.522223183282 619.5311097159785 585.6959881659961 842.9718194104955 803.5257889672785 387.8600955242354 380.4073025785327 271.6558826678179 70.9738323755028 1061.112714377467 35.77282434579975 801.8756486179137 672.0890812116418 581.7259952996578 Lac-2 13C-B_4 472.8819390748128 1648.98192705029 498.5687375032444 81.7713636728295 611.9395914133321 701.6276631297347 428.9364579563297 370.2426007348895 120.8068614584273 152.303239063116 87.75938699172409 56.72651638441905 209.6619671327449 444.177447939474 546.7281444452242 Lac-2 13C-B_5 423.8236440906088 1940.382373021185 503.6562871735532 511.0586090442241 979.1959634558933 919.7190656398014 360.6259755466948 352.317974402893 548.4289355460995 192.089498623643 542.6958104320903 575.509312424434 598.7304008857851 695.513291349889 Lac-2 13C-B_6 460.3657483172453 1272.543409334013 550.969110523081 1273.3330517218 1301.197768622225 614.8662377545197 551.3991950453084 755.6652308890306 339.8545050417296 166.6233324381375 1064.738749715067 693.0176948623103 446.8826986788286 622.9983734186683 Lac-2 13C-B_7 733.8318795412446 401.5309738216081 2044.887672263898 325.8890366320544 213.096951403823 192.2295485542924 793.7354820919547 478.5844125561093 218.1398376965154 215.8317825586839 Lac-2 13C-B_8 217.5477434600611 1281.2228095775 239.1406712292778 338.9960642414142 740.5914844683928 Lac-2 13C-B_9 839.9693323165633 40.80595759421665 309.9698051109622 Lac-2_1 110.609368176818 144.6436110121081 93.29366359935901 352.6372196223846 796.4215444106625 156.3546423698108 159.2645580154505 124.6011282916934 192.5311070891219 37.36034491131198 296.6341401871327 7.666358869535381 390.1893156422411 190.365387787585 199.8551966921887 Lac-2_2 325.9653839299541 556.7446854026255 292.5600473521883 1074.664484133013 2408.368171599193 573.1960456689366 474.8726988837787 352.9972308023941 726.0823359436052 138.5512090938876 868.7418308306528 38.11094679161001 1373.430878501274 612.0800550977536 638.8292115190915 Lac-2_3 708.7807956597479 1322.359394740582 539.6528481309033 1892.629626530997 3643.911569724989 786.0876852317191 918.0532840290354 661.0317931174543 863.7623477435347 221.1507454808719 1594.849616389715 67.26267918871388 1693.54677985317 1208.244213467958 596.2640685382866 Lac-2_4 224.2533434088062 966.09028237835 245.7929321942605 786.18381830581 1320.8087460754 405.5071944869617 349.7188570484877 237.4398359739785 336.3554413711918 97.82956162934185 562.1884026746444 28.918187384069 691.5459234254187 393.702081638882 375.327326548552 Lac-3_1 1067.169550490235 1885.219387872966 1041.014007516307 2833.683286461697 6742.514137990325 1609.439190003407 1487.708741950903 1143.10666612807 1545.966412311323 319.4309904423002 2141.560870954125 107.0075916359794 3240.710903414797 1748.573962418542 1359.955842331605 Lac-3_2 1032.394775255827 1839.997916023771 1031.369155303081 3106.115809561728 6522.763767422116 1563.785138529467 1477.479029738022 35.24230537977574 1515.235701963709 313.230189106802 2411.362535173432 106.198404589198 3038.339644322354 1697.140897005205 1332.604665514656 Lac-3_3 1042.81205357991 Lac13C-A_1 313.3832730594443 1120.24594850312 778.409099831504 574.5928170620365 988.9828759666854 617.2899353881924 365.968471121854 364.3869397344726 119.1794419322135 139.0124424560097 470.8813190377458 37.64465855131558 500.1537734246188 432.4987413523039 509.9010746889504 Lac13C-A_2 355.343972441668 2436.872582252833 1106.320039968946 133.9097373743272 443.8333079857362 1400.352449158859 260.5906229248422 799.9506972131588 377.2144906478165 385.2765829434192 176.6861644509174 92.85843736936751 313.7126842496714 327.9378535750785 194.635328966593 Lac13C-A_3 877.3698684891436 1187.419735733751 578.5765430436862 1257.031065973898 2686.99206946864 531.3530567700611 1048.253854718905 355.2821251491559 512.2999606042989 132.7332958833987 1148.9232031279 37.27277497148382 1240.351307561876 1344.161287993794 1313.122701064558 Lac13C-A_4 361.3174890454879 1034.688192220761 608.8697183187315 591.0962353940059 920.3970662872101 639.5729360900821 344.3423261833438 397.34210817761 125.5241840051955 195.5510915041348 445.0928214676171 49.22731853081172 528.3663483183497 300.4640793817345 430.9206866089064 Lac13C-A_5 498.1887429850847 2229.311645000499 1073.093197181913 601.0270661636572 1172.540211679038 1153.205893365684 740.9716731497833 787.3708399908173 390.6981804936208 359.0952409921143 678.39155489595 80.01118526542798 781.5768345436718 680.2639523896412 734.7097039777856 Lac13C-A_6 898.9548140114161 1023.543800510878 482.5172814697634 1303.788631432628 2360.7963993977 402.1198386270572 928.3866013811262 344.0560991226835 585.3621092907359 138.6517127840594 1099.800528100567 38.99778738635339 1123.091733385646 1226.49455978101 1206.304186839468 Lac13C-A_7 381.8418368219643 92.78785806053266 127.4895750238429 57.58138692977534 166.7766886039762 80.78175037084553 70.95299142213868 375.2848402225868 474.8384527519472 Lac13C-A_8 465.4837445276949 763.7546430978199 385.8032336997709 442.2324413272082 456.6158054809591 Lac13C-B_1 350.6811032535483 979.4259032806158 487.7833373532193 372.354074362458 813.2041667412414 524.423930924656 339.8711980148844 325.3295223870303 123.996539500189 124.2386576431836 373.4686754927825 44.08574753470824 481.2672782672283 335.330071525827 399.7137518874559 Lac13C-B_2 823.5819427769942 2048.342721111749 1056.115021154131 80.6396441985756 114.0513859912002 1061.944337536851 82.42557074376785 736.8233178477591 295.1389670585589 275.3951015478675 78.16151757267889 89.78605703217461 1028.681594602703 71.93124050216217 1129.818942513138 Lac13C-B_3 356.3225662706357 1050.924102586179 462.5211915473547 1015.629915551929 1917.472079023699 516.3490179365186 870.9319732795537 303.9808055925992 160.8410544255617 118.4598286818011 992.0758536190075 36.92369489617217 490.77736152509 862.5262983252238 460.6506212935122 Lac13C-B_4 384.6390881232869 1033.595698896556 510.2847485030879 506.6126948427257 865.9063909488476 538.3071082659392 418.2685830103862 338.154256222069 129.7518082647767 139.6786770607911 486.343368289745 40.26411311706446 500.7943742055747 396.2123166663496 491.5956967882207 Lac13C-B_5 828.6516503364168 1949.738508749501 968.0560268590312 473.9637496533344 901.5964508120909 1014.632310887062 435.2106275702442 685.8208041750432 348.5022419126635 272.289050467638 438.1760733300648 84.52360717889776 926.4271470717046 414.9766871752694 1073.324244637839 Lac13C-B_6 347.2896260831783 904.2601312177352 459.6385664736022 1009.836969368031 1786.060963732866 453.9028527222895 892.3416302892323 305.7694679150709 119.5879470743039 118.9156982484744 1059.07492925513 37.85136252774909 45.21387045942362 940.0844130510449 60.37386448217635 Lac13C-B_7 86.30183674847751 112.151063600003 55.73750066632284 83.25007048922494 410.3948479367387 323.6820610733621 396.8687756980944 Lac13C-B_8 393.6020243253275 707.2135517473425 324.0367837552508 359.9675492616824 Me-His A_1 72.59498485083395 227.6562231725888 129.9429025035347 135.1279835634877 230.0584766478427 161.9699391786448 61.71277844629827 85.54584226075066 144.9961705380281 45.61784871189058 125.6431666928347 8.922207370511712 212.4231739420365 108.4118979252511 129.9234722426009 Me-His B_1 31.74210698167882 141.7803997739243 83.06452879526103 62.62717891767265 99.53863373979478 116.4023626829783 36.47688637886164 34.47642089227659 75.90154606871268 29.11562399994664 41.06011577045518 3.071459262060756 96.12089112236094 50.27645854469496 57.72502100616943 Me-His B_2 50.9552556016869 43.74545455131614 Met-CH3_1 74.01220081151364 238.596832727587 118.3941457576617 205.0114612233101 301.7684602502131 171.3024054249924 99.30370114426995 88.90044364573764 95.46852158262102 36.596679 163.9128952779596 4.657378220383373 156.0880192388248 68.48552673962543 77.5776770480991 NAD+-A1'_1 45.13711793207874 45.69204400484092 32.82496786571433 90.21496142627232 116.0806800876513 43.48168699009399 65.26128876214472 26.92308551849882 30.78526402998076 4.442277468347705 62.95840544481126 56.33801269541539 37.08178214031455 65.99084931212923 NAD+-A1'_2 34.40431379052983 38.55608843387463 24.90341302308623 73.31095389321615 95.60222217880856 38.90940498371786 36.36916697435097 17.14310526767605 22.43723601850333 1.166234119763996 49.91370534265219 52.2463573080377 27.15418375823706 59.43134806266406 NAD+-N1' 13C-B_1 133.3399414355718 697.8669421271524 186.7919513577401 395.0268179929952 500.8088275227388 197.5902474833249 137.7728214495835 196.2422830177904 193.0647429682765 250.8943790475741 381.8988606665594 NAD+-N1' 13C-B_2 24.72526785513746 219.3004246068286 65.27201551535735 25.5372059645126 96.6648803883189 55.06603833949784 NAD+-N1'_1 32.87911289043473 127.1607697531462 33.76291663225272 97.36854484650206 130.8498601808606 15.64526157640611 38.81753756600705 38.49247691011176 28.76976182841976 3.42321852036146 19.54463162684536 64.23864515173045 42.7762364251169 55.77122567805509 NAD+-N1'_2 39.42138760478581 42.69806305081182 43.34575314049756 81.85089285971179 94.42072689618709 42.07915409658993 43.87064550322115 34.35786541830933 38.29724717931256 5.396602795741534 41.05538850180226 66.11001137410685 35.46796066875267 51.75214381200521 NAD-N2_1 145.5956002113539 269.8151900490206 109.5531898334416 275.5159323990868 423.4588207677506 145.910846118819 180.6470841230377 120.4443908053322 94.67397525123073 17.74664296991551 201.7843967397506 1.336190214258345 207.0743240051901 134.12548245893 237.0035442783762 NAD-N6_1 65.06488953868873 144.8152396610564 25.47805034140189 157.3781631076003 229.4784567560014 98.55963049755937 100.092123656846 66.19155605269842 45.42210300728995 3.961741681023178 99.7086017447546 0.7193434636572772 118.9412280079324 70.32558573835556 126.430195105297 NAD-N6_2 46.24935858767856 133.4537740422811 42.73965862625543 146.767550226297 199.581401593771 66.12821656337343 87.15001411431376 62.38160897908117 51.98746631408005 2.349236441182105 94.97884562205668 92.32975007751352 51.43895453616037 115.1709785309972 NADP-N6_1 0.195105597222805 Nicotin-2_1 53.96964006716322 156.6947782054693 71.66005972921405 93.98332717576895 102.3837773737747 72.80213056778058 50.31118626853755 64.01766687719437 59.12764711211317 6.014906 107.4880574849267 76.66537324687592 85.22731290597442 38.91869938551116 Nicotin-2_2 96.71771918054239 3.014938 Nicotin-5_1 24.47989985138499 61.31304241990731 16.05672491274941 36.81446821628367 73.99225157212888 37.70458928713192 29.03558653973324 12.3312246071721 21.30055148599562 4.569577739664128 30.67016412345205 9.168292708554045 28.17423099836677 35.2777571956056 35.48564959040749 Nicotin-5_2 18.95019653662239 62.47434412628523 33.58154783241996 39.26289102358248 68.4001751934081 32.2068522068969 19.44457355949541 22.49806538522827 18.17736416211217 12.19905762246059 35.5379018359096 1.566793910281318 28.41854207395232 28.36191630428791 7.81610534230542 Nicotin-5_3 19.17852482041198 65.90006033390594 20.91512660576426 43.19258233295884 81.62507516306277 31.49071452769584 23.74966440814616 19.31659369074121 25.58178324004816 2.64204821426182 39.28463133118833 1.662438054842031 27.96799786962186 34.7960310839957 16.66147368378753 Nicotin-5_4 29.01318734891965 68.82893665088173 36.43230387505621 60.08826295688434 34.35624088226038 31.19849498229676 15.63769294949304 23.08452451060783 7.647169548707868 33.21206793562564 26.6099226976188 48.09209567383206 18.62216529573818 Nicotin-6_1 23.95982657032084 88.98467787170082 42.66295782688395 65.18557367773288 71.1067459925011 52.6937616199663 30.2819183291213 52.11972781219788 46.39674357175966 2.460843 60.97482514371212 49.0146883355709 42.59347644902309 24.75850037842516 Nicotin-6_2 31.30964716374736 44.00108061242843 33.3285963543589 60.39614384232138 61.80856275575145 60.60688782541912 25.56596885782897 21.22859047641925 21.19192303024143 6.946088 56.12978592764939 58.34967595417448 45.47270209726112 24.16982963862244 Nicotin-6_3 73.35315743869282 54.28607874921605 Nicotin-6_4 44.18058288251594 69.6739767756049 P-Cho A_1 817.2137623432134 3348.143930240373 1057.257490833924 2193.306320633987 5096.591438829297 1426.550330253903 1252.655550469196 1162.725298334548 794.1570804727913 337.3469796528768 1732.001956183915 132.9683838067508 1373.617719132516 1410.403192779654 1052.097284889408 P-Cho A_2 1356.137125229303 3266.206627493199 1085.207218789962 1916.67756281476 6440.036669689515 2059.927307988315 1462.446059380466 1207.099134453774 1280.0109978825 478.9530881218437 2933.876125963396 137.2793135023275 1652.260726682343 2313.935256363758 1931.44153649027 P-Cho B_1 52.1328412771263 26.93646460331815 80.33685939716304 34.0367641454804 157.6358513806509 47.42820305512404 33.05828959412887 24.91460137008876 17.95312929007424 357.5664901878807 31.75891419378808 99.07143388519955 86.07314330774663 55.50184247723847 47.04400291222802 P-Cho B_2 765.0662903687967 92.5221114580877 460.1610336702071 88.62053910412156 237.4260395556099 144.2037963198513 104.3826778561757 80.56856571776385 60.00211256344384 68.42194016654466 155.6384677572763 170.5359950036209 114.3089642946174 P-Cho B_3 23.20062745964697 131.0581875740583 233.7369593287264 266.2286270547183 650.2101222176145 194.7180636032309 50.41817365895997 527.4835597013346 17.99648329300197 205.4175194750834 171.2766874376336 212.8918221499603 167.4025943722443 P-Cho B_4 66.00925183909813 380.616502414983 306.1784596809768 911.8309276083387 234.9809543403255 471.4072805876137 61.59877141632207 503.805018754192 191.3303417988831 433.836438299341 225.3645823566818 188.9193731730233 P-Cho B_5 438.2758863892429 318.9607187441047 917.3190041949183 149.7397219887519 83.67985901978918 104.7152528516392 169.4839127848094 429.2408111447062 110.6118708298089 184.2792196720461 170.5206585187336 P-Cho B_6 627.1695238922063 306.5181626671737 609.90322771517 212.5446000075282 92.31946264608611 184.2871464784318 224.3785494347038 198.3131837975514 198.2780677486368 P-Cho B_7 449.7396924242088 319.1268542726552 822.0704961795742 11.88136896505941 260.966799912593 10.09856402214694 13.06816802836141 P-Cho B_8 472.8907052563161 55.7331350862565 129.9663250771748 33.15270368403641 P-Cho B_9 91.055566396137 Phe-2,6_1 32.60061996949841 127.3453728891725 80.52510258701547 85.64390072707296 239.4374032068501 137.5480008616121 34.03874465373348 34.79844864826797 79.68025049710148 25.8009492086248 61.07038361677465 7.916294332954288 143.8080467745156 53.63428128870377 66.5907770577998 Phe-2,6_2 18.61723910882061 106.8352940909633 42.46029756572845 67.61938206181216 129.3170560663066 80.72497232708362 25.78972857414038 24.86865993082434 50.13248267845718 14.47005800384586 21.72527915908832 8.330305963705115 72.94849164210868 53.70232445976124 30.81807129417892 Phe-2,6_3 100.8108331565646 Phe-3,5_1 13.09594351891831 93.67478548554172 41.43404623841764 60.99779271509205 127.4565499982315 59.01387299533629 18.35375059651232 25.38299926049929 35.55259045893024 9.806963615389243 35.38931442305782 10.3684352276775 79.96088879688702 29.05791824864666 41.72259622459988 Phe-3,5_2 19.98902111432887 115.1039178733124 58.33952077499736 68.01456171780576 168.6341580422715 78.71715214204056 32.58002249783971 37.78335173194205 54.57570113716053 14.78488281476418 46.03533242600497 5.377046748178673 87.12949783576866 41.62141756172858 49.6196009005169 Phe-3,5_3 16.10066234964769 42.52773125792017 18.60105219479967 19.94881310696783 54.79463789682637 29.42897089169018 14.25062735884082 12.83042035041609 18.32663738875554 2.50594483199709 16.8533750942372 3.282525844438318 38.90076667362569 14.19860474633845 15.95605530966402 Succinate-2,3_1 255.2795250082977 384.2600290924613 233.7727617625339 573.0234816831996 1435.081425960708 364.5092586786192 251.7040350936406 265.005688099386 409.4828678507894 93.35872093634433 695.7301914305992 15.18929800330819 587.778772492465 337.3614996482627 464.057150683664 Tau-1 (SCH2)_1 2082.253502489293 8010.462765649198 2736.431978087078 6343.52196001929 10040.62397171683 4052.697816329374 3025.16173076824 2584.377517461398 2180.146239097863 783.8901829105752 4794.729594419206 234.8672108043168 3541.359808911429 3841.836555098077 3279.380556997319 Tau-1 (SCH2)_2 4780.952499035923 17721.3804742453 6273.646860002133 14814.19262533984 21941.99330698255 8526.655301308925 6607.167088343096 6019.951431523421 4857.645847993326 1866.370873061389 10976.75374045035 581.7546777153618 8720.524637216777 8330.74312119161 8144.243457552532 Tau-1 (SCH2)_3 3192.81008089137 10707.30042565182 3944.394223537977 8662.17276655001 13908.48364580934 4862.834526164111 4217.994981422135 3683.569882796309 3114.285222339896 1142.323654086854 7307.947881416905 359.2079887655312 4818.036149077599 4810.869109098965 5034.55489803174 Tau-2 (NCH2)_1 2778.756481741587 10165.16649991244 3399.70247712178 8238.3941276186 12374.99734041541 4884.856411142546 3820.520242017534 3285.629862001283 3018.117302130901 1085.803448615376 6283.915081570268 310.001014760027 4983.916085344414 4615.523274148415 4739.785526107226 Tau-2 (NCH2)_2 5014.125970255045 16655.87601974166 5900.360317765186 14379.4410328175 21760.15542744753 8359.52499098916 6591.435712224281 5768.674749395069 5177.72709340917 1877.464870220417 10908.02736963274 541.9942028677451 8594.437596189668 8201.646819901138 8277.070186266714 Tau-2 (NCH2)_3 2175.455810426581 6965.52270387507 2629.121146996492 6149.000129718598 9093.583134396356 3437.947763550031 2863.535204106375 2609.403072048071 2243.042888042454 818.29507271883 4905.638863819427 235.2748218365327 3553.540266835746 3408.989486257465 3609.767436663253 Tris_1 1635.572296046133 1551.860462447179 2290.682502290306 1412.19973528543 1802.152399718969 1953.175215311511 973.8562946190642 926.0555576339301 1398.380742866658 497.61727372674 2036.956404876601 910.8886503014677 3484.33590485736 1649.832291080301 1500.886325522451 Trp-4_1 22.95101041038916 121.1651654714041 52.02243845757776 71.79576934296843 63.80598954751783 73.58006592030448 33.69761748769136 27.67814039789347 43.16585975838262 8.915030523347331 48.43253554010047 6.54292520169512 71.23059158251883 31.58677881571813 41.3169948807587 Trp-4_2 25.2668234959492 86.54555895342679 43.17935668186146 72.64686347205448 63.90441137891679 66.50733182358299 34.02717803451653 37.63403140798537 40.90964719639691 3.764791757961189 50.97995926473332 3.612069373192787 71.26183141519729 43.58300551390961 37.3247672271826 Tyr-2,6_1 22.83086423842452 90.2778478491319 72.15624772487372 84.123585468248 172.5690872838752 101.6922729036818 41.83511109275965 27.84343584540871 70.38113255041173 23.4896079831532 52.15611781781316 11.34055680072271 104.3436431281535 54.51860079848723 47.65585671385903 Tyr-2,6_2 25.18090347906177 87.61720114096067 67.62098534039582 82.13900671198452 124.9659514658511 96.44585433222785 36.99827256468006 27.57211506334621 68.15234174306049 30.50103704883864 55.05309127004517 6.796992602914844 98.78258544689456 46.71635472382257 47.20910870239587 Tyr-3,5_1 17.29424009324197 77.7417732583159 50.76762793627219 69.12926495885122 147.919080272508 69.55714903315636 32.17325267527912 24.49840381033131 52.4891324207367 18.50605615994921 43.00274825223823 67.86685110711721 46.1012528589602 33.7838893646359 Tyr-3,5_2 20.84643777888423 78.27333275321375 56.13707396792269 74.78233077885538 136.3794436729449 70.93627360364536 35.76934445198258 24.59762179185418 60.3195415591935 19.78435882614404 46.38537002465382 70.70990182211116 48.74357243738174 39.24288655256844 UXP-1'_1 130.51896297081 445.9326955700495 116.3718406323871 287.6396308305992 648.9231028291201 203.3309909518763 135.1085630474337 68.01430435812837 143.2379870375233 37.34212443829269 260.4441830086669 209.8323584836786 187.7178031952271 204.9923593640823 UXP-1'_2 93.44043183029873 510.1728142117639 170.7636032718438 167.9669718409531 313.8711281315225 147.6159177800187 184.6893260700196 156.576661117168 137.4142119493021 56.1731682155702 175.7691946264798 134.1625904049044 165.3169327112781 133.075609445531 UXP-5_1 71.34338736496693 125.3901491349196 70.72439015623678 149.2190410549267 310.2663860856345 168.0972181409052 111.0471093884062 50.93696854478142 88.62670264743949 22.7637763754337 174.4742990842195 106.5838562882279 121.2909777772335 118.0734884032086 UXP-5_2 33.37795940788423 129.5477973681238 34.96673904000401 74.16046504762966 212.4042060333044 44.88717028889616 49.84118997779673 16.56061574768726 46.88759162265953 14.33401861708577 56.09203329094129 52.27114038424278 56.65538847058329 69.82365058284981 UXP-5_3 33.56189306043157 103.5439006808285 43.84130461505563 66.8083479091174 197.6805663866847 32.8451500702662 47.42405424829891 11.06893558446306 21.7809299757416 18.11758477845957 71.85790962589961 51.9209464642563 46.45403115403035 24.19098889790529 UXP-5_4 40.77846916074271 99.4639602498223 38.36871929482135 105.8973464297792 317.7108648229291 66.69686204133659 25.10130684438341 37.01543281418315 51.6790786398122 7.938193307212116 98.07147063955176 73.75146554607201 78.11879220833526 84.06570361999363 UXP-6_1 27.578465324663 20.67785 13.17164715816308 30.43440541924749 99.4173741966008 35.41589521211806 28.93107401134019 13.30314252667923 23.07661767036338 5.717529137476772 51.02426876123664 31.86038248761477 22.02180731500327 30.4669148026646 UXP-6_2 18.63856820300072 30.711551 48.00233938550733 30.64317772471214 90.89773253420367 67.71563874768601 12.64103332459048 12.36134850891407 34.89563031032164 6.830256912670134 46.89125533574845 34.55831090887282 20.37166996202756 31.47597122911293 Val-B_1 80.16649638930072 900.5149068489462 394.4673124454001 745.2935837771162 1575.489477171306 1077.434099168097 84.18838820624389 216.1053304957902 404.1463348681017 167.752296779715 116.7284114283318 23.11161482212215 430.1953295379676 253.6227912786926 275.9798971211808 Val-B_2 72.54991060596227 357.8756764831799 176.3962004050162 148.4076737733135 391.2186674458029 242.2161818042422 85.36368500945196 94.55758222922537 169.9868054892922 69.55842180173583 113.1697501912329 10.17199117393247 251.3686666252318 117.8951864206021 150.9950601607082 aGlc 13C-A_1 792.2828358361432 2933.419088514529 1705.102024611496 2015.109741050908 592.2150452652562 5860.923581917406 1094.134483516854 1291.780677446597 693.4203798272114 aGlc 13C-B_1 393.617264060622 2421.573028571429 1718.268297983129 837.8471828571429 129.2338324935814 683.6999785698601 64.83328 194.7210238934557 1079.106304996172 816.5400399310113 aGlc 13C-B_2 37.65272571428572 aGlc 13C-B_3 43.51381142857143 aGlc_1 114.1755120471439 146.5310607665646 102.6977522623597 401.5272947277487 830.1064432599544 262.4628062787278 304.3368571989694 73.84067909992167 182.0604446361467 37.51064370461488 171.162398758563 613.4319432691117 369.7103472519585 164.5299160974853 aGlc_2 153.6447838284033 174.7027934731788 101.4872917253068 403.0765251511212 784.004867195755 234.6436590221914 294.1743349558505 75.63658040167094 194.4063270148805 38.74768229873138 205.4435562205902 597.7587149492258 424.7411293389853 168.8150947586372 bGlc 13C-A_1 605.4593900877537 3007.084665140287 408.5560619583408 1535.859918402552 2148.450392931997 700.1279685830109 611.04129370113 383.9430921556397 301.3370481623131 138.2118598861463 913.5612575798499 187.9178953846154 778.406782190533 964.4932921638786 765.5825116165191 bGlc 13C-A_2 411.3027498077162 1196.375918146098 1311.947624279309 1064.913759242329 1825.948022453326 482.7615705201595 578.1609641115806 1568.523044525915 1299.079325772061 421.5471846865025 1032.625794774498 781.2086997159741 342.3864328410112 592.9873328722583 bGlc 13C-A_3 1064.428890518109 1397.442219179003 581.0815543382331 1723.516590815234 2028.715372458714 1324.43797356762 1539.233250407127 827.0982797893118 481.9632053146491 122.5674707690973 1021.631603457355 1008.176163218222 1821.997546163624 1247.890567694757 bGlc 13C-A_4 802.8039749536372 2392.821601676776 2293.370338562804 3434.156454902841 1061.581010336548 1267.835853004106 1726.167047616041 1139.866708385191 459.621189539768 1230.165708572167 1113.532244522479 bGlc 13C-A_5 2315.53763146676 3118.565836836962 3877.082864882605 1102.526300686715 2190.685673317556 1218.319137562392 bGlc 13C-B_1 1651.649949268375 541.5073059315911 944.8223685647129 2128.314111362007 5443.1338865166 1173.718499332924 1011.766641434651 1283.167544792558 490.4909668146785 1322.693580607468 57.94683544610988 1313.975952915574 1434.314260742304 1136.646295231163 bGlc 13C-B_2 1789.085735811048 3479.592257778794 1520.052242230694 3763.564779604452 1468.434977825001 509.2738041222595 1886.151684615698 1387.72864800546 386.2421501865354 3205.244013297523 2723.846270334061 2097.710926525383 2313.001108503436 bGlc 13C-B_3 316.0340472513025 1661.796469742413 268.116564650985 1013.306813135201 2102.823984103407 291.7393881455548 133.4564560625128 871.9318895358558 583.6693362451423 546.3128339753002 562.4459782092715 bGlc 13C-B_4 1391.034681184937 bGlc 13C-B_5 929.4597731842786 bGlc_1 208.1005597609579 2407.746317628611 165.4143385966216 650.7850335070019 1274.89455868066 381.702048926303 352.4714669538083 95.3362287888225 234.2318221850264 46.01701545823093 365.3955404759993 579.9768923590922 527.7143542208502 240.2829570079585 bGlc_2 129.3757372709612 178.7725529679751 106.7268534396621 413.5388075177733 651.6135427782434 289.1011307123542 290.8426322790489 50.91270203214278 161.8048294116135 24.22855519361882 169.4112522346933 451.8315684597484 453.5572032166189 165.3636968475854 bGlc_3 817.4741388480437 m-Ins-1,3_1 165.6654127094861 311.3816202009656 165.6810821792925 238.942337220034 572.277759630905 256.6817601470987 115.2516169951266 71.99988511416642 117.1766933699819 28.9673547336555 299.5866683710704 13.34785931244155 241.1886983105225 154.3448809965541 190.1854364741868 m-Ins-1,3_2 287.0330058725314 659.2090259595022 223.7822606405899 343.4258213505706 941.12109392105 396.4833400526784 233.1831830479588 122.503884590193 329.3946382482636 62.16343485278019 389.6464722411581 18.64088508792825 355.3799420497369 256.6585563179568 354.3175634193658 m-Ins-1,3_3 173.6647458119554 343.9697326155423 127.9441851600514 210.7103391565548 812.8128495539576 361.8591521191312 92.26253502646152 95.63521572604962 55.36579019801698 42.1441989665722 337.0587169133776 329.0959792442624 142.8551507290158 218.6952381888783 m-Ins-1,3_4 198.2453956892829 203.5144159003655 117.8446672290169 157.6873022140481 534.4737567989838 221.881716370312 58.71836497503804 75.34141112098634 29.34623574757217 33.74269443669375 225.6016739944509 337.455915929179 62.15223473315685 121.5301396003341 m-Ins-1,3_5 110.8002781429707 215.1573799931415 101.7856639992498 115.9556771783796 393.357566468022 141.070013962449 216.9313052026539 m-Ins-2?_1 158.7425937287813 374.8313604407442 163.7135178737527 190.4082359711296 799.2677903534437 265.7100043975472 89.70022714671748 109.4827379278398 167.8349677100751 48.33473584853422 353.0822920428559 20.86939791088362 393.8260108680215 149.2488050592797 220.0935995136502 m-Ins-2?_2 296.5707310650621 713.214646409362 268.0117865779204 406.5461897544266 973.5176347206291 444.0760534062098 189.0570194576913 207.9571847327852 235.5268097115807 81.55209809730353 664.7020765959069 20.79002868283658 527.7570420443052 252.2622507084739 369.5842543456429 m-Ins-2?_3 284.7951060561016 639.2218454743016 298.7166347638519 412.8778869897301 1420.287504745844 262.0406375163389 196.8354153300507 192.6282062726033 287.6678000443574 91.92946852871253 649.097800906041 443.4294913873521 291.9901871564579 347.2011720470094 pyruvate-3_1 20.86762715983608 51.05336971130993 39.5637094361712 82.08631592676036 154.2996390750431 48.71276340234976 24.2864920699486 36.534325729922 73.25604092315373 12.70642362167951 65.56425527463144 98.44963634488717 40.34101904096897 46.93315534976856 NMR_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name base_inchi isotopic_inchi peak_description peak_pattern proton_count representative_inchi transient_peak transient_peak%type AXP-1' 13C-A_1 ['InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/p-2/t4-,6-,7-,10-/m1/s1', ' InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/p-3/t4-,6-,7-,10-/m1/s1', ' InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/p-4/t4-,6-,7-,10-/m1/s1'] ['InChI=1/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/p-2/t4-,6-,7-,10-/m1/s1/i7H,10+1H/fC10H12N5O7P/h11H2/q-2', ' InChI=1/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/p-3/t4-,6-,7-,10-/m1/s1/i7H,10+1H/fC10H12N5O10P2/h11H2/q-3', ' InChI=1/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/p-4/t4-,6-,7-,10-/m1/s1/i7H,10+1H/fC10H12N5O13P3/h11H2/q-4'] ['[1H31:C10]HResonance + [1H31:13C10]J1CH + [1H31:1H30]J3HH', ' [1H35:13C10]HResonance + [1H35:13C10]J1CH + [1H35:1H34]J3HH', ' [1H39:13C10]HResonance + [1H39:13C10]J1CH + [1H39:1H38]J3HH'] multiplets 0.5 ['InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/p-2/t4-,6-,7-,10-/m1/s1', ' InChI=1/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/p-3/t4-,6-,7-,10-/m1/s1/fC10H12N5O10P2/h11H2/q-3', ' InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/p-4/t4-,6-,7-,10-/m1/s1'] 1 integer AXP-1' 13C-B_1 ['InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/p-2/t4-,6-,7-,10-/m1/s1', ' InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/p-3/t4-,6-,7-,10-/m1/s1', ' InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/p-4/t4-,6-,7-,10-/m1/s1'] ['InChI=1/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/p-2/t4-,6-,7-,10-/m1/s1/i7H,10+1H/fC10H12N5O7P/h11H2/q-2', ' InChI=1/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/p-3/t4-,6-,7-,10-/m1/s1/i7H,10+1H/fC10H12N5O10P2/h11H2/q-3', ' InChI=1/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/p-4/t4-,6-,7-,10-/m1/s1/i7H,10+1H/fC10H12N5O13P3/h11H2/q-4'] ['[1H31:C10]HResonance + [1H31:13C10]J1CH + [1H31:1H30]J3HH', ' [1H35:13C10]HResonance + [1H35:13C10]J1CH + [1H35:1H34]J3HH', ' [1H39:13C10]HResonance + [1H39:13C10]J1CH + [1H39:1H38]J3HH'] multiplets 0.5 ['InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/p-2/t4-,6-,7-,10-/m1/s1', ' InChI=1/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/p-3/t4-,6-,7-,10-/m1/s1/fC10H12N5O10P2/h11H2/q-3', ' InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/p-4/t4-,6-,7-,10-/m1/s1'] 1 integer AXP-1' 13C-B_2 ['InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/p-2/t4-,6-,7-,10-/m1/s1', ' InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/p-3/t4-,6-,7-,10-/m1/s1', ' InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/p-4/t4-,6-,7-,10-/m1/s1'] ['InChI=1/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/p-2/t4-,6-,7-,10-/m1/s1/i7H,10+1H/fC10H12N5O7P/h11H2/q-2', ' InChI=1/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/p-3/t4-,6-,7-,10-/m1/s1/i7H,10+1H/fC10H12N5O10P2/h11H2/q-3', ' InChI=1/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/p-4/t4-,6-,7-,10-/m1/s1/i7H,10+1H/fC10H12N5O13P3/h11H2/q-4'] ['[1H31:C10]HResonance + [1H31:13C10]J1CH + [1H31:1H30]J3HH', ' [1H35:13C10]HResonance + [1H35:13C10]J1CH + [1H35:1H34]J3HH', ' [1H39:13C10]HResonance + [1H39:13C10]J1CH + [1H39:1H38]J3HH'] multiplets 0.5 ['InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/p-2/t4-,6-,7-,10-/m1/s1', ' InChI=1/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/p-3/t4-,6-,7-,10-/m1/s1/fC10H12N5O10P2/h11H2/q-3', ' InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/p-4/t4-,6-,7-,10-/m1/s1'] 2 integer AXP-1'_1 ['InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/p-2/t4-,6-,7-,10-/m1/s1', ' InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/p-3/t4-,6-,7-,10-/m1/s1', ' InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/p-4/t4-,6-,7-,10-/m1/s1'] ['InChI=1/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/p-2/t4-,6-,7-,10-/m1/s1/i7H,10H/fC10H12N5O7P/h11H2/q-2', ' InChI=1/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/p-3/t4-,6-,7-,10-/m1/s1/i7H,10H/fC10H12N5O10P2/h11H2/q-3', ' InChI=1/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/p-4/t4-,6-,7-,10-/m1/s1/i7H,10H/fC10H12N5O13P3/h11H2/q-4'] ['[1H31:C10]HResonance + [1H31:1H30]J3HH', ' [1H35:C10]HResonance + [1H35:1H34]J3HH', ' [1H39:C10]HResonance + [1H39:1H38]J3HH'] doublets 1 ['InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/p-2/t4-,6-,7-,10-/m1/s1', ' InChI=1/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/p-3/t4-,6-,7-,10-/m1/s1/fC10H12N5O10P2/h11H2/q-3', ' InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/p-4/t4-,6-,7-,10-/m1/s1'] 1 integer AXP-1'_2 ['InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/p-2/t4-,6-,7-,10-/m1/s1', ' InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/p-3/t4-,6-,7-,10-/m1/s1', ' InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/p-4/t4-,6-,7-,10-/m1/s1'] ['InChI=1/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/p-2/t4-,6-,7-,10-/m1/s1/i7H,10H/fC10H12N5O7P/h11H2/q-2', ' InChI=1/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/p-3/t4-,6-,7-,10-/m1/s1/i7H,10H/fC10H12N5O10P2/h11H2/q-3', ' InChI=1/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/p-4/t4-,6-,7-,10-/m1/s1/i7H,10H/fC10H12N5O13P3/h11H2/q-4'] ['[1H31:C10]HResonance + [1H31:1H30]J3HH', ' [1H35:C10]HResonance + [1H35:1H34]J3HH', ' [1H39:C10]HResonance + [1H39:1H38]J3HH'] doublets 1 ['InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/p-2/t4-,6-,7-,10-/m1/s1', ' InChI=1/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/p-3/t4-,6-,7-,10-/m1/s1/fC10H12N5O10P2/h11H2/q-3', ' InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/p-4/t4-,6-,7-,10-/m1/s1'] 2 integer AXP-2_1 ['InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/p-2/t4-,6-,7-,10-/m1/s1', ' InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/p-3/t4-,6-,7-,10-/m1/s1', ' InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/p-4/t4-,6-,7-,10-/m1/s1'] InChI=1/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/p-2/t4-,6-,7-,10-/m1/s1/i2H/fC10H12N5O7P/h11H2/q-2 [1H26:C2]HResonance singlet 1 ['InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/p-2/t4-,6-,7-,10-/m1/s1', ' InChI=1/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/p-3/t4-,6-,7-,10-/m1/s1/fC10H12N5O10P2/h11H2/q-3', ' InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/p-4/t4-,6-,7-,10-/m1/s1'] 1 integer AXP-2_2 ['InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/p-2/t4-,6-,7-,10-/m1/s1', ' InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/p-3/t4-,6-,7-,10-/m1/s1', ' InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/p-4/t4-,6-,7-,10-/m1/s1'] InChI=1/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/p-2/t4-,6-,7-,10-/m1/s1/i2H/fC10H12N5O7P/h11H2/q-2 [1H26:C2]HResonance singlet 1 ['InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/p-2/t4-,6-,7-,10-/m1/s1', ' InChI=1/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/p-3/t4-,6-,7-,10-/m1/s1/fC10H12N5O10P2/h11H2/q-3', ' InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/p-4/t4-,6-,7-,10-/m1/s1'] 2 integer AXP-8_1 ['InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/p-2/t4-,6-,7-,10-/m1/s1', ' InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/p-3/t4-,6-,7-,10-/m1/s1', ' InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/p-4/t4-,6-,7-,10-/m1/s1'] ['InChI=1/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/p-2/t4-,6-,7-,10-/m1/s1/i3H/fC10H12N5O7P/h11H2/q-2', ' InChI=1/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/p-3/t4-,6-,7-,10-/m1/s1/i3H/fC10H12N5O10P2/h11H2/q-3', ' InChI=1/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/p-4/t4-,6-,7-,10-/m1/s1/i3H/fC10H12N5O13P3/h11H2/q-4'] ['[1H27:C3]Hresonance', ' [1H30:C2]Hresonance', ' [1H35:C3]Hresonance'] singlet 1 ['InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/p-2/t4-,6-,7-,10-/m1/s1', ' InChI=1/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/p-3/t4-,6-,7-,10-/m1/s1/fC10H12N5O10P2/h11H2/q-3', ' InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/p-4/t4-,6-,7-,10-/m1/s1'] 1 integer Ace-2_1 InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1 InChI=1/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1/i1H3/fC2H3O2/q-1 ['[1H5', '1H6', '1H7:C1]HResonance'] singlet 3 InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1 1 integer Ala-3_1 InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1 InChI=1/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1/i1H3,2H/f/h4H ['[1H7', '1H8', '1H9:C1]HResonance + [1H7', '1H8', '1H9:1H10]J3HH'] doublets 3 InChI=1/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1/f/h4H 1 integer Ala-3_2 InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1 InChI=1/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1/i1H3,2H/f/h4H ['[1H7', '1H8', '1H9:C1]HResonance + [1H7', '1H8', '1H9:1H10]J3HH'] doublets 3 InChI=1/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1/f/h4H 2 integer Ala13C-A_1 InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1 InChI=1/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1/i1+1H3,2H/f/h4H ['[1H7', '1H8', '1H9:C1]HResonance + [1H7', '1H8', '1H9:13C1]J1CH + [1H7', '1H8', '1H9:1H10]J3HH'] ddd 1.5 InChI=1/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1/f/h4H 1 integer Ala13C-A_2 InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1 InChI=1/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1/i1+1H3,2H/f/h4H ['[1H7', '1H8', '1H9:C1]HResonance + [1H7', '1H8', '1H9:13C1]J1CH + [1H7', '1H8', '1H9:1H10]J3HH'] ddd 1.5 InChI=1/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1/f/h4H 2 integer Ala13C-A_3 InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1 InChI=1/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1/i1+1H3,2H/f/h4H ['[1H7', '1H8', '1H9:C1]HResonance + [1H7', '1H8', '1H9:13C1]J1CH + [1H7', '1H8', '1H9:1H10]J3HH'] ddd 1.5 InChI=1/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1/f/h4H 3 integer Ala13C-A_4 InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1 InChI=1/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1/i1+1H3,2H/f/h4H ['[1H7', '1H8', '1H9:C1]HResonance + [1H7', '1H8', '1H9:13C1]J1CH + [1H7', '1H8', '1H9:1H10]J3HH'] ddd 1.5 InChI=1/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1/f/h4H 4 integer Ala13C-A_5 InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1 InChI=1/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1/i1+1H3,2H/f/h4H ['[1H7', '1H8', '1H9:C1]HResonance + [1H7', '1H8', '1H9:13C1]J1CH + [1H7', '1H8', '1H9:1H10]J3HH'] ddd 1.5 InChI=1/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1/f/h4H 5 integer Ala13C-A_6 InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1 InChI=1/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1/i1+1H3,2H/f/h4H ['[1H7', '1H8', '1H9:C1]HResonance + [1H7', '1H8', '1H9:13C1]J1CH + [1H7', '1H8', '1H9:1H10]J3HH'] ddd 1.5 InChI=1/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1/f/h4H 6 integer Ala13C-B_1 InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1 InChI=1/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1/i1+1H3,2H/f/h4H ['[1H7', '1H8', '1H9:C1]HResonance + [1H7', '1H8', '1H9:13C1]J1CH + [1H7', '1H8', '1H9:1H10]J3HH'] ddd 1.5 InChI=1/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1/f/h4H 1 integer Ala13C-B_2 InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1 InChI=1/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1/i1+1H3,2H/f/h4H ['[1H7', '1H8', '1H9:C1]HResonance + [1H7', '1H8', '1H9:13C1]J1CH + [1H7', '1H8', '1H9:1H10]J3HH'] ddd 1.5 InChI=1/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1/f/h4H 2 integer Ala13C-B_3 InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1 InChI=1/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1/i1+1H3,2H/f/h4H ['[1H7', '1H8', '1H9:C1]HResonance + [1H7', '1H8', '1H9:13C1]J1CH + [1H7', '1H8', '1H9:1H10]J3HH'] ddd 1.5 InChI=1/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1/f/h4H 3 integer Ala13C-B_4 InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1 InChI=1/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1/i1+1H3,2H/f/h4H ['[1H7', '1H8', '1H9:C1]HResonance + [1H7', '1H8', '1H9:13C1]J1CH + [1H7', '1H8', '1H9:1H10]J3HH'] ddd 1.5 InChI=1/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1/f/h4H 4 integer Ala13C-B_5 InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1 InChI=1/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1/i1+1H3,2H/f/h4H ['[1H7', '1H8', '1H9:C1]HResonance + [1H7', '1H8', '1H9:13C1]J1CH + [1H7', '1H8', '1H9:1H10]J3HH'] ddd 1.5 InChI=1/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1/f/h4H 5 integer Ala13C-B_6 InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1 InChI=1/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1/i1+1H3,2H/f/h4H ['[1H7', '1H8', '1H9:C1]HResonance + [1H7', '1H8', '1H9:13C1]J1CH + [1H7', '1H8', '1H9:1H10]J3HH'] ddd 1.5 InChI=1/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1/f/h4H 6 integer Ala13C-B_7 InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1 InChI=1/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1/i1+1H3,2H/f/h4H ['[1H7', '1H8', '1H9:C1]HResonance + [1H7', '1H8', '1H9:13C1]J1CH + [1H7', '1H8', '1H9:1H10]J3HH'] ddd 1.5 InChI=1/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1/f/h4H 7 integer Ala13C-B_8 InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1 InChI=1/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1/i1+1H3,2H/f/h4H ['[1H7', '1H8', '1H9:C1]HResonance + [1H7', '1H8', '1H9:13C1]J1CH + [1H7', '1H8', '1H9:1H10]J3HH'] ddd 1.5 InChI=1/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1/f/h4H 8 integer Asp-3a_1 InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/p-1/t2-/m0/s1 InChI=1/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/p-1/t2-/m0/s1/i1H2,2H/fC4H6NO4/h5H/q-1 ['1H10', '1H11:C1]HResonance + [1H10:1H11]J2HH + [1H10', '1H11:1H12]J3HH'] dd 1 InChI=1/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/p-1/t2-/m0/s1/fC4H6NO4/h5H/q-1 1 integer Asp-3a_2 InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/p-1/t2-/m0/s1 InChI=1/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/p-1/t2-/m0/s1/i1H2,2H/fC4H6NO4/h5H/q-1 ['1H10', '1H11:C1]HResonance + [1H10:1H11]J2HH + [1H10', '1H11:1H12]J3HH'] dd 1 InChI=1/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/p-1/t2-/m0/s1/fC4H6NO4/h5H/q-1 2 integer Asp-3a_3 InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/p-1/t2-/m0/s1 InChI=1/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/p-1/t2-/m0/s1/i1H2,2H/fC4H6NO4/h5H/q-1 ['1H10', '1H11:C1]HResonance + [1H10:1H11]J2HH + [1H10', '1H11:1H12]J3HH'] dd 1 InChI=1/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/p-1/t2-/m0/s1/fC4H6NO4/h5H/q-1 3 integer Asp-3a_4 InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/p-1/t2-/m0/s1 InChI=1/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/p-1/t2-/m0/s1/i1H2,2H/fC4H6NO4/h5H/q-1 ['1H10', '1H11:C1]HResonance + [1H10:1H11]J2HH + [1H10', '1H11:1H12]J3HH'] dd 1 InChI=1/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/p-1/t2-/m0/s1/fC4H6NO4/h5H/q-1 4 integer Asp-3b_1 InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/p-1/t2-/m0/s1 InChI=1/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/p-1/t2-/m0/s1/i1H2,2H/fC4H6NO4/h5H/q-1 ['1H10', '1H11:C1]HResonance + [1H10:1H11]J2HH + [1H10', '1H11:1H12]J3HH'] dd 1 InChI=1/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/p-1/t2-/m0/s1/fC4H6NO4/h5H/q-1 1 integer Asp-3b_2 InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/p-1/t2-/m0/s1 InChI=1/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/p-1/t2-/m0/s1/i1H2,2H/fC4H6NO4/h5H/q-1 ['1H10', '1H11:C1]HResonance + [1H10:1H11]J2HH + [1H10', '1H11:1H12]J3HH'] dd 1 InChI=1/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/p-1/t2-/m0/s1/fC4H6NO4/h5H/q-1 2 integer Asp-3b_3 InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/p-1/t2-/m0/s1 InChI=1/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/p-1/t2-/m0/s1/i1H2,2H/fC4H6NO4/h5H/q-1 ['1H10', '1H11:C1]HResonance + [1H10:1H11]J2HH + [1H10', '1H11:1H12]J3HH'] dd 1 InChI=1/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/p-1/t2-/m0/s1/fC4H6NO4/h5H/q-1 3 integer Asp-3b_4 InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/p-1/t2-/m0/s1 InChI=1/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/p-1/t2-/m0/s1/i1H2,2H/fC4H6NO4/h5H/q-1 ['1H10', '1H11:C1]HResonance + [1H10:1H11]J2HH + [1H10', '1H11:1H12]J3HH'] dd 1 InChI=1/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/p-1/t2-/m0/s1/fC4H6NO4/h5H/q-1 4 integer CXP-6_1 ['InChI=1S/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/p-2/t4-,6-,7-,8-/m1/s1', ' InChI=1S/C9H15N3O11P2/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H2,10,11,15)(H2,16,17,18)/p-3/t4-,6-,7-,8-/m1/s1', ' InChI=1S/C9H16N3O14P3/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H2,10,11,15)(H2,16,17,18)/p-4/t4-,6-,7-,8-/m1/s1'] ['InChI=1/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/p-2/t4-,6-,7-,8-/m1/s1/i1H,2H/fC9H12N3O8P/h10H2/q-2', ' InChI=1/C9H15N3O11P2/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H2,10,11,15)(H2,16,17,18)/p-3/t4-,6-,7-,8-/m1/s1/i1H,2H/fC9H12N3O11P2/h10H2/q-3', ' InChI=1/C9H16N3O14P3/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H2,10,11,15)(H2,16,17,18)/p-4/t4-,6-,7-,8-/m1/s1/i1H,2H/fC9H12N3O14P3/h10H2/q-4'] ['[1H23:C2]HResonance + [1H23:1H22]J3HH', ' [1H27:C2]HResonance + [1H27:1H26]J3HH', ' [1H31:C2]HResonance + [1H31:1H30]J3HH'] doublets 1 ['InChI=1/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/p-2/t4-,6-,7-,8-/m1/s1/fC9H12N3O8P/h10H2/q-2', ' InChI=1/C9H15N3O11P2/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H2,10,11,15)(H2,16,17,18)/p-3/t4-,6-,7-,8-/m1/s1/fC9H12N3O11P2/h10H2/q-3', ' InChI=1/C9H16N3O14P3/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H2,10,11,15)(H2,16,17,18)/p-4/t4-,6-,7-,8-/m1/s1/fC9H12N3O14P3/h10H2/q-4'] 1 integer Creat_1 InChI=1S/C4H9N3O2/c1-7(4(5)6)2-3(8)9/h2H2,1H3,(H3,5,6)(H,8,9) InChI=1S/C4H9N3O2/c1-7(4(5)6)2-3(8)9/h2H2,1H3,(H3,5,6)(H,8,9)/i1H3 ['[1H10', '1H11', '1H12:C1]HResonance'] singlet 3 InChI=1S/C4H9N3O2/c1-7(4(5)6)2-3(8)9/h2H2,1H3,(H3,5,6)(H,8,9) 1 integer Cys-3-GSH_1 InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1 InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1/i4H2,6H/fC10H16N3O6S/h11-13H/q-1 ['[1H27', '1H28:C4]HResonance + [1H27', '1H28:1H30]J3HH'] triplet 2 InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1/fC10H16N3O6S/h11-13H/q-1 1 integer Cys-3-GSH_2 InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1 InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1/i4H2,6H/fC10H16N3O6S/h11-13H/q-1 ['[1H27', '1H28:C4]HResonance + [1H27', '1H28:1H30]J3HH'] triplet 2 InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1/fC10H16N3O6S/h11-13H/q-1 2 integer Cys-3-GSH_3 InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1 InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1/i4H2,6H/fC10H16N3O6S/h11-13H/q-1 ['[1H27', '1H28:C4]HResonance + [1H27', '1H28:1H30]J3HH'] triplet 2 InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1/fC10H16N3O6S/h11-13H/q-1 3 integer Cys-3-GSH_4 InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1 InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1/i4H2,6H/fC10H16N3O6S/h11-13H/q-1 ['[1H27', '1H28:C4]HResonance + [1H27', '1H28:1H30]J3HH'] triplet 2 InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1/fC10H16N3O6S/h11-13H/q-1 4 integer DSS_1 InChI=1S/C6H16O3SSi/c1-11(2,3)6-4-5-10(7,8)9/h4-6H2,1-3H3,(H,7,8,9)/i4D2,5D2,6D2 InChI=1/C6H16O3SSi/c1-11(2,3)6-4-5-10(7,8)9/h4-6H2,1-3H3,(H,7,8,9)/p-1/i1H3,2H3,3H3,4D2,5D2,6D2/fC6H15O3SSi/q-1 ['[1H12', '1H13', '1H14:C1+1H15', '1H16', '1H17:C2+1H18', '1H19', '1H20:C3]Hresonance'] Singlet 9 InChI=1/C6H16O3SSi/c1-11(2,3)6-4-5-10(7,8)9/h4-6H2,1-3H3,(H,7,8,9)/p-1/i4D2,5D2,6D2/fC6H15O3SSi/q-1 1 integer For_1 InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)/p-1 InChI=1/CH2O2/c2-1-3/h1H,(H,2,3)/p-1/i1H/fCHO2/q-1 [1H4:C1]Hresonance singlet 1 InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)/p-1 1 integer Fum_1 InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/p-2/b2-1+ InChI=1/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/p-2/b2-1+/i1H,2H/fC4H2O4/q-2 [1H9:C1+1H10:C2]Hresonance singlet 2 InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/p-2/b2-1+ 1 integer GSH+GSSG-3_1 ['InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1', ' InChI=1S/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2'] ['InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1/i1H2,2H2,5H/fC10H16N3O6S/h11-13H/q-1', ' InChI=1/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2/t9-,10-,11-,12-/m0/s1/i1H2,2H2,3H2,4H2,,9H,10H/fC20H30N6O12S2/h21-22,27-28,33-34H/q-2'] ['[1H21,1H22:C1]HResonance + [1H21,1H22:1H23,1H24]J3HH + [1H21,1H22:1H29]J3HH', ' [1H41,1H42:C1+1H43,1H44:C2]HResonance + [1H41,1H42:1H45,1H46]J3HH + [1H41,1H42:1H57]J3HH + [1H43,1H44:1H47,1H48]J3HH + [1H43,1H44:1H58]J3HH'] multiplets 2 ['InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1/fC10H16N3O6S/h11-13H/q-1', ' InChI=1/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2/t9-,10-,11-,12-/m0/s1/fC20H30N6O12S2/h21-22,27-28,33-34H/q-2'] 1 integer GSH+GSSG-3_2 ['InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1', ' InChI=1S/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2'] ['InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1/i1H2,2H2,5H/fC10H16N3O6S/h11-13H/q-1', ' InChI=1/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2/t9-,10-,11-,12-/m0/s1/i1H2,2H2,3H2,4H2,,9H,10H/fC20H30N6O12S2/h21-22,27-28,33-34H/q-2'] ['[1H21,1H22:C1]HResonance + [1H21,1H22:1H23,1H24]J3HH + [1H21,1H22:1H29]J3HH', ' [1H41,1H42:C1+1H43,1H44:C2]HResonance + [1H41,1H42:1H45,1H46]J3HH + [1H41,1H42:1H57]J3HH + [1H43,1H44:1H47,1H48]J3HH + [1H43,1H44:1H58]J3HH'] multiplets 2 ['InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1/fC10H16N3O6S/h11-13H/q-1', ' InChI=1/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2/t9-,10-,11-,12-/m0/s1/fC20H30N6O12S2/h21-22,27-28,33-34H/q-2'] 2 integer GSH+GSSG-3_3 ['InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1', ' InChI=1S/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2'] ['InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1/i1H2,2H2,5H/fC10H16N3O6S/h11-13H/q-1', ' InChI=1/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2/t9-,10-,11-,12-/m0/s1/i1H2,2H2,3H2,4H2,,9H,10H/fC20H30N6O12S2/h21-22,27-28,33-34H/q-2'] ['[1H21,1H22:C1]HResonance + [1H21,1H22:1H23,1H24]J3HH + [1H21,1H22:1H29]J3HH', ' [1H41,1H42:C1+1H43,1H44:C2]HResonance + [1H41,1H42:1H45,1H46]J3HH + [1H41,1H42:1H57]J3HH + [1H43,1H44:1H47,1H48]J3HH + [1H43,1H44:1H58]J3HH'] multiplets 2 ['InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1/fC10H16N3O6S/h11-13H/q-1', ' InChI=1/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2/t9-,10-,11-,12-/m0/s1/fC20H30N6O12S2/h21-22,27-28,33-34H/q-2'] 3 integer GSH+GSSG-3_4 ['InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1', ' InChI=1S/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2'] ['InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1/i1H2,2H2,5H/fC10H16N3O6S/h11-13H/q-1', ' InChI=1/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2/t9-,10-,11-,12-/m0/s1/i1H2,2H2,3H2,4H2,,9H,10H/fC20H30N6O12S2/h21-22,27-28,33-34H/q-2'] ['[1H21,1H22:C1]HResonance + [1H21,1H22:1H23,1H24]J3HH + [1H21,1H22:1H29]J3HH', ' [1H41,1H42:C1+1H43,1H44:C2]HResonance + [1H41,1H42:1H45,1H46]J3HH + [1H41,1H42:1H57]J3HH + [1H43,1H44:1H47,1H48]J3HH + [1H43,1H44:1H58]J3HH'] multiplets 2 ['InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1/fC10H16N3O6S/h11-13H/q-1', ' InChI=1/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2/t9-,10-,11-,12-/m0/s1/fC20H30N6O12S2/h21-22,27-28,33-34H/q-2'] 4 integer GSH+GSSG-3_5 ['InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1', ' InChI=1S/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2'] ['InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1/i1H2,2H2,5H/fC10H16N3O6S/h11-13H/q-1', ' InChI=1/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2/t9-,10-,11-,12-/m0/s1/i1H2,2H2,3H2,4H2,,9H,10H/fC20H30N6O12S2/h21-22,27-28,33-34H/q-2'] ['[1H21,1H22:C1]HResonance + [1H21,1H22:1H23,1H24]J3HH + [1H21,1H22:1H29]J3HH', ' [1H41,1H42:C1+1H43,1H44:C2]HResonance + [1H41,1H42:1H45,1H46]J3HH + [1H41,1H42:1H57]J3HH + [1H43,1H44:1H47,1H48]J3HH + [1H43,1H44:1H58]J3HH'] multiplets 2 ['InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1/fC10H16N3O6S/h11-13H/q-1', ' InChI=1/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2/t9-,10-,11-,12-/m0/s1/fC20H30N6O12S2/h21-22,27-28,33-34H/q-2'] 5 integer GSH+GSSG-3_6 ['InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1', ' InChI=1S/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2'] ['InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1/i1H2,2H2,5H/fC10H16N3O6S/h11-13H/q-1', ' InChI=1/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2/t9-,10-,11-,12-/m0/s1/i1H2,2H2,3H2,4H2,,9H,10H/fC20H30N6O12S2/h21-22,27-28,33-34H/q-2'] ['[1H21,1H22:C1]HResonance + [1H21,1H22:1H23,1H24]J3HH + [1H21,1H22:1H29]J3HH', ' [1H41,1H42:C1+1H43,1H44:C2]HResonance + [1H41,1H42:1H45,1H46]J3HH + [1H41,1H42:1H57]J3HH + [1H43,1H44:1H47,1H48]J3HH + [1H43,1H44:1H58]J3HH'] multiplets 2 ['InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1/fC10H16N3O6S/h11-13H/q-1', ' InChI=1/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2/t9-,10-,11-,12-/m0/s1/fC20H30N6O12S2/h21-22,27-28,33-34H/q-2'] 6 integer GSH+GSSG-4_1 ['InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1', ' InChI=1S/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2'] ['InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1/i1H2,2H2/fC10H16N3O6S/h11-13H/q-1', ' InChI=1/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2/t9-,10-,11-,12-/m0/s1/i1H2,2H2,3H2,4H2/fC20H30N6O12S2/h21-22,27-28,33-34H/q-2'] ['[1H23,1H24:C2]HResonance + [1H23:1H24]J2HH + [1H23,1H24:1H21,1H22]J3HH', ' [1H45,1H46:C3+1H47,1H48:C4]HResonance + [1H45:1H46]J2HH + [1H45,1H46:1H41,1H42]J3HH + [1H47:1H48]J2HH + [1H47,1H48:1H43,1H44]J3HH'] multiplets 4 ['InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1/fC10H16N3O6S/h11-13H/q-1', ' InChI=1/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2/t9-,10-,11-,12-/m0/s1/fC20H30N6O12S2/h21-22,27-28,33-34H/q-2'] 1 integer GSH+GSSG-4_2 ['InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1', ' InChI=1S/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2'] ['InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1/i1H2,2H2/fC10H16N3O6S/h11-13H/q-1', ' InChI=1/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2/t9-,10-,11-,12-/m0/s1/i1H2,2H2,3H2,4H2/fC20H30N6O12S2/h21-22,27-28,33-34H/q-2'] ['[1H23,1H24:C2]HResonance + [1H23:1H24]J2HH + [1H23,1H24:1H21,1H22]J3HH', ' [1H45,1H46:C3+1H47,1H48:C4]HResonance + [1H45:1H46]J2HH + [1H45,1H46:1H41,1H42]J3HH + [1H47:1H48]J2HH + [1H47,1H48:1H43,1H44]J3HH'] multiplets 4 ['InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1/fC10H16N3O6S/h11-13H/q-1', ' InChI=1/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2/t9-,10-,11-,12-/m0/s1/fC20H30N6O12S2/h21-22,27-28,33-34H/q-2'] 2 integer GSH+GSSG-4_3 ['InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1', ' InChI=1S/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2'] ['InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1/i1H2,2H2/fC10H16N3O6S/h11-13H/q-1', ' InChI=1/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2/t9-,10-,11-,12-/m0/s1/i1H2,2H2,3H2,4H2/fC20H30N6O12S2/h21-22,27-28,33-34H/q-2'] ['[1H23,1H24:C2]HResonance + [1H23:1H24]J2HH + [1H23,1H24:1H21,1H22]J3HH', ' [1H45,1H46:C3+1H47,1H48:C4]HResonance + [1H45:1H46]J2HH + [1H45,1H46:1H41,1H42]J3HH + [1H47:1H48]J2HH + [1H47,1H48:1H43,1H44]J3HH'] multiplets 4 ['InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1/fC10H16N3O6S/h11-13H/q-1', ' InChI=1/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2/t9-,10-,11-,12-/m0/s1/fC20H30N6O12S2/h21-22,27-28,33-34H/q-2'] 3 integer GSH+GSSG-4_4 ['InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1', ' InChI=1S/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2'] ['InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1/i1H2,2H2/fC10H16N3O6S/h11-13H/q-1', ' InChI=1/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2/t9-,10-,11-,12-/m0/s1/i1H2,2H2,3H2,4H2/fC20H30N6O12S2/h21-22,27-28,33-34H/q-2'] ['[1H23,1H24:C2]HResonance + [1H23:1H24]J2HH + [1H23,1H24:1H21,1H22]J3HH', ' [1H45,1H46:C3+1H47,1H48:C4]HResonance + [1H45:1H46]J2HH + [1H45,1H46:1H41,1H42]J3HH + [1H47:1H48]J2HH + [1H47,1H48:1H43,1H44]J3HH'] multiplets 4 ['InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1/fC10H16N3O6S/h11-13H/q-1', ' InChI=1/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2/t9-,10-,11-,12-/m0/s1/fC20H30N6O12S2/h21-22,27-28,33-34H/q-2'] 4 integer GSH+GSSG-4_5 ['InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1', ' InChI=1S/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2'] ['InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1/i1H2,2H2/fC10H16N3O6S/h11-13H/q-1', ' InChI=1/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2/t9-,10-,11-,12-/m0/s1/i1H2,2H2,3H2,4H2/fC20H30N6O12S2/h21-22,27-28,33-34H/q-2'] ['[1H23,1H24:C2]HResonance + [1H23:1H24]J2HH + [1H23,1H24:1H21,1H22]J3HH', ' [1H45,1H46:C3+1H47,1H48:C4]HResonance + [1H45:1H46]J2HH + [1H45,1H46:1H41,1H42]J3HH + [1H47:1H48]J2HH + [1H47,1H48:1H43,1H44]J3HH'] multiplets 4 ['InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1/fC10H16N3O6S/h11-13H/q-1', ' InChI=1/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2/t9-,10-,11-,12-/m0/s1/fC20H30N6O12S2/h21-22,27-28,33-34H/q-2'] 5 integer GSH+GSSG-4_6 ['InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1', ' InChI=1S/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2'] ['InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1/i1H2,2H2/fC10H16N3O6S/h11-13H/q-1', ' InChI=1/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2/t9-,10-,11-,12-/m0/s1/i1H2,2H2,3H2,4H2/fC20H30N6O12S2/h21-22,27-28,33-34H/q-2'] ['[1H23,1H24:C2]HResonance + [1H23:1H24]J2HH + [1H23,1H24:1H21,1H22]J3HH', ' [1H45,1H46:C3+1H47,1H48:C4]HResonance + [1H45:1H46]J2HH + [1H45,1H46:1H41,1H42]J3HH + [1H47:1H48]J2HH + [1H47,1H48:1H43,1H44]J3HH'] multiplets 4 ['InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1/fC10H16N3O6S/h11-13H/q-1', ' InChI=1/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2/t9-,10-,11-,12-/m0/s1/fC20H30N6O12S2/h21-22,27-28,33-34H/q-2'] 6 integer GSH+GSSG-4_7 ['InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1', ' InChI=1S/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2'] ['InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1/i1H2,2H2/fC10H16N3O6S/h11-13H/q-1', ' InChI=1/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2/t9-,10-,11-,12-/m0/s1/i1H2,2H2,3H2,4H2/fC20H30N6O12S2/h21-22,27-28,33-34H/q-2'] ['[1H23,1H24:C2]HResonance + [1H23:1H24]J2HH + [1H23,1H24:1H21,1H22]J3HH', ' [1H45,1H46:C3+1H47,1H48:C4]HResonance + [1H45:1H46]J2HH + [1H45,1H46:1H41,1H42]J3HH + [1H47:1H48]J2HH + [1H47,1H48:1H43,1H44]J3HH'] multiplets 4 ['InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1/fC10H16N3O6S/h11-13H/q-1', ' InChI=1/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2/t9-,10-,11-,12-/m0/s1/fC20H30N6O12S2/h21-22,27-28,33-34H/q-2'] 7 integer GSH+GSSG-4_8 ['InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1', ' InChI=1S/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2'] ['InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1/i1H2,2H2/fC10H16N3O6S/h11-13H/q-1', ' InChI=1/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2/t9-,10-,11-,12-/m0/s1/i1H2,2H2,3H2,4H2/fC20H30N6O12S2/h21-22,27-28,33-34H/q-2'] ['[1H23,1H24:C2]HResonance + [1H23:1H24]J2HH + [1H23,1H24:1H21,1H22]J3HH', ' [1H45,1H46:C3+1H47,1H48:C4]HResonance + [1H45:1H46]J2HH + [1H45,1H46:1H41,1H42]J3HH + [1H47:1H48]J2HH + [1H47,1H48:1H43,1H44]J3HH'] multiplets 4 ['InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1/fC10H16N3O6S/h11-13H/q-1', ' InChI=1/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2/t9-,10-,11-,12-/m0/s1/fC20H30N6O12S2/h21-22,27-28,33-34H/q-2'] 8 integer GSH+GSSG-4_9 ['InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1', ' InChI=1S/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2'] ['InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1/i1H2,2H2/fC10H16N3O6S/h11-13H/q-1', ' InChI=1/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2/t9-,10-,11-,12-/m0/s1/i1H2,2H2,3H2,4H2/fC20H30N6O12S2/h21-22,27-28,33-34H/q-2'] ['[1H23,1H24:C2]HResonance + [1H23:1H24]J2HH + [1H23,1H24:1H21,1H22]J3HH', ' [1H45,1H46:C3+1H47,1H48:C4]HResonance + [1H45:1H46]J2HH + [1H45,1H46:1H41,1H42]J3HH + [1H47:1H48]J2HH + [1H47,1H48:1H43,1H44]J3HH'] multiplets 4 ['InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1/fC10H16N3O6S/h11-13H/q-1', ' InChI=1/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2/t9-,10-,11-,12-/m0/s1/fC20H30N6O12S2/h21-22,27-28,33-34H/q-2'] 9 integer GSSG-12_1 InChI=1S/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2 InChI=1/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2/t9-,10-,11-,12-/m0/s1/i7H2,8H2,11H,12H/fC20H30N6O12S2/h21-22,27-28,33-34H/q-2 ['[1H59:C11+1H60:C12]HResonance + [1H59:1H53', '1H54]J3HH + [1H60:1H55', '1H56]J3HH'] q 0.5 InChI=1/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2/t9-,10-,11-,12-/m0/s1/fC20H30N6O12S2/h21-22,27-28,33-34H/q-2 1 integer GSSG-12_2 InChI=1S/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2 InChI=1/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2/t9-,10-,11-,12-/m0/s1/i7H2,8H2,11H,12H/fC20H30N6O12S2/h21-22,27-28,33-34H/q-2 ['[1H59:C11+1H60:C12]HResonance + [1H59:1H53', '1H54]J3HH + [1H60:1H55', '1H56]J3HH'] q 0.5 InChI=1/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2/t9-,10-,11-,12-/m0/s1/fC20H30N6O12S2/h21-22,27-28,33-34H/q-2 2 integer GSSG-12_3 InChI=1S/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2 InChI=1/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2/t9-,10-,11-,12-/m0/s1/i7H2,8H2,11H,12H/fC20H30N6O12S2/h21-22,27-28,33-34H/q-2 ['[1H59:C11+1H60:C12]HResonance + [1H59:1H53', '1H54]J3HH + [1H60:1H55', '1H56]J3HH'] q 0.5 InChI=1/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2/t9-,10-,11-,12-/m0/s1/fC20H30N6O12S2/h21-22,27-28,33-34H/q-2 3 integer GSSG-12_4 InChI=1S/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2 InChI=1/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2/t9-,10-,11-,12-/m0/s1/i7H2,8H2,11H,12H/fC20H30N6O12S2/h21-22,27-28,33-34H/q-2 ['[1H59:C11+1H60:C12]HResonance + [1H59:1H53', '1H54]J3HH + [1H60:1H55', '1H56]J3HH'] q 0.5 InChI=1/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2/t9-,10-,11-,12-/m0/s1/fC20H30N6O12S2/h21-22,27-28,33-34H/q-2 4 integer GSSG-12_5 InChI=1S/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2 InChI=1/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2/t9-,10-,11-,12-/m0/s1/i7H2,8H2,11H,12H/fC20H30N6O12S2/h21-22,27-28,33-34H/q-2 ['[1H59:C11+1H60:C12]HResonance + [1H59:1H53', '1H54]J3HH + [1H60:1H55', '1H56]J3HH'] q 0.5 InChI=1/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2/t9-,10-,11-,12-/m0/s1/fC20H30N6O12S2/h21-22,27-28,33-34H/q-2 5 integer GXP-1'_1 ['InChI=1/C10H14N5O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18)/p-2/t3-,5-,6-,9-/m1/s1 ', ' InChI=1/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)/p-3/t3-,5-,6-,9-/m1/s1 ', ' InChI=1/C10H16N5O14P3/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H3,11,13,14,18)/p-4/t3-,5-,6-,9-/m1/s1'] ['InChI=1/C10H14N5O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18)/p-2/t3-,5-,6-,9-/m1/s1/i6H,9H/fC10H12N5O8P/h11,13,18H/q-2/b11-10+ ', ' InChI=1/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)/p-3/t3-,5-,6-,9-/m1/s1/i6H,9H/fC10H12N5O11P2/h11,13,18H/q-3/b11-10+ ', ' InChI=1/C10H16N5O14P3/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H3,11,13,14,18)/p-4/t3-,5-,6-,9-/m1/s1/i6H,9H/fC10H12N5O14P3/h14H,11H2/q-4'] ['[1H31:C9]HResonance + [1H31:1H30]J3HH', ' [1H35:C9]HResonance + [1H35:1H34]J3HH', ' [1H39:C9]HResonance + [1H39:1H38]J3HH'] 1 ['InChI=1/C10H14N5O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18)/p-2/t3-,5-,6-,9-/m1/s1/fC10H12N5O8P/h11,13,18H/q-2/b11-10+ ', ' InChI=1/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)/p-3/t3-,5-,6-,9-/m1/s1/fC10H12N5O11P2/h11,13,18H/q-3/b11-10+ ', ' InChI=1/C10H16N5O14P3/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H3,11,13,14,18)/p-4/t3-,5-,6-,9-/m1/s1/fC10H12N5O14P3/h14H,11H2/q-4'] 1 integer GXP-1'_2 ['InChI=1/C10H14N5O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18)/p-2/t3-,5-,6-,9-/m1/s1 ', ' InChI=1/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)/p-3/t3-,5-,6-,9-/m1/s1 ', ' InChI=1/C10H16N5O14P3/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H3,11,13,14,18)/p-4/t3-,5-,6-,9-/m1/s1'] ['InChI=1/C10H14N5O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18)/p-2/t3-,5-,6-,9-/m1/s1/i6H,9H/fC10H12N5O8P/h11,13,18H/q-2/b11-10+ ', ' InChI=1/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)/p-3/t3-,5-,6-,9-/m1/s1/i6H,9H/fC10H12N5O11P2/h11,13,18H/q-3/b11-10+ ', ' InChI=1/C10H16N5O14P3/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H3,11,13,14,18)/p-4/t3-,5-,6-,9-/m1/s1/i6H,9H/fC10H12N5O14P3/h14H,11H2/q-4'] ['[1H31:C9]HResonance + [1H31:1H30]J3HH', ' [1H35:C9]HResonance + [1H35:1H34]J3HH', ' [1H39:C9]HResonance + [1H39:1H38]J3HH'] 1 ['InChI=1/C10H14N5O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18)/p-2/t3-,5-,6-,9-/m1/s1/fC10H12N5O8P/h11,13,18H/q-2/b11-10+ ', ' InChI=1/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)/p-3/t3-,5-,6-,9-/m1/s1/fC10H12N5O11P2/h11,13,18H/q-3/b11-10+ ', ' InChI=1/C10H16N5O14P3/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H3,11,13,14,18)/p-4/t3-,5-,6-,9-/m1/s1/fC10H12N5O14P3/h14H,11H2/q-4'] 2 integer Gln+Glu-2_1 ['InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1', ' InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1'] ['InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/i1H2,3H/f/h6-8H/b7-4+', ' InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/i1H2,3H/fC5H8NO4/h6H/q-1'] ['[1H15:C3]HResonance + [1H15:1H11,1H12]J3HH', ' [1H15:C3]HResonance + [1H15:1H11,1H12]J3HH'] triplet 3 ['InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/f/h6-8H/b7-4+', ' InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/fC5H8NO4/h6H/q-1'] 1 integer Gln+Glu-2_10 ['InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1', ' InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1'] ['InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/i1H2,3H/f/h6-8H/b7-4+', ' InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/i1H2,3H/fC5H8NO4/h6H/q-1'] ['[1H15:C3]HResonance + [1H15:1H11,1H12]J3HH', ' [1H15:C3]HResonance + [1H15:1H11,1H12]J3HH'] triplet 3 ['InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/f/h6-8H/b7-4+', ' InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/fC5H8NO4/h6H/q-1'] 10 integer Gln+Glu-2_11 ['InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1', ' InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1'] ['InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/i1H2,3H/f/h6-8H/b7-4+', ' InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/i1H2,3H/fC5H8NO4/h6H/q-1'] ['[1H15:C3]HResonance + [1H15:1H11,1H12]J3HH', ' [1H15:C3]HResonance + [1H15:1H11,1H12]J3HH'] triplet 3 ['InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/f/h6-8H/b7-4+', ' InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/fC5H8NO4/h6H/q-1'] 11 integer Gln+Glu-2_12 ['InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1', ' InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1'] ['InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/i1H2,3H/f/h6-8H/b7-4+', ' InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/i1H2,3H/fC5H8NO4/h6H/q-1'] ['[1H15:C3]HResonance + [1H15:1H11,1H12]J3HH', ' [1H15:C3]HResonance + [1H15:1H11,1H12]J3HH'] triplet 3 ['InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/f/h6-8H/b7-4+', ' InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/fC5H8NO4/h6H/q-1'] 12 integer Gln+Glu-2_13 ['InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1', ' InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1'] ['InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/i1H2,3H/f/h6-8H/b7-4+', ' InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/i1H2,3H/fC5H8NO4/h6H/q-1'] ['[1H15:C3]HResonance + [1H15:1H11,1H12]J3HH', ' [1H15:C3]HResonance + [1H15:1H11,1H12]J3HH'] triplet 3 ['InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/f/h6-8H/b7-4+', ' InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/fC5H8NO4/h6H/q-1'] 13 integer Gln+Glu-2_14 ['InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1', ' InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1'] ['InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/i1H2,3H/f/h6-8H/b7-4+', ' InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/i1H2,3H/fC5H8NO4/h6H/q-1'] ['[1H15:C3]HResonance + [1H15:1H11,1H12]J3HH', ' [1H15:C3]HResonance + [1H15:1H11,1H12]J3HH'] triplet 3 ['InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/f/h6-8H/b7-4+', ' InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/fC5H8NO4/h6H/q-1'] 14 integer Gln+Glu-2_15 ['InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1', ' InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1'] ['InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/i1H2,3H/f/h6-8H/b7-4+', ' InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/i1H2,3H/fC5H8NO4/h6H/q-1'] ['[1H15:C3]HResonance + [1H15:1H11,1H12]J3HH', ' [1H15:C3]HResonance + [1H15:1H11,1H12]J3HH'] triplet 3 ['InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/f/h6-8H/b7-4+', ' InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/fC5H8NO4/h6H/q-1'] 15 integer Gln+Glu-2_16 ['InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1', ' InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1'] ['InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/i1H2,3H/f/h6-8H/b7-4+', ' InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/i1H2,3H/fC5H8NO4/h6H/q-1'] ['[1H15:C3]HResonance + [1H15:1H11,1H12]J3HH', ' [1H15:C3]HResonance + [1H15:1H11,1H12]J3HH'] triplet 3 ['InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/f/h6-8H/b7-4+', ' InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/fC5H8NO4/h6H/q-1'] 16 integer Gln+Glu-2_2 ['InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1', ' InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1'] ['InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/i1H2,3H/f/h6-8H/b7-4+', ' InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/i1H2,3H/fC5H8NO4/h6H/q-1'] ['[1H15:C3]HResonance + [1H15:1H11,1H12]J3HH', ' [1H15:C3]HResonance + [1H15:1H11,1H12]J3HH'] triplet 3 ['InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/f/h6-8H/b7-4+', ' InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/fC5H8NO4/h6H/q-1'] 2 integer Gln+Glu-2_3 ['InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1', ' InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1'] ['InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/i1H2,3H/f/h6-8H/b7-4+', ' InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/i1H2,3H/fC5H8NO4/h6H/q-1'] ['[1H15:C3]HResonance + [1H15:1H11,1H12]J3HH', ' [1H15:C3]HResonance + [1H15:1H11,1H12]J3HH'] triplet 3 ['InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/f/h6-8H/b7-4+', ' InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/fC5H8NO4/h6H/q-1'] 3 integer Gln+Glu-2_4 ['InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1', ' InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1'] ['InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/i1H2,3H/f/h6-8H/b7-4+', ' InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/i1H2,3H/fC5H8NO4/h6H/q-1'] ['[1H15:C3]HResonance + [1H15:1H11,1H12]J3HH', ' [1H15:C3]HResonance + [1H15:1H11,1H12]J3HH'] triplet 3 ['InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/f/h6-8H/b7-4+', ' InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/fC5H8NO4/h6H/q-1'] 4 integer Gln+Glu-2_5 ['InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1', ' InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1'] ['InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/i1H2,3H/f/h6-8H/b7-4+', ' InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/i1H2,3H/fC5H8NO4/h6H/q-1'] ['[1H15:C3]HResonance + [1H15:1H11,1H12]J3HH', ' [1H15:C3]HResonance + [1H15:1H11,1H12]J3HH'] triplet 3 ['InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/f/h6-8H/b7-4+', ' InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/fC5H8NO4/h6H/q-1'] 5 integer Gln+Glu-2_6 ['InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1', ' InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1'] ['InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/i1H2,3H/f/h6-8H/b7-4+', ' InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/i1H2,3H/fC5H8NO4/h6H/q-1'] ['[1H15:C3]HResonance + [1H15:1H11,1H12]J3HH', ' [1H15:C3]HResonance + [1H15:1H11,1H12]J3HH'] triplet 3 ['InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/f/h6-8H/b7-4+', ' InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/fC5H8NO4/h6H/q-1'] 6 integer Gln+Glu-2_7 ['InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1', ' InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1'] ['InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/i1H2,3H/f/h6-8H/b7-4+', ' InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/i1H2,3H/fC5H8NO4/h6H/q-1'] ['[1H15:C3]HResonance + [1H15:1H11,1H12]J3HH', ' [1H15:C3]HResonance + [1H15:1H11,1H12]J3HH'] triplet 3 ['InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/f/h6-8H/b7-4+', ' InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/fC5H8NO4/h6H/q-1'] 7 integer Gln+Glu-2_8 ['InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1', ' InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1'] ['InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/i1H2,3H/f/h6-8H/b7-4+', ' InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/i1H2,3H/fC5H8NO4/h6H/q-1'] ['[1H15:C3]HResonance + [1H15:1H11,1H12]J3HH', ' [1H15:C3]HResonance + [1H15:1H11,1H12]J3HH'] triplet 3 ['InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/f/h6-8H/b7-4+', ' InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/fC5H8NO4/h6H/q-1'] 8 integer Gln+Glu-2_9 ['InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1', ' InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1'] ['InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/i1H2,3H/f/h6-8H/b7-4+', ' InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/i1H2,3H/fC5H8NO4/h6H/q-1'] ['[1H15:C3]HResonance + [1H15:1H11,1H12]J3HH', ' [1H15:C3]HResonance + [1H15:1H11,1H12]J3HH'] triplet 3 ['InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/f/h6-8H/b7-4+', ' InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/fC5H8NO4/h6H/q-1'] 9 integer Gln-3_1 InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1 InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/i1H2,2H2,3H/f/h6-8H/b7-4+ ['[1H11', '1H12:C1]HResonance + [1H11', '1H12:1H13', '1H14]J3HH + [1H11', '1H12:1H15]J3HH'] multiplets 2 InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/f/h6-8H/b7-4+ 1 integer Gln-3_2 InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1 InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/i1H2,2H2,3H/f/h6-8H/b7-4+ ['[1H11', '1H12:C1]HResonance + [1H11', '1H12:1H13', '1H14]J3HH + [1H11', '1H12:1H15]J3HH'] multiplets 2 InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/f/h6-8H/b7-4+ 2 integer Gln-3_3 InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1 InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/i1H2,2H2,3H/f/h6-8H/b7-4+ ['[1H11', '1H12:C1]HResonance + [1H11', '1H12:1H13', '1H14]J3HH + [1H11', '1H12:1H15]J3HH'] multiplets 2 InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/f/h6-8H/b7-4+ 3 integer Gln-4_1 InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1 InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/i1H2,2H2/f/h6-8H/b7-4+ ['[1H13', '1H14:C2]HResonance + [1H13', '1H14:1H11', '1H12]J3HH'] ddd 2 InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/f/h6-8H/b7-4+ 1 integer Gln-4_2 InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1 InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/i1H2,2H2/f/h6-8H/b7-4+ ['[1H13', '1H14:C2]HResonance + [1H13', '1H14:1H11', '1H12]J3HH'] ddd 2 InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/f/h6-8H/b7-4+ 2 integer Gln-4_3 InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1 InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/i1H2,2H2/f/h6-8H/b7-4+ ['[1H13', '1H14:C2]HResonance + [1H13', '1H14:1H11', '1H12]J3HH'] ddd 2 InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/f/h6-8H/b7-4+ 3 integer Gln-4_4 InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1 InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/i1H2,2H2/f/h6-8H/b7-4+ ['[1H13', '1H14:C2]HResonance + [1H13', '1H14:1H11', '1H12]J3HH'] ddd 2 InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/f/h6-8H/b7-4+ 4 integer Gln-4_5 InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1 InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/i1H2,2H2/f/h6-8H/b7-4+ ['[1H13', '1H14:C2]HResonance + [1H13', '1H14:1H11', '1H12]J3HH'] ddd 2 InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/f/h6-8H/b7-4+ 5 integer Gln-4_6 InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1 InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/i1H2,2H2/f/h6-8H/b7-4+ ['[1H13', '1H14:C2]HResonance + [1H13', '1H14:1H11', '1H12]J3HH'] ddd 2 InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/f/h6-8H/b7-4+ 6 integer Gln-4_7 InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1 InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/i1H2,2H2/f/h6-8H/b7-4+ ['[1H13', '1H14:C2]HResonance + [1H13', '1H14:1H11', '1H12]J3HH'] ddd 2 InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/f/h6-8H/b7-4+ 7 integer Gln-4_8 InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1 InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/i1H2,2H2/f/h6-8H/b7-4+ ['[1H13', '1H14:C2]HResonance + [1H13', '1H14:1H11', '1H12]J3HH'] ddd 2 InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/f/h6-8H/b7-4+ 8 integer Glu-3-a_1 InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1 InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/i1H2,2H2,3H/fC5H8NO4/h6H/q-1 ['[1H11', '1H12:C1]HResonance + [1H11:1H12]J2HH + [1H11', '1H12:1H13', '1H14]J3HH + [1H11', '1H12:1H15]J3HH'] multiplets 1 InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/fC5H8NO4/h6H/q-1 1 integer Glu-3-a_10 InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1 InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/i1H2,2H2,3H/fC5H8NO4/h6H/q-1 ['[1H11', '1H12:C1]HResonance + [1H11:1H12]J2HH + [1H11', '1H12:1H13', '1H14]J3HH + [1H11', '1H12:1H15]J3HH'] multiplets 1 InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/fC5H8NO4/h6H/q-1 10 integer Glu-3-a_11 InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1 InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/i1H2,2H2,3H/fC5H8NO4/h6H/q-1 ['[1H11', '1H12:C1]HResonance + [1H11:1H12]J2HH + [1H11', '1H12:1H13', '1H14]J3HH + [1H11', '1H12:1H15]J3HH'] multiplets 1 InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/fC5H8NO4/h6H/q-1 11 integer Glu-3-a_12 InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1 InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/i1H2,2H2,3H/fC5H8NO4/h6H/q-1 ['[1H11', '1H12:C1]HResonance + [1H11:1H12]J2HH + [1H11', '1H12:1H13', '1H14]J3HH + [1H11', '1H12:1H15]J3HH'] multiplets 1 InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/fC5H8NO4/h6H/q-1 12 integer Glu-3-a_13 InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1 InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/i1H2,2H2,3H/fC5H8NO4/h6H/q-1 ['[1H11', '1H12:C1]HResonance + [1H11:1H12]J2HH + [1H11', '1H12:1H13', '1H14]J3HH + [1H11', '1H12:1H15]J3HH'] multiplets 1 InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/fC5H8NO4/h6H/q-1 13 integer Glu-3-a_14 InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1 InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/i1H2,2H2,3H/fC5H8NO4/h6H/q-1 ['[1H11', '1H12:C1]HResonance + [1H11:1H12]J2HH + [1H11', '1H12:1H13', '1H14]J3HH + [1H11', '1H12:1H15]J3HH'] multiplets 1 InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/fC5H8NO4/h6H/q-1 14 integer Glu-3-a_2 InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1 InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/i1H2,2H2,3H/fC5H8NO4/h6H/q-1 ['[1H11', '1H12:C1]HResonance + [1H11:1H12]J2HH + [1H11', '1H12:1H13', '1H14]J3HH + [1H11', '1H12:1H15]J3HH'] multiplets 1 InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/fC5H8NO4/h6H/q-1 2 integer Glu-3-a_3 InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1 InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/i1H2,2H2,3H/fC5H8NO4/h6H/q-1 ['[1H11', '1H12:C1]HResonance + [1H11:1H12]J2HH + [1H11', '1H12:1H13', '1H14]J3HH + [1H11', '1H12:1H15]J3HH'] multiplets 1 InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/fC5H8NO4/h6H/q-1 3 integer Glu-3-a_4 InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1 InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/i1H2,2H2,3H/fC5H8NO4/h6H/q-1 ['[1H11', '1H12:C1]HResonance + [1H11:1H12]J2HH + [1H11', '1H12:1H13', '1H14]J3HH + [1H11', '1H12:1H15]J3HH'] multiplets 1 InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/fC5H8NO4/h6H/q-1 4 integer Glu-3-a_5 InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1 InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/i1H2,2H2,3H/fC5H8NO4/h6H/q-1 ['[1H11', '1H12:C1]HResonance + [1H11:1H12]J2HH + [1H11', '1H12:1H13', '1H14]J3HH + [1H11', '1H12:1H15]J3HH'] multiplets 1 InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/fC5H8NO4/h6H/q-1 5 integer Glu-3-a_6 InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1 InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/i1H2,2H2,3H/fC5H8NO4/h6H/q-1 ['[1H11', '1H12:C1]HResonance + [1H11:1H12]J2HH + [1H11', '1H12:1H13', '1H14]J3HH + [1H11', '1H12:1H15]J3HH'] multiplets 1 InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/fC5H8NO4/h6H/q-1 6 integer Glu-3-a_7 InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1 InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/i1H2,2H2,3H/fC5H8NO4/h6H/q-1 ['[1H11', '1H12:C1]HResonance + [1H11:1H12]J2HH + [1H11', '1H12:1H13', '1H14]J3HH + [1H11', '1H12:1H15]J3HH'] multiplets 1 InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/fC5H8NO4/h6H/q-1 7 integer Glu-3-a_8 InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1 InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/i1H2,2H2,3H/fC5H8NO4/h6H/q-1 ['[1H11', '1H12:C1]HResonance + [1H11:1H12]J2HH + [1H11', '1H12:1H13', '1H14]J3HH + [1H11', '1H12:1H15]J3HH'] multiplets 1 InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/fC5H8NO4/h6H/q-1 8 integer Glu-3-a_9 InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1 InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/i1H2,2H2,3H/fC5H8NO4/h6H/q-1 ['[1H11', '1H12:C1]HResonance + [1H11:1H12]J2HH + [1H11', '1H12:1H13', '1H14]J3HH + [1H11', '1H12:1H15]J3HH'] multiplets 1 InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/fC5H8NO4/h6H/q-1 9 integer Glu-3-b_1 InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1 InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/i1H2,2H2,3H/fC5H8NO4/h6H/q-1 ['[1H11', '1H12:C1]HResonance + [1H11:1H12]J2HH + [1H11', '1H12:1H13', '1H14]J3HH + [1H11', '1H12:1H15]J3HH'] multiplets 1 InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/fC5H8NO4/h6H/q-1 1 integer Glu-3-b_2 InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1 InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/i1H2,2H2,3H/fC5H8NO4/h6H/q-1 ['[1H11', '1H12:C1]HResonance + [1H11:1H12]J2HH + [1H11', '1H12:1H13', '1H14]J3HH + [1H11', '1H12:1H15]J3HH'] multiplets 1 InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/fC5H8NO4/h6H/q-1 2 integer Glu-3-b_3 InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1 InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/i1H2,2H2,3H/fC5H8NO4/h6H/q-1 ['[1H11', '1H12:C1]HResonance + [1H11:1H12]J2HH + [1H11', '1H12:1H13', '1H14]J3HH + [1H11', '1H12:1H15]J3HH'] multiplets 1 InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/fC5H8NO4/h6H/q-1 3 integer Glu-3-b_4 InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1 InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/i1H2,2H2,3H/fC5H8NO4/h6H/q-1 ['[1H11', '1H12:C1]HResonance + [1H11:1H12]J2HH + [1H11', '1H12:1H13', '1H14]J3HH + [1H11', '1H12:1H15]J3HH'] multiplets 1 InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/fC5H8NO4/h6H/q-1 4 integer Glu-3-b_5 InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1 InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/i1H2,2H2,3H/fC5H8NO4/h6H/q-1 ['[1H11', '1H12:C1]HResonance + [1H11:1H12]J2HH + [1H11', '1H12:1H13', '1H14]J3HH + [1H11', '1H12:1H15]J3HH'] multiplets 1 InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/fC5H8NO4/h6H/q-1 5 integer Glu-3-b_6 InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1 InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/i1H2,2H2,3H/fC5H8NO4/h6H/q-1 ['[1H11', '1H12:C1]HResonance + [1H11:1H12]J2HH + [1H11', '1H12:1H13', '1H14]J3HH + [1H11', '1H12:1H15]J3HH'] multiplets 1 InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/fC5H8NO4/h6H/q-1 6 integer Glu-3-b_7 InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1 InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/i1H2,2H2,3H/fC5H8NO4/h6H/q-1 ['[1H11', '1H12:C1]HResonance + [1H11:1H12]J2HH + [1H11', '1H12:1H13', '1H14]J3HH + [1H11', '1H12:1H15]J3HH'] multiplets 1 InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/fC5H8NO4/h6H/q-1 7 integer Glu-3-b_8 InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1 InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/i1H2,2H2,3H/fC5H8NO4/h6H/q-1 ['[1H11', '1H12:C1]HResonance + [1H11:1H12]J2HH + [1H11', '1H12:1H13', '1H14]J3HH + [1H11', '1H12:1H15]J3HH'] multiplets 1 InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/fC5H8NO4/h6H/q-1 8 integer Glu-4_1 InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1 InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/i1H2,2H2/fC5H8NO4/h6H/q-1 ['[1H13', '1H14:C2]HResonance + [1H13:1H14]J2HH + [1H13', '1H14:1H11', '1H12]J3HH'] multiplets 2 InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/fC5H8NO4/h6H/q-1 1 integer Glu-4_10 InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1 InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/i1H2,2H2/fC5H8NO4/h6H/q-1 ['[1H13', '1H14:C2]HResonance + [1H13:1H14]J2HH + [1H13', '1H14:1H11', '1H12]J3HH'] multiplets 2 InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/fC5H8NO4/h6H/q-1 10 integer Glu-4_2 InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1 InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/i1H2,2H2/fC5H8NO4/h6H/q-1 ['[1H13', '1H14:C2]HResonance + [1H13:1H14]J2HH + [1H13', '1H14:1H11', '1H12]J3HH'] multiplets 2 InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/fC5H8NO4/h6H/q-1 2 integer Glu-4_3 InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1 InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/i1H2,2H2/fC5H8NO4/h6H/q-1 ['[1H13', '1H14:C2]HResonance + [1H13:1H14]J2HH + [1H13', '1H14:1H11', '1H12]J3HH'] multiplets 2 InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/fC5H8NO4/h6H/q-1 3 integer Glu-4_4 InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1 InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/i1H2,2H2/fC5H8NO4/h6H/q-1 ['[1H13', '1H14:C2]HResonance + [1H13:1H14]J2HH + [1H13', '1H14:1H11', '1H12]J3HH'] multiplets 2 InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/fC5H8NO4/h6H/q-1 4 integer Glu-4_5 InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1 InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/i1H2,2H2/fC5H8NO4/h6H/q-1 ['[1H13', '1H14:C2]HResonance + [1H13:1H14]J2HH + [1H13', '1H14:1H11', '1H12]J3HH'] multiplets 2 InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/fC5H8NO4/h6H/q-1 5 integer Glu-4_6 InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1 InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/i1H2,2H2/fC5H8NO4/h6H/q-1 ['[1H13', '1H14:C2]HResonance + [1H13:1H14]J2HH + [1H13', '1H14:1H11', '1H12]J3HH'] multiplets 2 InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/fC5H8NO4/h6H/q-1 6 integer Glu-4_7 InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1 InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/i1H2,2H2/fC5H8NO4/h6H/q-1 ['[1H13', '1H14:C2]HResonance + [1H13:1H14]J2HH + [1H13', '1H14:1H11', '1H12]J3HH'] multiplets 2 InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/fC5H8NO4/h6H/q-1 7 integer Glu-4_8 InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1 InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/i1H2,2H2/fC5H8NO4/h6H/q-1 ['[1H13', '1H14:C2]HResonance + [1H13:1H14]J2HH + [1H13', '1H14:1H11', '1H12]J3HH'] multiplets 2 InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/fC5H8NO4/h6H/q-1 8 integer Glu-4_9 InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1 InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/i1H2,2H2/fC5H8NO4/h6H/q-1 ['[1H13', '1H14:C2]HResonance + [1H13:1H14]J2HH + [1H13', '1H14:1H11', '1H12]J3HH'] multiplets 2 InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/fC5H8NO4/h6H/q-1 9 integer Gly_1 InChI=1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5) InChI=1/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)/i1H2/f/h3H ['[1H6', '1H7:C1]HResonance'] singlet 2 InChI=1/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)/f/h3H 1 integer Glycogen_1 InChI=1S/C24H42O21/c25-1-5-9(28)11(30)16(35)22(41-5)39-4-8-20(45-23-17(36)12(31)10(29)6(2-26)42-23)14(33)18(37)24(43-8)44-19-7(3-27)40-21(38)15(34)13(19)32/h5-38H,1-4H2/t5-,6-,7-,8-,9-,10-,11+,12+,13-,14-,15-,16-,17-,18-,19-,20-,21+,22+,23-,24-/m1/s1 InChI=1S/C24H42O21/c25-1-5-9(28)11(30)16(35)22(41-5)39-4-8-20(45-23-17(36)12(31)10(29)6(2-26)42-23)14(33)18(37)24(43-8)44-19-7(3-27)40-21(38)15(34)13(19)32/h5-38H,1-4H2/t5-,6-,7-,8-,9-,10-,11+,12+,13-,14-,15-,16-,17-,18-,19-,20-,21+,22+,23-,24-/m1/s1/i17H,23H [1H72:C23]HResonance + [1H72:1H66]J3HH multiplets 1 InChI=1S/C24H42O21/c25-1-5-9(28)11(30)16(35)22(41-5)39-4-8-20(45-23-17(36)12(31)10(29)6(2-26)42-23)14(33)18(37)24(43-8)44-19-7(3-27)40-21(38)15(34)13(19)32/h5-38H,1-4H2/t5-,6-,7-,8-,9-,10-,11+,12+,13-,14-,15-,16-,17-,18-,19-,20-,21+,22+,23-,24-/m1/s1 1 integer Glycogen_2 InChI=1S/C24H42O21/c25-1-5-9(28)11(30)16(35)22(41-5)39-4-8-20(45-23-17(36)12(31)10(29)6(2-26)42-23)14(33)18(37)24(43-8)44-19-7(3-27)40-21(38)15(34)13(19)32/h5-38H,1-4H2/t5-,6-,7-,8-,9-,10-,11+,12+,13-,14-,15-,16-,17-,18-,19-,20-,21+,22+,23-,24-/m1/s1 InChI=1S/C24H42O21/c25-1-5-9(28)11(30)16(35)22(41-5)39-4-8-20(45-23-17(36)12(31)10(29)6(2-26)42-23)14(33)18(37)24(43-8)44-19-7(3-27)40-21(38)15(34)13(19)32/h5-38H,1-4H2/t5-,6-,7-,8-,9-,10-,11+,12+,13-,14-,15-,16-,17-,18-,19-,20-,21+,22+,23-,24-/m1/s1/i17H,23H [1H72:C23]HResonance + [1H72:1H66]J3HH multiplets 1 InChI=1S/C24H42O21/c25-1-5-9(28)11(30)16(35)22(41-5)39-4-8-20(45-23-17(36)12(31)10(29)6(2-26)42-23)14(33)18(37)24(43-8)44-19-7(3-27)40-21(38)15(34)13(19)32/h5-38H,1-4H2/t5-,6-,7-,8-,9-,10-,11+,12+,13-,14-,15-,16-,17-,18-,19-,20-,21+,22+,23-,24-/m1/s1 2 integer Glycogen_3 InChI=1S/C24H42O21/c25-1-5-9(28)11(30)16(35)22(41-5)39-4-8-20(45-23-17(36)12(31)10(29)6(2-26)42-23)14(33)18(37)24(43-8)44-19-7(3-27)40-21(38)15(34)13(19)32/h5-38H,1-4H2/t5-,6-,7-,8-,9-,10-,11+,12+,13-,14-,15-,16-,17-,18-,19-,20-,21+,22+,23-,24-/m1/s1 InChI=1S/C24H42O21/c25-1-5-9(28)11(30)16(35)22(41-5)39-4-8-20(45-23-17(36)12(31)10(29)6(2-26)42-23)14(33)18(37)24(43-8)44-19-7(3-27)40-21(38)15(34)13(19)32/h5-38H,1-4H2/t5-,6-,7-,8-,9-,10-,11+,12+,13-,14-,15-,16-,17-,18-,19-,20-,21+,22+,23-,24-/m1/s1/i17H,23H [1H72:C23]HResonance + [1H72:1H66]J3HH multiplets 1 InChI=1S/C24H42O21/c25-1-5-9(28)11(30)16(35)22(41-5)39-4-8-20(45-23-17(36)12(31)10(29)6(2-26)42-23)14(33)18(37)24(43-8)44-19-7(3-27)40-21(38)15(34)13(19)32/h5-38H,1-4H2/t5-,6-,7-,8-,9-,10-,11+,12+,13-,14-,15-,16-,17-,18-,19-,20-,21+,22+,23-,24-/m1/s1 3 integer Ile_1 InChI=1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5-/m0/s1 InChI=1/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5-/m0/s1/i2H3,4H/f/h7H ['[1H13', '1H14', '1H15:C2]HResonance + [1H13', '1H14', '1H15:1H18]J3HH'] doublets 3 InChI=1/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5-/m0/s1/f/h7H 1 integer Ile_2 InChI=1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5-/m0/s1 InChI=1/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5-/m0/s1/i2H3,4H/f/h7H ['[1H13', '1H14', '1H15:C2]HResonance + [1H13', '1H14', '1H15:1H18]J3HH'] doublets 3 InChI=1/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5-/m0/s1/f/h7H 2 integer Inosine-1'_1 InChI=1S/C10H12N4O5/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18/h2-4,6-7,10,15-17H,1H2,(H,11,12,18)/t4-,6-,7-,10-/m1/s1 InChI=1S/C10H12N4O5/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18/h2-4,6-7,10,15-17H,1H2,(H,11,12,18)/t4-,6-,7-,10-/m1/s1/i7H,10H [1H27:C10]HResonance + [1H27:1H26]J3HH doublets 1 InChI=1/C10H12N4O5/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18/h2-4,6-7,10,15-17H,1H2,(H,11,12,18)/t4-,6-,7-,10-/m1/s1/f/h11H 1 integer Inosine-1'_2 InChI=1S/C10H12N4O5/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18/h2-4,6-7,10,15-17H,1H2,(H,11,12,18)/t4-,6-,7-,10-/m1/s1 InChI=1S/C10H12N4O5/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18/h2-4,6-7,10,15-17H,1H2,(H,11,12,18)/t4-,6-,7-,10-/m1/s1/i7H,10H [1H27:C10]HResonance + [1H27:1H26]J3HH doublets 1 InChI=1/C10H12N4O5/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18/h2-4,6-7,10,15-17H,1H2,(H,11,12,18)/t4-,6-,7-,10-/m1/s1/f/h11H 2 integer Itaconate-5a_1 InChI=1S/C5H6O4/c1-3(5(8)9)2-4(6)7/h1-2H2,(H,6,7)(H,8,9)/p-2 InChI=1/C5H6O4/c1-3(5(8)9)2-4(6)7/h1-2H2,(H,6,7)(H,8,9)/p-2/i1H2/fC5H4O4/q-2 ['[1H10', '1H11:C1]HResonance + [1H10:1H11]J2HH'] singlet 1 InChI=1S/C5H6O4/c1-3(5(8)9)2-4(6)7/h1-2H2,(H,6,7)(H,8,9)/p-2 1 integer Lac-2 13C-B_1 InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1 InChI=1/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1/t2-/m0/s1/i1H3,2+1H/fC3H5O3/q-1 ['[1H10:C2]HResonance + [1H10:13C2]J1CH + [1H10:1H7', '1H8', '1H9]J3HH'] multiplets 0.5 InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1 1 integer Lac-2 13C-B_2 InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1 InChI=1/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1/t2-/m0/s1/i1H3,2+1H/fC3H5O3/q-1 ['[1H10:C2]HResonance + [1H10:13C2]J1CH + [1H10:1H7', '1H8', '1H9]J3HH'] multiplets 0.5 InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1 2 integer Lac-2 13C-B_3 InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1 InChI=1/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1/t2-/m0/s1/i1H3,2+1H/fC3H5O3/q-1 ['[1H10:C2]HResonance + [1H10:13C2]J1CH + [1H10:1H7', '1H8', '1H9]J3HH'] multiplets 0.5 InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1 3 integer Lac-2 13C-B_4 InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1 InChI=1/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1/t2-/m0/s1/i1H3,2+1H/fC3H5O3/q-1 ['[1H10:C2]HResonance + [1H10:13C2]J1CH + [1H10:1H7', '1H8', '1H9]J3HH'] multiplets 0.5 InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1 4 integer Lac-2 13C-B_5 InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1 InChI=1/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1/t2-/m0/s1/i1H3,2+1H/fC3H5O3/q-1 ['[1H10:C2]HResonance + [1H10:13C2]J1CH + [1H10:1H7', '1H8', '1H9]J3HH'] multiplets 0.5 InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1 5 integer Lac-2 13C-B_6 InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1 InChI=1/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1/t2-/m0/s1/i1H3,2+1H/fC3H5O3/q-1 ['[1H10:C2]HResonance + [1H10:13C2]J1CH + [1H10:1H7', '1H8', '1H9]J3HH'] multiplets 0.5 InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1 6 integer Lac-2 13C-B_7 InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1 InChI=1/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1/t2-/m0/s1/i1H3,2+1H/fC3H5O3/q-1 ['[1H10:C2]HResonance + [1H10:13C2]J1CH + [1H10:1H7', '1H8', '1H9]J3HH'] multiplets 0.5 InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1 7 integer Lac-2 13C-B_8 InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1 InChI=1/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1/t2-/m0/s1/i1H3,2+1H/fC3H5O3/q-1 ['[1H10:C2]HResonance + [1H10:13C2]J1CH + [1H10:1H7', '1H8', '1H9]J3HH'] multiplets 0.5 InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1 8 integer Lac-2 13C-B_9 InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1 InChI=1/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1/t2-/m0/s1/i1H3,2+1H/fC3H5O3/q-1 ['[1H10:C2]HResonance + [1H10:13C2]J1CH + [1H10:1H7', '1H8', '1H9]J3HH'] multiplets 0.5 InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1 9 integer Lac-2_1 InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1 InChI=1/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1/t2-/m0/s1/i1H3,2H/fC3H5O3/q-1 ['[1H10:C2]HResonance + [1H10:1H7', '1H8', '1H9]J3HH'] quatet 1 InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1 1 integer Lac-2_2 InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1 InChI=1/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1/t2-/m0/s1/i1H3,2H/fC3H5O3/q-1 ['[1H10:C2]HResonance + [1H10:1H7', '1H8', '1H9]J3HH'] quatet 1 InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1 2 integer Lac-2_3 InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1 InChI=1/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1/t2-/m0/s1/i1H3,2H/fC3H5O3/q-1 ['[1H10:C2]HResonance + [1H10:1H7', '1H8', '1H9]J3HH'] quatet 1 InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1 3 integer Lac-2_4 InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1 InChI=1/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1/t2-/m0/s1/i1H3,2H/fC3H5O3/q-1 ['[1H10:C2]HResonance + [1H10:1H7', '1H8', '1H9]J3HH'] quatet 1 InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1 4 integer Lac-3_1 InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1 InChI=1/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1/t2-/m0/s1/i1H3,2H/fC3H5O3/q-1 ['[1H7', '1H8', '1H9:C1]HResonance + [1H7', '1H8', '1H9:1H10]J3HH'] doublets 3 InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1 1 integer Lac-3_2 InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1 InChI=1/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1/t2-/m0/s1/i1H3,2H/fC3H5O3/q-1 ['[1H7', '1H8', '1H9:C1]HResonance + [1H7', '1H8', '1H9:1H10]J3HH'] doublets 3 InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1 2 integer Lac-3_3 InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1 InChI=1/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1/t2-/m0/s1/i1H3,2H/fC3H5O3/q-1 ['[1H7', '1H8', '1H9:C1]HResonance + [1H7', '1H8', '1H9:1H10]J3HH'] doublets 3 InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1 3 integer Lac13C-A_1 InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1 InChI=1/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1/t2-/m0/s1/i1+1H3/fC3H5O3/q-1 ['[1H7', '1H8', '1H9:C1]HResonance + [1H7', '1H8', '1H9:13C1]J1CH'] ddd 1.5 InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1 1 integer Lac13C-A_2 InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1 InChI=1/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1/t2-/m0/s1/i1+1H3/fC3H5O3/q-1 ['[1H7', '1H8', '1H9:C1]HResonance + [1H7', '1H8', '1H9:13C1]J1CH'] ddd 1.5 InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1 2 integer Lac13C-A_3 InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1 InChI=1/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1/t2-/m0/s1/i1+1H3/fC3H5O3/q-1 ['[1H7', '1H8', '1H9:C1]HResonance + [1H7', '1H8', '1H9:13C1]J1CH'] ddd 1.5 InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1 3 integer Lac13C-A_4 InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1 InChI=1/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1/t2-/m0/s1/i1+1H3/fC3H5O3/q-1 ['[1H7', '1H8', '1H9:C1]HResonance + [1H7', '1H8', '1H9:13C1]J1CH'] ddd 1.5 InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1 4 integer Lac13C-A_5 InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1 InChI=1/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1/t2-/m0/s1/i1+1H3/fC3H5O3/q-1 ['[1H7', '1H8', '1H9:C1]HResonance + [1H7', '1H8', '1H9:13C1]J1CH'] ddd 1.5 InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1 5 integer Lac13C-A_6 InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1 InChI=1/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1/t2-/m0/s1/i1+1H3/fC3H5O3/q-1 ['[1H7', '1H8', '1H9:C1]HResonance + [1H7', '1H8', '1H9:13C1]J1CH'] ddd 1.5 InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1 6 integer Lac13C-A_7 InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1 InChI=1/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1/t2-/m0/s1/i1+1H3/fC3H5O3/q-1 ['[1H7', '1H8', '1H9:C1]HResonance + [1H7', '1H8', '1H9:13C1]J1CH'] ddd 1.5 InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1 7 integer Lac13C-A_8 InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1 InChI=1/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1/t2-/m0/s1/i1+1H3/fC3H5O3/q-1 ['[1H7', '1H8', '1H9:C1]HResonance + [1H7', '1H8', '1H9:13C1]J1CH'] ddd 1.5 InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1 8 integer Lac13C-B_1 InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1 InChI=1/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1/t2-/m0/s1/i1+1H3/fC3H5O3/q-1 ['[1H7', '1H8', '1H9:C1]HResonance + [1H7', '1H8', '1H9:13C1]J1CH'] ddd 1.5 InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1 1 integer Lac13C-B_2 InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1 InChI=1/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1/t2-/m0/s1/i1+1H3/fC3H5O3/q-1 ['[1H7', '1H8', '1H9:C1]HResonance + [1H7', '1H8', '1H9:13C1]J1CH'] ddd 1.5 InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1 2 integer Lac13C-B_3 InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1 InChI=1/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1/t2-/m0/s1/i1+1H3/fC3H5O3/q-1 ['[1H7', '1H8', '1H9:C1]HResonance + [1H7', '1H8', '1H9:13C1]J1CH'] ddd 1.5 InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1 3 integer Lac13C-B_4 InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1 InChI=1/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1/t2-/m0/s1/i1+1H3/fC3H5O3/q-1 ['[1H7', '1H8', '1H9:C1]HResonance + [1H7', '1H8', '1H9:13C1]J1CH'] ddd 1.5 InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1 4 integer Lac13C-B_5 InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1 InChI=1/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1/t2-/m0/s1/i1+1H3/fC3H5O3/q-1 ['[1H7', '1H8', '1H9:C1]HResonance + [1H7', '1H8', '1H9:13C1]J1CH'] ddd 1.5 InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1 5 integer Lac13C-B_6 InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1 InChI=1/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1/t2-/m0/s1/i1+1H3/fC3H5O3/q-1 ['[1H7', '1H8', '1H9:C1]HResonance + [1H7', '1H8', '1H9:13C1]J1CH'] ddd 1.5 InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1 6 integer Lac13C-B_7 InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1 InChI=1/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1/t2-/m0/s1/i1+1H3/fC3H5O3/q-1 ['[1H7', '1H8', '1H9:C1]HResonance + [1H7', '1H8', '1H9:13C1]J1CH'] ddd 1.5 InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1 7 integer Lac13C-B_8 InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1 InChI=1/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1/t2-/m0/s1/i1+1H3/fC3H5O3/q-1 ['[1H7', '1H8', '1H9:C1]HResonance + [1H7', '1H8', '1H9:13C1]J1CH'] ddd 1.5 InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1 8 integer Me-His A_1 InChI=1S/C7H11N3O2/c1-10-4-9-3-5(10)2-6(8)7(11)12/h3-4,6H,2,8H2,1H3,(H,11,12)/t6-/m0/s1 InChI=1/C7H11N3O2/c1-10-4-9-3-5(10)2-6(8)7(11)12/h3-4,6H,2,8H2,1H3,(H,11,12)/t6-/m0/s1/i4H/f/h8H [1H19:C4]HResonance singlet 1 InChI=1/C7H11N3O2/c1-10-4-9-3-5(10)2-6(8)7(11)12/h3-4,6H,2,8H2,1H3,(H,11,12)/t6-/m0/s1/f/h8H 1 integer Me-His B_1 InChI=1S/C7H11N3O2/c1-10-4-9-3-5(10)2-6(8)7(11)12/h3-4,6H,2,8H2,1H3,(H,11,12)/t6-/m0/s1 InChI=1/C7H11N3O2/c1-10-4-9-3-5(10)2-6(8)7(11)12/h3-4,6H,2,8H2,1H3,(H,11,12)/t6-/m0/s1/i3H/f/h8H [1H18:C3]HResonance singlet 1 InChI=1/C7H11N3O2/c1-10-4-9-3-5(10)2-6(8)7(11)12/h3-4,6H,2,8H2,1H3,(H,11,12)/t6-/m0/s1/f/h8H 1 integer Me-His B_2 InChI=1S/C7H11N3O2/c1-10-4-9-3-5(10)2-6(8)7(11)12/h3-4,6H,2,8H2,1H3,(H,11,12)/t6-/m0/s1 InChI=1/C7H11N3O2/c1-10-4-9-3-5(10)2-6(8)7(11)12/h3-4,6H,2,8H2,1H3,(H,11,12)/t6-/m0/s1/i3H/f/h8H [1H18:C3]HResonance singlet 1 InChI=1/C7H11N3O2/c1-10-4-9-3-5(10)2-6(8)7(11)12/h3-4,6H,2,8H2,1H3,(H,11,12)/t6-/m0/s1/f/h8H 2 integer Met-CH3_1 InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1 InChI=1/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1/i1H3/f/h6H ['[1H10', '1H11', '1H12:C1]HResonance'] singlet 3 InChI=1/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1/f/h6H 1 integer NAD+-A1'_1 InChI=1S/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/p+1/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1 InChI=1/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/p+1/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1/i16H,21H/fC21H28N7O14P2/h34,36H,22-23H2/q+1 [1H62:C21]HResonance + [1H62:1H60]J3HH doublets 1 InChI=1/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/p+1/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1/fC21H28N7O14P2/h34,36H,22-23H2/q+1 1 integer NAD+-A1'_2 InChI=1S/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/p+1/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1 InChI=1/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/p+1/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1/i16H,21H/fC21H28N7O14P2/h34,36H,22-23H2/q+1 [1H62:C21]HResonance + [1H62:1H60]J3HH doublets 1 InChI=1/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/p+1/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1/fC21H28N7O14P2/h34,36H,22-23H2/q+1 2 integer NAD+-N1' 13C-B_1 InChI=1S/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/p+1/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1 InChI=1/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/p+1/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1/i15H,20+1H/fC21H28N7O14P2/h34,36H,22-23H2/q+1 [1H61:C20]HResonance + [1H61:13C20]J1CH + [1H61:1H59]J3HH multiplets 0.5 InChI=1/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/p+1/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1/fC21H28N7O14P2/h34,36H,22-23H2/q+1 1 integer NAD+-N1' 13C-B_2 InChI=1S/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/p+1/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1 InChI=1/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/p+1/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1/i15H,20+1H/fC21H28N7O14P2/h34,36H,22-23H2/q+1 [1H61:C20]HResonance + [1H61:13C20]J1CH + [1H61:1H59]J3HH multiplets 0.5 InChI=1/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/p+1/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1/fC21H28N7O14P2/h34,36H,22-23H2/q+1 2 integer NAD+-N1'_1 InChI=1S/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/p+1/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1 InChI=1/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/p+1/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1/i15H,20H/fC21H28N7O14P2/h34,36H,22-23H2/q+1 [1H61:C20]HResonance + [1H61:1H59]J3HH doublets 1 InChI=1/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/p+1/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1/fC21H28N7O14P2/h34,36H,22-23H2/q+1 1 integer NAD+-N1'_2 InChI=1S/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/p+1/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1 InChI=1/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/p+1/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1/i15H,20H/fC21H28N7O14P2/h34,36H,22-23H2/q+1 [1H61:C20]HResonance + [1H61:1H59]J3HH doublets 1 InChI=1/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/p+1/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1/fC21H28N7O14P2/h34,36H,22-23H2/q+1 2 integer NAD-N2_1 InChI=1S/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/p+1/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1 InChI=1/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/p+1/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1/i4H/fC21H28N7O14P2/h34,36H,22-23H2/q+1 [1H48:C4]HResonance singlet 1 InChI=1/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/p+1/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1/fC21H28N7O14P2/h34,36H,22-23H2/q+1 1 integer NAD-N6_1 InChI=1S/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/p+1/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1 InChI=1/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/p+1/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1/i1H,3H/fC21H28N7O14P2/h34,36H,22-23H2/q+1 [1H47:C3]HResonance + [1H47:1H45]J3HH doublets 1 InChI=1/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/p+1/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1/fC21H28N7O14P2/h34,36H,22-23H2/q+1 1 integer NAD-N6_2 InChI=1S/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/p+1/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1 InChI=1/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/p+1/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1/i1H,3H/fC21H28N7O14P2/h34,36H,22-23H2/q+1 [1H47:C3]HResonance + [1H47:1H45]J3HH doublets 1 InChI=1/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/p+1/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1/fC21H28N7O14P2/h34,36H,22-23H2/q+1 2 integer NADP-N6_1 InChI=1S/C21H28N7O17P3/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32/h1-4,7-8,10-11,13-16,20-21,29-31H,5-6H2,(H7-,22,23,24,25,32,33,34,35,36,37,38,39)/p+1/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1 InChI=1/C21H28N7O17P3/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32/h1-4,7-8,10-11,13-16,20-21,29-31H,5-6H2,(H7-,22,23,24,25,32,33,34,35,36,37,38,39)/p+1/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1/i1H,3H/fC21H29N7O17P3/h33-34,36,38H,22-23H2/q+1 [1H51:C3]HResonance + [1H51:1H49]J3HH doublets 1 InChI=1/C21H28N7O17P3/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32/h1-4,7-8,10-11,13-16,20-21,29-31H,5-6H2,(H7-,22,23,24,25,32,33,34,35,36,37,38,39)/p+1/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1/fC21H29N7O17P3/h33-34,36,38H,22-23H2/q+1 1 integer Nicotin-2_1 InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1 InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1/i8H [1H25:C8]HResonance doublets 1 InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1 1 integer Nicotin-2_2 InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1 InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1/i8H [1H25:C8]HResonance doublets 1 InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1 2 integer Nicotin-5_1 InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1 InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1/i2H,4H,6H [1H16:C2]HResonance + [1H16:1H19]J3HH + [1H16:1H22]J3HH ddd 1 InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1 1 integer Nicotin-5_2 InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1 InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1/i2H,4H,6H [1H16:C2]HResonance + [1H16:1H19]J3HH + [1H16:1H22]J3HH ddd 1 InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1 2 integer Nicotin-5_3 InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1 InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1/i2H,4H,6H [1H16:C2]HResonance + [1H16:1H19]J3HH + [1H16:1H22]J3HH ddd 1 InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1 3 integer Nicotin-5_4 InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1 InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1/i2H,4H,6H [1H16:C2]HResonance + [1H16:1H19]J3HH + [1H16:1H22]J3HH ddd 1 InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1 4 integer Nicotin-6_1 InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1 InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1/i2H,6H [1H22:C6]HResonance + [1H22:1H16]J3HH dd 1 InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1 1 integer Nicotin-6_2 InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1 InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1/i2H,6H [1H22:C6]HResonance + [1H22:1H16]J3HH dd 1 InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1 2 integer Nicotin-6_3 InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1 InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1/i2H,6H [1H22:C6]HResonance + [1H22:1H16]J3HH dd 1 InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1 3 integer Nicotin-6_4 InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1 InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1/i2H,6H [1H22:C6]HResonance + [1H22:1H16]J3HH dd 1 InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1 4 integer P-Cho A_1 InChI=1S/C5H14NO4P/c1-6(2,3)4-5-10-11(7,8)9/h4-5H2,1-3H3,(H-,7,8,9)/p-1 InChI=1/C5H14NO4P/c1-6(2,3)4-5-10-11(7,8)9/h4-5H2,1-3H3,(H-,7,8,9)/p-1/i1H3,2H3,3H3/fC5H13NO4P/q-1 ['[1H12', '1H13', '1H14:C1+1H15', '1H16', '1H17:C2+1H18', '1H19', '1H20:C3]Hresonance'] singlet 9 InChI=1S/C5H14NO4P/c1-6(2,3)4-5-10-11(7,8)9/h4-5H2,1-3H3,(H-,7,8,9)/p-1 1 integer P-Cho A_2 InChI=1S/C5H14NO4P/c1-6(2,3)4-5-10-11(7,8)9/h4-5H2,1-3H3,(H-,7,8,9)/p-1 InChI=1/C5H14NO4P/c1-6(2,3)4-5-10-11(7,8)9/h4-5H2,1-3H3,(H-,7,8,9)/p-1/i1H3,2H3,3H3/fC5H13NO4P/q-1 ['[1H12', '1H13', '1H14:C1+1H15', '1H16', '1H17:C2+1H18', '1H19', '1H20:C3]Hresonance'] singlet 9 InChI=1S/C5H14NO4P/c1-6(2,3)4-5-10-11(7,8)9/h4-5H2,1-3H3,(H-,7,8,9)/p-1 2 integer P-Cho B_1 InChI=1S/C5H14NO4P/c1-6(2,3)4-5-10-11(7,8)9/h4-5H2,1-3H3,(H-,7,8,9)/p-1 InChI=1/C5H14NO4P/c1-6(2,3)4-5-10-11(7,8)9/h4-5H2,1-3H3,(H-,7,8,9)/p-1/i4H2,5H2/fC5H13NO4P/q-1 ['[1H23', '1H24:C5]HResonance + [1H23:1H24]J2HH + [1H23', '1H24:1H21', '1H22]J3HH'] multiplets 2 InChI=1S/C5H14NO4P/c1-6(2,3)4-5-10-11(7,8)9/h4-5H2,1-3H3,(H-,7,8,9)/p-1 1 integer P-Cho B_2 InChI=1S/C5H14NO4P/c1-6(2,3)4-5-10-11(7,8)9/h4-5H2,1-3H3,(H-,7,8,9)/p-1 InChI=1/C5H14NO4P/c1-6(2,3)4-5-10-11(7,8)9/h4-5H2,1-3H3,(H-,7,8,9)/p-1/i4H2,5H2/fC5H13NO4P/q-1 ['[1H23', '1H24:C5]HResonance + [1H23:1H24]J2HH + [1H23', '1H24:1H21', '1H22]J3HH'] multiplets 2 InChI=1S/C5H14NO4P/c1-6(2,3)4-5-10-11(7,8)9/h4-5H2,1-3H3,(H-,7,8,9)/p-1 2 integer P-Cho B_3 InChI=1S/C5H14NO4P/c1-6(2,3)4-5-10-11(7,8)9/h4-5H2,1-3H3,(H-,7,8,9)/p-1 InChI=1/C5H14NO4P/c1-6(2,3)4-5-10-11(7,8)9/h4-5H2,1-3H3,(H-,7,8,9)/p-1/i4H2,5H2/fC5H13NO4P/q-1 ['[1H23', '1H24:C5]HResonance + [1H23:1H24]J2HH + [1H23', '1H24:1H21', '1H22]J3HH'] multiplets 2 InChI=1S/C5H14NO4P/c1-6(2,3)4-5-10-11(7,8)9/h4-5H2,1-3H3,(H-,7,8,9)/p-1 3 integer P-Cho B_4 InChI=1S/C5H14NO4P/c1-6(2,3)4-5-10-11(7,8)9/h4-5H2,1-3H3,(H-,7,8,9)/p-1 InChI=1/C5H14NO4P/c1-6(2,3)4-5-10-11(7,8)9/h4-5H2,1-3H3,(H-,7,8,9)/p-1/i4H2,5H2/fC5H13NO4P/q-1 ['[1H23', '1H24:C5]HResonance + [1H23:1H24]J2HH + [1H23', '1H24:1H21', '1H22]J3HH'] multiplets 2 InChI=1S/C5H14NO4P/c1-6(2,3)4-5-10-11(7,8)9/h4-5H2,1-3H3,(H-,7,8,9)/p-1 4 integer P-Cho B_5 InChI=1S/C5H14NO4P/c1-6(2,3)4-5-10-11(7,8)9/h4-5H2,1-3H3,(H-,7,8,9)/p-1 InChI=1/C5H14NO4P/c1-6(2,3)4-5-10-11(7,8)9/h4-5H2,1-3H3,(H-,7,8,9)/p-1/i4H2,5H2/fC5H13NO4P/q-1 ['[1H23', '1H24:C5]HResonance + [1H23:1H24]J2HH + [1H23', '1H24:1H21', '1H22]J3HH'] multiplets 2 InChI=1S/C5H14NO4P/c1-6(2,3)4-5-10-11(7,8)9/h4-5H2,1-3H3,(H-,7,8,9)/p-1 5 integer P-Cho B_6 InChI=1S/C5H14NO4P/c1-6(2,3)4-5-10-11(7,8)9/h4-5H2,1-3H3,(H-,7,8,9)/p-1 InChI=1/C5H14NO4P/c1-6(2,3)4-5-10-11(7,8)9/h4-5H2,1-3H3,(H-,7,8,9)/p-1/i4H2,5H2/fC5H13NO4P/q-1 ['[1H23', '1H24:C5]HResonance + [1H23:1H24]J2HH + [1H23', '1H24:1H21', '1H22]J3HH'] multiplets 2 InChI=1S/C5H14NO4P/c1-6(2,3)4-5-10-11(7,8)9/h4-5H2,1-3H3,(H-,7,8,9)/p-1 6 integer P-Cho B_7 InChI=1S/C5H14NO4P/c1-6(2,3)4-5-10-11(7,8)9/h4-5H2,1-3H3,(H-,7,8,9)/p-1 InChI=1/C5H14NO4P/c1-6(2,3)4-5-10-11(7,8)9/h4-5H2,1-3H3,(H-,7,8,9)/p-1/i4H2,5H2/fC5H13NO4P/q-1 ['[1H23', '1H24:C5]HResonance + [1H23:1H24]J2HH + [1H23', '1H24:1H21', '1H22]J3HH'] multiplets 2 InChI=1S/C5H14NO4P/c1-6(2,3)4-5-10-11(7,8)9/h4-5H2,1-3H3,(H-,7,8,9)/p-1 7 integer P-Cho B_8 InChI=1S/C5H14NO4P/c1-6(2,3)4-5-10-11(7,8)9/h4-5H2,1-3H3,(H-,7,8,9)/p-1 InChI=1/C5H14NO4P/c1-6(2,3)4-5-10-11(7,8)9/h4-5H2,1-3H3,(H-,7,8,9)/p-1/i4H2,5H2/fC5H13NO4P/q-1 ['[1H23', '1H24:C5]HResonance + [1H23:1H24]J2HH + [1H23', '1H24:1H21', '1H22]J3HH'] multiplets 2 InChI=1S/C5H14NO4P/c1-6(2,3)4-5-10-11(7,8)9/h4-5H2,1-3H3,(H-,7,8,9)/p-1 8 integer P-Cho B_9 InChI=1S/C5H14NO4P/c1-6(2,3)4-5-10-11(7,8)9/h4-5H2,1-3H3,(H-,7,8,9)/p-1 InChI=1/C5H14NO4P/c1-6(2,3)4-5-10-11(7,8)9/h4-5H2,1-3H3,(H-,7,8,9)/p-1/i4H2,5H2/fC5H13NO4P/q-1 ['[1H23', '1H24:C5]HResonance + [1H23:1H24]J2HH + [1H23', '1H24:1H21', '1H22]J3HH'] multiplets 2 InChI=1S/C5H14NO4P/c1-6(2,3)4-5-10-11(7,8)9/h4-5H2,1-3H3,(H-,7,8,9)/p-1 9 integer Phe-2,6_1 InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1 InChI=1/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1/i2H,3H,4H,5H/f/h10H [1H16:C4+1H17:C5]HResonance + [1H16:1H14]J3HH + [1H17:1H15]J3HH doublets 2 InChI=1/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1/f/h10H 1 integer Phe-2,6_2 InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1 InChI=1/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1/i2H,3H,4H,5H/f/h10H [1H16:C4+1H17:C5]HResonance + [1H16:1H14]J3HH + [1H17:1H15]J3HH doublets 2 InChI=1/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1/f/h10H 2 integer Phe-2,6_3 InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1 InChI=1/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1/i2H,3H,4H,5H/f/h10H [1H16:C4+1H17:C5]HResonance + [1H16:1H14]J3HH + [1H17:1H15]J3HH doublets 2 InChI=1/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1/f/h10H 3 integer Phe-3,5_1 InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1 InChI=1/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1/i1H,2H,3H,4H,5H/f/h10H [1H14:C2+1H15:C3]HResonance + [1H14:1H13]J3HH + [1H14:1H16]J3HH + [1H15:1H13]J3HH + [1H15:1H17]J3HH triplet 2 InChI=1/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1/f/h10H 1 integer Phe-3,5_2 InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1 InChI=1/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1/i1H,2H,3H,4H,5H/f/h10H [1H14:C2+1H15:C3]HResonance + [1H14:1H13]J3HH + [1H14:1H16]J3HH + [1H15:1H13]J3HH + [1H15:1H17]J3HH triplet 2 InChI=1/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1/f/h10H 2 integer Phe-3,5_3 InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1 InChI=1/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1/i1H,2H,3H,4H,5H/f/h10H [1H14:C2+1H15:C3]HResonance + [1H14:1H13]J3HH + [1H14:1H16]J3HH + [1H15:1H13]J3HH + [1H15:1H17]J3HH triplet 2 InChI=1/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1/f/h10H 3 integer Succinate-2,3_1 InChI=1S/C4H6O4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)(H,7,8)/p-2 InChI=1/C4H6O4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)(H,7,8)/p-2/i1H2,2H2/fC4H4O4/q-2 ['[1H9', '1H10:C1+1H11', '1H12:C2]Hresonance'] singlet 4 InChI=1S/C4H6O4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)(H,7,8)/p-2 1 integer Tau-1 (SCH2)_1 InChI=1S/C2H7NO3S/c3-1-2-7(4,5)6/h1-3H2,(H,4,5,6) InChI=1/C2H7NO3S/c3-1-2-7(4,5)6/h1-3H2,(H,4,5,6)/i1H2,2H2/f/h3H ['[1H10', '1H11:C2]HResonance + [1H10', '1H11:1H8', '1H9]J3HH'] triplet 2 InChI=1/C2H7NO3S/c3-1-2-7(4,5)6/h1-3H2,(H,4,5,6)/f/h3H 1 integer Tau-1 (SCH2)_2 InChI=1S/C2H7NO3S/c3-1-2-7(4,5)6/h1-3H2,(H,4,5,6) InChI=1/C2H7NO3S/c3-1-2-7(4,5)6/h1-3H2,(H,4,5,6)/i1H2,2H2/f/h3H ['[1H10', '1H11:C2]HResonance + [1H10', '1H11:1H8', '1H9]J3HH'] triplet 2 InChI=1/C2H7NO3S/c3-1-2-7(4,5)6/h1-3H2,(H,4,5,6)/f/h3H 2 integer Tau-1 (SCH2)_3 InChI=1S/C2H7NO3S/c3-1-2-7(4,5)6/h1-3H2,(H,4,5,6) InChI=1/C2H7NO3S/c3-1-2-7(4,5)6/h1-3H2,(H,4,5,6)/i1H2,2H2/f/h3H ['[1H10', '1H11:C2]HResonance + [1H10', '1H11:1H8', '1H9]J3HH'] triplet 2 InChI=1/C2H7NO3S/c3-1-2-7(4,5)6/h1-3H2,(H,4,5,6)/f/h3H 3 integer Tau-2 (NCH2)_1 InChI=1S/C2H7NO3S/c3-1-2-7(4,5)6/h1-3H2,(H,4,5,6) InChI=1/C2H7NO3S/c3-1-2-7(4,5)6/h1-3H2,(H,4,5,6)/i1H2,2H2/f/h3H ['[1H8', '1H9:C1]HResonance + [1H8', '1H9:1H10', '1H11]J3HH'] triplet 2 InChI=1/C2H7NO3S/c3-1-2-7(4,5)6/h1-3H2,(H,4,5,6)/f/h3H 1 integer Tau-2 (NCH2)_2 InChI=1S/C2H7NO3S/c3-1-2-7(4,5)6/h1-3H2,(H,4,5,6) InChI=1/C2H7NO3S/c3-1-2-7(4,5)6/h1-3H2,(H,4,5,6)/i1H2,2H2/f/h3H ['[1H8', '1H9:C1]HResonance + [1H8', '1H9:1H10', '1H11]J3HH'] triplet 2 InChI=1/C2H7NO3S/c3-1-2-7(4,5)6/h1-3H2,(H,4,5,6)/f/h3H 2 integer Tau-2 (NCH2)_3 InChI=1S/C2H7NO3S/c3-1-2-7(4,5)6/h1-3H2,(H,4,5,6) InChI=1/C2H7NO3S/c3-1-2-7(4,5)6/h1-3H2,(H,4,5,6)/i1H2,2H2/f/h3H ['[1H8', '1H9:C1]HResonance + [1H8', '1H9:1H10', '1H11]J3HH'] triplet 2 InChI=1/C2H7NO3S/c3-1-2-7(4,5)6/h1-3H2,(H,4,5,6)/f/h3H 3 integer Tris_1 InChI=1S/C6H16O3SSi/c1-11(2,3)6-4-5-10(7,8)9/h4-6H2,1-3H3,(H,7,8,9)/i4D2,5D2,6D2 InChI=1/C4H11NO3/c5-4(1-6,2-7)3-8/h6-8H,1-3,5H2/p+1/i1H2,2H2,3H2/fC4H12NO3/h5H/q+1 ['[1H9', '1H10:C1+1H11', '1H12:C2+1H13', '1H14:C3]Hresonance'] singlet 6 InChI=1/C6H16O3SSi/c1-11(2,3)6-4-5-10(7,8)9/h4-6H2,1-3H3,(H,7,8,9)/p-1/i4D2,5D2,6D2/fC6H15O3SSi/q-1 1 integer Trp-4_1 InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m0/s1 InChI=1/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m0/s1/i1H,3H/f/h12H [1H18:C3]HResonance + [1H18:1H16]J3HH doublets 1 InChI=1/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m0/s1/f/h12H 1 integer Trp-4_2 InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m0/s1 InChI=1/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m0/s1/i1H,3H/f/h12H [1H18:C3]HResonance + [1H18:1H16]J3HH doublets 1 InChI=1/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m0/s1/f/h12H 2 integer Tyr-2,6_1 InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1 InChI=1/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1/i1H,2H,3H,4H/f/h10H [1H14:C1+1H15:C2]HResonance + [1H14:1H16]J3HH + [1H15:1H17]J3HH doublets 2 InChI=1/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1/f/h10H 1 integer Tyr-2,6_2 InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1 InChI=1/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1/i1H,2H,3H,4H/f/h10H [1H14:C1+1H15:C2]HResonance + [1H14:1H16]J3HH + [1H15:1H17]J3HH doublets 2 InChI=1/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1/f/h10H 2 integer Tyr-3,5_1 InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1 InChI=1/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1/i1H,2H,3H,4H/f/h10H [1H16:C3+1H17:C4]HResonance + [1H16:1H14]J3HH + [1H17:1H15]J3HH doublets 2 InChI=1/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1/f/h10H 1 integer Tyr-3,5_2 InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1 InChI=1/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1/i1H,2H,3H,4H/f/h10H [1H16:C3+1H17:C4]HResonance + [1H16:1H14]J3HH + [1H17:1H15]J3HH doublets 2 InChI=1/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1/f/h10H 2 integer UXP-1'_1 ['InChI=1S/C9H13N2O9P/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,18)/p-2/t4-,6-,7-,8-/m1/s1', ' InChI=1S/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18)/p-2/t4-,6-,7-,8-/m1/s1', ' InChI=1S/C9H15N2O15P3/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H,10,12,15)(H2,16,17,18)/p-4/t4-,6-,7-,8-/m1/s1'] ['InChI=1/C9H13N2O9P/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,18)/p-2/t4-,6-,7-,8-/m1/s1/i7H,8H/fC9H11N2O9P/h10H/q-2', ' InChI=1/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18)/p-3/t4-,6-,7-,8-/m1/s1/i7H,8H/fC9H11N2O12P2/h10H/q-3', ' InChI=1/C9H15N2O15P3/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H,10,12,15)(H2,16,17,18)/p-4/t4-,6-,7-,8-/m1/s1/i7H,8H/fC9H11N2O15P3/h10H/q-4'] ['[1H29:C8]HResonance + [1H29:1H28]J3HH', ' [1H33:C8]HResonance + [1H33:1H32]J3HH', ' [1H37:C8]HResonance + [1H37:1H36]J3HH'] doublets 1 ['InChI=1/C9H13N2O9P/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,18)/p-2/t4-,6-,7-,8-/m1/s1/fC9H11N2O9P/h10H/q-2', ' InChI=1/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18)/p-3/t4-,6-,7-,8-/m1/s1/fC9H11N2O12P2/h10H/q-3', ' InChI=1/C9H15N2O15P3/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H,10,12,15)(H2,16,17,18)/p-4/t4-,6-,7-,8-/m1/s1/fC9H11N2O15P3/h10H/q-4'] 1 integer UXP-1'_2 ['InChI=1S/C9H13N2O9P/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,18)/p-2/t4-,6-,7-,8-/m1/s1', ' InChI=1S/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18)/p-2/t4-,6-,7-,8-/m1/s1', ' InChI=1S/C9H15N2O15P3/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H,10,12,15)(H2,16,17,18)/p-4/t4-,6-,7-,8-/m1/s1'] ['InChI=1/C9H13N2O9P/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,18)/p-2/t4-,6-,7-,8-/m1/s1/i7H,8H/fC9H11N2O9P/h10H/q-2', ' InChI=1/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18)/p-3/t4-,6-,7-,8-/m1/s1/i7H,8H/fC9H11N2O12P2/h10H/q-3', ' InChI=1/C9H15N2O15P3/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H,10,12,15)(H2,16,17,18)/p-4/t4-,6-,7-,8-/m1/s1/i7H,8H/fC9H11N2O15P3/h10H/q-4'] ['[1H29:C8]HResonance + [1H29:1H28]J3HH', ' [1H33:C8]HResonance + [1H33:1H32]J3HH', ' [1H37:C8]HResonance + [1H37:1H36]J3HH'] doublets 1 ['InChI=1/C9H13N2O9P/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,18)/p-2/t4-,6-,7-,8-/m1/s1/fC9H11N2O9P/h10H/q-2', ' InChI=1/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18)/p-3/t4-,6-,7-,8-/m1/s1/fC9H11N2O12P2/h10H/q-3', ' InChI=1/C9H15N2O15P3/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H,10,12,15)(H2,16,17,18)/p-4/t4-,6-,7-,8-/m1/s1/fC9H11N2O15P3/h10H/q-4'] 2 integer UXP-5_1 ['InChI=1S/C9H13N2O9P/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,18)/p-2/t4-,6-,7-,8-/m1/s1', ' InChI=1S/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18)/p-2/t4-,6-,7-,8-/m1/s1', ' InChI=1S/C9H15N2O15P3/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H,10,12,15)(H2,16,17,18)/p-4/t4-,6-,7-,8-/m1/s1'] ['InChI=1/C9H13N2O9P/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,18)/p-2/t4-,6-,7-,8-/m1/s1/i1H,2H/fC9H11N2O9P/h10H/q-2', ' InChI=1/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18)/p-3/t4-,6-,7-,8-/m1/s1/i1H,2H/fC9H11N2O12P2/h10H/q-3', ' InChI=1/C9H15N2O15P3/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H,10,12,15)(H2,16,17,18)/p-4/t4-,6-,7-,8-/m1/s1/i1H,2H/fC9H11N2O15P3/h10H/q-4'] ['[1H22:C1]HResonance + [1H22:1H23]J3HH', ' [1H26:C1]HResonance + [1H26:1H27]J3HH', ' [1H30:C1]HResonance + [1H30:1H31]J3HH'] doublets 1 ['InChI=1/C9H13N2O9P/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,18)/p-2/t4-,6-,7-,8-/m1/s1/fC9H11N2O9P/h10H/q-2', ' InChI=1/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18)/p-3/t4-,6-,7-,8-/m1/s1/fC9H11N2O12P2/h10H/q-3', ' InChI=1/C9H15N2O15P3/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H,10,12,15)(H2,16,17,18)/p-4/t4-,6-,7-,8-/m1/s1/fC9H11N2O15P3/h10H/q-4'] 1 integer UXP-5_2 ['InChI=1S/C9H13N2O9P/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,18)/p-2/t4-,6-,7-,8-/m1/s1', ' InChI=1S/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18)/p-2/t4-,6-,7-,8-/m1/s1', ' InChI=1S/C9H15N2O15P3/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H,10,12,15)(H2,16,17,18)/p-4/t4-,6-,7-,8-/m1/s1'] ['InChI=1/C9H13N2O9P/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,18)/p-2/t4-,6-,7-,8-/m1/s1/i1H,2H/fC9H11N2O9P/h10H/q-2', ' InChI=1/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18)/p-3/t4-,6-,7-,8-/m1/s1/i1H,2H/fC9H11N2O12P2/h10H/q-3', ' InChI=1/C9H15N2O15P3/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H,10,12,15)(H2,16,17,18)/p-4/t4-,6-,7-,8-/m1/s1/i1H,2H/fC9H11N2O15P3/h10H/q-4'] ['[1H22:C1]HResonance + [1H22:1H23]J3HH', ' [1H26:C1]HResonance + [1H26:1H27]J3HH', ' [1H30:C1]HResonance + [1H30:1H31]J3HH'] doublets 1 ['InChI=1/C9H13N2O9P/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,18)/p-2/t4-,6-,7-,8-/m1/s1/fC9H11N2O9P/h10H/q-2', ' InChI=1/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18)/p-3/t4-,6-,7-,8-/m1/s1/fC9H11N2O12P2/h10H/q-3', ' InChI=1/C9H15N2O15P3/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H,10,12,15)(H2,16,17,18)/p-4/t4-,6-,7-,8-/m1/s1/fC9H11N2O15P3/h10H/q-4'] 2 integer UXP-5_3 ['InChI=1S/C9H13N2O9P/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,18)/p-2/t4-,6-,7-,8-/m1/s1', ' InChI=1S/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18)/p-2/t4-,6-,7-,8-/m1/s1', ' InChI=1S/C9H15N2O15P3/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H,10,12,15)(H2,16,17,18)/p-4/t4-,6-,7-,8-/m1/s1'] ['InChI=1/C9H13N2O9P/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,18)/p-2/t4-,6-,7-,8-/m1/s1/i1H,2H/fC9H11N2O9P/h10H/q-2', ' InChI=1/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18)/p-3/t4-,6-,7-,8-/m1/s1/i1H,2H/fC9H11N2O12P2/h10H/q-3', ' InChI=1/C9H15N2O15P3/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H,10,12,15)(H2,16,17,18)/p-4/t4-,6-,7-,8-/m1/s1/i1H,2H/fC9H11N2O15P3/h10H/q-4'] ['[1H22:C1]HResonance + [1H22:1H23]J3HH', ' [1H26:C1]HResonance + [1H26:1H27]J3HH', ' [1H30:C1]HResonance + [1H30:1H31]J3HH'] doublets 1 ['InChI=1/C9H13N2O9P/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,18)/p-2/t4-,6-,7-,8-/m1/s1/fC9H11N2O9P/h10H/q-2', ' InChI=1/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18)/p-3/t4-,6-,7-,8-/m1/s1/fC9H11N2O12P2/h10H/q-3', ' InChI=1/C9H15N2O15P3/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H,10,12,15)(H2,16,17,18)/p-4/t4-,6-,7-,8-/m1/s1/fC9H11N2O15P3/h10H/q-4'] 3 integer UXP-5_4 ['InChI=1S/C9H13N2O9P/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,18)/p-2/t4-,6-,7-,8-/m1/s1', ' InChI=1S/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18)/p-2/t4-,6-,7-,8-/m1/s1', ' InChI=1S/C9H15N2O15P3/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H,10,12,15)(H2,16,17,18)/p-4/t4-,6-,7-,8-/m1/s1'] ['InChI=1/C9H13N2O9P/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,18)/p-2/t4-,6-,7-,8-/m1/s1/i1H,2H/fC9H11N2O9P/h10H/q-2', ' InChI=1/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18)/p-3/t4-,6-,7-,8-/m1/s1/i1H,2H/fC9H11N2O12P2/h10H/q-3', ' InChI=1/C9H15N2O15P3/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H,10,12,15)(H2,16,17,18)/p-4/t4-,6-,7-,8-/m1/s1/i1H,2H/fC9H11N2O15P3/h10H/q-4'] ['[1H22:C1]HResonance + [1H22:1H23]J3HH', ' [1H26:C1]HResonance + [1H26:1H27]J3HH', ' [1H30:C1]HResonance + [1H30:1H31]J3HH'] doublets 1 ['InChI=1/C9H13N2O9P/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,18)/p-2/t4-,6-,7-,8-/m1/s1/fC9H11N2O9P/h10H/q-2', ' InChI=1/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18)/p-3/t4-,6-,7-,8-/m1/s1/fC9H11N2O12P2/h10H/q-3', ' InChI=1/C9H15N2O15P3/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H,10,12,15)(H2,16,17,18)/p-4/t4-,6-,7-,8-/m1/s1/fC9H11N2O15P3/h10H/q-4'] 4 integer UXP-6_1 ['InChI=1S/C9H13N2O9P/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,18)/p-2/t4-,6-,7-,8-/m1/s1', ' InChI=1S/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18)/p-2/t4-,6-,7-,8-/m1/s1', ' InChI=1S/C9H15N2O15P3/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H,10,12,15)(H2,16,17,18)/p-4/t4-,6-,7-,8-/m1/s1'] ['InChI=1/C9H13N2O9P/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,18)/p-2/t4-,6-,7-,8-/m1/s1/i1H,2H/fC9H11N2O9P/h10H/q-2', ' InChI=1/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18)/p-3/t4-,6-,7-,8-/m1/s1/i1H,2H/fC9H11N2O12P2/h10H/q-3', ' InChI=1/C9H15N2O15P3/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H,10,12,15)(H2,16,17,18)/p-4/t4-,6-,7-,8-/m1/s1/i1H,2H/fC9H11N2O15P3/h10H/q-4'] ['[1H23:C2]HResonance + [1H23:1H22]J3HH', ' [1H27:C2]HResonance + [1H27:1H26]J3HH', ' [1H31:C2]HResonance + [1H31:1H30]J3HH'] doublets 1 ['InChI=1/C9H13N2O9P/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,18)/p-2/t4-,6-,7-,8-/m1/s1/fC9H11N2O9P/h10H/q-2', ' InChI=1/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18)/p-3/t4-,6-,7-,8-/m1/s1/fC9H11N2O12P2/h10H/q-3', ' InChI=1/C9H15N2O15P3/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H,10,12,15)(H2,16,17,18)/p-4/t4-,6-,7-,8-/m1/s1/fC9H11N2O15P3/h10H/q-4'] 1 integer UXP-6_2 ['InChI=1S/C9H13N2O9P/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,18)/p-2/t4-,6-,7-,8-/m1/s1', ' InChI=1S/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18)/p-2/t4-,6-,7-,8-/m1/s1', ' InChI=1S/C9H15N2O15P3/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H,10,12,15)(H2,16,17,18)/p-4/t4-,6-,7-,8-/m1/s1'] ['InChI=1/C9H13N2O9P/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,18)/p-2/t4-,6-,7-,8-/m1/s1/i1H,2H/fC9H11N2O9P/h10H/q-2', ' InChI=1/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18)/p-3/t4-,6-,7-,8-/m1/s1/i1H,2H/fC9H11N2O12P2/h10H/q-3', ' InChI=1/C9H15N2O15P3/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H,10,12,15)(H2,16,17,18)/p-4/t4-,6-,7-,8-/m1/s1/i1H,2H/fC9H11N2O15P3/h10H/q-4'] ['[1H23:C2]HResonance + [1H23:1H22]J3HH', ' [1H27:C2]HResonance + [1H27:1H26]J3HH', ' [1H31:C2]HResonance + [1H31:1H30]J3HH'] doublets 1 ['InChI=1/C9H13N2O9P/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,18)/p-2/t4-,6-,7-,8-/m1/s1/fC9H11N2O9P/h10H/q-2', ' InChI=1/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18)/p-3/t4-,6-,7-,8-/m1/s1/fC9H11N2O12P2/h10H/q-3', ' InChI=1/C9H15N2O15P3/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H,10,12,15)(H2,16,17,18)/p-4/t4-,6-,7-,8-/m1/s1/fC9H11N2O15P3/h10H/q-4'] 2 integer Val-B_1 InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t4-/m0/s1 InChI=1/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t4-/m0/s1/i1H3,3H/t3-,4-/f/h6H/i/tM ['[1H9', '1H10', '1H11:C1]HResonance + [1H9', '1H10', '1H11:1H15]J3HH'] doublets 3 InChI=1/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t4-/m0/s1/f/h6H 1 integer Val-B_2 InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t4-/m0/s1 InChI=1/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t4-/m0/s1/i1H3,3H/t3-,4-/f/h6H/i/tM ['[1H9', '1H10', '1H11:C1]HResonance + [1H9', '1H10', '1H11:1H15]J3HH'] doublets 3 InChI=1/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t4-/m0/s1/f/h6H 2 integer aGlc 13C-A_1 InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m1/s1 InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m1/s1/i5H,6+1H [1H19:C6]HResonance + [1H19:13C6]J1CH + [1H19:1H18]J3HH multiplets 0.175 InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m1/s1 1 integer aGlc 13C-B_1 InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m1/s1 InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m1/s1/i5H,6+1H [1H19:C6]HResonance + [1H19:13C6]J1CH + [1H19:1H18]J3HH multiplets 0.175 InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m1/s1 1 integer aGlc 13C-B_2 InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m1/s1 InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m1/s1/i5H,6+1H [1H19:C6]HResonance + [1H19:13C6]J1CH + [1H19:1H18]J3HH multiplets 0.175 InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m1/s1 2 integer aGlc 13C-B_3 InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m1/s1 InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m1/s1/i5H,6+1H [1H19:C6]HResonance + [1H19:13C6]J1CH + [1H19:1H18]J3HH multiplets 0.175 InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m1/s1 3 integer aGlc_1 InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m1/s1 InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m1/s1/i5H,6H [1H19:C6]HResonance + [1H19:1H18]J3HH doublets 0.35 InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m1/s1 1 integer aGlc_2 InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m1/s1 InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m1/s1/i5H,6H [1H19:C6]HResonance + [1H19:1H18]J3HH doublets 0.35 InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m1/s1 2 integer bGlc 13C-A_1 InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1 InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1/i5H,6+1H [1H19:C6]HResonance + [1H19:13C6]J1CH + [1H19:1H18]J3HH doublets 0.325 InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1 1 integer bGlc 13C-A_2 InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1 InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1/i5H,6+1H [1H19:C6]HResonance + [1H19:13C6]J1CH + [1H19:1H18]J3HH doublets 0.325 InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1 2 integer bGlc 13C-A_3 InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1 InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1/i5H,6+1H [1H19:C6]HResonance + [1H19:13C6]J1CH + [1H19:1H18]J3HH doublets 0.325 InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1 3 integer bGlc 13C-A_4 InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1 InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1/i5H,6+1H [1H19:C6]HResonance + [1H19:13C6]J1CH + [1H19:1H18]J3HH doublets 0.325 InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1 4 integer bGlc 13C-A_5 InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1 InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1/i5H,6+1H [1H19:C6]HResonance + [1H19:13C6]J1CH + [1H19:1H18]J3HH doublets 0.325 InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1 5 integer bGlc 13C-B_1 InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1 InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1/i5H,6+1H [1H19:C6]HResonance + [1H19:13C6]J1CH + [1H19:1H18]J3HH doublets 0.325 InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1 1 integer bGlc 13C-B_2 InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1 InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1/i5H,6+1H [1H19:C6]HResonance + [1H19:13C6]J1CH + [1H19:1H18]J3HH doublets 0.325 InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1 2 integer bGlc 13C-B_3 InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1 InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1/i5H,6+1H [1H19:C6]HResonance + [1H19:13C6]J1CH + [1H19:1H18]J3HH doublets 0.325 InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1 3 integer bGlc 13C-B_4 InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1 InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1/i5H,6+1H [1H19:C6]HResonance + [1H19:13C6]J1CH + [1H19:1H18]J3HH doublets 0.325 InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1 4 integer bGlc 13C-B_5 InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1 InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1/i5H,6+1H [1H19:C6]HResonance + [1H19:13C6]J1CH + [1H19:1H18]J3HH doublets 0.325 InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1 5 integer bGlc_1 InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1 InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1/i5H,6H [1H19:C6]HResonance + [1H19:1H18]J3HH doublets 0.65 InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1 1 integer bGlc_2 InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1 InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1/i5H,6H [1H19:C6]HResonance + [1H19:1H18]J3HH doublets 0.65 InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1 2 integer bGlc_3 InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1 InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1/i5H,6H [1H19:C6]HResonance + [1H19:1H18]J3HH doublets 0.65 InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1 3 integer m-Ins-1,3_1 InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3-,4+,5-,6- InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3-,4+,5-,6-/i1H,2H,3H,5H,6H/m0/s1 [1H13:C1+1H17:C5]HResonance + [1H13:1H14]J3HH + [1H13:1H15]J3HH + [1H17:1H15]J3HH + [1H17:1H18]J3HH dd 2 InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3-,4+,5-,6- 1 integer m-Ins-1,3_2 InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3-,4+,5-,6- InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3-,4+,5-,6-/i1H,2H,3H,5H,6H/m0/s1 [1H13:C1+1H17:C5]HResonance + [1H13:1H14]J3HH + [1H13:1H15]J3HH + [1H17:1H15]J3HH + [1H17:1H18]J3HH dd 2 InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3-,4+,5-,6- 2 integer m-Ins-1,3_3 InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3-,4+,5-,6- InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3-,4+,5-,6-/i1H,2H,3H,5H,6H/m0/s1 [1H13:C1+1H17:C5]HResonance + [1H13:1H14]J3HH + [1H13:1H15]J3HH + [1H17:1H15]J3HH + [1H17:1H18]J3HH dd 2 InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3-,4+,5-,6- 3 integer m-Ins-1,3_4 InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3-,4+,5-,6- InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3-,4+,5-,6-/i1H,2H,3H,5H,6H/m0/s1 [1H13:C1+1H17:C5]HResonance + [1H13:1H14]J3HH + [1H13:1H15]J3HH + [1H17:1H15]J3HH + [1H17:1H18]J3HH dd 2 InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3-,4+,5-,6- 4 integer m-Ins-1,3_5 InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3-,4+,5-,6- InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3-,4+,5-,6-/i1H,2H,3H,5H,6H/m0/s1 [1H13:C1+1H17:C5]HResonance + [1H13:1H14]J3HH + [1H13:1H15]J3HH + [1H17:1H15]J3HH + [1H17:1H18]J3HH dd 2 InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3-,4+,5-,6- 5 integer m-Ins-2?_1 InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3-,4+,5-,6- InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3-,4+,5-,6-/i1H,2H,3H/t1-,2+,3-,4-,5+,6+ [1H15:C3]HResonance + [1H15:1H13]J3HH + [1H15:1H17]J3HH triplet 1 InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3-,4+,5-,6- 1 integer m-Ins-2?_2 InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3-,4+,5-,6- InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3-,4+,5-,6-/i1H,2H,3H/t1-,2+,3-,4-,5+,6+ [1H15:C3]HResonance + [1H15:1H13]J3HH + [1H15:1H17]J3HH triplet 1 InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3-,4+,5-,6- 2 integer m-Ins-2?_3 InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3-,4+,5-,6- InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3-,4+,5-,6-/i1H,2H,3H/t1-,2+,3-,4-,5+,6+ [1H15:C3]HResonance + [1H15:1H13]J3HH + [1H15:1H17]J3HH triplet 1 InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3-,4+,5-,6- 3 integer pyruvate-3_1 InChI=1S/C3H4O3/c1-2(4)3(5)6/h1H3,(H,5,6)/p-1 InChI=1/C3H4O3/c1-2(4)3(5)6/h1H3,(H,5,6)/p-1/i1H3/fC3H3O3/q-1 ['[1H7', '1H8', '1H9:C1]HResonance'] singlet 3 InChI=1S/C3H4O3/c1-2(4)3(5)6/h1H3,(H,5,6)/p-1 1 integer METABOLITES_END EXTENDED_NMR_METABOLITE_DATA_START metabolite_name chemical_shift peak_area peak_height peak_width sample_id AXP-1' 13C-A_1 5.992177980235521 271.3524054016858 2.225203916087672 4.355114029435782 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A AXP-1' 13C-A_1 5.992034715907084 261.6375838312653 2.020413685737627 4.587195433559329 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A AXP-1' 13C-A_1 5.992811495731753 166.4231921346342 1.509166612898046 4.227203410368022 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A AXP-1' 13C-A_1 5.992168527495683 140.4969128528672 1.213847207273614 4.124226015850677 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A AXP-1' 13C-A_1 5.992275315873648 242.1404329374073 1.899829905275089 4.555954583640378 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A AXP-1' 13C-A_1 5.992381011451969 62.57377047320308 0.5244712988942607 4.305601199077676 06_B2_SI_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A AXP-1' 13C-A_1 5.991639788174748 191.7733852649799 1.764310430024246 4.090988325357154 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A AXP-1' 13C-A_1 5.992330896971799 378.9941305274475 3.154444159271747 4.524934066896657 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A AXP-1' 13C-A_1 5.992610053237091 266.7014185819086 2.207719155447291 4.593023323542408 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A AXP-1' 13C-A_1 5.992829702543201 346.2220833591516 3.273863918382265 3.903540529930918 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A AXP-1' 13C-A_1 5.992382203876137 762.1852451906566 6.235705611018521 4.580396852280179 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A AXP-1' 13C-A_1 5.99268521247638 178.6704281206509 1.469515157876219 4.556815883805347 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A AXP-1' 13C-A_1 5.99179090502128 190.0237135706678 1.366590027574475 5.472491719546491 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A AXP-1' 13C-A_1 5.992190817316858 760.5776399957556 5.372991336771739 5.20849457580772 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A AXP-1' 13C-B_1 6.267681852688983 92.76773257979592 0.7293445253431815 5.452286845583576 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A AXP-1' 13C-B_1 6.268711821554504 121.5852984905406 0.6715448670710752 8.008934873182962 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A AXP-1' 13C-B_1 6.268691635708896 55.81677772079441 0.4533652447280694 5.871405928679152 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A AXP-1' 13C-B_1 6.274282287834388 141.7308532219664 0.6241739580681559 10.59616297796179 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A AXP-1' 13C-B_1 6.27253527729104 197.0964641068692 0.8063850346925598 11.65000497748555 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A AXP-1' 13C-B_1 6.2756213623016 75.44803567423598 0.3079157638885117 11.67900248657377 06_B2_SI_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A AXP-1' 13C-B_1 6.274493072071048 191.2009704815391 0.8258969718950983 11.03453294344514 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A AXP-1' 13C-B_1 6.276743389175419 254.0008108299907 1.208701958401566 7.74201966595341 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A AXP-1' 13C-B_1 6.268482235245901 106.4051774948158 0.7811377327554135 6.496248452227352 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A AXP-1' 13C-B_1 6.269389612776404 79.33038147940034 0.6557317547488448 5.769505101118024 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A AXP-1' 13C-B_1 6.266149097505658 189.733892163883 1.61499013488662 5.602758018233106 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A AXP-1' 13C-B_1 6.269358080895167 90.42695195481492 0.6359160876897576 6.781453648496527 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A AXP-1' 13C-B_1 6.268779917144339 85.97209141398983 0.7258197994071709 5.648803014125392 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A AXP-1' 13C-B_1 6.266577042148626 414.2856658354493 2.476074993597126 7.979237989335486 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A AXP-1' 13C-B_2 6.277077285752753 98.69287616392091 0.8173239026787316 4.813907335025034 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A AXP-1' 13C-B_2 6.276088963028679 120.6806544138681 0.6483659816344488 7.034772941379997 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A AXP-1' 13C-B_2 6.277801000884713 57.35523071112021 0.4899388408875003 4.819326132176845 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A AXP-1' 13C-B_2 6.278053228244807 93.5567609433674 0.7937922585474472 4.873521472060142 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A AXP-1' 13C-B_2 6.277540203861985 68.93365204296487 0.6993282026869351 4.148063883536087 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A AXP-1' 13C-B_2 6.275491514833471 164.9821262424544 1.569209081028694 4.659151667881523 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A AXP-1' 13C-B_2 6.278860484778055 74.57921329914156 0.6392222512447134 4.695812782480545 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A AXP-1' 13C-B_2 6.277538918905448 105.3236534296606 0.8600917640300547 5.178008675395884 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A AXP-1' 13C-B_2 6.276057132000385 453.4210674181458 2.572339180479087 8.05759036013869 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A AXP-1'_1 6.130535802135493 423.0038532153936 7.204144801809937 2.065368383416181 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A AXP-1'_1 6.130757795633358 387.944128198099 6.39771695626925 2.174056138952837 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A AXP-1'_1 6.131600812598353 321.1513947301564 5.366452249138158 2.120402593605102 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A AXP-1'_1 6.131115536404946 224.4921261664456 3.801678667821441 2.106763893867638 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A AXP-1'_1 6.131136917958558 351.295406794081 6.013393008261289 2.054016717078003 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A AXP-1'_1 6.131145669008826 71.02551173584843 1.151176755986264 2.20153471180185 06_B2_SI_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A AXP-1'_1 6.130514918648072 268.122461953028 5.005916707129215 1.966457152245632 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A AXP-1'_1 6.130367399186093 668.4968162440949 11.63381666271232 2.065939086824168 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A AXP-1'_1 6.131180683154406 431.1383824815078 6.759803548781066 2.2604554286913 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A AXP-1'_1 6.131049079306415 450.030513406771 7.856765407497289 2.044809506038038 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A AXP-1'_1 6.129161715319685 982.2815711807337 16.76040659274719 2.101251517174766 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A AXP-1'_1 6.131268891860342 254.6819989381061 3.999160174015404 2.273374863775267 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A AXP-1'_1 6.13061091697788 253.2707988635044 3.91023995334063 2.26595033802051 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A AXP-1'_1 6.129861107128802 666.1506911667607 10.03107103961746 2.313318266420587 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A AXP-1'_1 6.131571153087409 13.83980776078808 0.2244797149971557 2.075602130518444 15_C1-20_SI_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A AXP-1'_2 6.140516380916239 540.3805500953207 7.686087932750381 2.340268964663473 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A AXP-1'_2 6.140784895366036 438.4216286417574 6.680211357176495 2.316746271235032 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A AXP-1'_2 6.141598285381163 366.0051528751601 5.661908372162681 2.265683051719229 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A AXP-1'_2 6.141036863655742 365.0419047978877 4.324891092501348 2.786602737666229 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A AXP-1'_2 6.141097142964792 401.8025606554253 6.27877807949948 2.198330891111153 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A AXP-1'_2 6.141055511430552 141.5747413753953 1.421743886673595 3.171950779548555 06_B2_SI_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A AXP-1'_2 6.140332396333374 641.0073282920912 6.24746756825344 3.360066536782564 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A AXP-1'_2 6.140401762003842 786.7077614370843 12.37547473150738 2.231493538619293 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A AXP-1'_2 6.141186318458938 498.1408273083129 7.281735018172579 2.394251302830891 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A AXP-1'_2 6.141059876976212 577.1034468764967 8.911977230170297 2.259490717137371 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A AXP-1'_2 6.139205037309399 1005.873347923941 16.80681977477779 2.145775843645629 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A AXP-1'_2 6.141192534053726 393.1408359539325 4.523055015977759 2.88289058366385 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A AXP-1'_2 6.140466948300407 517.5175705080659 4.836284022225021 3.372299650200319 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A AXP-1'_2 6.139826991749788 721.6906526621125 10.21689648946919 2.412003164802325 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A AXP-1'_2 6.141625015668805 25.16684446352167 0.2692120640837979 3.292389778295014 15_C1-20_SI_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A AXP-2_1 8.250313798087108 642.7359812810383 14.17074957990302 1.577393057042516 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A AXP-2_1 8.250748755551143 552.5008335026123 12.23184787142717 1.672430535523073 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A AXP-2_1 8.25174670428137 466.2493115461584 10.37246018124867 1.631073657481711 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A AXP-2_1 8.251396651395098 449.1906357109241 7.996210527029098 1.96010763892438 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A AXP-2_1 8.251031121494293 579.3306073471147 12.48744392796797 1.618765292144141 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A AXP-2_1 8.251950153473514 174.7882958210598 2.85144030331033 2.145566986094102 06_B2_SI_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A AXP-2_1 8.250542875866204 488.3093476742828 10.19329045399268 1.703249853381811 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A AXP-2_1 8.24971754069661 1022.837325693529 22.41444460535623 1.636082425960487 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A AXP-2_1 8.251105120171111 668.7251696634877 13.13844512861318 1.815037348280785 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A AXP-2_1 8.250537442440868 768.0586011212134 16.34906451974097 1.644149840970873 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A AXP-2_1 8.247452138477408 1394.876180862589 30.3955842114381 1.645325228624199 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A AXP-2_1 8.251492856754929 490.4192085885441 8.601912778001838 1.989314274672787 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A AXP-2_1 8.250944946246303 553.8424222695639 9.311351909214867 2.075412551702118 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A AXP-2_1 8.248920010315812 1081.11589651952 22.25177250343046 1.753179153861257 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A AXP-2_1 8.25240706584952 35.15474846666224 0.7081277483775461 1.751189786140308 15_C1-20_SI_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A AXP-2_2 8.252411801655136 228.8318708467198 3.463556792456127 2.133765608652817 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A AXP-8_1 8.536520211107705 58.79368063502761 1.144816113773487 1.841287094166157 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A AXP-8_1 8.537098625915966 31.51820676167107 0.6017274411387287 1.952490292487773 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A AXP-8_1 8.53777589413902 28.50715770427296 0.5602327269018036 1.874106517914683 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A AXP-8_1 8.537484354069802 124.0683132795541 2.330143232124758 1.911164450239469 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A AXP-8_1 8.537240129709598 91.75018404668809 1.80917548336554 1.818246850843355 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A AXP-8_1 8.537864851441503 60.05764571502192 1.19555383512842 1.908623920511167 06_B2_SI_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A AXP-8_1 8.536375305917858 383.1139956652351 6.44888195436136 2.095410037166142 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A AXP-8_1 8.536144444121398 38.73207078898186 0.7855971321677612 1.84993552353285 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A AXP-8_1 8.537152338402938 54.88620892542377 0.9220025496411408 2.089658271443743 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A AXP-8_1 8.536773536260695 58.16693138160651 1.032152750385954 1.984282174852715 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A AXP-8_1 8.53441136651667 33.45983770114256 0.6318132157205092 1.863794985503328 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A AXP-8_1 8.537537039329973 132.9241454249935 2.031732881432687 2.258531075941829 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A AXP-8_1 8.536879233231401 253.6725012525133 4.294595520063258 2.041898238136968 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A AXP-8_1 8.535374792680198 163.0283458608329 2.842667876839057 2.056191663570269 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Ace-2_1 1.909178886351243 716.2576797609835 17.69536084483358 1.41472783933565 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Ace-2_1 1.909127542095896 856.2503952478218 15.94228195313496 1.784754636265169 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Ace-2_1 1.909254976937244 401.9673349094811 9.354487750244235 1.508221197448002 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Ace-2_1 1.908840801455023 696.0516570620349 14.44520102171833 1.638011687562708 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Ace-2_1 1.90929683118125 524.259624620432 13.25425670338258 1.39907921268454 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Ace-2_1 1.908265387939789 244.826588208994 5.028628692868246 1.698791083419437 06_B2_SI_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Ace-2_1 1.908410714244402 434.1386762985003 9.642726145989206 1.556552797500206 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Ace-2_1 1.909315268334286 624.3245675263424 14.09471217688177 1.576370267904683 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Ace-2_1 1.909169552245218 484.0212166723458 10.04963838916005 1.680524798059284 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Ace-2_1 1.90961584748634 560.9508082283639 13.33701942083896 1.463342205537445 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Ace-2_1 1.910213603685484 1322.39280386593 30.15580280254784 1.556132294221288 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Ace-2_1 1.909186571373843 894.1236766081993 18.14182784378219 1.719679504400788 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Ace-2_1 1.908317821507509 419.6724496107803 9.318277092468929 1.58068820566183 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Ace-2_1 1.909277962212979 777.7409579625958 17.76463729294903 1.604189004837871 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Ace-2_1 1.908575720492635 224.2495110635324 5.057187912686052 1.56156818306992 15_C1-20_SI_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Ala-3_1 1.463698226487591 3396.57958279807 62.93318313957526 1.798987177618071 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Ala-3_1 1.463674975941691 1148.84514880519 22.36554214433877 1.828690061245223 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Ala-3_1 1.46375313155233 743.2746914897468 12.38252653524326 1.987922577114515 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Ala-3_1 1.463364865533756 2095.313270740714 37.24022910311986 1.911982310453308 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Ala-3_1 1.463802317419226 1299.843120810282 26.45478281059321 1.712207692571241 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Ala-3_1 1.462780540890804 291.431240057425 4.909424862999255 2.017217545524651 06_B2_SI_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Ala-3_1 1.462911566977903 796.8266075715795 15.27855064714727 1.819753782690829 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Ala-3_1 1.463915031474139 2214.798759550455 37.08668332235097 1.928718244602026 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Ala-3_1 1.463714839682863 1042.926255048866 15.99593168970225 2.15925258388923 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Ala-3_1 1.464146070791608 1590.86142174269 32.4587955727339 1.71159618564073 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Ala-3_1 1.464778422859861 5194.07073233049 95.6819283505908 1.853354245145599 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Ala-3_1 1.463691651841498 870.0154796444833 14.09387970961729 2.089267721970028 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Ala-3_1 1.46287 876.121318 18.128836 1.731852 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Ala-3_1 1.463818609040193 2135.413511671433 35.94083682097895 1.967674193368915 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Ala-3_1 1.463035970494671 64.01905591838715 1.212808928621544 1.80768454757588 15_C1-20_SI_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Ala-3_2 1.475838505572671 3092.903876473313 62.76816801800619 1.699546993298999 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Ala-3_2 1.475779883898154 1238.499135146652 23.38648287918025 1.86599357851013 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Ala-3_2 1.475871819871949 711.1909931271312 12.32693873506313 1.932613489679776 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Ala-3_2 1.475514179918854 2082.588564671049 37.8459409560188 1.890482800759336 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Ala-3_2 1.475922919146667 1362.058935326774 26.82004658329389 1.749326351127333 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Ala-3_2 1.474909074731862 261.6848653574278 4.943631785167198 1.882015174119056 06_B2_SI_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Ala-3_2 1.47501493328724 910.3631946751901 15.82131257610402 1.938105947314661 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Ala-3_2 1.476025792567737 1809.937821810436 35.71914365042992 1.787664034103245 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Ala-3_2 1.475824449179308 920.9726277895764 15.90637697688782 1.997514245052685 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Ala-3_2 1.476241806887088 1494.845233103419 32.10593243351599 1.653833324755579 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Ala-3_2 1.47687603762535 5076.828819708066 96.84648817392353 1.805736505217344 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Ala-3_2 1.475821811503107 817.4626472641511 14.33386804898818 1.995945614268896 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Ala-3_2 1.47497 1137.940131 20.083308 1.925446 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Ala-3_2 1.47590397276969 2026.591281891036 36.38880436663051 1.919509334844848 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Ala-3_2 1.475078101390984 66.2414626099942 1.231567342786508 1.860443098973186 15_C1-20_SI_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Ala13C-A_1 1.345649668461135 203.3001930654342 3.973926180060771 1.785044129468725 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Ala13C-A_1 1.345595761142835 232.8825021658405 4.072416251730369 2.040492535031468 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Ala13C-A_1 1.345753403790541 118.0590886571878 2.237276464649618 1.888400742987742 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Ala13C-A_1 1.345348853030315 64.8231735891827 1.248082731645671 1.834191192904211 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Ala13C-A_1 1.34575160075948 159.4348262245557 3.308471589394461 1.702066792208534 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Ala13C-A_1 1.34479736034525 53.36577816051887 1.079636618792569 1.78515767563323 06_B2_SI_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Ala13C-A_1 1.344875238653779 61.40007697062384 1.272464980918391 1.688762508357266 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Ala13C-A_1 1.345951598088332 92.28992117185487 1.7333312838032 1.906035573335209 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Ala13C-A_1 1.345750055099963 63.72971875074194 1.235270326608834 1.800159365487381 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Ala13C-A_1 1.346170646225612 73.73805600050133 1.534492587832447 1.704357265417316 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Ala13C-A_1 1.346623251485453 176.7321360121192 3.49227150720184 1.765787699555646 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Ala13C-A_1 1.345678778392519 144.4629774257095 2.795380757477632 1.864661083725483 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Ala13C-A_1 1.344841375170847 87.52653077137153 1.738841575622791 1.763160167807011 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Ala13C-A_1 1.345764788951757 472.4866017589434 8.776057168693445 1.927765556230791 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Ala13C-A_1 1.351931345914282 24.16054364418003 0.46980562953642 1.814068573201008 15_C1-20_SI_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Ala13C-A_2 1.352842846342553 437.6576939462128 8.333604881581522 1.869807641361098 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Ala13C-A_2 1.352772503244562 423.2386823723405 7.532099961675739 2.006944864882432 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Ala13C-A_2 1.352820736154718 284.400585706898 5.077100873619814 2.004501573446913 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Ala13C-A_2 1.352516060467047 149.5200751058915 2.999108773097226 1.864244958278266 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Ala13C-A_2 1.352952656530064 415.3088363901313 7.486730555428629 1.946520969059959 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Ala13C-A_2 1.351859402717826 117.5217137670672 2.186957712625266 1.937130923213708 06_B2_SI_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Ala13C-A_2 1.352068315917771 191.2608906975408 3.590607641440735 1.931534632240455 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Ala13C-A_2 1.353204675603119 177.2095348355885 3.621840737124307 1.803886893493275 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Ala13C-A_2 1.352823160909226 200.9858296013006 3.489058453187802 2.059265762003027 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Ala13C-A_2 1.353396085676343 267.05326632486 4.487616345446184 2.108410545162747 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Ala13C-A_2 1.354021461109506 311.151386694133 6.917055302370204 1.677021339052344 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Ala13C-A_2 1.352754306847427 288.5921241994129 5.436445536137727 1.95042914728103 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Ala13C-A_2 1.351970839925079 243.0785912638551 4.482563502741156 1.966438275745551 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Ala13C-A_2 1.352926743163242 979.1261653275919 17.43850391683347 1.999972524031198 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Ala13C-A_2 1.359170880579325 56.83179180052648 0.529597683442354 3.77008232392742 15_C1-20_SI_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Ala13C-A_3 1.357677247360645 182.136850774741 3.639290730920902 1.764182467152926 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Ala13C-A_3 1.357667609235438 235.8365143677496 3.859334823779505 2.153159265066603 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Ala13C-A_3 1.358811759001535 210.1839554168033 2.991989328291008 3.348337737533354 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Ala13C-A_3 1.358362351765704 107.0663087770185 1.566276672956026 3.258172601958678 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Ala13C-A_3 1.357669692008435 158.1247486007109 3.189664328554964 1.76740324850558 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Ala13C-A_3 1.358367486084121 100.5895608835073 1.454374203183069 2.918827924255734 06_B2_SI_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Ala13C-A_3 1.357924530389946 153.8134641327715 2.034192341770101 3.526211277986404 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Ala13C-A_3 1.357882478320999 135.9721706567562 1.700184143196497 2.653869241599108 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Ala13C-A_3 1.358731369518871 140.2229083085273 1.894793536734268 3.482895718353765 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Ala13C-A_3 1.357855327692397 82.25162353389715 1.662860757113408 1.76703199623704 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Ala13C-A_3 1.358714270825245 69.64236535375368 1.718616675411198 1.415209430955082 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Ala13C-A_3 1.358730114732867 228.4816660187757 3.220927481718844 3.195089691996098 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Ala13C-A_3 1.357829256655654 180.5657313056935 2.637321330235509 3.252196450915048 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Ala13C-A_3 1.357826284316065 527.5372005668173 8.776333465968328 2.105814524880358 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Ala13C-A_3 1.364266796818185 25.53529469660796 0.5123849527252031 1.819746115975883 15_C1-20_SI_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Ala13C-A_4 1.359972638847862 168.3730195206186 3.219952284189893 1.8097310468338 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Ala13C-A_4 1.359930691295565 138.8697396088017 2.674022760560396 1.856554022407458 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Ala13C-A_4 1.364952526904894 289.4274773323314 5.064625487027486 2.009685295395049 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Ala13C-A_4 1.364709723163475 116.3789819318055 2.647851622050287 1.749324787931545 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Ala13C-A_4 1.360101095741756 201.6594841977413 3.307700193459303 2.093461983614541 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Ala13C-A_4 1.36404080380358 98.73116336339535 2.065459608897125 1.762337630313465 06_B2_SI_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Ala13C-A_4 1.364198354598266 198.8792947001267 3.605777926600301 1.959685185684317 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Ala13C-A_4 1.36533259972168 181.0764912392628 3.628684433012776 1.819720574347012 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Ala13C-A_4 1.364994503845893 180.7868248700126 3.235230884131341 2.004450916517202 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Ala13C-A_4 1.360498219212422 122.9802541594171 1.826693373540554 2.287794350952852 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Ala13C-A_4 1.361014661735305 81.89070536029725 1.683628570047105 1.714129072602422 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Ala13C-A_4 1.364910111792886 292.0375235166728 5.382166112112324 1.945396603661734 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Ala13C-A_4 1.364087628575344 266.4361728931021 4.57475011165396 2.045695718682235 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Ala13C-A_4 1.360107794361717 422.9678900583997 7.349731459827874 2.025044994364231 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Ala13C-A_4 1.371522908232599 13.37781161482475 0.2598036427417584 1.79668028077807 15_C1-20_SI_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Ala13C-A_5 1.364953671609274 380.2805408730481 7.828724722145258 1.763326422807511 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Ala13C-A_5 1.364924429778219 342.7494984362513 6.885858276188246 1.835144704342953 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Ala13C-A_5 1.372043023018953 101.450646452897 2.128761938049646 1.708654741495773 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Ala13C-A_5 1.371644213568565 47.15499541780949 1.087266628569303 1.554956493708012 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Ala13C-A_5 1.36508746767373 353.4254166095662 7.194266491970575 1.783788736176149 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Ala13C-A_5 1.371074639650817 47.91374636151576 1.024046462051273 1.709113610899479 06_B2_SI_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Ala13C-A_5 1.371215300739407 49.7345712794823 1.239068575339059 1.479839456493073 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Ala13C-A_5 1.372309415016315 52.62715869557033 1.290028289657341 1.476353596203606 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Ala13C-A_5 1.37205924785433 46.00350677837994 1.149695262205878 1.493709130160457 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Ala13C-A_5 1.365542891481239 231.9958599148626 4.290398425154389 1.931122570882105 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Ala13C-A_5 1.36619277812512 320.9160745366302 7.357394734188604 1.683233876610341 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Ala13C-A_5 1.372013527091991 123.8177461511104 2.478392445601604 1.791180742993413 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Ala13C-A_5 1.371151517020494 93.9380655932049 1.889061200858816 1.756969339672924 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Ala13C-A_5 1.365055042406025 997.8814879791614 17.58797918455691 2.029629286279843 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Ala13C-A_6 1.372030294266852 135.6018083046834 3.332922136315499 1.480679815417875 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Ala13C-A_6 1.371970798152645 122.9978376096587 2.825291032928792 1.601636987614481 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Ala13C-A_6 1.372098115602965 134.5607251002833 3.053091628445629 1.580174591081137 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Ala13C-A_6 1.372395406829418 58.41128262940948 1.385803058579498 1.479839456493073 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Ala13C-A_6 1.373156183798213 121.0856204538141 2.95597006773526 1.510233522965652 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Ala13C-A_6 1.372145839089854 417.7897214902727 8.137669540265316 1.848397147447187 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Ala13C-B_1 1.56191834268893 158.5392241830157 3.573308898409616 1.598571859638915 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Ala13C-B_1 1.561899240426871 166.2222206511146 3.363264503659491 1.771963003546379 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Ala13C-B_1 1.561977527755377 112.7214687272671 2.223863251184543 1.799763933642697 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Ala13C-B_1 1.561586457507266 43.38806130107233 0.9948220667455662 1.549373424384954 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Ala13C-B_1 1.562016701731874 122.8269179071567 2.835131823399757 1.542767376896261 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Ala13C-B_1 1.561086824687229 52.31378191243677 1.011500775571061 1.854285026112892 06_B2_SI_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Ala13C-B_1 1.561138044022946 60.31808962644934 1.338422528952452 1.602730803471361 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Ala13C-B_1 1.562197337575878 49.46689838931752 1.108184644307538 1.563139507193865 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Ala13C-B_1 1.561973856554872 48.44140870157794 1.084791527589291 1.59282071679383 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Ala13C-B_1 1.562332379144827 69.03076767951693 1.607699082408122 1.575332354720476 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Ala13C-B_1 1.563022713678533 120.6972633660817 2.568365390666416 1.639727104488296 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Ala13C-B_1 1.561955140424115 119.7584868847276 2.421216953311864 1.77336930819535 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Ala13C-B_1 1.561081554532943 89.52861205956535 1.792416488386213 1.755421619844362 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Ala13C-B_1 1.562021998264376 403.7467723873133 7.97418013790822 1.825196968307631 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Ala13C-B_1 1.56129624545541 35.95031968196248 0.38 3.301034941861109 15_C1-20_SI_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Ala13C-B_2 1.565471711964671 32.34953695050904 0.8151877435881656 1.505688826618911 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Ala13C-B_2 1.56909335011549 450.1786347879069 7.699575433132698 2.06227332719852 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Ala13C-B_2 1.569124185198622 326.9482753433855 5.107882342288478 2.194731686851676 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Ala13C-B_2 1.56890911082193 151.9631667448025 2.853487052080385 1.92092629766436 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Ala13C-B_2 1.565603353274231 30.8228676242472 0.7815429187651232 1.450394506043288 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Ala13C-B_2 1.568136941154551 152.4838180847548 2.399345372358701 2.196204979117704 06_B2_SI_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Ala13C-B_2 1.568390411873382 289.9345353403348 3.915777840864637 2.434999948770415 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Ala13C-B_2 1.569515164458207 192.5696130333494 3.679719517287539 1.876288579882857 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Ala13C-B_2 1.569222900645691 221.1970400236956 3.430660877611192 2.232253338241407 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Ala13C-B_2 1.565641167883096 71.42255008969181 1.463205345072295 1.833832209278014 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Ala13C-B_2 1.566553888530604 23.53600973449765 0.6222634355006256 1.353014977078167 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Ala13C-B_2 1.569099215391757 336.9076525790195 5.810396990240125 2.066842291005973 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Ala13C-B_2 1.56826789769638 282.3063400716333 4.680495032724003 2.114095368332617 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Ala13C-B_2 1.569235917272752 1041.184409702265 17.44188314710286 2.082884774379918 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Ala13C-B_2 1.568110696136938 24.61529359329448 0.4503099316074181 1.916220249906059 15_C1-20_SI_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Ala13C-B_3 1.569129013467207 463.6488355907662 8.700742923354754 1.899126327874898 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Ala13C-B_3 1.574041391842794 184.9055462106372 3.248612075130906 1.986017381517522 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Ala13C-B_3 1.573886334311065 101.9246320940692 2.023523891623896 1.783963137534981 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Ala13C-B_3 1.575632690536822 149.6419961394158 1.830610084784581 2.85225666516061 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Ala13C-B_3 1.569251053945013 373.9709136827445 7.258090201040386 1.854061616198997 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Ala13C-B_3 1.574554621465384 101.4444616830583 1.511416504668162 3.08618282332132 06_B2_SI_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Ala13C-B_3 1.574598648069669 164.5853148257007 2.299209748791931 3.258024205516756 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Ala13C-B_3 1.574170570933606 66.04990188071618 1.311810065704068 1.771211862088715 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Ala13C-B_3 1.57559520738365 116.3680655129784 1.968438353364092 2.74240268735728 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Ala13C-B_3 1.569674826813885 242.2742569199385 4.32472330579398 2.013846361679839 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Ala13C-B_3 1.570407676225394 470.9675053638893 8.537708376918067 1.976085373044939 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Ala13C-B_3 1.573984375802021 115.5004610793581 2.268519182891752 1.852170233899165 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Ala13C-B_3 1.573006786958359 112.5014243853026 2.015087735970926 1.943377342131174 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Ala13C-B_3 1.574162327712924 560.0971220332509 9.082122843424601 2.160014524315971 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Ala13C-B_3 1.576123886968407 28.98119222936584 0.41 2.466399094155121 15_C1-20_SI_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Ala13C-B_4 1.573949824316984 256.5397937887741 4.466372701702423 2.002825693506056 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Ala13C-B_4 1.5762750156128 249.8728000997066 3.899661558733318 2.23168429565052 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Ala13C-B_4 1.576212956359697 175.3299553276605 2.724681729339709 2.26994403006288 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Ala13C-B_4 1.581002558663552 210.2745887072542 3.33971287642939 2.20586106722502 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Ala13C-B_4 1.573984348696853 193.2006991114926 3.507573046533114 1.943543715548884 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Ala13C-B_4 1.580319589064594 144.574691877378 2.476407643943604 2.081551477688651 06_B2_SI_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Ala13C-B_4 1.580533549901341 256.3215627672794 4.019987958868069 2.189142603678335 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Ala13C-B_4 1.576561963213087 131.9899386905055 1.921484306753433 2.396817388249497 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Ala13C-B_4 1.581310100287686 256.2328688454915 3.794055101508208 2.321125507790448 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Ala13C-B_4 1.575533256443412 248.4196669196948 3.210747156474621 3.455792994892824 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Ala13C-B_4 1.574992046695139 231.8673224532274 3.740918704848581 2.161941129570643 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Ala13C-B_4 1.576208472086752 256.9515425418508 3.370891632028844 2.58378208235511 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Ala13C-B_4 1.575394095706777 149.6871490929611 2.325301066380545 2.263780471199246 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Ala13C-B_4 1.576429600996486 545.4167257135538 8.6860264430079 2.177204813556502 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Ala13C-B_4 1.580406803194887 20.01508943778477 0.4068744222205923 1.734979961753523 15_C1-20_SI_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Ala13C-B_5 1.576301509917991 265.0042113762941 4.482791358862344 2.062151702275416 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Ala13C-B_5 1.581247983683903 634.7293463718632 9.168332244112472 2.352585877119267 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Ala13C-B_5 1.581266636086713 319.020369647135 5.222829760986712 2.131294700940076 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Ala13C-B_5 1.588002521158925 92.69831398792105 1.568883173661705 2.031499712917721 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Ala13C-B_5 1.576354722939613 255.5652284693518 4.016769495115638 2.185740073216671 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Ala13C-B_5 1.587394542858056 75.6804792808839 1.307869951548287 2.065229665409844 06_B2_SI_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Ala13C-B_5 1.58749367494375 81.76829837719245 1.649572315307945 1.777215918750387 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Ala13C-B_5 1.581642458420591 297.8722432031932 4.739464454501142 2.192965134377133 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Ala13C-B_5 1.588341285161251 90.16826943207501 1.643604091304032 1.960409144740699 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Ala13C-B_5 1.581835885665062 305.2456944385133 4.829486399636516 2.192530717427128 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Ala13C-B_5 1.577438917548408 355.5797060609718 4.802512481355252 2.528221459403538 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Ala13C-B_5 1.581246370750269 394.4826188305028 6.513982014847612 2.147138610923167 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Ala13C-B_5 1.580418392482983 336.4376672021693 5.102842425406434 2.254868993424345 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Ala13C-B_5 1.581350049972146 1198.628609172048 19.34519755373225 2.164050805996336 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Ala13C-B_5 1.587700384490564 17.5351855276234 0.3473469787519069 1.761480342272113 15_C1-20_SI_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Ala13C-B_6 1.581272417272101 597.8258961596913 9.782911222423698 2.100139433639941 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Ala13C-B_6 1.588272108422869 285.7923000908925 4.516414606140073 2.162282106944894 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Ala13C-B_6 1.588327769115527 124.1990322709914 2.40793432927474 1.863655784687834 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Ala13C-B_6 1.581389786474484 502.749484542274 8.127240978998321 2.108847694179199 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Ala13C-B_6 1.588553515038856 83.81246238936228 1.769226752992647 1.701083627053847 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Ala13C-B_6 1.58869064993685 92.39471105503152 1.791784421807523 1.805030779647783 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Ala13C-B_6 1.582476266506116 724.4082159607698 10.93859298311994 2.311391311192596 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Ala13C-B_6 1.588307950494213 199.2678320812708 3.252890304207756 2.137463657701685 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Ala13C-B_6 1.587426237064961 136.8663035168872 2.351806383608137 2.033996960164832 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Ala13C-B_6 1.588398536474016 494.383212430013 9.105157497914178 1.937951599845026 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Ala13C-B_7 1.588282120252295 205.1086444863281 4.29920311218476 1.696386339399853 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Ala13C-B_7 1.588378547506042 196.6877660063911 3.772948006344007 1.827545163970939 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Ala13C-B_7 1.586556181007015 80.90525423513577 1.400358713858886 1.963291015509443 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Ala13C-B_8 1.58939722736074 220.8368361456263 4.269598266081875 1.846282786098215 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Asp-3a_1 2.649452652920248 320.5855419563864 5.952935017328051 1.825546759789757 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Asp-3a_1 2.649333228962158 679.5654061898376 5.059258906345516 4.168210389271467 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Asp-3a_1 2.64883178262767 257.4856433736164 2.062895741423382 4.340963498572507 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Asp-3a_1 2.648418428236431 286.95703722197 5.157308630750087 1.878668194465124 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Asp-3a_1 2.64930994254063 476.0897698278773 4.180785349434093 3.572588686824283 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Asp-3a_1 2.647319213627837 177.112697938288 1.384804813139339 4.030613208101023 06_B2_SI_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Asp-3a_1 2.649153713551987 246.2541544809713 3.215924736858166 2.823119465747755 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Asp-3a_1 2.65019921642532 506.0097845252822 8.411213910969161 2.211408715170001 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Asp-3a_1 2.64985910869446 362.071520851275 3.011788950890355 4.202058520502159 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Asp-3a_1 2.650627236577716 260.5774483805849 4.281351938560407 2.496890839680602 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Asp-3a_1 2.652076065391503 842.6643852197246 15.28495972470979 1.883832255587065 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Asp-3a_1 2.649236451661054 312.7712132110002 2.947615134668613 3.651985072236825 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Asp-3a_1 2.648048754143168 474.104424641671 4.428773859364009 3.545274700415597 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Asp-3a_1 2.650608817263408 711.3613917912729 11.89164544616822 2.100864479375353 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Asp-3a_1 2.647188339144876 35.67630727210776 0.2569690697762689 4.505636255390765 15_C1-20_SI_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Asp-3a_2 2.664131153270696 327.1415686755815 5.89001498745921 1.856789910476075 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Asp-3a_2 2.663864054424669 213.8312014229805 3.750659598411392 1.989272995725379 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Asp-3a_2 2.663618201457503 100.8738715523984 1.914249077743035 1.868920946254994 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Asp-3a_2 2.663252250536816 318.0262507576995 5.953273970061606 1.875303217554091 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Asp-3a_2 2.663914980364707 216.1709123710659 4.091691064863317 1.795319178273413 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Asp-3a_2 2.662140381114762 60.54915749519103 1.046636671603685 2.065655710992422 06_B2_SI_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Asp-3a_2 2.662901053975911 97.53026850534347 2.004316837602397 1.718237612898347 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Asp-3a_2 2.664571276920798 400.1216393248836 7.039876385732936 1.964670840365938 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Asp-3a_2 2.663851353567045 156.1943937363434 2.626997149649211 2.082968940356266 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Asp-3a_2 2.664518989937219 336.724447889287 5.253638691808109 2.155500814039657 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Asp-3a_2 2.666570307023206 447.0777933254616 8.81341259178357 1.753883800288086 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Asp-3a_2 2.663769881431928 101.2914431414084 1.873633224834044 1.889048068959054 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Asp-3a_2 2.662713933680327 185.3301763225273 3.52118984263927 1.852243706755199 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Asp-3a_2 2.664974210408707 370.5292383944443 7.117079331176605 1.856824095601653 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Asp-3a_2 2.66214 18.882799 0.16 4.117915 15_C1-20_SI_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Asp-3a_3 2.678636229984475 365.6544556681321 8.003853038772316 1.59624459484013 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Asp-3a_3 2.678008457095405 493.6383588304976 6.137184291489324 2.758232050437554 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Asp-3a_3 2.677779609556813 226.0544767720646 2.775815035193777 2.695960896513346 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Asp-3a_3 2.67754403085318 597.48945846877 9.611248096504799 2.163674312011938 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Asp-3a_3 2.678120661702317 450.3152166397618 6.019739066378667 2.484698279707135 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Asp-3a_3 2.676466529118846 120.1195753231179 1.916210115447178 2.196204979117704 06_B2_SI_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Asp-3a_3 2.677258399764643 177.7476707837085 2.906634209246346 2.075547987004042 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Asp-3a_3 2.67890508327701 632.8832136112285 10.31000634449017 2.032937524659763 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Asp-3a_3 2.67798225868158 248.3477192386428 3.127539183798874 2.678256110568323 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Asp-3a_3 2.679136432266824 302.5223073491911 4.946822204093206 2.044847925972085 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Asp-3a_3 2.681127084734609 789.6242358450905 14.68626551660183 1.858289733271091 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Asp-3a_3 2.677925472391888 311.0016762716934 3.65523840462739 2.78292420540795 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Asp-3a_3 2.677140764533155 398.9921790857848 5.888456558456233 2.244968974151437 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Asp-3a_3 2.679324603614022 952.6026148694276 14.20998845508709 2.300958340051932 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Asp-3a_3 2.676659496143428 24.49799754489593 0.3511411552787136 2.322200343779231 15_C1-20_SI_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Asp-3a_4 2.693267781862185 364.0561388324876 7.796069835320854 1.629384570018241 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Asp-3a_4 2.693044763862344 263.2435366255384 4.707514272550087 1.934361717172439 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Asp-3a_4 2.692745574466686 106.4819947135935 2.061709028612678 1.799136685033774 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Asp-3a_4 2.692410479239211 443.5392951186391 8.221375770895548 1.87316579107837 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Asp-3a_4 2.693107993704293 237.9787081351363 4.69481634481651 1.733841380903157 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Asp-3a_4 2.691375301215708 87.2790260890108 1.4847289639112 2.053701920344297 06_B2_SI_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Asp-3a_4 2.692057597294587 121.4780430928237 2.50335502896112 1.713091981319802 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Asp-3a_4 2.693765582659106 458.2931519623599 9.214657969628245 1.752722738160374 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Asp-3a_4 2.692985696503968 138.3758675176069 2.48249023780482 1.940718957964689 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Asp-3a_4 2.693816850086499 194.9762749780145 4.068363440509298 1.669164199009676 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Asp-3a_4 2.695745671792548 666.726412347409 13.92914226249658 1.699074931529083 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Asp-3a_4 2.692840126214217 162.3709335268106 2.806796421815573 2.009721191230591 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Asp-3a_4 2.691907765834188 290.3560031640886 5.115406711199741 1.935280014915287 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Asp-3a_4 2.694175609835108 820.8288510152506 12.24469297558331 2.220327410247588 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Asp-3a_4 2.691326537492979 12.83152947944042 0.2439578001748868 1.741899544411438 15_C1-20_SI_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Asp-3b_1 2.788377131006617 548.7109239511118 8.824190207036073 1.975696882250306 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Asp-3b_1 2.788399245973321 492.7123162564657 5.97150102599701 2.53885292599889 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Asp-3b_1 2.78856310595982 247.8621783812896 2.859725882997227 2.666941516905825 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Asp-3b_1 2.788214576473744 667.9526752036967 9.126795545126493 2.284811531459013 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Asp-3b_1 2.78852884211571 306.3163729694251 5.707295375505173 1.823841576632385 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Asp-3b_1 2.787812010915435 115.8693642525436 1.795366475439931 2.17225737687483 06_B2_SI_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Asp-3b_1 2.787686797163306 143.8861184504421 2.77415601089711 1.795602888541253 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Asp-3b_1 2.788340367348844 640.4600447387983 10.11882589897192 2.068905656396594 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Asp-3b_1 2.788417156549926 173.8196903941255 2.875500861350053 2.060885040446015 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Asp-3b_1 2.788659836308622 252.5518624989449 4.328231566562936 1.925681801664669 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Asp-3b_1 2.78872459152299 933.0900846380977 15.01126587236049 2.042247285085342 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Asp-3b_1 2.788442872089411 238.5861655624905 3.532706965028882 2.255017772937961 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Asp-3b_1 2.787647067553603 414.4314664520646 5.972102294856231 2.213938467882111 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Asp-3b_1 2.783923522971063 635.7338750902055 3.692839982812569 6.960505797384089 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Asp-3b_1 2.787984263991543 31.56091714991586 0.4323523387947962 2.322794950603141 15_C1-20_SI_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Asp-3b_2 2.794385437808677 431.9181210270785 8.526431348942472 1.730331898349933 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Asp-3b_2 2.794455353712155 327.9300182444194 5.309348504247186 2.112179527622428 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Asp-3b_2 2.794653104750117 162.8259734016939 2.462634518629536 2.205616350869111 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Asp-3b_2 2.794289052757245 452.0290418965155 8.333405417549994 1.86785686194287 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Asp-3b_2 2.794557777167893 357.3557851564719 5.490689656027699 2.10196961080309 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Asp-3b_2 2.793868159972436 117.645229625745 1.703146796304073 2.301162178973002 06_B2_SI_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Asp-3b_2 2.79376993090035 205.3356992464409 2.999505461014919 2.192827951056688 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Asp-3b_2 2.794465072825211 571.2640185013 10.04955193105513 1.925218804683161 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Asp-3b_2 2.794541203850332 235.4781760086063 2.965017868462074 2.493510230321027 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Asp-3b_2 2.794782717712117 211.3195377886015 4.18871311034396 1.740140392159638 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Asp-3b_2 2.794913876552144 746.1151854655769 14.14129554705229 1.814664857756667 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Asp-3b_2 2.794501613758905 261.1884110704868 3.406042331585 2.514238386999669 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Asp-3b_2 2.793710610360707 467.6039174964189 5.920988750828844 2.467666382628511 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Asp-3b_2 2.794099315973451 1172.072787351432 14.89446922932716 2.666432619174022 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Asp-3b_2 2.794152108058097 24.39118779870003 0.3489423828190105 2.28928433271085 15_C1-20_SI_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Asp-3b_3 2.817526088536878 412.6093488959208 6.193429972191851 2.049913183842713 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Asp-3b_3 2.817614932369816 247.7596168899651 3.745551565004611 2.110728203913883 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Asp-3b_3 2.817830932335136 123.2787017263424 1.818525963399 2.179726464649195 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Asp-3b_3 2.817381858333685 374.4298086727181 6.082776897482939 2.021171253238531 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Asp-3b_3 2.817700910244928 204.5839811337832 3.760293902995209 1.823841576632385 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Asp-3b_3 2.817026635075985 70.53564592544217 1.171672711170975 2.053701920344297 06_B2_SI_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Asp-3b_3 2.8169740177213 129.5693499032405 2.096711319228644 1.995796023572486 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Asp-3b_3 2.817544860285162 396.1337302225061 6.673975769457604 1.951876028271246 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Asp-3b_3 2.817655997399441 132.7374323780452 2.081452229120171 2.127944438317733 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Asp-3b_3 2.817837278877866 198.0552109812924 3.17728143758167 2.018075938597096 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Asp-3b_3 2.817950657766977 575.4211114024451 10.39289860311839 1.88146590094763 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Asp-3b_3 2.817700058553122 123.0418855699286 2.126755436449244 2.00463555214976 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Asp-3b_3 2.816901920758274 250.577323919131 3.849434577865527 2.113919712295094 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Asp-3b_3 2.817321047141493 587.2330144326019 8.745550653376196 2.168581843246101 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Asp-3b_3 2.817378376948886 11.33189661135694 0.2309818682135724 1.711810457827975 15_C1-20_SI_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Asp-3b_4 2.8235971961319 265.2190136742606 5.253028041756578 1.724617859017239 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Asp-3b_4 2.823603832744027 200.6249914941583 3.316528085812775 2.110728203913883 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Asp-3b_4 2.823774741110107 90.74806219564742 1.655295936362095 1.926466196308388 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Asp-3b_4 2.82350287682819 355.8710128559389 5.720187292359442 2.050242461561561 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Asp-3b_4 2.823734536832009 211.3790258794744 3.476989374502919 1.990377294550914 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Asp-3b_4 2.823019582196152 75.25326050052635 1.122990697708416 2.318126666283884 06_B2_SI_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Asp-3b_4 2.822937205893568 128.6920909644066 2.052875957807344 2.082771142023742 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Asp-3b_4 2.823664747482996 345.9960938220379 6.300096022572189 1.87463459384593 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Asp-3b_4 2.823674814892123 141.9361637380032 2.104049839240832 2.281396074979359 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Asp-3b_4 2.823953376416023 154.9816737415987 2.805901386987827 1.858717608308836 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Asp-3b_4 2.824060790693511 497.369448459594 9.391541896815014 1.830152308232722 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Asp-3b_4 2.823675531526272 129.8702151706341 1.994512057426393 2.245520875890116 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Asp-3b_4 2.822910011510721 247.5941125691257 3.660985539379651 2.221890471346248 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Asp-3b_4 2.823287565904342 612.1240241533296 8.041804706081802 2.472076049202655 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Asp-3b_4 2.823315296483382 10.83666548162374 0.235718980459935 1.604102348638907 15_C1-20_SI_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A CXP-6_1 8.145477935289614 78.37021779417864 1.981441879319834 1.431748095346631 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A CXP-6_1 8.146041776032899 59.50625259819672 1.377747015547545 1.592372575115196 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A CXP-6_1 8.146895331556392 50.51289085414983 1.245418294900839 1.51662032371777 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A CXP-6_1 8.14637230662378 35.76492728045503 0.8822083514630947 1.476825659607855 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A CXP-6_1 8.146205457723847 102.8932331764507 2.585548889490734 1.445404518608347 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A CXP-6_1 8.14696 11.392455 0.273591 1.550003 06_B2_SI_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A CXP-6_1 8.14556082107242 69.81957080751482 1.734875522433353 1.492253732518308 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A CXP-6_1 8.14485271832094 116.462028576344 2.841002189245144 1.518231185572433 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A CXP-6_1 8.14619606973127 49.39839136967957 1.087280810349551 1.654029903447356 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A CXP-6_1 8.145678574002218 82.29455231273502 1.964795747219469 1.501689939981893 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A CXP-6_1 8.142851599717947 165.8743825292909 3.792034739901376 1.568316117330835 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A CXP-6_1 8.146672334814758 32.7433180784756 0.7385849340324419 1.589457194011078 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A CXP-6_1 8.145862379291277 39.53881665914047 0.9276319984165365 1.583873978868308 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A CXP-6_1 8.14386956493736 73.16637165607942 1.718443530637595 1.526521224834669 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Creat_1 3.02360290851134 8350.09353513889 179.3376154597492 1.652571590085112 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Creat_1 3.02367161861972 7258.42396439909 149.9978523669906 1.784057540963635 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Creat_1 3.023902362834668 6332.040474794162 122.7403531004726 1.817935947288184 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Creat_1 3.023511048023237 4693.892915970858 91.81810048735758 1.803848040540001 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Creat_1 3.023844801282174 7487.303523060717 156.4117402792016 1.685632615140611 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Creat_1 3.023101654317376 1886.180965233042 37.02878819151531 1.826292989818676 06_B2_SI_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Creat_1 3.022979088710787 7921.210975787544 161.4197858672281 1.755029219347142 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Creat_1 3.02373034034737 15494.00412290948 318.0956618961885 1.741234612012128 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Creat_1 3.023765539174963 8495.819996985088 161.5824756875374 1.871446836871775 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Creat_1 3.024086868640875 12186.85647623955 250.7872061535094 1.704844654999572 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Creat_1 3.02419112242122 26050.3677411501 531.9175184860483 1.748375688958804 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Creat_1 3.023783841148125 5523.523054593734 104.6717695134417 1.890892675091621 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Creat_1 3.022951915754509 5766.453609793118 113.3102634656096 1.824593599295049 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Creat_1 3.023463730204307 14805.50190802383 299.7416694626835 1.801527646638231 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Creat_1 3.023355007228004 622.9729969503778 12.03594573212546 1.82747332163739 15_C1-20_SI_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Cys-3-GSH_1 2.928452468984156 485.9385457119456 6.663359456578616 2.545709117343934 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Cys-3-GSH_1 2.928580306126232 470.6504457044804 5.451120702506188 3.007227954137347 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Cys-3-GSH_1 2.928453398035467 390.574344041629 5.020550500013775 2.679482856669307 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Cys-3-GSH_1 2.928360654469647 422.0438512407309 4.778978479533849 3.152018702976655 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Cys-3-GSH_1 2.92870889733054 493.0062502880518 6.186783806530771 2.764145144015351 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Cys-3-GSH_1 2.927498179683859 152.8774955388517 1.703446348719454 3.040320449258444 06_B2_SI_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Cys-3-GSH_1 2.927714100604691 395.0476689937611 4.98528048127044 2.764972825763162 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Cys-3-GSH_1 2.928652917287983 594.6037632947431 7.818237138213759 2.638917891490221 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Cys-3-GSH_1 2.928478752988136 459.6106278173174 5.419978969722787 2.921648672103706 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Cys-3-GSH_1 2.928867277390635 436.4045811739834 5.670190424795451 2.632327293324413 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Cys-3-GSH_1 2.929530452803571 1334.221417955084 15.55804735007874 2.908986447615046 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Cys-3-GSH_1 2.928474325550815 369.286927025111 3.947676332058812 3.161788147010975 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Cys-3-GSH_1 2.927693979889257 387.2579085596007 4.462687711867444 2.954946794413418 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Cys-3-GSH_1 2.928525926728017 920.7191358610729 11.99533239090784 2.670578791135978 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Cys-3-GSH_1 2.92739606434004 33.79766403098903 0.3910801221773445 2.807694822147439 15_C1-20_SI_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Cys-3-GSH_2 2.944459797667925 383.0586317645744 6.201686289455452 2.176758906144872 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Cys-3-GSH_2 2.944433835967064 350.492441600641 5.279036379952576 2.353934816420533 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Cys-3-GSH_2 2.944558668746055 350.1441794015461 5.059498388453668 2.435835138692795 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Cys-3-GSH_2 2.944089756244799 321.4048233759947 4.920973554137172 2.306177370785345 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Cys-3-GSH_2 2.944542169047725 397.2539480428111 6.25055821285971 2.251350752952606 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Cys-3-GSH_2 2.943613135609314 94.61503624468443 1.481749116152098 2.330806342425386 06_B2_SI_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Cys-3-GSH_2 2.943634736708421 372.6170703431703 5.181300740511945 2.493181755754082 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Cys-3-GSH_2 2.944649553285689 534.8075121009833 7.949115932014129 2.353911773943408 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Cys-3-GSH_2 2.944490991474557 386.0849990433776 5.366714374156094 2.549639637285776 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Cys-3-GSH_2 2.944907698948529 417.8783892584461 5.758865143277839 2.471062191407249 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Cys-3-GSH_2 2.945418150972805 944.4104721292283 14.75037506995889 2.275752748820072 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Cys-3-GSH_2 2.944485195060883 233.5724133021851 3.434990000776173 2.435045542889246 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Cys-3-GSH_2 2.94364895762028 278.2002091717702 4.07376273867884 2.382827930554023 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Cys-3-GSH_2 2.944601572665593 656.6945909041455 9.876385287207512 2.371906638499248 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Cys-3-GSH_2 2.944064801262451 21.230581545307 0.3121551737246235 2.311205718749481 15_C1-20_SI_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Cys-3-GSH_3 2.95228067223467 485.0106863681964 8.099543963038487 2.146927280065825 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Cys-3-GSH_3 2.952295321503624 392.5703985641375 6.341540507688906 2.282308484270285 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Cys-3-GSH_3 2.952292717246172 388.9726988636685 5.662982465149728 2.426788155701666 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Cys-3-GSH_3 2.952074785665872 377.0516394283159 5.815034178805938 2.33353268964912 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Cys-3-GSH_3 2.952468025374237 450.0267515166924 7.244413032007501 2.227212839326062 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Cys-3-GSH_3 2.951492444390211 112.5880215925646 1.826506726551286 2.266284000308409 06_B2_SI_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Cys-3-GSH_3 2.951517926670483 367.5873896513423 5.677207766859198 2.348582429529567 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Cys-3-GSH_3 2.952455328662565 629.5630679583104 9.476260059111606 2.360620751861519 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Cys-3-GSH_3 2.952303733713099 402.3071750758047 5.938283926122763 2.444194957261582 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Cys-3-GSH_3 2.952686790155139 483.4566362013376 6.956805836985615 2.424814972096627 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Cys-3-GSH_3 2.953301126954884 1197.055605789085 18.12977498540289 2.334286225009043 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Cys-3-GSH_3 2.952347415510065 273.0182176851869 4.224268532534172 2.342131229592218 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Cys-3-GSH_3 2.951477904391545 323.6479045167105 4.845958165931293 2.389768083206102 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Cys-3-GSH_3 2.952342769757849 830.3706594314776 12.68050338730817 2.36501792857133 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Cys-3-GSH_3 2.951747240473396 31.00429961365214 0.4678430418221656 2.312345430665172 15_C1-20_SI_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Cys-3-GSH_4 2.968433200100966 335.9086981888701 5.519718183512351 2.169524338143314 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Cys-3-GSH_4 2.968384524723108 350.844786693097 4.960648125815109 2.498411932617742 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Cys-3-GSH_4 2.968435877285328 366.529147784583 5.184399394967358 2.482343451151718 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Cys-3-GSH_4 2.968063378349344 299.8551221034871 4.277618346304767 2.453961441855697 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Cys-3-GSH_4 2.968495770560331 361.6621708901225 5.516355262765233 2.323675269460565 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Cys-3-GSH_4 2.967575760025586 96.08497421535645 1.470326747473742 2.318858576119792 06_B2_SI_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Cys-3-GSH_4 2.967625656111453 295.4046426724357 4.581145296566665 2.323196108742125 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Cys-3-GSH_4 2.968598910065864 501.7264754563523 7.447376276213895 2.387653601936183 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Cys-3-GSH_4 2.968433200100966 353.1101624081056 5.027865648808523 2.512758777654889 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Cys-3-GSH_4 2.968829138593756 356.8179046891658 5.446827198820684 2.327159381304766 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Cys-3-GSH_4 2.969357269466525 1005.238143014401 14.46078205104762 2.457473790067196 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Cys-3-GSH_4 2.968504350372088 212.4413779558003 3.088045361284346 2.43022516914881 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Cys-3-GSH_4 2.967575760025586 273.0967982301556 4.052172093134358 2.394820288119593 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Cys-3-GSH_4 2.968575760025586 689.8214934097849 10.19266720597255 2.415996364575165 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Cys-3-GSH_4 2.967579366203693 26.91215051211437 0.3543786486560344 2.487479428293198 15_C1-20_SI_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A DSS_1 0.0001917376649277819 22436.87948128028 506.3973970905292 1.545973167421305 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A DSS_1 0.0003090244325957101 23605.34191484272 509.366044391896 1.664241575517274 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A DSS_1 0.00042177270736064 21296.3416771877 501.7869965336521 1.481897074083375 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A DSS_1 0.0001804039816419667 22401.83360514827 509.4902263342458 1.552587052247261 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A DSS_1 0.0003927484674645345 22388.58369057725 518.2073701015942 1.536887732629017 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A DSS_1 -0.0001616432334119696 22786.13891735655 526.7758343690374 1.581820045008109 06_B2_SI_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A DSS_1 -0.0004165147068544195 22527.24632708053 501.7666413557673 1.612650954145628 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A DSS_1 0.0002302276698829684 23759.34397954749 507.6055843113355 1.685558474288446 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A DSS_1 0.0003265140845169987 23168.51306634412 476.1467473835799 1.731417450420168 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A DSS_1 0.000298738670991356 23439.42298378977 450.6980680121204 1.8069636728793 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A DSS_1 0.0004531463917746758 24079.76807701691 510.669000276067 1.67210034750107 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A DSS_1 0.0003189277137050235 23525.86397159549 478.5862025475841 1.773038848232525 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A DSS_1 -0.0004424330001316477 22430.00292128367 475.590885286577 1.661970335942797 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A DSS_1 -6.12778537874167e-05 23831.72014377801 489.991180117098 1.748100152535175 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A DSS_1 0.0001425844504527361 23467.73600656851 540.5781790438548 1.541385869569136 15_C1-20_SI_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A For_1 8.444032034130707 133.6608119633065 3.266071617643287 1.410038054060431 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A For_1 8.443928693672694 195.6047110290687 4.700153008592466 1.554018286571706 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A For_1 8.44400201446587 137.2231720682567 3.240744965798923 1.510137213239702 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A For_1 8.443664660099762 133.0803650639953 3.066587045882204 1.550253121895809 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A For_1 8.444094646977732 127.548946055206 3.279647153741675 1.374921544917451 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A For_1 8.4430126328755 77.71000238386337 1.764000701155803 1.600013675003251 06_B2_SI_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A For_1 8.443168573534546 166.593313216433 3.999592927069331 1.492950697466161 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A For_1 8.444213674069196 149.3715346925636 3.528781256113291 1.504446675240153 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A For_1 8.443934785998001 128.3558039568954 2.844429317837648 1.614608365003485 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A For_1 8.444418570586015 109.0493834037273 2.599535339593282 1.463342205537445 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A For_1 8.445122291593997 177.0775788783292 4.514722494678817 1.42503058773407 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A For_1 8.443920570567299 130.4685825301793 2.92956542436563 1.645678397887568 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A For_1 8.443105227435808 92.05481797704576 2.209392917928554 1.485997012272592 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A For_1 8.44418256104338 168.3072052495354 4.16640646652011 1.532730756994156 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A For_1 8.44320933353324 96.10720240863772 2.375422477618584 1.450579941079347 15_C1-20_SI_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Fum_1 6.510553530854392 107.8143391019897 2.738130653992553 1.370221718975067 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Fum_1 6.510505050440837 38.7961229369228 0.8422591888659688 1.607213347721878 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Fum_1 6.51060072215001 16.91482892027723 0.3852102012993592 1.4921657943473 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Fum_1 6.510143599018684 65.45756400559756 1.472519920307195 1.534648325252075 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Fum_1 6.510589934688288 41.05548388614047 1.022862840493833 1.366647585306189 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Fum_1 6.509459601994322 21.06043446914028 0.3058404387536461 2.118849227066498 06_B2_SI_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Fum_1 6.509802743866154 14.93529389872505 0.3329941613581298 1.506555747543734 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Fum_1 6.510692565006718 43.72041735889005 1.023087442791838 1.525571650839627 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Fum_1 6.510491544215971 19.55095545018231 0.4303170292052844 1.585296184958473 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Fum_1 6.510921884482474 53.61473775767841 1.310096591717064 1.42503058773407 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Fum_1 6.511572742598521 119.0419680492266 2.941499538748789 1.431358737297108 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Fum_1 6.510574006008494 21.35287446969689 0.4172312901943582 1.772537403353811 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Fum_1 6.509742514316216 19.29339546897129 0.4504165868201299 1.494600945150664 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Fum_1 6.510655595148338 30.12017243248629 0.6800865116434016 1.534648325252075 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A GSH+GSSG-3_1 2.137321421031784 451.58117243137 6.64950647450516 2.524734253923851 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A GSH+GSSG-3_1 2.137188047329202 341.0282210424505 4.595634233531894 2.660550198575788 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A GSH+GSSG-3_1 2.137542423448217 238.1250056176783 3.180068901943809 2.707953885010113 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A GSH+GSSG-3_1 2.137237986113112 368.4125635332807 4.910996788934421 2.76577182780444 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A GSH+GSSG-3_1 2.137545063914615 353.6473044023425 4.90834555663166 2.683299579184312 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A GSH+GSSG-3_1 2.13654 82.172132 1.216897 2.528781 06_B2_SI_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A GSH+GSSG-3_1 2.136520686377125 428.359801702631 5.381533432826088 2.921198465848277 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A GSH+GSSG-3_1 2.13755278573616 753.1643762861629 10.62313432622543 2.691875886306893 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A GSH+GSSG-3_1 2.137417121165973 288.725903998969 4.262716519352121 2.587231396947761 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A GSH+GSSG-3_1 2.138103650585229 591.7405840211694 7.349236315697705 2.986418763707291 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A GSH+GSSG-3_1 2.138326033719335 1055.65936540805 15.00243251654371 2.651589806530028 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A GSH+GSSG-3_1 2.137263351721466 195.5400424623498 2.836077720286112 2.562762694455872 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A GSH+GSSG-3_1 2.136611178810569 304.6841800943982 4.002223217054627 2.762608062987466 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A GSH+GSSG-3_1 2.137352726114434 628.8133650893102 8.17483162250445 2.819050215668842 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A GSH+GSSG-3_1 2.136577535450664 12.51042154063691 0.2072751095992128 2.181719780829329 15_C1-20_SI_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A GSH+GSSG-3_2 2.150277503683102 902.6917719459752 9.85192799011466 3.197048439507395 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A GSH+GSSG-3_2 2.150289623259184 576.9939982489238 6.470983982996181 3.179362292675401 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A GSH+GSSG-3_2 2.150378436608423 725.1897973442361 6.982978302124462 3.566444054322879 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A GSH+GSSG-3_2 2.150141949938737 773.1683553981841 7.793840799066441 3.3978603442542 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A GSH+GSSG-3_2 2.150475315328673 734.5010874407571 7.909458504252416 3.226321355744259 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A GSH+GSSG-3_2 2.14947 194.417715 2.057038 3.41106 06_B2_SI_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A GSH+GSSG-3_2 2.149455382242078 652.1668068244079 7.121288615646499 3.244047776164741 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A GSH+GSSG-3_2 2.150463325348961 1214.487428483113 13.98586455252081 3.029944455172275 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A GSH+GSSG-3_2 2.150398717958398 606.3578166140505 6.7734933860583 3.145942561569069 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A GSH+GSSG-3_2 2.150987436288517 1337.564358724697 11.85594282676487 3.736480537022387 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A GSH+GSSG-3_2 2.151282120102053 2547.108660033172 25.52738599695875 3.364877504787771 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A GSH+GSSG-3_2 2.150300493028736 404.0775853405926 4.370397343196801 3.277808428682511 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A GSH+GSSG-3_2 2.14951984202628 547.945286075768 5.78273509658782 3.291043963706553 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A GSH+GSSG-3_2 2.150346035437174 1006.435128403439 10.9462290367351 3.208131912004523 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A GSH+GSSG-3_2 2.150112963238949 46.84398388784378 0.4780475128788891 3.689638495177925 15_C1-20_SI_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A GSH+GSSG-3_3 2.162071159035641 846.8065227206494 7.634690528684 4.084452931670706 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A GSH+GSSG-3_3 2.161967195058475 532.4501012942852 4.912800787799632 4.1122031403444 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A GSH+GSSG-3_3 2.162335038079098 795.9630413948113 6.226028903319976 4.627137565992673 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A GSH+GSSG-3_3 2.162195048026661 495.7150829541497 5.474308840663097 3.936096195165125 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A GSH+GSSG-3_3 2.162222266786255 689.6546819227821 6.361670944817508 4.102966274924666 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A GSH+GSSG-3_3 2.16085 168.761127 1.565223 4.056713 06_B2_SI_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A GSH+GSSG-3_3 2.160937380694802 578.5023577270343 5.491290718514334 3.843539403812615 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A GSH+GSSG-3_3 2.161865042980083 1030.231731413945 10.16632891538627 3.735713972280254 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A GSH+GSSG-3_3 2.162074234759632 881.5372854647575 5.51641626097677 5.575895390334661 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A GSH+GSSG-3_3 2.163488079343416 1367.59911278182 9.515996866303526 6.235313882491865 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A GSH+GSSG-3_3 2.162115823264275 1044.111133874561 13.62799248707021 2.67316008113416 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A GSH+GSSG-3_3 2.161879924301933 455.0891831410776 3.541585556022066 4.527299016267379 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A GSH+GSSG-3_3 2.16084434312387 447.4540642734626 4.31538533022584 3.867520419373376 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A GSH+GSSG-3_3 2.161739097094709 828.1357799960551 7.850360924666985 3.740555163626327 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A GSH+GSSG-3_3 2.16526943065222 112.7801398908585 0.6575988588434918 5.811204155472439 15_C1-20_SI_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A GSH+GSSG-3_4 2.173905104009757 109.7205414721655 1.929080826356818 1.998839704643612 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A GSH+GSSG-3_4 2.173741424346771 77.76578077525461 1.377984970743686 2.033386346665375 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A GSH+GSSG-3_4 2.174036010139461 115.6824970186841 1.765104859566675 2.319923132315869 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A GSH+GSSG-3_4 2.173579899685678 100.3647866028111 1.629114015002488 2.194196411487542 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A GSH+GSSG-3_4 2.173995845560948 100.702046161646 1.693327096023476 2.132180813542024 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A GSH+GSSG-3_4 2.17304 28.93875 0.505947 1.997955 06_B2_SI_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A GSH+GSSG-3_4 2.173178369400872 93.00799715290792 1.571568212172983 2.130053498592994 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A GSH+GSSG-3_4 2.174056588061344 208.2968340102392 3.117230837813661 2.352415505036568 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A GSH+GSSG-3_4 2.17413672154851 83.99691323679419 1.325276033084545 2.20134859417212 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A GSH+GSSG-3_4 2.174620349830655 99.39887399098933 1.647214086675641 2.170598499198084 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A GSH+GSSG-3_4 2.164866607676025 1303.802049753568 12.42908965946741 3.660187217452037 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A GSH+GSSG-3_4 2.173890595603148 48.57797252617014 0.8310696091313057 2.099255935265574 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A GSH+GSSG-3_4 2.173022378257896 73.99148254438956 1.254237088798948 2.128941790357806 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A GSH+GSSG-3_4 2.173464598194901 120.6596665620398 2.08086356919234 2.040437608311226 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A GSH+GSSG-3_4 2.1786 12.51042154063691 0.2072751095992128 2.181719780829329 15_C1-20_SI_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A GSH+GSSG-3_5 2.174779086691168 332.6950220996151 5.627847704560676 2.112394452570376 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A GSH+GSSG-3_5 2.176460455324329 123.6252907754741 1.327048018882398 3.318787083714563 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A GSH+GSSG-3_6 2.177865991215528 269.2556460589993 3.058736524091306 3.076887237928701 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A GSH+GSSG-4_1 2.491612061976806 128.9049526755356 1.532596796779613 2.974135567997952 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A GSH+GSSG-4_1 2.491600768013813 105.3547057129348 1.108501665057483 3.394638854206826 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A GSH+GSSG-4_1 2.491829910168886 116.3757046565137 1.260492345925861 3.24542196082262 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A GSH+GSSG-4_1 2.491376474525991 104.1267872261971 1.203099208054096 3.103041769562518 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A GSH+GSSG-4_1 2.49182373746905 128.3508187534626 1.385934739242117 3.231371007316028 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A GSH+GSSG-4_1 2.4911989168028 23.43831423182543 0.3060387478296044 2.614119847309598 06_B2_SI_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A GSH+GSSG-4_1 2.490832143594838 92.75319078704888 1.127420243578117 2.893119603725788 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A GSH+GSSG-4_1 2.491467658402382 187.3512119956013 2.40306584102462 2.831656769243787 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A GSH+GSSG-4_1 2.491596945869993 96.78130593278495 1.219048910897543 2.911199331297105 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A GSH+GSSG-4_1 2.491650621951594 154.2336720212008 1.821112334747701 3.026497767758995 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A GSH+GSSG-4_1 2.492007844533074 413.3851500127465 5.105862722564336 2.878529148957147 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A GSH+GSSG-4_1 2.491846716720596 67.47698469662282 0.69866431088442 3.477314103249406 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A GSH+GSSG-4_1 2.490833386901996 57.75112492741717 0.7537098647880275 2.69843383436787 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A GSH+GSSG-4_1 2.49158962923781 152.3684600982461 1.521113108997895 3.80065430771158 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A GSH+GSSG-4_1 2.516347566009346 39.09153654679467 0.4435025764380115 3.034505633949967 15_C1-20_SI_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A GSH+GSSG-4_2 2.50431696961319 255.5533546354795 3.419629529262002 2.661872989298208 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A GSH+GSSG-4_2 2.504233965772884 194.561949893188 2.399321008190118 2.897994485582744 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A GSH+GSSG-4_2 2.504575753583218 216.2172800223236 2.723423617477724 2.78148454894883 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A GSH+GSSG-4_2 2.504138246677247 207.9758587558886 2.601418634615607 2.822635879899971 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A GSH+GSSG-4_2 2.504443136639016 228.3520007112591 2.863339642352153 2.81979025119636 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A GSH+GSSG-4_2 2.503781270857902 55.89057927761513 0.749593529918203 2.601619283622005 06_B2_SI_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A GSH+GSSG-4_2 2.503718315905337 185.0827112343844 2.463203847267549 2.678306578207704 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A GSH+GSSG-4_2 2.504444168479734 370.3384625059145 4.966022661824587 2.673724871594249 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A GSH+GSSG-4_2 2.504356718547361 216.4488952535571 2.701625948072691 2.885700225397003 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A GSH+GSSG-4_2 2.504620370025628 290.8923115675718 3.590979802626419 2.915202979071989 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A GSH+GSSG-4_2 2.49789049413265 96.63311992158168 1.626903807915027 2.15927934290372 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A GSH+GSSG-4_2 2.504232055432225 131.1959573121415 1.57921428344177 2.956071043541822 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A GSH+GSSG-4_2 2.503467706083897 148.3753808743589 1.919868338736914 2.806093101074271 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A GSH+GSSG-4_2 2.497979203878131 155.1667782721125 1.443795207087701 3.643815217105459 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A GSH+GSSG-4_2 2.541313157223818 23.69703918443029 0.3000939112276243 2.744185509098904 15_C1-20_SI_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A GSH+GSSG-4_3 2.517130192194226 490.7588382111781 6.888498617594395 2.471948013455108 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A GSH+GSSG-4_3 2.517003065018732 332.716938821859 4.61016586785263 2.598402477419486 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A GSH+GSSG-4_3 2.517316870476174 348.6158973548845 4.642220904202324 2.637537688849954 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A GSH+GSSG-4_3 2.516898563807017 370.4724452349178 4.846975111557289 2.688786387736072 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A GSH+GSSG-4_3 2.517165551045936 380.7109265483772 5.393715978333775 2.477661207194517 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A GSH+GSSG-4_3 2.516477178711164 111.9739231491051 1.441132959502294 2.711089188559749 06_B2_SI_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A GSH+GSSG-4_3 2.516494961483022 345.3410339082707 4.566767794738706 2.665683503620941 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A GSH+GSSG-4_3 2.51718886785832 685.2461385145838 9.510478231315084 2.514057477255998 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A GSH+GSSG-4_3 2.5171853044359 391.1705586941061 5.105880824198577 2.721123254870838 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A GSH+GSSG-4_3 2.517211911303026 498.1451570066337 7.077213297509703 2.5369158496291 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A GSH+GSSG-4_3 2.505008466221966 738.3126017045341 9.457835315666566 2.723826839551997 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A GSH+GSSG-4_3 2.517060842215791 272.161295699175 3.340636652880678 2.877559141927744 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A GSH+GSSG-4_3 2.516315310962384 265.7155393263138 3.531957702702432 2.676754369285476 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A GSH+GSSG-4_3 2.50417871771819 178.8014841135137 2.949224175264999 2.258372128976961 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A GSH+GSSG-4_4 2.52963798563354 337.1558596795525 4.300779899674875 2.76049125769908 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A GSH+GSSG-4_4 2.529724719694486 229.8233031469195 2.888185695662257 2.839045860363594 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A GSH+GSSG-4_4 2.529828871383914 285.9578298047315 3.199430332931923 3.146723886483689 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A GSH+GSSG-4_4 2.529519045424579 265.0182985262943 3.34637658191308 2.847652944695352 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A GSH+GSSG-4_4 2.52987296004442 263.2131855369216 3.447638130691465 2.734984294188687 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A GSH+GSSG-4_4 2.52893262824852 93.1468839228886 0.9358125901178688 3.493903413138243 06_B2_SI_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A GSH+GSSG-4_4 2.528939879060811 265.9107197171734 3.114935899730043 3.034338780991436 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A GSH+GSSG-4_4 2.529801935915194 507.8641877492689 6.173035105394385 2.87739615905944 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A GSH+GSSG-4_4 2.529766574999664 275.7149031679022 3.350740432616497 3.00573343323487 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A GSH+GSSG-4_4 2.530110734147737 301.2514517520625 3.890623884395968 2.757363219839119 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A GSH+GSSG-4_4 2.517713959327813 1197.024418549485 16.777840763693 2.465932925234885 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A GSH+GSSG-4_4 2.52978537662236 157.776709717357 2.02867466372517 2.79565893187092 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A GSH+GSSG-4_4 2.528939879060811 194.6502544203645 2.309753689794103 2.942139736929194 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A GSH+GSSG-4_4 2.516995215474139 436.5025648089408 6.172104605813989 2.513004464230581 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A GSH+GSSG-4_5 2.542182670156282 720.0951570335769 7.695924012291403 3.050083935067381 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A GSH+GSSG-4_5 2.542021387681543 421.1634879131732 5.138282409918697 2.754376761957544 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A GSH+GSSG-4_5 2.542109543784458 397.1422872996006 4.729263406074652 2.748098828093084 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A GSH+GSSG-4_5 2.541751689015032 524.3219096799775 5.886157513536756 2.876859412909128 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A GSH+GSSG-4_5 2.542176349857927 553.9678319649527 6.448268937417948 2.767841670908146 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A GSH+GSSG-4_5 2.541185130737744 149.1125141863675 1.605256554003312 3.000006213207135 06_B2_SI_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A GSH+GSSG-4_5 2.541383139826458 438.2383958749259 4.881357176844305 2.968834032447927 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A GSH+GSSG-4_5 2.54231102253672 712.9247236906784 9.948017947333659 2.500564591984836 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A GSH+GSSG-4_5 2.542080165479872 506.5437183495677 5.526011321354053 2.958474425704895 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A GSH+GSSG-4_5 2.542296239377007 527.8069296185344 7.699009939513942 2.329854043518899 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A GSH+GSSG-4_5 2.530482966684806 825.4742213160802 11.42500591974509 2.545571865298848 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A GSH+GSSG-4_5 2.542053803943002 419.4752399750527 3.753214931093392 3.507327757698138 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A GSH+GSSG-4_5 2.54120186581292 371.0801985787509 3.989350163888838 3.005875120598918 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A GSH+GSSG-4_5 2.529855289563736 257.1791804888758 3.498603436054268 2.576845260309951 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A GSH+GSSG-4_6 2.554718082713717 207.1639259067204 3.207667919751906 2.272209642023149 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A GSH+GSSG-4_6 2.554666147775545 138.9325885393299 2.251871733107913 2.212009927801709 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A GSH+GSSG-4_6 2.554841539180049 133.4450697460233 2.061405397675409 2.309686702411715 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A GSH+GSSG-4_6 2.554357486437666 200.6128339929613 2.889181328890658 2.452453189994181 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A GSH+GSSG-4_6 2.554767098018079 179.9948425965905 2.912209195824592 2.209927371757797 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A GSH+GSSG-4_6 2.553726745984534 53.22614200761662 0.6796972790496955 2.744672026653617 06_B2_SI_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A GSH+GSSG-4_6 2.553902420553356 146.8355924167683 2.29065990675408 2.287209485469431 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A GSH+GSSG-4_6 2.554968534916961 289.9651194535451 4.481290095465775 2.309213875649449 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A GSH+GSSG-4_6 2.554789860661189 156.203113952909 2.299612433678152 2.435351389368961 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A GSH+GSSG-4_6 2.555116873587417 170.8230725388714 2.586275482385076 2.316231708831542 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A GSH+GSSG-4_6 2.543004477961817 1240.629410272542 17.69562396206438 2.404854825490073 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A GSH+GSSG-4_6 2.554696952020461 104.0815321620274 1.387515386531342 2.627777809406008 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A GSH+GSSG-4_6 2.553835157009145 106.823944513755 1.707174247637079 2.237263112503297 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A GSH+GSSG-4_6 2.542164103055305 420.252008778048 5.672396617105296 2.596091019566322 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A GSH+GSSG-4_7 2.567538279322132 101.4540248454001 1.567536608987477 2.258304760104285 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A GSH+GSSG-4_7 2.567359392191586 84.3117127254237 1.139006575820998 2.582811085543302 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A GSH+GSSG-4_7 2.567630292467579 73.17217152667283 1.204070240839876 2.160054578125516 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A GSH+GSSG-4_7 2.567223928942817 99.27190245018821 1.486931808934783 2.380364825584181 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A GSH+GSSG-4_7 2.567511972318564 103.612484882548 1.456209413759929 2.482671258112254 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A GSH+GSSG-4_7 2.566725766453724 19.97821108296579 0.4040154283466308 1.899785844576598 06_B2_SI_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A GSH+GSSG-4_7 2.566716457588552 82.30409497080252 1.283177141645784 2.297387142661999 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A GSH+GSSG-4_7 2.567681579230356 157.1139110949878 2.339721477661477 2.343049369231733 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A GSH+GSSG-4_7 2.567503059891596 84.92564947268808 1.308720282839562 2.313402916936502 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A GSH+GSSG-4_7 2.567812067131882 98.87750491077975 1.454930627350253 2.371298213178066 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A GSH+GSSG-4_7 2.547862806173774 819.6936933745097 2.23130501826699 11.30369127450709 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A GSH+GSSG-4_7 2.567406693893219 46.72690534189561 0.7057983605536715 2.38709807246643 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A GSH+GSSG-4_7 2.566863052199031 55.72508272408717 1.002100042046493 1.993729501987177 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A GSH+GSSG-4_7 2.554964740010117 130.6872662975969 2.296307864448774 2.048175751534532 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A GSH+GSSG-4_8 2.555853682713435 453.6891578628703 7.281547884851909 2.248863717180375 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A GSH+GSSG-4_8 2.567589458843621 112.2656872574317 1.348187978344557 2.884252268474329 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A GSH+GSSG-4_9 2.568406693893218 318.3653356843718 4.233928757784443 2.532654016990758 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A GSH+GSSG-4_9 2.574423111722928 23.39838271821255 0.4856014060691897 1.721186211814927 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A GSSG-12_1 4.746257909671185 388.3965160529098 4.674180629508861 2.751878292315681 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A GSSG-12_1 4.746356131183921 357.1549555133231 3.70483369652255 3.210859625671085 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A GSSG-12_1 4.746466239083018 284.4991442372255 3.51793249477564 2.756315621768484 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A GSSG-12_1 4.746126632366227 242.2740235260062 3.116875583918157 2.664389342061835 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A GSSG-12_1 4.746429562555156 337.0546848631831 3.82393868532893 2.855631608095623 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A GSSG-12_1 4.745640706260899 88.86664191633494 1.129739353443359 2.751195745273627 06_B2_SI_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A GSSG-12_1 4.745529976762103 242.0635429703152 3.142851785917931 2.643720126865983 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A GSSG-12_1 4.74633043258574 411.5878908195897 5.752767154462338 2.496414832716815 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A GSSG-12_1 4.746416248726832 302.7072624162661 3.659437319209836 2.854277935089608 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A GSSG-12_1 4.746636037122873 366.2705287341957 4.47090325768647 2.747372600226978 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A GSSG-12_1 4.746826877676562 976.1361145875717 11.38343110783027 2.856693829623216 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A GSSG-12_1 4.746451779969911 244.6826113522042 2.507718139515219 3.223706091252756 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A GSSG-12_1 4.745511622798752 173.1998804908801 2.516030838825433 2.406283529972653 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A GSSG-12_1 4.746273520137033 837.3870942547882 6.898398595793263 3.976460395763816 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A GSSG-12_2 4.746257909671185 388.3965160529098 4.674180629508861 2.751878292315681 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A GSSG-12_2 4.753604097584557 267.8768973607122 3.45628123084363 2.700753702837076 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A GSSG-12_2 4.746466239083018 284.4991442372255 3.51793249477564 2.756315621768484 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A GSSG-12_2 4.746126632366227 242.2740235260062 3.116875583918157 2.664389342061835 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A GSSG-12_2 4.753659019006528 315.756448314322 3.636775543824288 2.787301845047627 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A GSSG-12_2 4.745640706260899 88.86664191633494 1.129739353443359 2.751195745273627 06_B2_SI_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A GSSG-12_2 4.752213093194995 310.1531861807584 3.268713161396937 3.564084918709227 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A GSSG-12_2 4.753677650999875 412.2264915870712 5.78350439092584 2.487000026429166 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A GSSG-12_2 4.753681244854851 273.1980699312631 3.504669594883761 2.71109237691022 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A GSSG-12_2 4.753924149182762 357.7944618823753 4.283002580563945 2.773087741469149 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A GSSG-12_2 4.75413097431893 739.695298210593 10.39487320215752 2.476451486582009 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A GSSG-12_2 4.75364103060182 201.1395916306209 2.29632810817937 2.976534170605546 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A GSSG-12_2 4.745511622798752 173.1998804908801 2.516030838825433 2.406283529972653 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A GSSG-12_2 4.746273520137033 837.3870942547882 6.898398595793263 3.976460395763816 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A GSSG-12_3 4.75355558079872 323.0946305754888 4.49486560183136 2.492365561112166 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A GSSG-12_3 4.759238984503305 239.6992053187126 3.710591243659541 2.251682556647393 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A GSSG-12_3 4.75376873843406 244.171509729889 3.24974283111135 2.573365556170038 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A GSSG-12_3 4.753370766940718 242.0576629477113 3.115829889747673 2.639929609797913 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A GSSG-12_3 4.759598844658329 268.4932225409638 4.679931930976214 2.01240423963896 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A GSSG-12_3 4.752671440920285 101.6372940887094 1.155476895564288 3.053481331399859 06_B2_SI_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A GSSG-12_3 4.759015528598296 291.7527648596038 4.615550312227294 2.205578158850693 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A GSSG-12_3 4.758978991899206 296.6473868358591 5.523001818619895 1.926402597623186 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A GSSG-12_3 4.759628567372979 162.3626421073084 2.710406622778201 2.099795933816827 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A GSSG-12_3 4.759624048635066 366.7764286485885 6.193452076576047 2.044847925972085 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A GSSG-12_3 4.75833490414412 834.2584077276858 12.48039060315934 2.301782401677127 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A GSSG-12_3 4.759664058651638 138.770633126401 2.321938323077463 2.126132401161574 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A GSSG-12_3 4.752657616155184 414.9162793674578 2.936804543765867 4.355466326195413 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A GSSG-12_3 4.753608916835552 588.9677750426848 5.895991912862561 3.353531411736623 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A GSSG-12_4 4.759044779320176 281.7298574712407 4.639855446352182 2.090956052429055 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A GSSG-12_4 4.759238984503305 239.6992053187126 3.710591243659541 2.251682556647393 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A GSSG-12_4 4.75376873843406 244.171509729889 3.24974283111135 2.573365556170038 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A GSSG-12_4 4.753370766940718 242.0576629477113 3.115829889747673 2.639929609797913 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A GSSG-12_4 4.759598844658329 268.4932225409638 4.679931930976214 2.01240423963896 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A GSSG-12_4 4.752671440920285 101.6372940887094 1.155476895564288 3.053481331399859 06_B2_SI_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A GSSG-12_4 4.759015528598296 291.7527648596038 4.615550312227294 2.205578158850693 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A GSSG-12_4 4.758978991899206 296.6473868358591 5.523001818619895 1.926402597623186 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A GSSG-12_4 4.759628567372979 162.3626421073084 2.710406622778201 2.099795933816827 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A GSSG-12_4 4.759624048635066 366.7764286485885 6.193452076576047 2.044847925972085 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A GSSG-12_4 4.763091184443217 840.9168222085502 12.26594935217657 2.438446393326427 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A GSSG-12_4 4.759664058651638 138.770633126401 2.321938323077463 2.126132401161574 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A GSSG-12_4 4.752657616155184 414.9162793674578 2.936804543765867 4.355466326195413 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A GSSG-12_4 4.753608916835552 588.9677750426848 5.895991912862561 3.353531411736623 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A GSSG-12_5 4.768665208087937 780.5237353459453 8.714207605929657 3.134073487686407 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A GXP-1'_1 5.927249452882234 48.17882277117205 0.8372815012020243 2.044055809279225 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A GXP-1'_1 5.927344111327573 40.30400674167914 0.6876321753475473 2.045139771346535 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A GXP-1'_1 5.927946057256952 34.04646830418096 0.5643951738773874 2.11267387017025 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A GXP-1'_1 5.927486222048367 40.34340474709496 0.6249328780970184 2.306177370785345 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A GXP-1'_1 5.927540307033799 38.35024935428112 0.6778135653859161 1.98691270447666 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A GXP-1'_1 5.92781133032784 14.81644124464555 0.2136675347382883 2.436188531114364 06_B2_SI_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A GXP-1'_1 5.927088601885005 37.01831815098681 0.6277104591473206 2.080609006088068 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A GXP-1'_1 5.927178684969631 68.25237186696585 1.15349557419637 2.06458504516631 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A GXP-1'_1 5.927789156192893 47.40115231703729 0.7684021214411847 2.15244124629949 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A GXP-1'_1 5.927723071984201 54.47342976474686 0.876939442011113 2.175249042066471 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A GXP-1'_1 5.926668643696712 84.14142095325032 1.622512213315157 1.912832369990259 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A GXP-1'_1 5.927938774815517 28.35217676217848 0.4507065355082885 2.194944349301726 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A GXP-1'_1 5.927271366835407 54.37267881463568 0.7551682928849546 2.548786588746061 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A GXP-1'_1 5.926788243062971 96.35880664797816 1.497540210245546 2.306957077663989 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A GXP-1'_2 5.937701358985783 38.94555458570972 0.8120835379767782 1.761370062697435 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A GXP-1'_2 5.937913152318421 28.90398409940124 0.6607649168993047 1.747556149603393 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A GXP-1'_2 5.938409352102259 26.69008862246039 0.5673792821214814 1.686565204619564 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A GXP-1'_2 5.937972034208125 37.71489436153423 0.6733552013966752 2.04551644482858 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A GXP-1'_2 5.938108836914227 32.34063027954413 0.6619390805787116 1.767126927080518 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A GXP-1'_2 5.937730901014465 16.18463865023756 0.2674806273956003 2.142369153379839 06_B2_SI_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A GXP-1'_2 5.937524820017237 46.79511409106161 0.8436688227359516 2.004295636987494 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A GXP-1'_2 5.937691071294254 59.18242155849813 1.099272618810722 1.96274775110868 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A GXP-1'_2 5.938137353666914 45.99398878781293 0.8418422550173424 2.014289649184597 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A GXP-1'_2 5.938229513272272 43.97000259983714 0.8573600659971375 1.838737926097465 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A GXP-1'_2 5.937221642177894 87.83495758016379 1.526157180818827 2.069276360125891 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A GXP-1'_2 5.938101644682592 27.17669167079854 0.5375929824766436 1.970851231583599 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A GXP-1'_2 5.937628254942539 48.56965887588269 0.7698722957756933 2.220393379655864 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A GXP-1'_2 5.937386187228093 62.16486956015964 1.136813526208078 1.952553579705834 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Gln+Glu-2_1 3.732587301000521 457.8350607598473 8.943545474823352 1.80478545201595 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Gln+Glu-2_1 3.732537382214495 310.3164461472794 5.765571262764531 1.899863487890962 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Gln+Glu-2_1 3.732635575432495 277.8262627704681 5.244521422905153 1.899302006439653 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Gln+Glu-2_1 3.732166191178778 270.2118556372331 5.388446861193069 1.848810343859361 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Gln+Glu-2_1 3.732501169511012 433.0985349128597 8.716852856897534 1.779317293310591 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Gln+Glu-2_1 3.731802565754591 96.42620908327903 1.671672261466763 2.065373927559436 06_B2_SI_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Gln+Glu-2_1 3.731554009254745 608.6575785537054 11.39591025554933 1.87665276448829 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Gln+Glu-2_1 3.732438898138519 1327.105369558881 25.65752577739934 1.828386657760434 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Gln+Glu-2_1 3.732573461681227 337.8513937750508 6.041965966065547 2.013324514040885 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Gln+Glu-2_1 3.732698797666561 741.4510378015807 14.7988226069865 1.759845232300661 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Gln+Glu-2_1 3.733152509980399 2055.666087383762 38.25857380728687 1.859898220309117 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Gln+Glu-2_1 3.732681866300085 242.7395433179151 4.047975441477719 2.210824293997024 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Gln+Glu-2_1 3.731743415739316 518.9289450933119 7.974922482269937 2.344301545711796 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Gln+Glu-2_1 3.73243071830561 1128.266958307397 20.68664291534997 1.9097556188785 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Gln+Glu-2_1 3.745332006461253 8.994583939578725 0.2674447971928665 1.205795112698059 15_C1-20_SI_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Gln+Glu-2_10 3.762878401751304 707.8196417297639 14.43784363484836 1.669342801509551 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Gln+Glu-2_10 3.775009009217244 1767.500857046162 25.54556530964149 2.354459474971712 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Gln+Glu-2_10 3.775252856965027 1462.722468688529 22.26870547948231 2.211472313855202 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Gln+Glu-2_10 3.774722579163689 1532.603013409333 24.85948665012337 2.163674312011938 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Gln+Glu-2_10 3.770028915404189 602.4247793496481 9.432034202330044 2.291675611508987 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Gln+Glu-2_10 3.774377074364511 1411.382926794769 22.11209164839306 2.177180533431928 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Gln+Glu-2_10 3.775201808182249 2557.461079472909 40.87583620057729 2.158474848275111 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Gln+Glu-2_10 3.769926395873723 517.6154854340925 7.229605896935096 2.404939580216329 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Gln+Glu-2_10 3.770099033884117 457.3983834279808 8.326680705447403 1.966790540919674 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Gln+Glu-2_10 3.775915490713143 5108.273567780766 81.11845616276638 2.125467190107879 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Gln+Glu-2_10 3.769873764572403 259.3213550367099 3.590871917622979 2.412293919504307 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Gln+Glu-2_10 3.768912436914975 253.5463179172834 4.75842901505579 1.924647536160616 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Gln+Glu-2_10 3.775077448499658 3374.803088936371 48.64711406130576 2.34175442673921 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Gln+Glu-2_11 3.765653169113651 85.09273846864579 2.282534821317555 1.300786587311442 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Gln+Glu-2_11 3.779846234706119 100.6022838285226 2.218741881612254 1.661640543748683 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Gln+Glu-2_11 3.780039416086871 131.9633874331031 2.532790325207624 1.872723307869207 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Gln+Glu-2_11 3.779528954401629 146.0424178337622 2.694220954261919 1.930392028917256 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Gln+Glu-2_11 3.775208868624767 1667.564452144189 27.16616173032783 2.074822529128915 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Gln+Glu-2_11 3.779112365505997 98.43396316702558 2.092956604539977 1.733666985432575 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Gln+Glu-2_11 3.780046241756761 251.055171172822 5.055724115183921 1.830785107679303 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Gln+Glu-2_11 3.775150640672245 1691.126817403648 24.49715040040481 2.345891157992829 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Gln+Glu-2_11 3.772482278837447 341.2993343037995 6.25147855747148 1.87407144289108 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Gln+Glu-2_11 3.780999763720339 535.2975772008946 9.540411399636392 2.060987340879397 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Gln+Glu-2_11 3.77508296824836 1239.921160064984 17.25664471305151 2.422631384634343 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Gln+Glu-2_11 3.774307979923312 1319.458769583964 20.12861202749968 2.227559151395421 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Gln+Glu-2_11 3.779813485078931 198.8778877907698 3.809080475574556 1.914320664962167 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Gln+Glu-2_12 3.769810944207382 1000.38448960883 13.71516222909241 2.478548631349349 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Gln+Glu-2_12 3.78616840110298 31.8302032570978 0.8599806171876616 1.248150365853004 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Gln+Glu-2_12 3.779988838273316 154.6549594545964 2.991133632550343 1.813975809475258 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Gln+Glu-2_12 3.783336857101219 65.3857689861569 1.260028030241628 1.796630724037224 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Gln+Glu-2_12 3.779878758431876 135.4427562433109 2.42336023396633 1.962782106112022 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Gln+Glu-2_12 3.77550509649507 1908.340393811548 32.10339146546399 2.071181213431333 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Gln+Glu-2_12 3.784153239159139 208.8173062324039 4.092719950449164 1.817276342672099 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Gln+Glu-2_12 3.779874378434144 106.7079074869196 2.064585903799478 1.835260398025039 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Gln+Glu-2_12 3.779134008872859 78.61771970181012 1.643439543435431 1.715115233594952 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Gln+Glu-2_13 3.775017493669474 2182.680203845127 38.02580485750692 1.965433011976063 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Gln+Glu-2_13 3.780125965393697 449.2698761840603 7.631889422900549 2.131301624084104 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Gln+Glu-2_13 3.788049400077786 25.55554222736753 1.018985102549133 0.8679436604074714 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Gln+Glu-2_14 3.779633286492285 236.1262330611401 4.259491467804431 2.010073876218662 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Gln+Glu-2_14 3.78375157759543 210.4358730379002 3.52136762021074 2.10852183687636 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Gln+Glu-2_15 3.78303022082041 18.74359879609639 0.5703214356314987 1.171762137276529 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Gln+Glu-2_16 3.786868723393083 50.32914665180325 1.52827673806435 1.158605941206715 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Gln+Glu-2_2 3.734537888775152 92.73096469492864 2.539436926553674 1.346290911897255 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Gln+Glu-2_2 3.738866638745468 406.7811343437592 7.255737922746944 2.00842008925296 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Gln+Glu-2_2 3.738732939963326 251.0947160857412 4.317397324662976 2.037440200659226 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Gln+Glu-2_2 3.73835684209156 591.3189195703538 9.376376625225348 2.155951660686545 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Gln+Glu-2_2 3.73881514911144 476.1983536762788 9.011777624312039 1.880340347960045 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Gln+Glu-2_2 3.73772812913718 133.1121334422506 2.100372228345311 2.209670356626529 06_B2_SI_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Gln+Glu-2_2 3.737955148821674 224.5528890774885 5.02671858696539 1.65011789665378 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Gln+Glu-2_2 3.739069039723907 806.4415991963983 16.88154152432124 1.748480737366298 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Gln+Glu-2_2 3.738773104947313 329.7435048530869 6.116616293956965 1.932768363911042 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Gln+Glu-2_2 3.739303056354321 740.6860412329567 14.26308589507693 1.835446394035032 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Gln+Glu-2_2 3.740276863565103 1667.69384143452 30.51238352980317 1.936866675672734 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Gln+Glu-2_2 3.738653393575888 212.5255802474918 4.315188210878532 1.853454636793752 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Gln+Glu-2_2 3.737780407839624 392.2089409878123 7.155693823644675 1.964238070852475 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Gln+Glu-2_2 3.739184408863778 699.6345076174573 12.59347140328219 1.938459460105182 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Gln+Glu-2_2 3.749686696799047 22.52571799817074 0.5062674458510916 1.590640797051819 15_C1-20_SI_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Gln+Glu-2_3 3.738771986792908 822.6600644309091 13.75720777620868 2.026535949961825 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Gln+Glu-2_3 3.741985856675579 215.0180544606204 4.503103731846076 1.769855166781397 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Gln+Glu-2_3 3.742090694416525 147.6884646216119 2.789022349289129 1.855769457470792 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Gln+Glu-2_3 3.741670382450965 226.6210995627975 4.315200029722506 1.873456565099875 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Gln+Glu-2_3 3.742129338225905 318.5948920335653 6.588888448951043 1.72333285554371 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Gln+Glu-2_3 3.745348019983137 82.13680653760223 1.894121732171938 1.577936294007547 06_B2_SI_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Gln+Glu-2_3 3.741178156411502 343.6955582689055 7.057192080815814 1.751829142148454 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Gln+Glu-2_3 3.742196988644455 878.9620253097908 17.16222675183825 1.836661243920349 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Gln+Glu-2_3 3.741969802525556 244.6910841982954 4.629373253933095 1.901676606297511 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Gln+Glu-2_3 3.742482888716969 468.8018730442101 9.317482017902067 1.774331697947405 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Gln+Glu-2_3 3.742978194968582 1235.79730113575 21.98162387450347 2.001297431505661 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Gln+Glu-2_3 3.741826965419708 397.0582429970974 4.098508874621205 3.11654459766237 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Gln+Glu-2_3 3.741187522666037 307.1543239490703 5.972197459460059 1.865901160507051 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Gln+Glu-2_3 3.742275681240098 687.0075430244304 12.95097490710226 1.898557764334686 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Gln+Glu-2_3 3.760758522514686 101.6272890627315 1.546663292923756 2.348648653299356 15_C1-20_SI_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Gln+Glu-2_4 3.742231274750424 399.6767283557065 7.240800928083697 1.97074030072634 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Gln+Glu-2_4 3.746478868430001 314.424037034024 6.899225039049989 1.671712897324354 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Gln+Glu-2_4 3.746393188178769 158.280144125089 3.723484230188871 1.571730015347457 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Gln+Glu-2_4 3.746060321532306 415.1173569209054 9.118399177396748 1.639681341058525 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Gln+Glu-2_4 3.746589967247433 400.9527088427003 8.871897218781688 1.616328057020315 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Gln+Glu-2_4 3.749528938770109 161.7072290058222 3.089652054645675 1.865875518190875 06_B2_SI_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Gln+Glu-2_4 3.745658087137612 252.3677142958666 5.881800720003484 1.573179534803824 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Gln+Glu-2_4 3.746887592714117 832.0772524458284 18.22417792453972 1.636975940189265 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Gln+Glu-2_4 3.7464887631222 337.6908745290329 6.65151065881185 1.800707370148555 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Gln+Glu-2_4 3.74707672296005 601.0081437225302 13.07524993959487 1.625067453669977 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Gln+Glu-2_4 3.748150992096133 993.4401569395715 24.05270072800282 1.537960411625193 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Gln+Glu-2_4 3.746462876493183 261.7234706164728 5.120730526136281 1.831460139403928 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Gln+Glu-2_4 3.745581782209951 425.1193898491902 8.522576468429218 1.773980603256793 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Gln+Glu-2_4 3.746990775597464 761.9443139764816 15.44556029890968 1.757599688148539 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Gln+Glu-2_4 3.77448301605037 92.21683103751448 1.446176585110244 2.206145594525949 15_C1-20_SI_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Gln+Glu-2_5 3.746493875217373 1110.948718421225 15.80454384320432 2.291061192841542 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Gln+Glu-2_5 3.750583477102544 723.1757154215021 12.9659947375529 1.989686025838672 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Gln+Glu-2_5 3.750487563539625 289.5525146432698 5.579275948640007 1.837590567347308 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Gln+Glu-2_5 3.750213724981533 915.0070977252356 15.02571142471151 2.027165699833977 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Gln+Glu-2_5 3.750686025203935 661.7263723642105 13.09443508960462 1.789244736871313 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Gln+Glu-2_5 3.753269145009664 52.09943810733517 1.012609289711019 1.858653603023489 06_B2_SI_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Gln+Glu-2_5 3.749848371657261 501.8499249438862 9.337846894249578 1.893934451668057 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Gln+Glu-2_5 3.75100141962571 1387.688513279196 27.3332999190356 1.817823798638875 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Gln+Glu-2_5 3.750574757409658 634.0774384210007 10.58349841744218 2.108652496765834 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Gln+Glu-2_5 3.751187344132751 974.4072343551875 18.92957520380864 1.80314768160652 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Gln+Glu-2_5 3.752222944568154 2490.787665409795 47.67250816255005 1.830938521837054 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Gln+Glu-2_5 3.750469552405342 542.7035269792733 8.957637237047843 2.140087325875268 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Gln+Glu-2_5 3.749629031343376 620.2796936984536 11.10398116213609 1.978774353652432 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Gln+Glu-2_5 3.751004784041263 1529.939043571326 26.70007307956953 2.038142742644709 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Gln+Glu-2_5 3.79010941930974 9.052230984055091 0.2163987297272712 1.59656364506807 15_C1-20_SI_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Gln+Glu-2_6 3.750744332857761 913.6647429756016 19.79646691074576 1.654724784868047 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Gln+Glu-2_6 3.754316959487903 254.5927730984112 4.769540371394833 1.93203689956769 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Gln+Glu-2_6 3.754393199483846 86.84676596525776 1.798123604234444 1.717298175757935 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Gln+Glu-2_6 3.753838605595906 232.8678811251962 4.24453493920531 1.986289316455543 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Gln+Glu-2_6 3.754354759528742 268.1850155166962 5.066269960577515 1.885057458738766 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Gln+Glu-2_6 3.757331777254649 68.48900916247624 1.511203906797063 1.641833431035074 06_B2_SI_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Gln+Glu-2_6 3.753624740819504 173.1306608017629 3.123978451105694 1.977925504451505 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Gln+Glu-2_6 3.754625790180703 386.9764214187725 7.230276812752432 1.932738143775682 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Gln+Glu-2_6 3.754433920400212 182.7604671481107 3.250518150860149 2.028440623979285 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Gln+Glu-2_6 3.754916195613661 248.0484867285665 5.008073558019185 1.836517066636691 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Gln+Glu-2_6 3.755672414242452 706.3292360929611 12.31309842992459 2.058101932667464 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Gln+Glu-2_6 3.754209452894262 157.204644265701 3.063423733681216 1.841234825297853 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Gln+Glu-2_6 3.753397658685683 205.41989970069 3.966573151978023 1.862636514059191 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Gln+Glu-2_6 3.754726860821116 595.9631461862855 10.90031048880938 1.983715439199106 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Gln+Glu-2_7 3.754285911911015 554.5182944978214 9.40318509988078 2.124788278805046 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Gln+Glu-2_7 3.758362634866937 194.9799097243394 4.505448676426289 1.585677037323143 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Gln+Glu-2_7 3.761377365159163 1569.782186618687 21.72013902708606 2.515804016605262 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Gln+Glu-2_7 3.757989453129484 185.0120736273203 5.080429781667574 1.358286196753738 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Gln+Glu-2_7 3.758640150733287 351.1145548019082 7.232387504742711 1.698452589224339 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Gln+Glu-2_7 3.760600941030942 576.2061925249725 7.331609507549306 2.712109293661293 06_B2_SI_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Gln+Glu-2_7 3.757651354722779 200.3691997841237 4.414114141383467 1.626155937126239 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Gln+Glu-2_7 3.758880178543643 460.699540107615 11.42067258837275 1.474289017505 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Gln+Glu-2_7 3.75843393764216 327.1919992379241 5.697725208974513 1.997321186490092 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Gln+Glu-2_7 3.75908059215215 521.3107890719649 10.78911923695794 1.661393327846664 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Gln+Glu-2_7 3.760238314890065 891.9314821311118 16.95188418618805 1.881972127065003 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Gln+Glu-2_7 3.758299156837007 139.3591075673004 2.966392096413093 1.684890128281828 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Gln+Glu-2_7 3.757548330644681 338.1512952833237 6.102295039416662 1.9210449044271 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Gln+Glu-2_7 3.758850022691597 657.93408217849 12.16055413066779 1.932365372829324 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Gln+Glu-2_8 3.758627288482558 947.1952904753249 15.53968588655258 2.049468914509088 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Gln+Glu-2_8 3.761468745624951 2349.429344262036 26.66697102719608 2.991678652956637 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Gln+Glu-2_8 3.762090001323708 1596.371016935715 4.294680903954583 17.71710137823972 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Gln+Glu-2_8 3.761318732394217 2904.086869182705 27.77620597456554 3.480276105842472 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Gln+Glu-2_8 3.761619895116566 1550.727226486006 24.36135382571317 2.275579804589118 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Gln+Glu-2_8 3.768889783123646 98.49951256494738 1.768555473236185 1.982766400919034 06_B2_SI_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Gln+Glu-2_8 3.760607891382568 1836.756093571595 23.48267871330327 2.63884754256761 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Gln+Glu-2_8 3.761535730467334 4794.876649100212 47.05254664941522 3.283090543779105 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Gln+Glu-2_8 3.761421111684378 1814.4435510472 23.88592002644408 2.641368160375902 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Gln+Glu-2_8 3.76185739584297 2094.259032936603 27.88456428047791 2.559547645111442 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Gln+Glu-2_8 3.762522487225202 8035.06561255541 80.28296038897113 3.456879657732824 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Gln+Glu-2_8 3.761469930730993 1351.79060552411 16.93995185874071 2.760983326777502 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Gln+Glu-2_8 3.760680723607106 1401.391914200161 18.91671945288561 2.586676701200414 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Gln+Glu-2_8 3.761547168428323 4137.656349143886 48.82109387805122 2.900612980754764 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Gln+Glu-2_9 3.761368085692673 1514.540572163238 25.76314222715803 2.051223777857734 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Gln+Glu-2_9 3.769725117688471 565.5966492448159 8.416292533874634 2.397343130740876 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Gln+Glu-2_9 3.769857176269517 291.4765509259154 5.70932349468696 1.875134860049559 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Gln+Glu-2_9 3.769484774063357 695.9518232548729 10.08971978576723 2.470424730638384 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Gln+Glu-2_9 3.764112707791608 3368.407534603842 7.971882793043957 15.44725927894228 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Gln+Glu-2_9 3.774349631600849 428.2897907235155 6.802784712170864 2.196204979117704 06_B2_SI_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Gln+Glu-2_9 3.769043278736731 452.960619873937 7.323901871981311 2.202834119911876 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Gln+Glu-2_9 3.769991099519295 1241.98534641379 15.82241861220297 2.594679662621394 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Gln+Glu-2_9 3.762912443604768 1983.393111015886 4.032082544916973 18.18924297444958 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Gln+Glu-2_9 3.764198058551873 2404.108800013041 7.822178515960802 10.82809542457826 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Gln+Glu-2_9 3.770997789491399 3108.815077161712 33.30677854468229 3.01173325033251 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Gln+Glu-2_9 3.763472749782411 1280.858496673093 4.007322952994848 13.28912908269211 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Gln+Glu-2_9 3.762784935951689 2651.84832452988 5.292778221416717 19.94399108997231 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Gln+Glu-2_9 3.770012788506089 514.0048104081421 8.95393108327887 2.058292522063234 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Gln-3_1 2.125870533940449 349.6394929863498 5.734624935882277 2.184699202145103 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Gln-3_1 2.12576146420784 243.9047518360209 3.45222651206407 2.474936439422461 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Gln-3_1 2.12969828990394 128.9019234605151 2.567318737186701 1.765849190242293 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Gln-3_1 2.125548178882535 259.1952007520896 4.151196864726608 2.235840643920947 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Gln-3_1 2.125984617734036 291.9436047477663 4.128912729177152 2.398588267455005 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Gln-3_1 2.12884 18.036808 0.455458 1.440536 06_B2_SI_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Gln-3_1 2.128934717663828 212.9384074147606 4.077956560337603 1.85556502132068 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Gln-3_1 2.129907420844353 461.1392279651997 8.886466539859384 1.856508846590159 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Gln-3_1 2.129724452574887 201.1561089686274 3.917511653690978 1.834994886652402 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Gln-3_1 2.130164288505516 390.6161731063662 7.372178182982238 1.869063928063734 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Gln-3_1 2.126569398064698 661.0608868562903 11.21766686227367 2.148763213998559 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Gln-3_1 2.125745210203229 124.6212763784753 1.841062991214032 2.418649561600645 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Gln-3_1 2.128923765353302 201.0580379699602 3.811461913184019 1.867582565190293 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Gln-3_1 2.125835759066988 433.3424230969086 7.002899989207547 2.25502371283273 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Gln-3_2 2.129743808590358 229.2928064781241 5.337875559399475 1.568031714017083 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Gln-3_2 2.129752218170942 208.8232835872045 4.307249094207655 1.728456224044989 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Gln-3_2 2.129399651521187 181.2728134293813 3.487315314894086 1.863665870543771 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Gln-3_2 2.129852769412742 217.5519217186325 4.88398764340561 1.602519384458157 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Gln-3_2 2.14290173143089 42.48182084500716 1.319125452313117 1.187322204537862 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Gln-3_2 2.143096553130154 61.77095271183984 1.644357034142923 1.412622371737652 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Gln-3_2 2.130744860146062 618.5442925166362 12.76261367968218 1.762486331201846 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Gln-3_2 2.129786548795455 145.662383408204 2.992597043285897 1.740566073440913 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Gln-3_2 2.142026479059799 16.16025498054592 0.5347145343736635 1.202330446621135 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Gln-3_2 2.129828994361195 412.2182101920728 7.218316441964982 2.056994781244681 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Gln-3_3 2.142817111356076 32.96606685131496 0.9671764707898067 1.222047272993805 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Gln-3_3 2.142542383842769 25.80925183560923 0.7797563722151246 1.22030404126752 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Gln-3_3 2.142912559502351 30.52275391818322 0.8149277202644888 1.349543403216372 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Gln-3_3 2.143451850871212 104.0922539350517 2.680193762769837 1.381783548923604 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Gln-3_3 2.14275995310652 90.39250185807344 1.966779951971987 1.655195459332748 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Gln-4_1 2.414865860741358 57.24340589509072 1.216130275653861 1.642390130967554 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Gln-4_1 2.414861941135101 28.36587812382968 0.6478142252684904 1.565429093270496 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Gln-4_1 2.414865930404607 32.56937163733989 0.7370273218217569 1.561516800302943 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Gln-4_1 2.414353298663519 15.67516443718175 0.3845384531359463 1.445129380357787 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Gln-4_1 2.414948005092085 31.19360082833461 0.7354986318022063 1.479839456493073 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Gln-4_1 2.432936461531584 88.44377064802049 0.8873660087992886 3.45858724881948 06_B2_SI_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Gln-4_1 2.414074296326008 36.52639931625534 0.7805712377825531 1.651626795629196 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Gln-4_1 2.415104463588825 72.02390387597704 1.460726179166802 1.72043712743328 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Gln-4_1 2.414886992162897 37.35102375405443 0.7006988321076194 1.864180088214967 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Gln-4_1 2.415386957562868 81.33948542024005 1.714556623210368 1.67299163248837 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Gln-4_1 2.415970664779885 144.7073726874366 3.059946304518753 1.666044422816532 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Gln-4_1 2.414781787310246 12.33298893253078 0.3248146968514823 1.399858816964378 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Gln-4_1 2.413959995046086 36.80836196360659 0.7751053925484288 1.70248418905159 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Gln-4_1 2.415101898832027 78.29240063427324 1.819652672491902 1.534648325252075 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Gln-4_1 2.436278049207002 132.9409923747396 0.3151376602777399 20.10704950327388 15_C1-20_SI_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Gln-4_2 2.420965892305531 40.00203149513575 1.047475727029646 1.369193010110729 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Gln-4_2 2.42104472284361 21.94243925178248 0.6000275227352259 1.380257717890032 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Gln-4_2 2.42552665837104 29.15455394813381 0.7002118015513621 1.535071263682059 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Gln-4_2 2.420811660152399 19.0912152846817 0.4876330097337468 1.415446159796178 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Gln-4_2 2.421216706649274 21.10690165654857 0.6128153263432877 1.306831724199647 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Gln-4_2 2.445518116836297 132.5025277831319 0.9868156322484102 4.131576314093627 06_B2_SI_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Gln-4_2 2.420317172404878 30.38101171383412 0.8015431534849791 1.468391947716715 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Gln-4_2 2.421062716306163 82.73546791740651 2.073286592629745 1.509830277539243 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Gln-4_2 2.421056627908476 15.99937939667326 0.4381047201040816 1.329046384735296 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Gln-4_2 2.421324838771342 36.27736642206007 0.8955289140407456 1.493508524861495 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Gln-4_2 2.421713724335576 113.4173103454103 2.593599748395827 1.634979408309462 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Gln-4_2 2.421170592233893 10.75193458156387 0.3186039759427213 1.239230758366456 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Gln-4_2 2.420349531822018 18.40970701352473 0.5171835866502008 1.343787864445235 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Gln-4_2 2.421011732813782 53.24945742795555 1.531871596105391 1.401118982190393 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Gln-4_3 2.425520205266037 26.67976937161029 0.7661322366857669 1.277235983151939 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Gln-4_3 2.425438529650126 35.73840599726336 0.7624453974962252 1.680556139925337 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Gln-4_3 2.433613305723989 149.4440995553105 1.868007281102154 2.791458459358187 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Gln-4_3 2.43353291132772 152.3559907530667 2.112493473259224 2.819017866534859 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Gln-4_3 2.425535318016305 23.89428019028681 0.6669292073668334 1.320887351609517 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Gln-4_3 2.424591610458067 39.39617079185737 0.8301062712106287 1.680834047248111 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Gln-4_3 2.425762257953251 45.82545875252153 0.9729062591308857 1.655063152442634 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Gln-4_3 2.425415259137548 26.02528162919424 0.5775964738702756 1.604573047854362 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Gln-4_3 2.425961404384447 52.00431419282526 1.255991934437088 1.485430752077578 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Gln-4_3 2.426660433479334 97.78385387888301 2.257436140000349 1.57895886804251 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Gln-4_3 2.43334860277336 303.359374638351 2.281938722285701 4.183191254599702 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Gln-4_3 2.42462262723917 25.39300626304118 0.6429654186888508 1.477904532041732 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Gln-4_3 2.425921125197746 324.6156920639701 3.574579470168191 3.229733368383751 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Gln-4_4 2.433617729107305 367.8034247246271 4.275486577287457 3.080021147523033 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Gln-4_4 2.433557359952318 341.8911821929278 3.439909106465008 3.448257274628859 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Gln-4_4 2.445668481119552 255.2282831493944 1.927339544938264 4.271994639840351 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Gln-4_4 2.446159579988849 243.6845986633793 2.181798652181434 3.436695456536114 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Gln-4_4 2.433628730573924 316.3771673875598 3.083048127117029 3.50840514994528 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Gln-4_4 2.43298392182948 305.2280350067606 3.44546804406193 3.175438942410632 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Gln-4_4 2.434005972370596 491.6427598165218 6.473723116192383 2.941495913567263 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Gln-4_4 2.4337220504537 232.3602189360232 2.560994814463414 3.165804115326956 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Gln-4_4 2.433962201972401 265.7759382445762 3.601662597086799 2.799867211155108 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Gln-4_4 2.434461485847912 637.8743917737997 7.669338383323042 3.175454909679318 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Gln-4_4 2.446116375811262 518.709556669459 2.615134880088094 6.22120468619663 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Gln-4_4 2.432734471756485 336.4309234066186 3.019768451486212 3.731247894947466 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Gln-4_4 2.432678531814857 557.8167341810846 7.107139425499764 2.738594078339729 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Gln-4_5 2.446483748628636 549.9978126894788 4.063837572236102 4.164398267500331 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Gln-4_5 2.446268390064711 534.017299889992 3.344391374418812 4.913216118708863 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Gln-4_5 2.446358754900431 551.4732821087572 3.232616093047229 5.249258763008752 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Gln-4_5 2.445698073881919 454.2881942974341 3.236076601267471 4.467774772443634 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Gln-4_5 2.446606940289808 357.129603288219 4.878051632232114 2.460743171039371 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Gln-4_5 2.446517184542776 292.8122253160553 2.266133961409557 4.049123098947925 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Gln-4_5 2.446495011795329 341.3339777784033 2.921034714168379 3.927119461835803 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Gln-4_5 2.447096595686445 450.6859772328401 5.26493786163079 2.956583929106936 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Gln-4_5 2.445493177513617 566.3504938982 3.364550879426489 5.179475933795306 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Gln-4_5 2.434954811461732 105.0587781317802 2.22875663715252 1.64475288715404 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Gln-4_6 2.461099657374839 38.5321756240429 0.8079132358053481 1.709957836243479 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Gln-4_6 2.460332783800695 28.40819721389872 0.5677427282836099 1.752515672445504 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Gln-4_6 2.449698552463061 194.3654645756426 2.087408079905803 2.865097308054673 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Gln-4_6 2.461432624050035 26.00955947925818 0.5388706006109889 1.680364817082283 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Gln-4_6 2.450652623730274 101.8202528558629 1.529795501270565 2.103773684407876 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Gln-4_6 2.439037213973605 638.6741431757855 4.284798357994949 5.000494826308608 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Gln-4_7 2.461268938317909 104.4404366116111 1.898464722186583 1.947829782529113 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Gln-4_7 2.462154887697324 88.43119061715817 1.806449702515155 1.727615389899862 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Gln-4_7 2.445936300376279 2062.357932968659 9.47008462517207 6.903941941758097 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Gln-4_8 2.460608327363254 16.2974586122546 0.4126997290973015 1.383254337747541 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Glu-3-a_1 2.016821587791736 620.4184388863795 4.397836916071079 4.897075939857507 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Glu-3-a_1 2.025488677329481 13313.37962705943 16.51978232501276 29.62395789383412 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Glu-3-a_1 2.012202549865671 513.0513446121181 3.029294300140484 6.226523280096441 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Glu-3-a_1 2.014725483877602 1016.505537115507 3.758718682721749 12.62394343530403 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Glu-3-a_1 2.011747444310881 1204.155570902867 6.281041225261914 7.433586148622387 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Glu-3-a_1 2.016499175466367 81.37888262111827 0.9951719135353756 2.885310929746073 06_B2_SI_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Glu-3-a_1 2.011715648133515 1529.791283441362 7.060920260639001 7.923922829861366 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Glu-3-a_1 2.018503625095805 70.39515899346301 1.645900416266955 1.533436628774529 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Glu-3-a_1 2.01187961731477 1874.132979615556 7.823892230923772 8.64079055682759 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Glu-3-a_1 2.018336361163648 2695.767340411403 5.258230446452348 18.60460923979369 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Glu-3-a_1 2.013075392096773 3053.362068859082 17.25060836532769 6.514320595936761 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Glu-3-a_1 2.01769092019797 253.9664049101951 3.430319941797614 2.598458826387921 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Glu-3-a_1 2.016558340608833 243.2152410520381 2.006327377312445 4.356367917856061 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Glu-3-a_1 2.012991698786008 225.8334447338304 3.219913657595453 2.409170591019396 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Glu-3-a_1 2.024691245695435 277.7696994796916 0.5439916692771931 18.25344083342922 15_C1-20_SI_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Glu-3-a_10 2.080180313487864 235.3801543594347 3.218762058065488 2.551596110062543 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Glu-3-a_10 2.077513594408051 160.7080254193446 2.373931014325379 2.525111981006632 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Glu-3-a_10 2.077577691348713 253.5615627425058 3.339928687966383 2.764439514769956 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Glu-3-a_10 2.077587645549146 161.2851729403576 2.430175589602687 2.406997769861602 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Glu-3-a_10 2.06771947940436 597.0031686891685 10.56769159813152 1.991425049072326 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Glu-3-a_10 2.066850172717062 338.7502650912709 5.842386976867799 2.026078784472694 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Glu-3-a_11 2.080763345526478 160.6608596074041 2.446654116418721 2.238709324247047 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Glu-3-a_11 2.080984694774756 392.3142899814857 5.808250704566955 2.336752250145691 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Glu-3-a_11 2.081287392973111 274.465714722898 4.48879420467144 2.129314504142111 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Glu-3-a_11 2.070714866177372 1129.246413211322 16.85792068659558 2.353859187243919 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Glu-3-a_11 2.06963339725236 702.3673967401244 9.017256561370742 2.721105571363946 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Glu-3-a_12 2.073135325939838 417.3556081268189 8.203051314794596 1.815344605345103 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Glu-3-a_12 2.072310321217165 72.08502257969889 1.684024440810841 1.512116724448632 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Glu-3-a_13 2.07847572467606 479.2024169696264 7.279682190373161 2.670168108700516 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Glu-3-a_13 2.077411683759994 130.6230548922913 2.062217970890698 2.259590919608229 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Glu-3-a_14 2.081985142108002 358.4869468026379 6.289346355647583 1.930403402052347 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Glu-3-a_14 2.080493957662511 189.7415718212966 2.542882003042492 2.722916111396342 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Glu-3-a_2 2.029102604232552 4339.851488093318 14.85871123839924 9.573855763205533 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Glu-3-a_2 2.044153324661843 455.614282400881 5.187351522001284 3.217315924304262 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Glu-3-a_2 2.017781305671467 46.56477394413778 0.8700629535417274 2.223997954467825 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Glu-3-a_2 2.029370784244005 1388.763756817702 7.779954843266779 6.459810265503256 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Glu-3-a_2 2.018141441379221 54.36929223943658 1.046972141829246 1.81196379171564 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Glu-3-a_2 2.027695158501682 856.4701813302802 3.3467047805235 8.065061793646885 06_B2_SI_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Glu-3-a_2 2.028119997345494 2660.582014172311 15.14207031528429 6.039363283212211 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Glu-3-a_2 2.029424085782638 1126.17439489703 10.51091931557953 4.806968579596918 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Glu-3-a_2 2.028713152354306 3795.161638314986 16.14265481563386 7.723117418064906 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Glu-3-a_2 2.030013543399755 500.1137849786211 5.740982108948328 3.955021712180265 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Glu-3-a_2 2.018657918536915 1594.004138546732 7.105249945726891 6.902997573534051 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Glu-3-a_2 2.028491301976518 2457.256036332661 9.725108076118504 8.167758205868111 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Glu-3-a_2 2.028282979126294 1798.578168277799 7.627916301106052 8.136566567650856 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Glu-3-a_2 2.017625794494522 602.2681537900319 6.938206230304492 3.011517350627594 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Glu-3-a_2 2.043406788316031 51.38599002061256 0.4407903941291041 3.795536202619102 15_C1-20_SI_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Glu-3-a_3 2.04418613168394 1321.186768769863 11.65827427766237 3.911746882886217 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Glu-3-a_3 2.056052862399127 638.9235823067077 8.811686350360322 2.548854578411393 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Glu-3-a_3 2.028655820276592 1086.047681068456 6.304233053428437 6.024231606904055 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Glu-3-a_3 2.033641656244208 9421.728224723658 5.630355348369704 55.45105941276843 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Glu-3-a_3 2.028609450001195 4020.510355620381 14.96700290030279 8.606489309025267 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Glu-3-a_3 2.04333196092117 248.8218151798191 2.074191210073258 4.152605747217329 06_B2_SI_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Glu-3-a_3 2.043395930451533 913.6342449300217 7.223397611533819 4.188805897595516 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Glu-3-a_3 2.029894974760967 19576.78681805338 16.66089849232503 38.63651385282266 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Glu-3-a_3 2.044258424921078 1032.133853978612 8.205917588000503 4.289882356630304 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Glu-3-a_3 2.031880412027493 2730.000572668477 6.770563885218055 12.40696433722779 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Glu-3-a_3 2.020517165794217 189.1401397889098 2.78233544078534 2.251301216558548 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Glu-3-a_3 2.044048590125669 574.6675353375858 5.15849335489262 4.008449426272919 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Glu-3-a_3 2.043210082444315 681.6760424504076 6.322079997199821 3.722789248807185 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Glu-3-a_3 2.024567978261806 59.83329125841095 1.239108944854465 1.640894468953377 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Glu-3-a_3 2.0554792887827 130.7194758541965 2.394792865729026 1.834617976857332 15_C1-20_SI_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Glu-3-a_4 2.056138819392457 1828.927797355387 17.01962939506926 3.56084932771557 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Glu-3-a_4 2.058489933236718 425.5214737586625 3.506624348554409 3.807960833941522 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Glu-3-a_4 2.044308780893039 311.6512874406907 3.346792887579626 3.338617625131581 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Glu-3-a_4 2.043887545273887 876.3047172683083 7.746064284232688 3.805232439328355 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Glu-3-a_4 2.044194647814802 1084.098569901868 8.44592296973322 4.250258879394796 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Glu-3-a_4 2.05526335704067 314.0716805819704 5.33607998285035 2.053701920344297 06_B2_SI_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Glu-3-a_4 2.055266299715152 1022.971129521507 11.15664639811691 2.989058062568638 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Glu-3-a_4 2.044243494182697 982.9971077233347 12.86003818561331 2.900832168224159 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Glu-3-a_4 2.056141521635389 1165.544183730609 10.50817471887447 3.650242179162019 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Glu-3-a_4 2.044659036094231 1229.528331211104 12.70834441965726 3.378092111760928 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Glu-3-a_4 2.028607354049822 2618.588895810361 23.02832940538908 3.967672799677036 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Glu-3-a_4 2.056121745143653 632.297830913586 7.756286882987441 2.862679215775125 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Glu-3-a_4 2.055251513411625 920.3028194498154 9.14857083800868 3.439675673385147 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Glu-3-a_4 2.028193031766667 2049.649943374637 13.11848773912042 5.451636399476647 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Glu-3-a_4 2.068036083468582 53.32069146858655 0.3380027454138835 5.224382102758794 15_C1-20_SI_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Glu-3-a_5 2.066731271352186 301.7405335590394 5.346198417952587 1.972392829872954 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Glu-3-a_5 2.066694082389671 233.4124939701408 3.557412733833511 2.297211903032761 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Glu-3-a_5 2.056202466517272 409.5951962788287 7.089765944471412 2.000112585613305 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Glu-3-a_5 2.055466080894399 675.0735033973598 9.343729643668244 2.495775697998155 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Glu-3-a_5 2.05616758916871 467.0141485541834 7.068894956050561 2.374731684144989 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Glu-3-a_5 2.068139210978914 199.5996717650256 1.94875983658183 3.573818262850551 06_B2_SI_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Glu-3-a_5 2.068442773277984 701.2332848019898 5.407766201872559 4.406480630142235 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Glu-3-a_5 2.055899707963805 1180.662479161638 15.84988965106755 2.716842468331696 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Glu-3-a_5 2.066794064913203 186.858862711773 2.69601715499866 2.401871480353438 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Glu-3-a_5 2.056039817424229 1084.02178829079 14.37175884962224 2.632905499098261 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Glu-3-a_5 2.031463822626216 1146.923074260936 11.95349475178393 3.185339307304131 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Glu-3-a_5 2.069006674146993 386.6064224728167 3.931171127895844 3.569395095875149 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Glu-3-a_5 2.065878578094324 150.3375798170539 2.338184552505131 2.166023104376008 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Glu-3-a_5 2.030938957927293 67.16459259586959 1.542776849716871 1.591223258718064 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Glu-3-a_6 2.069541715346979 601.6925939451922 8.563644717071005 2.419774511537769 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Glu-3-a_6 2.069443977564861 453.6530601398398 5.554650137070517 2.823024996991151 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Glu-3-a_6 2.069504259385055 52.95227459679648 1.045192376471614 1.767707271379292 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Glu-3-a_6 2.057695586998248 276.7111547815745 3.916077436222924 2.391896670406079 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Glu-3-a_6 2.056768888417745 1351.285407071957 5.658859955235668 7.580411757751882 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Glu-3-a_6 2.079938090198208 79.83455936910138 1.697200190970577 1.784771659309476 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Glu-3-a_6 2.058388309503565 433.0408502703735 6.342072715790557 2.205211063452253 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Glu-3-a_6 2.069548177297586 325.6158467668629 4.414865245695416 2.590002476035363 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Glu-3-a_6 2.05830903264385 511.9628158883318 6.163294040730452 2.791102153926853 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Glu-3-a_6 2.034718064900274 1948.364419926471 12.42595850790806 5.148272863964258 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Glu-3-a_6 2.078893351864763 97.47701788762284 1.332259800891895 3.374361598741495 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Glu-3-a_6 2.068711817048681 319.8152387170341 4.41924401527424 2.539148334744107 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Glu-3-a_6 2.033688018049491 155.7494924722745 2.312414744061468 2.263394467003645 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Glu-3-a_7 2.072417462524816 116.5756483193295 2.759927458329894 1.523136276170771 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Glu-3-a_7 2.072329761453531 163.6101396336028 2.959047694419417 1.944334317613951 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Glu-3-a_7 2.077599031922235 17.14186138635597 0.3008298905942724 1.960081882194186 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Glu-3-a_7 2.066381315870726 180.6777353109114 3.181738116030211 1.987954201210598 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Glu-3-a_7 2.066800527797732 167.8795138629474 3.177064216560332 1.869210743372591 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Glu-3-a_7 2.066848486345051 363.3794718877887 6.32336586983587 2.010103941692082 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Glu-3-a_7 2.072343146147805 101.385784935371 1.802280550370923 1.94021322910334 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Glu-3-a_7 2.067097359217366 294.6644328300874 4.782832796577446 2.087090500527989 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Glu-3-a_7 2.045215565144856 3483.805163066701 27.31157309951113 4.220425998219971 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Glu-3-a_7 2.079828614063601 105.6674674838834 1.777033770070025 2.074801623910183 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Glu-3-a_7 2.044174907931154 2352.294901634229 15.63921468562345 4.881708650395295 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Glu-3-a_8 2.077642585910245 199.1064424247299 2.98533567245282 2.584142377426897 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Glu-3-a_8 2.077833047491138 167.2398400400056 2.308946655925447 2.683751189291681 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Glu-3-a_8 2.069153893541875 523.8080193532742 6.589574209221596 2.706385900474732 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Glu-3-a_8 2.069598323907309 413.0187303011612 5.717374479865129 2.520600800509668 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Glu-3-a_8 2.069814488002636 903.8088805584373 12.48139851275435 2.51821767993019 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Glu-3-a_8 2.080412848707218 182.4940867150029 2.52437357348094 2.625550091099042 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Glu-3-a_8 2.070022953268927 675.8889479391164 9.79440556026778 2.383348387826503 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Glu-3-a_8 2.056622442507346 1910.862822615539 24.84994318772349 2.708819716534276 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Glu-3-a_8 2.05600235687843 1332.896685855224 15.85967175575925 3.007974107297917 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Glu-3-a_9 2.080780075714826 192.1379405307957 3.245775685222367 2.022265345759749 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Glu-3-a_9 2.080571888756036 92.57962974287803 1.717928378076477 1.974726256129338 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Glu-3-a_9 2.072065640790909 103.3850218584856 2.039208840144936 1.81858868859741 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Glu-3-a_9 2.072488717105287 197.468839512491 3.56073483562118 1.943740018378233 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Glu-3-a_9 2.072557764446796 193.4794852625669 3.793637128544572 1.779549601384984 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Glu-3-a_9 2.07272422765468 83.8696168594321 1.781526859315304 1.642643222142605 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Glu-3-a_9 2.059165465899178 1005.274076599284 12.28585015399833 2.640301050465091 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Glu-3-a_9 2.058486881286739 267.7440880295866 3.941020758428739 2.166878095021052 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Glu-3-b_1 2.092413439503712 106.8309176773208 2.324294979211156 1.647905520932841 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Glu-3-b_1 2.092445520788071 74.24980042629308 1.373729669147642 1.982188598280525 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Glu-3-b_1 2.092897700674933 68.19663823453473 1.162285026887376 2.113201724100515 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Glu-3-b_1 2.092269045113147 117.898274169063 2.084935898096227 1.96627333538112 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Glu-3-b_1 2.092679980289276 106.5663355218505 1.995244187171596 1.914919720200831 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Glu-3-b_1 2.09156 27.276214 0.502758 1.924443 06_B2_SI_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Glu-3-b_1 2.09196782405883 105.2936161434078 1.824564065527591 2.069043005543478 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Glu-3-b_1 2.092747824258397 283.4014219965314 4.537121166272602 2.122603607132601 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Glu-3-b_1 2.092669548422474 137.7963050881964 2.104308894823799 2.34262705598352 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Glu-3-b_1 2.092974400893994 152.0732249261316 3.319797930995147 1.73853733523747 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Glu-3-b_1 2.093151105602959 396.1905203127236 6.47481523708997 2.08533506077326 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Glu-3-b_1 2.092437883379036 36.96345130767941 0.7940228964603102 1.690894017678628 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Glu-3-b_1 2.091912032288984 95.15017715809925 1.736233934432424 1.969683747621415 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Glu-3-b_1 2.092530764576119 107.4549818232028 2.074522613587445 1.769401186551238 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Glu-3-b_2 2.100421004280946 258.145899277596 4.277233168531517 2.098279157678951 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Glu-3-b_2 2.100362512033564 135.8330623705882 2.353278637306249 2.100878628764079 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Glu-3-b_2 2.100567033920263 30.99866011765715 0.8230107960946283 1.517531517642843 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Glu-3-b_2 2.100152062574317 128.8188140974402 2.438780990457832 1.869077299463015 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Glu-3-b_2 2.100533032300381 125.1147860832335 2.485804769428142 1.822347827976786 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Glu-3-b_2 2.09971 26.452534 0.549878 1.848533 06_B2_SI_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Glu-3-b_2 2.09966848211571 43.50433724985852 1.102288551828306 1.468426343534158 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Glu-3-b_2 2.100472298133059 278.6537010996598 5.113601526667212 1.941084205722164 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Glu-3-b_2 2.100458160361917 73.48280573235641 1.548190301820183 1.737823375862553 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Glu-3-b_2 2.100870030082663 217.0717394367965 4.063208708089046 1.864082447881578 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Glu-3-b_2 2.096711709688492 101.3066801297421 1.606732856433862 2.224961853348365 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Glu-3-b_2 2.100251267877082 116.3927103893606 1.720241232695781 2.417147118414896 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Glu-3-b_2 2.099580937084127 80.59561414553713 1.659076192040966 1.759311774016378 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Glu-3-b_2 2.100202140568376 228.4197906749521 3.814861021919785 2.184219701004528 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Glu-3-b_3 2.104532046474267 279.1013722499723 4.429664888285081 2.118199941023713 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Glu-3-b_3 2.105002731217591 288.8284735557758 3.1200083489277 3.310446594771456 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Glu-3-b_3 2.105496433721294 92.80885075178303 1.426100447698478 2.95989617620465 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Glu-3-b_3 2.10481878585297 310.255906778892 3.823018057589727 3.125969913184733 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Glu-3-b_3 2.105026686744237 240.7334090711564 3.2651713072148 2.847012159182427 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Glu-3-b_3 2.10432 49.049399 0.786536 2.458417 06_B2_SI_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Glu-3-b_3 2.104102751851386 148.8162315502445 2.124070347893666 2.738093665031612 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Glu-3-b_3 2.104565786627651 374.5254029429252 6.244072694940765 2.066611165419976 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Glu-3-b_3 2.105080273981902 180.5378024326623 2.435569334541464 2.89690696749388 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Glu-3-b_3 2.104785197783086 237.5954689151598 4.255826516255524 1.902344867198678 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Glu-3-b_3 2.101208465242442 788.7507099209118 11.57425850711852 2.377053251253094 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Glu-3-b_3 2.105170785805379 306.585153692251 2.571021635550104 4.052216489738369 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Glu-3-b_3 2.104230948946944 235.7073926267206 2.899836339319811 3.065176177953099 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Glu-3-b_3 2.104950090519542 558.8453808610823 6.828236325579004 3.044317951273874 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Glu-3-b_4 2.10646880239895 125.2171955494987 2.539824208478254 1.720248848568584 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Glu-3-b_4 2.112819988843008 467.1419365618027 4.557381484230666 3.517971356171982 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Glu-3-b_4 2.113194365812285 114.2675589050738 1.611410459196607 3.022573860750297 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Glu-3-b_4 2.112967268833651 567.0530419299561 4.943244875281091 3.965925417710888 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Glu-3-b_4 2.112991194293248 535.3973101046214 4.649929071102756 3.831248465168302 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Glu-3-b_4 2.11214 63.795161 0.920247 2.794329 06_B2_SI_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Glu-3-b_4 2.112475124582006 335.7713139153892 3.192378348833272 3.659221681308756 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Glu-3-b_4 2.106551491373675 270.6150806182794 4.682604136328956 1.974549932429598 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Glu-3-b_4 2.11316477545475 280.8661171740671 3.079812002524111 3.311157894747006 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Glu-3-b_4 2.106765715969138 151.1393298561503 3.159153126278355 1.682770943259368 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Glu-3-b_4 2.105106834877151 485.8172090575703 8.280033774595386 2.016776284130313 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Glu-3-b_4 2.112640490440556 248.8817946313931 2.96466299624228 2.995557941301268 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Glu-3-b_4 2.1122658507109 448.8023312856534 3.937637230883121 3.894499862204221 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Glu-3-b_4 2.112735679481617 820.6257503532355 8.462311656096857 3.374918325436219 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Glu-3-b_5 2.112351109684866 418.6000883687589 5.37674338646219 2.534565770731423 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Glu-3-b_5 2.118119263960768 91.49754575182855 1.727902835278971 1.898526754339806 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Glu-3-b_5 2.117977255103027 43.18890884832202 0.9468049032470748 1.725329586727451 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Glu-3-b_5 2.117853754946827 115.8662220426371 2.484334329463071 1.71948492482349 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Glu-3-b_5 2.118195561055121 97.9885622822032 2.252892197465201 1.63259560420226 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Glu-3-b_5 2.11731 19.743579 0.493054 1.501158 06_B2_SI_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Glu-3-b_5 2.117311722041813 86.97478647243167 1.750083543673217 1.814067442242237 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Glu-3-b_5 2.112504732342666 338.5838406213984 5.963484507851884 1.964970408648132 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Glu-3-b_5 2.118066705710549 79.90826008203359 1.629905718369272 1.799594563685505 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Glu-3-b_5 2.112782286102395 248.7584707158524 4.414910442587148 1.919596786813055 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Glu-3-b_5 2.107144233638843 430.2789475516469 7.002079191424275 2.077776788853126 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Glu-3-b_5 2.117926027520166 76.53178048278637 1.342813089517876 2.019430616091868 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Glu-3-b_5 2.117301893837063 131.6981570927174 2.350457689603558 2.003308978029982 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Glu-3-b_5 2.117946934993029 333.4644372985691 5.183807399946673 2.244562118131365 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Glu-3-b_6 2.114227714263086 171.2134098219715 3.043034422389864 1.876798727106291 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Glu-3-b_6 2.121903329271829 173.4454573808528 3.47832959682816 1.749190786980637 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Glu-3-b_6 2.114292292261911 452.5977517628673 6.100354025469868 2.362086728925408 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Glu-3-b_6 2.122744191363837 195.6037795987324 3.685654800084479 1.836497540977736 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Glu-3-b_6 2.114624830974921 292.7051171615217 4.937485119956285 2.001826396507224 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Glu-3-b_6 2.11310184071391 590.2268741088787 9.61186441075336 2.099346142825978 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Glu-3-b_6 2.121908237911166 178.8790764667684 3.707695112325205 1.693768236105619 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Glu-3-b_7 2.118024629197083 205.3124090343296 3.805819333502959 1.982602647771511 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Glu-3-b_7 2.118058641575175 353.5139137032708 6.218681330708004 2.03814370987285 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Glu-3-b_7 2.11834779875175 262.9014622007307 4.742583815995292 1.987488298758501 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Glu-3-b_7 2.114982389584838 413.8486380207721 7.549161315845542 1.893628970211731 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Glu-3-b_8 2.122775529917417 398.4366110727424 7.801601214253749 1.78389953884978 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Glu-3-b_8 2.123063986942521 197.6866873751874 4.437397106096053 1.570664238607649 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Glu-3-b_8 2.118729675234462 457.5049332545917 8.321091487163672 2.012756181616254 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Glu-4_1 2.323492734555164 696.3894373374134 11.41799129001276 2.064911231098495 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Glu-4_1 2.32348934867638 386.9785802634064 6.496394710724958 2.110728203913883 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Glu-4_1 2.323722363577554 175.0089698024119 3.019129277108347 2.022597937792574 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Glu-4_1 2.323287234256606 563.3748111177315 8.681172185592798 2.213411586322105 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Glu-4_1 2.323613089705277 345.8063750820813 6.940912036512511 1.769977622043406 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Glu-4_1 2.322755363735499 369.9179420429507 6.152530136020772 2.090150353710952 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Glu-4_1 2.323509886136557 955.0145828465198 17.30186115567624 1.947195646956965 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Glu-4_1 2.323525485636846 466.6186409517145 6.885426204254184 2.313826242977463 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Glu-4_1 2.323754989878994 838.5094849774114 13.42669166372096 2.122199531197254 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Glu-4_1 2.324065282549998 1674.054325203123 25.90595627642328 2.208186693524454 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Glu-4_1 2.323714791738022 279.7845328651309 3.908481059942064 2.386546514429177 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Glu-4_1 2.322775037426649 395.8551958025553 6.559506640949108 2.08527312072327 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Glu-4_1 2.323362280728953 1081.263497024767 14.8493761901152 2.436856211258651 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Glu-4_1 2.333929676981888 169.779009292111 0.742880234021015 8.107718737035873 15_C1-20_SI_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Glu-4_10 2.356869797956527 462.1846176388441 8.986831291472487 1.788083341499577 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Glu-4_10 2.356876922334842 270.5804255320879 5.091914151699114 1.862056058729148 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Glu-4_10 2.356630156516584 388.9031442778974 7.096015415964972 1.909325538630105 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Glu-4_10 2.356991421483983 275.1025710300697 5.943860355583054 1.650947259906548 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Glu-4_10 2.35613633101749 245.1412261390128 4.648699717035327 1.84189669986384 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Glu-4_10 2.35690167289514 275.8479975282154 5.005062571806862 1.93224114910269 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Glu-4_10 2.356069094740401 268.4503538983444 5.227799824200605 1.817229461500568 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Glu-4_2 2.327799750211142 242.5096429833187 4.271868836368453 2.035343415096675 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Glu-4_2 2.326932339246276 137.5749327446398 2.498794185870916 2.017359089738995 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Glu-4_2 2.330689906190029 121.592795874342 2.596912306293683 1.638797101149199 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Glu-4_2 2.326721189619994 131.3311809237139 2.74800183905039 1.71278528232127 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Glu-4_2 2.327149702261529 139.5473730029478 2.72110517917338 1.871469321347023 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Glu-4_2 2.326015584377689 83.88331036208406 1.78089507931742 1.71670597447725 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Glu-4_2 2.326812106208175 130.3781860063289 2.797138445236369 1.718472309569443 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Glu-4_2 2.326872249614772 98.20382446388449 1.945322202926379 1.815634007804888 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Glu-4_2 2.330794274196088 830.6638554985649 13.49442234370432 2.091790881364193 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Glu-4_2 2.331082641155317 1701.153274739681 27.31626161614027 2.15927934290372 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Glu-4_2 2.330507264882447 245.0438523947878 4.106435670215574 2.091406418749402 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Glu-4_2 2.326101736497062 85.19101290245068 1.889770042596117 1.661964719150458 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Glu-4_2 2.326687849267361 180.5824575622726 3.399622887837338 1.870058440092865 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Glu-4_2 2.344813951293953 102.3999419067095 0.6363126978846466 6.061573084248222 15_C1-20_SI_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Glu-4_3 2.330518227427921 599.1972142373802 11.01097836734833 1.901986762556128 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Glu-4_3 2.330449751040176 420.2153076973129 6.680180982765003 2.132038216597492 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Glu-4_3 2.334523618057892 139.321443955859 2.774967821610313 1.770824061300298 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Glu-4_3 2.330294605722199 458.9356244397245 8.407680724356444 1.913421099063554 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Glu-4_3 2.330666776225735 371.5925307719176 7.57199408506112 1.745344403021987 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Glu-4_3 2.329797747635899 458.4246704672515 6.91461865471644 2.210392524442265 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Glu-4_3 2.330557212697904 1130.933507000323 18.21097105451576 2.109040070698885 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Glu-4_3 2.330516889106909 397.7928412392121 6.549234754465298 2.109439913879912 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Glu-4_3 2.334738222083046 711.8533066052161 12.69354454905623 1.962672076832823 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Glu-4_3 2.335006763242014 1276.441827566125 23.1763068698393 1.938732951763256 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Glu-4_3 2.334480381584069 254.7436050313425 4.1656323371454 2.145805846547799 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Glu-4_3 2.329784271051493 403.552970754183 7.05448182500287 1.996026906187644 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Glu-4_3 2.33028644043055 1154.439009010366 15.93939813951805 2.478249597932238 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Glu-4_3 2.356378750297314 11.09031177215612 0.274321128643722 1.471940723515415 15_C1-20_SI_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Glu-4_4 2.334416797247459 568.6784128679147 11.03285271593494 1.833193823476899 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Glu-4_4 2.334396398634363 411.4935408043488 6.629069303480771 2.165915077498692 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Glu-4_4 2.337407082615833 155.7492000765078 3.065296048653061 1.783963137534981 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Glu-4_4 2.334113995342524 432.3974086644891 7.640432857936834 1.927224137098761 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Glu-4_4 2.334451945193528 362.0030377542878 7.230213276114505 1.788578283191978 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Glu-4_4 2.333588753006354 347.9310921037573 6.316305286725858 1.97495280313286 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Glu-4_4 2.33445365619939 940.0157323475584 16.63378621336904 1.960915031822608 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Glu-4_4 2.334326692583971 474.8055846814574 6.718367022662476 2.361508119333626 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Glu-4_4 2.337553031806564 749.933730289761 13.41331342211864 1.902344867198678 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Glu-4_4 2.337848708961109 1540.525898613018 25.90969321119585 2.016776284130313 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Glu-4_4 2.337382656456427 275.4600008250367 4.480043992618749 2.135060804181814 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Glu-4_4 2.333582040419889 336.7592666874531 6.497185596143094 1.873252367185801 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Glu-4_4 2.334312342924958 947.1948807457957 14.69400237331164 2.236047523514232 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Glu-4_5 2.337249641073037 572.2344305240154 11.41337567865551 1.735332547119575 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Glu-4_5 2.337314637010763 371.185272733659 6.495162818819568 1.968225145140477 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Glu-4_5 2.342515304463307 131.5145710300916 2.472204069592645 1.845573651757545 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Glu-4_5 2.336968611879026 640.235808580954 9.412532699107105 2.277404330298732 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Glu-4_5 2.337393305630515 430.414148170371 7.971468389844565 1.823841576632385 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Glu-4_5 2.33656022603327 410.6763517439471 6.910195160511418 2.03837456712822 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Glu-4_5 2.337328840240645 1016.295149981884 18.24660709482357 1.926402597623186 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Glu-4_5 2.337315950679859 634.0437110951916 7.760842975011447 2.649674020775 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Glu-4_5 2.342827496904319 822.5893029400497 13.44480475838057 2.091973961127913 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Glu-4_5 2.343240274997968 1388.351424836183 23.79589277647984 2.016776284130313 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Glu-4_5 2.342548593142925 301.3788093068094 4.113177987523145 2.469365543618113 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Glu-4_5 2.336516159532796 442.380485974684 7.384246710355135 2.058708621017 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Glu-4_5 2.337201496078453 836.3848251431245 14.27686864743424 2.026078784472694 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Glu-4_6 2.342463841765058 887.8246103990049 11.76198104780778 2.427114227111372 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Glu-4_6 2.342467279785119 589.1624229198341 6.797958665477161 2.832818355449115 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Glu-4_6 2.344945478240292 251.7611893556909 3.955098209496735 2.219457170759743 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Glu-4_6 2.342204158602759 466.2734704059805 7.240998219341083 2.096993295523298 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Glu-4_6 2.342549976960395 598.6944119769312 7.516039756071645 2.498411637250314 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Glu-4_6 2.341691728785621 621.4269302548015 6.556796861393677 2.971255454437386 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Glu-4_6 2.342604253716178 1037.64205133352 17.10125590513495 2.099398637528349 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Glu-4_6 2.342492931380642 464.874321431887 6.281534225489493 2.501080974755363 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Glu-4_6 2.345309882162224 755.7575877545545 13.42847269974385 1.967140781430654 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Glu-4_6 2.34567630223565 1383.392532839673 22.4552534947175 2.128129178851242 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Glu-4_6 2.345052885099026 266.7766787313431 4.333335870636625 2.148109773022782 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Glu-4_6 2.341644925880099 549.1592010746286 6.669964778695533 2.646359242438054 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Glu-4_6 2.342254987791606 1522.571617339066 15.19888642116734 3.321209168181841 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Glu-4_7 2.345087883240418 748.4959819418315 13.15811575763768 1.933049703439824 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Glu-4_7 2.344985821303144 428.6566418037955 6.797257924827687 2.139794867976349 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Glu-4_7 2.348416473468146 135.912806280541 2.674477414429487 1.780610362366078 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Glu-4_7 2.344545134101841 648.1580220854262 10.2659734186778 2.188585845786385 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Glu-4_7 2.345047929383221 518.9161587814305 8.517552225870078 2.052577786843213 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Glu-4_7 2.344232717889874 461.8979678096214 6.377693026915426 2.38017269620726 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Glu-4_7 2.345077374449267 977.3165871373801 17.10173779492456 1.99452500385918 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Glu-4_7 2.344989691339178 524.2165093952216 7.554833272742384 2.375324843615791 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Glu-4_7 2.348604184230984 556.8767092502887 10.50834086334572 1.849080693367092 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Glu-4_7 2.348855567322385 1232.181543876314 20.21591734719705 2.10581678391234 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Glu-4_7 2.348413694389605 181.5463283174034 3.205566645256445 1.998656435165458 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Glu-4_7 2.344127011968198 509.986652501558 7.359009714474548 2.339809997314751 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Glu-4_7 2.344980689136188 928.9697332325505 12.37745622491907 2.48700308986386 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Glu-4_8 2.348390163584284 426.6676777125692 8.549259077054057 1.741374687517236 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Glu-4_8 2.348363802702146 267.0726590408865 4.97960842226361 1.886803980330226 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Glu-4_8 2.356969760303408 126.7831168469539 2.62839873948794 1.729405229469322 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Glu-4_8 2.348106266545156 386.8304202028106 6.95904161378369 1.933810458005923 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Glu-4_8 2.348456616116229 280.2933354126946 6.086048585174067 1.650423963688297 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Glu-4_8 2.347652136688283 262.5664972334251 4.948190774944448 1.852539764054291 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Glu-4_8 2.348392751739006 766.0684676528282 13.89442545570158 1.923791293440994 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Glu-4_8 2.348391499771795 314.3626627136532 5.560573220416847 1.985051086327431 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Glu-4_8 2.353721602805122 50.92661700333915 1.230649874065983 1.483668614364525 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Glu-4_8 2.357441540723803 1305.479018337219 21.97705413216989 2.066174733111714 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Glu-4_8 2.356947358160447 178.5840437260629 3.197282245363419 1.948913832168366 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Glu-4_8 2.347575397068132 270.0722462045739 5.504028486016526 1.786797497242565 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Glu-4_8 2.348305307800104 689.7794260347083 10.94350566753669 2.141909020258145 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Glu-4_9 2.353463773263848 167.5508158149601 3.520362001719494 1.628348280505143 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Glu-4_9 2.352843825003508 68.45532240951145 1.384702420316219 1.808056204996096 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Glu-4_9 2.352409253799151 102.2610099587644 2.174624755974664 1.640804019631269 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Glu-4_9 2.352927317953224 85.15467363079398 1.729529156488254 1.815232120405813 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Glu-4_9 2.35175486701668 45.01624805688368 1.015641311394339 1.833481174231637 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Glu-4_9 2.356914443039202 893.7038317531085 15.34630039059861 1.991250713428103 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Glu-4_9 2.352537568298245 48.65697233438371 1.009727798131999 1.896745623639257 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Glu-4_9 2.357163490376518 533.3143776455487 10.52548208880295 1.779635699488896 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Glu-4_9 2.35155205278268 65.90555763522647 1.39039687925917 1.852465585560542 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Glu-4_9 2.356731412281299 487.9424418509515 9.296250601407683 1.856138942387204 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Gly_1 3.546497929421378 4431.537170112758 110.470266702323 1.399716091081222 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Gly_1 3.546484184033686 2902.053827601869 61.17451344660275 1.676728964292339 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Gly_1 3.546436184280449 1490.58980216781 36.37891357670267 1.477320402076264 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Gly_1 3.546069157030067 2281.978443887793 54.58960952300126 1.50809785455911 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Gly_1 3.546548707147218 2539.630830885046 63.75211126219759 1.413328175211089 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Gly_1 3.545406305670209 644.8525653110383 14.25248636750355 1.622170097131515 06_B2_SI_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Gly_1 3.545639176901264 2137.641978192155 50.08618251711615 1.530183911519773 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Gly_1 3.54675674581218 3655.508549450986 83.54592573027205 1.549075882186984 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Gly_1 3.546485616258101 1418.681339173829 31.71504187444633 1.580555869106968 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Gly_1 3.546973203392113 3130.66849181407 75.50938363245355 1.463342205537445 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Gly_1 3.547927307263214 6798.283490809165 157.6890351516312 1.528124731276063 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Gly_1 3.546418351305074 1777.34625484648 37.80779066965572 1.687004964478417 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Gly_1 3.545558609576744 1621.031948697761 38.09212198746953 1.528878306779266 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Gly_1 3.54683964331831 5185.5916316054 114.0404722062166 1.639253088096848 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Gly_1 3.545521021907638 159.1225921261459 3.763397034017431 1.515927391690657 15_C1-20_SI_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Glycogen_1 5.418553269586919 121.7266549099416 1.68388728104932 2.46390524599949 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Glycogen_1 5.408596631805172 56.27448604307241 0.3787926332642436 4.571278163803459 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Glycogen_1 5.40904561044993 25.60830261618475 0.1496452430846181 8.16099968592705 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Glycogen_1 5.409137519965028 25.75604456363661 0.2190495576578574 4.102680986854646 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Glycogen_1 5.408889165828157 62.16733723997257 0.3780647777167054 5.059687375035697 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Glycogen_1 5.409410359987047 72.52886333073108 0.3200516469728721 7.533342906052441 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Glycogen_1 5.408984379099629 61.90004730155885 0.4106940828076957 4.637673510377149 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Glycogen_1 5.409932641926041 64.7352708051269 0.289543055020313 9.596650340477622 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Glycogen_1 5.409527037711338 43.24684414151697 0.3369982631200203 3.948702317798758 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Glycogen_1 5.408614136738798 181.0840638672025 1.046653731319316 6.536453870481279 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Glycogen_1 5.40725 30.799555 0.311115 4.056757 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Glycogen_2 5.424050047934237 212.4228249727294 2.593597872787338 3.40524410015479 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Glycogen_2 5.4124 6.474141 0.207388 1.48876 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Glycogen_3 5.429464663947944 73.70533679403597 1.406699886417919 1.988027021392159 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Ile_1 0.997323269859844 361.3575558357501 6.809488359658476 1.855046379038116 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Ile_1 0.9973345754867128 370.7840261292116 6.815878960765256 1.956566531337353 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Ile_1 0.9974408816145603 82.70824979877436 1.536113797174532 1.906373088257365 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Ile_1 0.9970659517993928 312.9793976365237 5.063790389892252 2.129218691719722 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Ile_1 0.9974546287113016 209.6131070824708 4.172836169723861 1.789631661580218 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Ile_1 0.9965979468182613 117.7959125495784 1.935127925321195 2.13849261018313 06_B2_SI_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Ile_1 0.9965471524153284 118.046033178982 2.10746364058569 1.954439666941502 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Ile_1 0.9974219950536175 311.2529717218894 5.38122088781342 2.021196817698615 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Ile_1 0.9973579163633329 172.3739980414502 2.95983649244546 2.066491038927463 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Ile_1 0.9977062032913819 202.364384514214 3.752255205518645 1.892346451929635 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Ile_1 0.9980711811732208 610.3033660868708 11.93022917135774 1.836182937157787 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Ile_1 0.9973722618824817 257.7091967229684 4.345160064115482 2.096432159697042 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Ile_1 0.9965471524153284 133.079852798667 2.420240972824217 1.951283811701484 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Ile_1 0.9972632152079587 530.2394321617753 8.974133137021958 2.061628810905 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Ile_1 0.9967490047496459 13.36869769950812 0.2389272665458673 1.885292663459174 15_C1-20_SI_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Ile_2 1.009016176610774 390.297754748281 7.235975677871325 1.882044621566669 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Ile_2 1.009050090525882 582.650756209074 8.655741935197291 2.290398774829736 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Ile_2 1.009192921665087 85.973643097766 1.649914775984432 1.869383329033201 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Ile_2 1.008838441029934 327.995635998121 5.266688410569173 2.127068385670142 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Ile_2 1.009178335598115 254.1749747907752 4.513975889494596 1.954296603294362 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Ile_2 1.008312149932379 121.4111272600831 2.082297675758578 2.053701920344297 06_B2_SI_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Ile_2 1.008255108740556 139.9979622560541 2.333062355781525 2.080609006088068 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Ile_2 1.009150034731736 300.9706132828852 5.55478646743232 1.932679547842957 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Ile_2 1.009082536316485 190.2494790381026 3.17908374397748 2.099011293811018 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Ile_2 1.009421087390137 205.4210018403999 3.798261206036694 1.904856404676477 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Ile_2 1.009748627952332 661.7020014905273 12.59970592756811 1.882905973109466 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Ile_2 1.009088014311075 314.223592442069 4.80158627174695 2.271221881320709 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Ile_2 1.008244109241056 159.4008813575555 2.670677824272832 2.082572740485562 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Ile_2 1.008963337013082 552.3572859173511 9.380820099531867 2.078008316662448 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Ile_2 1.008651005767502 20.56759261201231 0.3551508813066039 2.028263407099519 15_C1-20_SI_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Inosine-1'_1 6.090593749639122 322.7629078801147 5.596174812550201 2.029322444714346 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Inosine-1'_1 6.090871480202318 292.1746594815662 4.912592082658194 2.132349734460044 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Inosine-1'_1 6.091677586979294 204.2981891564212 3.679969249782397 2.033144402957779 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Inosine-1'_1 6.091136102818497 137.4146706673821 2.21329734288885 2.189312021164422 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Inosine-1'_1 6.091205057800789 276.1579601202661 5.262601694529269 1.914727116585583 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Inosine-1'_1 6.091215745249871 27.89892375832057 0.4934188928359856 2.052317232167934 06_B2_SI_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Inosine-1'_1 6.090515092228785 159.0091032966522 2.87063333322322 2.021622109704233 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Inosine-1'_1 6.090450155474696 495.8750017033668 8.556480913223808 2.080941261677103 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Inosine-1'_1 6.091218394897174 209.3746359495561 3.380228010441057 2.211781025447583 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Inosine-1'_1 6.091181280810357 515.5985041345675 9.002718216377405 2.043792348989405 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Inosine-1'_1 6.089464845862751 1027.191077734667 17.79533599213515 2.069529588395529 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Inosine-1'_1 6.091322170080135 152.9738077152195 2.611166172510516 2.160192359509069 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Inosine-1'_1 6.090569801536118 50.15660342718029 0.9816091938284437 1.903154055999184 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Inosine-1'_1 6.089706964700529 210.8998352384179 3.659532607387928 2.13253499173128 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Inosine-1'_2 6.10012094661854 321.6050967069826 5.65651267906186 2.028361936710831 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Inosine-1'_2 6.100399194257006 274.9603537922917 4.799042998017494 2.10991437575506 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Inosine-1'_2 6.101195067686831 214.8656994709108 3.832469285063071 2.02632098782653 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Inosine-1'_2 6.100696774698672 137.9087827523374 2.183902503135259 2.203381204908758 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Inosine-1'_2 6.100768899694341 284.1157583672315 5.309211872240251 1.940565239651405 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Inosine-1'_2 6.100796523098721 31.14000151394223 0.5693764077116049 1.988742397919131 06_B2_SI_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Inosine-1'_2 6.100045235592586 160.9852798060102 2.936752802219532 2.007031386037253 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Inosine-1'_2 6.099981639163343 493.3644594259981 8.621375459977648 2.08330946591045 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Inosine-1'_2 6.100753353770246 203.7358090530891 3.450552072916995 2.136692595953822 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Inosine-1'_2 6.100706202635899 526.5802449683038 9.00192055781211 2.079158543545408 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Inosine-1'_2 6.099011117445936 1041.531442687834 17.52672672165995 2.131332349501391 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Inosine-1'_2 6.100845977373013 163.0782698415582 2.722171467699681 2.199097291661625 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Inosine-1'_2 6.100173989456193 67.18246699931035 1.140869293896093 2.115846155849074 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Inosine-1'_2 6.099336772104058 254.9307681704958 3.961489379218374 2.307227144424868 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Itaconate-5a_1 5.368531743510547 213.1532124928898 3.328157689478654 2.184824240284125 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Itaconate-5a_1 5.367758384019617 22.57289958531872 0.3367396885946303 2.655441950398956 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Itaconate-5a_1 5.368713744880961 31.48842594205954 0.4345592482883919 2.415632574485279 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Itaconate-5a_1 5.368788600777769 44.61049686288319 0.4145007380723668 3.864203404009319 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Itaconate-5a_1 5.36855529286289 38.03558304447714 0.5237733747332914 2.656001852075372 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Itaconate-5a_1 5.369082628043817 26.57106971423026 0.4729587736220637 2.002136166491067 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Itaconate-5a_1 5.368787527744078 91.86948580415641 1.130996078706386 2.804100312764985 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Itaconate-5a_1 5.367802869174644 74.97751935763388 0.4347796519044222 5.306271816822627 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Itaconate-5a_1 5.36828 160.341829 1.395346 4.078168 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Lac-2 13C-B_1 4.21059519192834 132.5437803786587 3.665892972756561 1.371842875919636 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Lac-2 13C-B_1 4.21059519192834 126.7984018297448 3.125596369339379 1.495658531883906 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Lac-2 13C-B_1 4.210613087546016 86.19435959211309 2.24578470277239 1.434500011369764 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Lac-2 13C-B_1 4.210280833056704 14.72203514332719 0.4781432311900528 1.10130019320642 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Lac-2 13C-B_1 4.210706110953159 91.40662620271644 2.700379036325847 1.274944796589321 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Lac-2 13C-B_1 4.197794693138737 11.32584299580254 0.2447217080768455 1.675111649720882 06_B2_SI_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Lac-2 13C-B_1 4.209762490549831 59.18171575195205 1.846807868253115 1.255158635827356 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Lac-2 13C-B_1 4.210876380576553 76.36832553725942 2.22730241674316 1.300532969133132 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Lac-2 13C-B_1 4.210575956665433 71.94333410271696 1.823995964318705 1.442848618867443 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Lac-2 13C-B_1 4.211064053247484 101.4859699244791 2.592770076728702 1.442096850721159 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Lac-2 13C-B_1 4.205873862810713 37.45306093755561 0.9082091515733206 1.478522838097678 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Lac-2 13C-B_1 4.210600497947765 100.6637974526305 2.501215889962589 1.483794296724512 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Lac-2 13C-B_1 4.209646974989173 59.08649223863186 1.583931066428058 1.370937900445818 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Lac-2 13C-B_1 4.210866500842903 234.8134747505461 6.227204599214809 1.496908652013045 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Lac-2 13C-B_1 4.215270427980361 25.79811243477952 0.4614646971541604 2.010892852527495 15_C1-20_SI_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Lac-2 13C-B_2 4.216760893832348 577.492005098566 9.046827095193043 2.250799869998288 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Lac-2 13C-B_2 4.216285066400436 320.2826000525952 5.521073997030978 2.03606834392697 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Lac-2 13C-B_2 4.216335867441779 235.166781826197 4.19686170830886 1.972712526359905 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Lac-2 13C-B_2 4.216123836442169 95.12516120422835 1.673467756593089 1.998372833609186 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Lac-2 13C-B_2 4.216441822551714 256.4187134333758 4.810469177737849 1.8599156206212 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Lac-2 13C-B_2 4.203457131117925 17.83443414009424 0.4171696569132138 1.609357285768006 06_B2_SI_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Lac-2 13C-B_2 4.21557542173891 212.6019436417828 3.833841483495576 1.956040032324304 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Lac-2 13C-B_2 4.216781462829807 342.7513089933169 4.916372323754333 2.351300469761215 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Lac-2 13C-B_2 4.216296321952341 222.5540986642729 3.793096834090475 2.068427042697395 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Lac-2 13C-B_2 4.216805341101889 318.2359320580279 4.981783532437825 2.187350984745492 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Lac-2 13C-B_2 4.211888928872096 172.9813022918828 4.718374604505549 1.351631521362286 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Lac-2 13C-B_2 4.21629712834609 259.7642075080128 4.729767524985862 1.952185890068307 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Lac-2 13C-B_2 4.215428376149724 173.9750862284709 3.301481947658274 1.889128402179039 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Lac-2 13C-B_2 4.216626077927867 634.3968460705747 11.14675676923602 2.01740146001897 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Lac-2 13C-B_2 4.221087522414711 21.37298362724637 0.4438150145724554 1.736474466761599 15_C1-20_SI_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Lac-2 13C-B_3 4.221833089309738 400.9378243089569 6.232721228772974 2.244555188274233 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Lac-2 13C-B_3 4.221779612505427 401.7628944836392 6.206035485122706 2.258845520809523 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Lac-2 13C-B_3 4.221837083202646 257.5880957640251 4.640663547366079 1.967077861158572 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Lac-2 13C-B_3 4.221170012170035 135.827941333909 2.167335419395522 2.215831729675323 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Lac-2 13C-B_3 4.221977789882431 290.8629976498289 5.309281606817249 1.964171062164123 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Lac-2 13C-B_3 4.209467048500322 35.4869161877514 0.8539613987820053 1.57672088881596 06_B2_SI_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Lac-2 13C-B_3 4.221079459809356 193.9300477621177 3.87223229639616 1.795602888541253 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Lac-2 13C-B_3 4.222091228660249 292.8479940829981 4.780312972607327 2.129509646587093 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Lac-2 13C-B_3 4.221771161177206 336.0445406058209 4.381671468760093 2.535240780802539 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Lac-2 13C-B_3 4.222071078587383 530.5563571887337 6.068315525216408 2.936463282717092 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Lac-2 13C-B_3 4.217705650616846 421.4859097052478 8.121581012377774 1.895552069154434 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Lac-2 13C-B_3 4.22188640740723 309.7655548579892 5.160922223225991 2.094289767999285 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Lac-2 13C-B_3 4.220977789882431 190.2036512892663 3.606044763902468 1.873503520117396 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Lac-2 13C-B_3 4.222268976956743 709.2611115916411 12.72560975157423 1.997537119739807 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Lac-2 13C-B_3 4.22713516483436 17.88641217289987 0.3648164428408372 1.775716627765898 15_C1-20_SI_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Lac-2 13C-B_4 4.22526325804326 104.8309835663724 1.102502475141474 3.716010917716533 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Lac-2 13C-B_4 4.227988515923768 350.8138315648674 5.407025073639681 2.253231262687291 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Lac-2 13C-B_4 4.227951558068975 236.4409695374064 4.051392587228113 2.068969255081795 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Lac-2 13C-B_4 4.227624003329047 60.40343072921367 1.164427307149799 1.882120728563567 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Lac-2 13C-B_4 4.228068473856943 273.3640722226121 4.889212979706214 1.966344635405792 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Lac-2 13C-B_4 4.215242956493963 76.15161953155798 1.520573223118805 1.885125006633485 06_B2_SI_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Lac-2 13C-B_4 4.227158653215081 214.4682289781648 3.528669417728844 2.102843357188314 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Lac-2 13C-B_4 4.22585305332406 40.88568183641475 0.863576005364533 1.621267939372148 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Lac-2 13C-B_4 4.227980214485421 222.088723969737 3.587955566190596 2.193920908807702 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Lac-2 13C-B_4 4.226142921151479 43.87969349586204 1.031643076871151 1.476545551544692 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Lac-2 13C-B_4 4.221135468886504 305.969795706666 3.825492887216835 2.580397161069628 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Lac-2 13C-B_4 4.227966641529919 249.2843687516222 4.405724879690679 2.030120654628532 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Lac-2 13C-B_4 4.22704404964559 185.1213003674447 3.208129281179275 2.030694752489242 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Lac-2 13C-B_4 4.228289562615188 824.4909635251448 12.31040055103498 2.311084902019508 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Lac-2 13C-B_4 4.232547138576382 28.36325819220952 0.360469005824808 2.496001796228634 15_C1-20_SI_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Lac-2 13C-B_5 4.228112117549887 287.754656212217 5.196012627619181 1.937387935995383 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Lac-2 13C-B_5 4.23322668988106 459.8595328199007 6.128954274856984 2.676462364108561 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Lac-2 13C-B_5 4.233440810846668 211.9118220453044 3.909544018965746 1.926466196308388 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Lac-2 13C-B_5 4.232601322274952 274.2144677730498 2.926639152789499 3.269280227389055 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Lac-2 13C-B_5 4.233279555872056 347.7566456749445 5.450385576241988 2.275930618284445 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Lac-2 13C-B_5 4.220822156304468 96.04474931182148 1.770591548021626 1.944830847609198 06_B2_SI_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Lac-2 13C-B_5 4.232588225981548 180.3129877733474 3.125961909672906 2.009397382600301 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Lac-2 13C-B_5 4.228426998530568 255.529304522112 4.288872902258415 2.068905656396594 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Lac-2 13C-B_5 4.233282114015001 299.3652004428926 3.968101558165971 2.565818252792554 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Lac-2 13C-B_5 4.228586978487279 271.3479052160451 4.546610687761847 2.107868650554536 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Lac-2 13C-B_5 4.223385274508433 489.5979817279467 8.504757595011451 1.956252588245889 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Lac-2 13C-B_5 4.233320130496163 251.8281435867766 3.900358518328308 2.258429895197183 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Lac-2 13C-B_5 4.232422005724999 176.1589872014465 2.885194529783585 2.100436823888424 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Lac-2 13C-B_5 4.233534937658164 970.1911865105923 13.06717644667259 2.653542914710221 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Lac-2 13C-B_6 4.232068173904971 346.5088474311552 6.194931715891407 1.966355081485694 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Lac-2 13C-B_6 4.239480424998432 307.4331188772599 4.444795808494906 2.51822833967116 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Lac-2 13C-B_6 4.239414516261002 230.1828741586227 3.056111460144143 2.638981490175422 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Lac-2 13C-B_6 4.239238526877058 169.9272525208648 2.524300497928085 2.467637219665508 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Lac-2 13C-B_6 4.239401040439947 311.4991867093341 4.051664340989091 2.725736844288605 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Lac-2 13C-B_6 4.226897061994197 83.31166621906873 1.401764852597049 2.109108705131733 06_B2_SI_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Lac-2 13C-B_6 4.238711244046987 275.6995975226542 2.996714440745303 3.183346694477547 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Lac-2 13C-B_6 4.233445424100208 636.6665258608999 5.736161735352964 3.647293418372107 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Lac-2 13C-B_6 4.239343552725629 223.4413493394143 2.943140596907944 2.72194364840834 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Lac-2 13C-B_6 4.233621892187151 532.3693748575337 6.162554644025689 2.891847105263497 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Lac-2 13C-B_6 4.229488056864814 650.5988843111127 9.604976336534992 2.301782401677127 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Lac-2 13C-B_6 4.239718493938185 275.4845552615405 3.091975236612174 2.959930758048505 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Lac-2 13C-B_6 4.238847165934843 377.8326154445153 2.885258022595761 4.126935139165261 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Lac-2 13C-B_6 4.239952689244562 636.2717046670064 8.804935895368342 2.670126745574205 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Lac-2 13C-B_7 4.233678671785841 239.2922062780546 4.829316738760622 1.728915727829645 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Lac-2 13C-B_7 4.243257575430985 162.9445183160272 2.498253002737822 2.247149249514458 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Lac-2 13C-B_7 4.242682594964518 106.5484757019115 1.863550832475484 2.021171253238531 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Lac-2 13C-B_7 4.243358860384258 107.915891279342 2.006519831923865 1.914157806024891 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Lac-2 13C-B_7 4.232304909512901 96.11477427714618 1.452946888009247 2.308189030071945 06_B2_SI_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Lac-2 13C-B_7 4.239810224411855 200.7654869108041 3.271900413175064 2.328165129706628 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Lac-2 13C-B_7 4.243310118219386 109.0699188482577 1.583751278994903 2.455453270898238 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Lac-2 13C-B_7 4.239473671828684 396.8677410459774 5.32924930471582 2.665040863277742 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Lac-2 13C-B_7 4.234458135567545 1022.443836131949 12.04372331394592 2.918509449871884 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Lac-2 13C-B_7 4.243668892579502 366.9159397706223 5.078875796368814 2.39253541370641 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Lac-2 13C-B_8 4.239440061061616 370.2957422341964 5.221951261840549 2.740879868531198 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Lac-2 13C-B_8 4.238758181695295 119.5703356146389 1.370805846800922 3.040320449258444 06_B2_SI_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Lac-2 13C-B_8 4.243401547768904 108.7738717300306 1.848785351569347 2.00136446072383 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Lac-2 13C-B_8 4.24365421139155 169.4980321207071 2.936210951422078 2.01926450006044 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Lac-2 13C-B_8 4.240383273503642 640.6114047887502 8.318831762580276 2.981550427647387 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Lac-2 13C-B_9 4.243317661343995 154.9849025554811 2.84270147383978 1.867134881951612 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Lac-2 13C-B_9 4.25045147513006 20.40297879710833 0.3824715458699018 1.888175447494695 06_B2_SI_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Lac-2 13C-B_9 4.244551359293367 419.9846661582816 6.037530629998616 2.257248385312397 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Lac-2_1 4.086569702294907 390.1893156422411 9.185534952483016 1.534648325252075 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Lac-2_1 4.086447810553183 156.3546423698108 3.621971130554368 1.607394948844296 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Lac-2_1 4.086484175915218 110.609368176818 2.516389853230367 1.572558289284236 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Lac-2_1 4.08615377022042 192.5311070891219 4.296787520791799 1.648683739832063 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Lac-2_1 4.086600786305438 199.8551966921887 4.373875308805897 1.606284573350913 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Lac-2_1 4.085548961634557 37.36034491131198 0.7617475113114751 1.758435434874817 06_B2_SI_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Lac-2_1 4.085727630775127 159.2645580154505 3.588896003526037 1.586222903672675 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Lac-2_1 4.086790990322174 352.6372196223846 7.736592099015263 1.620274727565154 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Lac-2_1 4.086509102413795 190.365387787585 4.050812917714129 1.684893269456233 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Lac-2_1 4.086910075023395 296.6341401871327 6.474469480490955 1.606514315523398 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Lac-2_1 4.087768128945226 796.4215444106625 17.33220613117359 1.641817203213 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Lac-2_1 4.086439881835664 93.29366359935901 2.049200226560814 1.678492169355839 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Lac-2_1 4.085598166981365 124.6011282916934 2.781907863680913 1.631454013768902 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Lac-2_1 4.086743644323176 144.6436110121081 3.108804302113831 1.668139879420078 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Lac-2_1 4.085471880051252 7.666358869535381 0.2067164663622232 1.338753709927744 15_C1-20_SI_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Lac-2_2 4.098170512968558 1373.430878501274 28.25108796800699 1.63256310521415 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Lac-2_2 4.098045404621332 573.1960456689366 11.38864587452516 1.756151819982805 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Lac-2_2 4.098045193575451 325.9653839299541 7.444794306341277 1.535237169175463 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Lac-2_2 4.097662658436712 726.0823359436052 13.62260520370459 1.796349384364718 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Lac-2_2 4.098163129764113 638.8292115190915 12.58313895380594 1.681338517858978 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Lac-2_2 4.096969543097321 138.5512090938876 2.471782479800335 1.91119886157089 06_B2_SI_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Lac-2_2 4.097295393304085 474.8726988837787 10.64841737413811 1.563072637433506 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Lac-2_2 4.098383972550118 1074.664484133013 22.75821569918097 1.633537236180794 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Lac-2_2 4.098041211869143 612.0800550977536 11.41034727331324 1.815744803553517 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Lac-2_2 4.098559481900325 868.7418308306528 18.88891423121408 1.576786211742954 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Lac-2_2 4.099428683410687 2408.368171599193 50.54013134447929 1.627696967505358 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Lac-2_2 4.098034059956679 292.5600473521883 6.235480324861022 1.685165767405642 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Lac-2_2 4.097150163518378 352.9972308023941 7.951558508299048 1.563604912500071 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Lac-2_2 4.098428683410686 556.7446854026255 10.11574638205473 1.86008489568029 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Lac-2_2 4.097163480145668 38.11094679161001 0.8439712695364274 1.575625630762229 15_C1-20_SI_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Lac-2_3 4.109826196295579 1693.54677985317 31.86006276022933 1.730029199476801 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Lac-2_3 4.109902199649782 786.0876852317191 14.69437270035182 1.931404323665387 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Lac-2_3 4.109965166445952 708.7807956597479 10.68295742154626 2.237833227253899 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Lac-2_3 4.109509368507474 863.7623477435347 14.99566169938469 2.008810989310492 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Lac-2_3 4.109788616041495 596.2640685382866 13.30419095204157 1.556278346203407 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Lac-2_3 4.109007597639247 221.1507454808719 3.198729775621232 2.443802904119823 06_B2_SI_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Lac-2_3 4.109115032437999 918.0532840290354 14.64286448865906 2.100400692290097 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Lac-2_3 4.110086259053032 1892.629626530997 29.15996172994465 2.096192667254059 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Lac-2_3 4.109978376873388 1208.244213467958 16.54370523614629 2.482124552555594 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Lac-2_3 4.110324328031264 1594.849616389715 24.44165444269351 2.090219956378744 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Lac-2_3 4.11111026476402 3643.911569724989 63.73033245368082 1.895576829972281 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Lac-2_3 4.109992850897209 539.6528481309033 8.749548751905728 2.195563418653585 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Lac-2_3 4.10896908298121 661.0317931174543 10.31314631439243 2.141782379344023 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Lac-2_3 4.110415624569746 1322.359394740582 16.98070023248854 2.589841628713835 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Lac-2_3 4.108942875286012 67.26267918871388 0.9923043702329616 2.140389043649297 15_C1-20_SI_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Lac-2_4 4.121257797287351 691.5459234254187 12.66435048867794 1.885477399263778 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Lac-2_4 4.121123266426904 405.5071944869617 6.599344471714103 2.144019480632573 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Lac-2_4 4.121127836904782 224.2533434088062 4.145079080058379 1.912870493801449 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Lac-2_4 4.120832218360289 336.3554413711918 6.066610491678476 1.945683806242757 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Lac-2_4 4.121244314200804 375.327326548552 6.598979017481605 1.966344635405792 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Lac-2_4 4.120280681208335 97.82956162934185 1.578873574919078 2.228683977386118 06_B2_SI_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Lac-2_4 4.120325489465971 349.7188570484877 5.612795693140703 2.102535762053533 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Lac-2_4 4.121430005653499 786.18381830581 11.48625854937174 2.235204491414602 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Lac-2_4 4.121094934008291 393.702081638882 6.178369777111733 2.200713242804027 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Lac-2_4 4.121593533758169 562.1884026746444 9.314907606220174 2.042249843755956 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Lac-2_4 4.122468365307592 1320.8087460754 24.01789800009344 1.924004406899784 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Lac-2_4 4.121288698840528 245.7929321942605 3.931266391819865 2.199287648112771 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Lac-2_4 4.120252333505503 237.4398359739785 4.187058650601746 1.978774353652432 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Lac-2_4 4.121377833679211 966.09028237835 10.59290977178361 3.085036920258133 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Lac-2_4 4.120182919735734 28.918187384069 0.4495876995552926 2.206145594525949 15_C1-20_SI_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Lac-3_1 1.313734847366768 9722.132710244392 193.7953592974949 1.665164912237443 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Lac-3_1 1.313754377762148 4828.31757001022 88.7387550682581 1.859337379478145 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Lac-3_1 1.313750602927877 3201.508651470706 59.36207846634744 1.832706125869097 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Lac-3_1 1.313430801606111 4637.899236933968 89.53441324932206 1.780930264066275 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Lac-3_1 1.313821899085971 4079.867526994815 85.39829643672479 1.661014615559049 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Lac-3_1 1.312857281766485 958.2929713269007 17.26031011772805 1.933620236134239 06_B2_SI_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Lac-3_1 1.312926731825206 4463.126225852708 82.30751873783666 1.842667222066256 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Lac-3_1 1.313911439184662 8501.04985938509 168.1150662039438 1.755128540420726 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Lac-3_1 1.313705353220469 5245.721887255627 88.72256837601824 1.993836637316878 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Lac-3_1 1.314096046511575 6424.682612862376 135.6703004310895 1.650178367712289 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Lac-3_1 1.314757379230782 20227.54241397098 390.1718388725124 1.761710125296625 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Lac-3_1 1.313770452687271 3123.042022548922 53.08342715539587 2.00463555214976 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Lac-3_1 1.31284132628413 3429.319998384211 63.20312287741632 1.795613033517792 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Lac-3_1 1.313942240875442 5655.658163618897 100.1357713402732 1.911073992848531 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Lac-3_1 1.31303453553199 321.0227749079381 6.121766210891481 1.806543387787899 15_C1-20_SI_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Lac-3_2 1.325261570081311 9115.018932967063 191.5744129975975 1.616841031350933 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Lac-3_2 1.325221642664275 4691.3554155884 89.0923256330017 1.829231836714981 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Lac-3_2 1.325279615883601 3097.18432576748 59.2380948525846 1.776696391595041 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Lac-3_2 1.324914437039616 4545.707105891126 90.43647391300848 1.738985798368044 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Lac-3_2 1.325325687718007 3997.813996543968 87.37612528093462 1.603215399924301 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Lac-3_2 1.324305862071445 939.6905673204061 18.14786554500835 1.820168154285503 06_B2_SI_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Lac-3_2 1.324457742047857 4432.437089214065 80.67485569647094 1.839760533221747 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Lac-3_2 1.325466764055997 9318.347428685185 168.5971680142732 1.841136813023518 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Lac-3_2 1.325230106770174 5091.422691015615 87.89634766951274 1.918349408471559 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Lac-3_2 1.325666232618238 7234.087605520297 140.3394696249094 1.727696165700484 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Lac-3_2 1.326337445206566 19568.29130226635 395.6712210692262 1.703704731031643 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Lac-3_2 1.325229968244438 3094.107465909243 54.06239836434991 1.965893738829849 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Lac-3_2 1.320374158502882 105.7269161393272 2.379983064175216 1.586047111625083 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Lac-3_2 1.325339019424205 5519.993748071312 100.1748765261464 1.893623753639861 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Lac-3_2 1.324500152780703 318.5952137675939 6.336059376096946 1.754490294451458 15_C1-20_SI_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Lac-3_3 1.324390796464079 3128.43616073973 63.04856332571283 1.736048998489135 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Lac13C-A_1 1.197236283375957 750.2306601369282 15.07943394848723 1.733722634132971 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Lac13C-A_1 1.197239245960581 925.9349030822885 14.59244229493521 2.110728203913883 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Lac13C-A_1 1.197198171487538 470.0749095891664 9.692148779190914 1.711360678013407 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Lac13C-A_1 1.19678437409131 178.7691628983203 3.840783428187737 1.662144507301447 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Lac13C-A_1 1.197285675032019 764.8516120334256 14.50541355792028 1.818812319135371 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Lac13C-A_1 1.196325916569627 208.5186636840145 3.831256649691579 1.91119886157089 06_B2_SI_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Lac13C-A_1 1.196400625679904 548.952706682781 10.76984319297281 1.793050273818338 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Lac13C-A_1 1.197357770129128 861.8892255930547 13.90185976508283 2.099560078110565 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Lac13C-A_1 1.197117894924452 648.7481120284558 10.9838173296585 2.060885040446015 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Lac13C-A_1 1.197526915110422 706.3219785566187 12.86729240172072 1.902344867198678 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Lac13C-A_1 1.198226547065804 1483.474313950028 25.31911154846119 2.00558549321129 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Lac13C-A_1 1.197266308915801 1167.613649747256 14.254847816629 2.52036949340358 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Lac13C-A_1 1.196352077469168 546.5804096017089 9.429500951582163 1.978774353652432 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Lac13C-A_1 1.19741460505798 1680.36892275468 29.42149977853184 1.948397782120854 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Lac13C-A_1 1.196468758951388 56.46698782697337 1.12373621142881 1.783193997874823 15_C1-20_SI_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Lac13C-A_2 1.201093513385614 470.5690263745071 6.589683884128599 2.426643658045508 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Lac13C-A_2 1.204220371093608 2100.528673738289 32.18159594081082 2.253231262687291 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Lac13C-A_2 1.200721987061315 533.015958662502 3.786033994047592 4.436786789222031 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Lac13C-A_2 1.200699581832004 565.8217359717248 4.236991834029084 4.207703765071606 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Lac13C-A_2 1.201138382090071 291.9529934498895 5.545634703454583 1.940945050977541 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Lac13C-A_2 1.203307571599114 577.9148744151288 8.78910236404324 2.27136850340904 06_B2_SI_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Lac13C-A_2 1.200264463521682 390.8859343872633 6.077258340638676 2.220567388758286 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Lac13C-A_2 1.201121644835256 200.8646060614908 4.584860244909037 1.585786136470301 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Lac13C-A_2 1.200958811895611 491.9067803626177 6.827500609197644 2.434219539357616 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Lac13C-A_2 1.201330072113547 265.0292466763761 5.666209104907161 1.711264278299114 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Lac13C-A_2 1.20193951031313 665.7499619786042 11.68812649527296 1.996785730729485 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Lac13C-A_2 1.20427754458439 1659.480059953419 27.25405636884865 2.147138610923167 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Lac13C-A_2 1.203437076270381 1199.926045819738 19.73731053698993 2.121277412425839 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Lac13C-A_2 1.204431131897028 3655.308873379249 59.5251664483046 2.113483854183676 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Lac13C-A_2 1.203666515642564 139.2876560540513 2.416524371646108 2.011186809349661 15_C1-20_SI_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Lac13C-A_3 1.204398255568262 1860.526961342814 32.62635780945868 1.99461167505684 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Lac13C-A_3 1.208769184744856 797.0295851550917 14.46755948436146 1.914477911379494 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Lac13C-A_3 1.204373098266675 1316.054802733715 22.26510922918857 2.062434219324845 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Lac13C-A_3 1.204014030756417 768.4499409064484 11.09196975366061 2.39032097558068 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Lac13C-A_3 1.204437076270381 1969.684051596837 32.05352378321354 2.108847694179199 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Lac13C-A_3 1.207782787451426 199.099943825098 3.74630750074036 1.86154709152825 06_B2_SI_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Lac13C-A_3 1.20360152443209 1572.380782078358 25.388655743996 2.158901624987405 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Lac13C-A_3 1.204662008191549 1885.546598960846 28.98214924223364 2.259591841819623 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Lac13C-A_3 1.20433664534853 2016.241931990691 26.27570742248166 2.606900582010559 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Lac13C-A_3 1.204828907454442 1723.384804691849 27.4754943788885 2.187350984745492 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Lac13C-A_3 1.205452269127296 4030.488104202961 57.43305922149125 2.397864739423376 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Lac13C-A_3 1.20874750780063 867.8648145655294 13.80790721002603 2.137420657825751 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Lac13C-A_3 1.207820875666304 532.9231877237339 9.754421669552462 1.902562726770613 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Lac13C-A_3 1.208965587690706 1781.129603600627 31.69458055706282 1.960836916079671 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Lac13C-A_3 1.20798337995355 55.90916245722573 1.096621340060446 1.79577132178879 15_C1-20_SI_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Lac13C-A_4 1.20872374877139 792.5495224775245 16.38900759965255 1.720131659119779 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Lac13C-A_4 1.211599740355423 959.3594041351231 15.71306543777754 2.134761278898631 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Lac13C-A_4 1.208720039266802 541.9762335682319 10.70740833832522 1.77265022808086 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Lac13C-A_4 1.208292823694754 188.2862760077932 4.220177839120793 1.604671259405954 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Lac13C-A_4 1.208776988896912 646.3810299133595 14.23633452411003 1.627859849398612 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Lac13C-A_4 1.210576834125736 293.3266372562022 4.443180344071914 2.299304543636727 06_B2_SI_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Lac13C-A_4 1.207840088531553 516.5134892750157 11.1347800526577 1.679873157183467 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Lac13C-A_4 1.208835987953895 886.6443530910088 16.17687672158546 1.917110305768863 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Lac13C-A_4 1.208644285328264 450.6961190726017 9.846378817970038 1.68716738788746 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Lac13C-A_4 1.209018072749022 667.6392322014256 13.24882532289919 1.759841808425271 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Lac13C-A_4 1.209752214572047 1380.595599430815 26.6200830814178 1.813299361592781 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Lac13C-A_4 1.211537924192822 913.3045774780973 13.94370149959429 2.23551826498383 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Lac13C-A_4 1.210655649428574 596.013162266415 9.921727256035537 2.096039814456289 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Lac13C-A_4 1.211698796950245 1552.032288331142 28.75412638327345 1.904213054540137 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Lac13C-A_4 1.210706234289599 73.84097779621759 1.187209793012369 2.126888363908666 15_C1-20_SI_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Lac13C-A_5 1.21160510528148 1172.365251815508 18.53560582170192 2.156438913853746 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Lac13C-A_5 1.21587163265647 1729.808840048527 29.1060720228878 2.068291934317001 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Lac13C-A_5 1.211499820037747 747.2831144776271 12.32363001659384 2.115813964501186 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Lac13C-A_5 1.211240187867698 586.0472707404311 7.262375540753412 2.794686797627312 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Lac13C-A_5 1.211626647594991 1102.064555966678 17.13388196688217 2.185740073216671 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Lac13C-A_5 1.214951268145706 538.6428614881714 8.417892928268886 2.196204979117704 06_B2_SI_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Lac13C-A_5 1.210817082005868 1111.457509724675 15.00279655944881 2.500096370441263 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Lac13C-A_5 1.211859723400851 901.5405992454857 15.30778299312268 2.113026729978074 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Lac13C-A_5 1.211539089436589 1020.395928584462 14.22134610277451 2.485418450975536 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Lac13C-A_5 1.211996230688595 1017.587332343925 15.28771179714036 2.287744264041545 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Lac13C-A_5 1.212683057038024 1758.810317518557 29.19725013417414 2.152726590989749 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Lac13C-A_5 1.215920950873572 1609.63979577287 26.31412297122342 2.147138610923167 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Lac13C-A_5 1.215066442921287 1181.056259986226 18.98561834489182 2.137921334363438 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Lac13C-A_5 1.216058793429747 3343.967467500748 57.45824971515252 2.046551386469363 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Lac13C-A_5 1.215224678945486 120.016777898142 2.188917931932647 1.921074089784249 15_C1-20_SI_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Lac13C-A_6 1.215977714373223 1684.637600078468 30.71846827989178 1.925063268825128 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Lac13C-A_6 1.222948833638679 603.1797579405858 12.75179336601369 1.758513143595222 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Lac13C-A_6 1.21595707402097 1348.432221017124 22.53162603185722 2.068969255081795 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Lac13C-A_6 1.215565588853738 878.0431639361038 11.32159812375357 2.573538726392816 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Lac13C-A_6 1.216040270886554 1809.456280259203 29.40944362963831 2.083927246249752 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Lac13C-A_6 1.222037345448107 207.9775691760891 3.763165800013629 1.934091665390578 06_B2_SI_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Lac13C-A_6 1.21519857935959 1392.579902071689 23.43760771168054 2.080609006088068 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Lac13C-A_6 1.216268711533052 1955.682947148941 28.88675304374188 2.300631017160219 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Lac13C-A_6 1.215960086306854 1839.741839671515 23.53394180363927 2.588937690744331 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Lac13C-A_6 1.216425131676112 1649.70079215085 26.31586612354628 2.187350984745492 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Lac13C-A_6 1.217073351498739 3541.194599096549 52.98339923168208 2.271209655788483 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Lac13C-A_6 1.222940778969008 723.7759222046451 13.03932149100623 1.966860269186597 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Lac13C-A_6 1.22206281404318 516.0841486840252 9.123422972683827 1.943283827780385 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Lac13C-A_6 1.223131070845856 1535.315700766317 28.6670907967693 1.868723429391415 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Lac13C-A_6 1.222190027000151 58.49668107953008 1.115562524156691 1.838441998073705 15_C1-20_SI_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Lac13C-A_7 1.220032687729929 106.429487133208 2.443520396788023 1.519766832500235 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Lac13C-A_7 1.222961237228808 572.7627552329465 10.79432480639648 1.883828817551773 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Lac13C-A_7 1.222619994833435 250.1650329059643 4.564290466666624 1.912424471615564 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Lac13C-A_7 1.223042623202716 712.2576791279207 13.95973071718027 1.766577050961271 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Lac13C-A_7 1.219108430195149 86.37208039466302 2.441750284649665 1.342137261398082 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Lac13C-A_7 1.220148289965317 139.181787090799 3.573232073305802 1.382697510135669 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Lac13C-A_7 1.222948308599655 562.9272603338802 9.912687885367276 1.98255110917583 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Lac13C-A_7 1.220272548849987 121.1726255562683 3.25393731029442 1.346182450389275 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Lac13C-A_7 1.221072450448004 191.2343625357643 4.792193689509906 1.392395243294653 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Lac13C-A_8 1.223015242535065 684.9237082214386 14.28065329586676 1.675196297673837 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Lac13C-A_8 1.222141591316105 578.7048505496564 10.75252124005013 1.865631637928225 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Lac13C-A_8 1.223182792133059 698.2256167915424 12.42814926059368 1.923791293440994 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Lac13C-A_8 1.223371331059107 663.3486619908123 11.80120646078865 1.901088780325071 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Lac13C-A_8 1.224034115684957 1145.63196464673 22.43585621038153 1.790848997133221 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Lac13C-B_1 1.410390301176718 721.9009174008424 13.5745878625777 1.78350940128549 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Lac13C-B_1 1.410318447754262 786.635896386984 13.86022205170333 1.952575671475898 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Lac13C-B_1 1.410361989870941 526.0216548803224 10.16581607230408 1.813149083168902 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Lac13C-B_1 1.409973439841813 185.9948092502835 3.932922386342046 1.695555624865741 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Lac13C-B_1 1.410429469362798 599.5706278311839 12.72128711330753 1.657184749295571 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Lac13C-B_1 1.409409296507815 186.3579864647754 3.70560592181953 1.807565297119025 06_B2_SI_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Lac13C-B_1 1.409542718652649 509.8067970223266 10.21573243872407 1.781135538640396 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Lac13C-B_1 1.410514270796566 558.531111543687 11.20264559511548 1.755541107391643 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Lac13C-B_1 1.410320689492327 502.9951072887405 9.572999496262254 1.876927146332231 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Lac13C-B_1 1.410757515311262 560.2030132391737 10.93734756910769 1.782353363181472 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Lac13C-B_1 1.411375901923025 1219.806250111862 22.17165657661717 1.892865281707146 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Lac13C-B_1 1.410339488631073 731.675006029829 12.77357815511117 1.99864937295822 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Lac13C-B_1 1.409485822207115 487.9942835805454 8.727885107707062 1.924665452920783 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Lac13C-B_1 1.410469282660014 1469.138854920924 27.48930556649635 1.864790454318442 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Lac13C-B_1 1.409627493775909 66.12862130206236 1.19965240272548 1.909954075607279 15_C1-20_SI_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Lac13C-B_2 1.417532009886251 1543.022391904054 28.83723273484326 1.87230391072455 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Lac13C-B_2 1.417466896905061 1592.916506305277 27.68606324905482 2.023018172575564 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Lac13C-B_2 1.417496450487726 1235.372914165491 20.99312409376379 2.049281897377096 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Lac13C-B_2 1.417202633066263 442.7084505878383 8.326965757503155 1.918922604222478 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Lac13C-B_2 1.417565210142559 1694.728413769708 28.16586767263852 2.044674716308756 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Lac13C-B_2 1.416534068092541 413.0926523218012 7.260746239933486 2.0029009178088 06_B2_SI_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Lac13C-B_2 1.413184077756071 123.6383561156518 2.630569787365962 1.673241060499427 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Lac13C-B_2 1.414149182124173 120.9594662978634 3.208998032153835 1.361201648593334 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Lac13C-B_2 1.413862128180512 107.8968607532432 2.047894564598657 1.818076083429347 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Lac13C-B_2 1.414371356550388 117.2422763590183 3.013004946944008 1.426309057216059 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Lac13C-B_2 1.414980581713872 171.0770789868004 4.2337895031117 1.409916931572762 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Lac13C-B_2 1.417461513341528 1584.172531731196 25.62100981138123 2.147138610923167 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Lac13C-B_2 1.416610843971776 1105.234976771639 18.03818135260855 2.110660014964714 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Lac13C-B_2 1.417591806661527 3072.514081667623 55.46836180297812 1.95123227534087 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Lac13C-B_2 1.416731158131263 134.6790855482619 2.260877159476004 2.063577148557656 15_C1-20_SI_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Lac13C-B_3 1.421888120662135 736.166042287635 14.83519822756262 1.728817499237631 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Lac13C-B_3 1.421875886442704 774.5235269047779 14.30957053322353 1.901311441338491 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Lac13C-B_3 1.421880501975112 534.4838494059535 10.55728052195112 1.77396125720443 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Lac13C-B_3 1.421415040042908 241.2615816383425 4.441272056452885 1.863509458227315 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Lac13C-B_3 1.421903543318572 690.9759319402683 14.22484535136596 1.708768524898487 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Lac13C-B_3 1.420915343856952 177.6897430227017 3.578509361379667 1.768695802797482 06_B2_SI_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Lac13C-B_3 1.416747194331697 1306.397959919331 22.41030234597144 2.044335470433433 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Lac13C-B_3 1.41777824053182 1523.444873327893 25.83244021160809 2.06884404726848 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Lac13C-B_3 1.417526060657143 1293.789447487836 20.80239534365004 2.170107361745721 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Lac13C-B_3 1.417970385192578 1488.113780428511 24.629792248363 2.116426847038642 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Lac13C-B_3 1.418632390914301 2876.208118535549 48.28285288532991 2.08103924200151 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Lac13C-B_3 1.421900917820526 693.7817873210321 12.6368638174356 1.946109540504765 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Lac13C-B_3 1.420965829425776 455.9712083888987 9.082343197460975 1.791186679034545 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Lac13C-B_3 1.422059940098486 1576.386153879268 28.8853455017972 1.915087151561027 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Lac13C-B_3 1.421168219266071 55.38554234425825 1.102877164184823 1.809335696795828 15_C1-20_SI_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Lac13C-B_4 1.424687449317924 751.191561308362 14.1047967586812 1.833193823476899 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Lac13C-B_4 1.424634635005313 807.4606623989088 13.82584694405988 2.022031305141035 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Lac13C-B_4 1.424594241651661 576.9586321849303 10.41307101019076 1.933289119960892 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Lac13C-B_4 1.42422365970897 194.627712397165 3.666524424422837 1.854606351694101 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Lac13C-B_4 1.424705998616094 737.3935451823311 13.75721040971358 1.869546899459391 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Lac13C-B_4 1.423629496344216 209.5180155911867 3.643874305922328 2.034994402259181 06_B2_SI_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Lac13C-B_4 1.421000726554295 627.4028745155792 11.95685425257612 1.841627135902302 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Lac13C-B_4 1.421933122090842 759.9190422640886 13.64432149298053 1.906907180031296 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Lac13C-B_4 1.421770189527314 594.3184749995245 10.67228356364359 1.954688741032963 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Lac13C-B_4 1.422166883161045 729.5150524346175 13.58782864918879 1.855977695290463 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Lac13C-B_4 1.422835984773547 1298.859586423271 24.76780808668071 1.823671673538019 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Lac13C-B_4 1.424606949347168 765.4271227546318 12.63635873428092 2.095634908771644 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Lac13C-B_4 1.423741669694601 507.2313843331036 9.029389810943696 1.979262642532283 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Lac13C-B_4 1.424773517468839 1550.393548344834 27.07080244275809 1.965492779804757 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Lac13C-B_4 1.423829976599732 60.39616967559669 1.115580137806151 1.898131483885524 15_C1-20_SI_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Lac13C-B_5 1.429131151561731 1389.640720607557 27.90693020045383 1.779068344234895 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Lac13C-B_5 1.429072687056584 1521.948466330593 27.75298249912445 1.951910489151518 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Lac13C-B_5 1.429095397383971 1242.977475504625 21.11357194692665 2.04138045786239 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Lac13C-B_5 1.428811480951468 522.7533628689953 8.617038895002517 2.0828090297855 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Lac13C-B_5 1.429183017108671 1609.986366956759 28.00325581397069 1.975652907782149 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Lac13C-B_5 1.428144593167979 408.433575701457 7.234526258925794 1.98761565043672 06_B2_SI_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Lac13C-B_5 1.423880373451535 652.8159413553662 11.24171190200422 2.026232426797068 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Lac13C-B_5 1.4249415832856 710.9456244800017 12.29314775447665 2.02017667164243 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Lac13C-B_5 1.424615536822659 622.4650307629041 10.33216135056566 2.10278583900786 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Lac13C-B_5 1.425110200408034 657.2641099950972 12.1702262419015 1.940829818651136 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Lac13C-B_5 1.425743539179921 1352.394676218136 23.44661790563087 2.016776284130313 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Lac13C-B_5 1.429059197130692 1452.084040288547 24.98463612631613 2.05357512741808 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Lac13C-B_5 1.428208441354357 1028.731206262565 17.88577025777058 2.006897665106351 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Lac13C-B_5 1.429204069225272 2924.607763124252 53.98303340830088 1.928972543270655 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Lac13C-B_5 1.428329347740029 126.7854107683466 2.167974175669702 2.040544821765781 15_C1-20_SI_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Lac13C-B_6 1.433052237778984 67.82080568913544 1.944937722362371 1.323067634225917 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Lac13C-B_6 1.436054185979611 680.8542790834343 13.08380754541245 1.842928448947686 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Lac13C-B_6 1.436106688137211 520.9344391247676 10.34316185417095 1.783228187208563 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Lac13C-B_6 1.435722481672257 179.3819206114559 3.73113096279897 1.678790896101477 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Lac13C-B_6 1.433202889020816 90.56079672326453 2.2517092924891 1.403326983310725 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Lac13C-B_6 1.435139194928775 178.3735473727117 3.507540773804661 1.823283975053594 06_B2_SI_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Lac13C-B_6 1.428346572271608 1338.512445433848 22.44447248839464 2.080609006088068 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Lac13C-B_6 1.429389433686155 1514.755454052046 25.73965439345506 2.062957448597467 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Lac13C-B_6 1.429138278783714 1410.126619576567 21.21574792782397 2.258639997653038 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Lac13C-B_6 1.42957359820839 1588.612393882695 25.2303505189375 2.164441589213713 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Lac13C-B_6 1.430237965264828 2679.091445599298 47.3518960758085 2.000318033387811 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Lac13C-B_6 1.43606391377741 689.4578497104034 12.33068969942043 1.950973242219585 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Lac13C-B_6 1.435203587095732 458.6542018726063 8.59778122364304 1.861358161914178 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Lac13C-B_6 1.43621763740503 1356.390196826603 26.3982243778704 1.792837335723711 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Lac13C-B_6 1.43531028684619 56.77704379162363 1.105594817310098 1.788554832968189 15_C1-20_SI_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Lac13C-B_7 1.436116388542761 615.5922719051081 13.30090132768587 1.614890385233889 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Lac13C-B_7 1.436175389740782 595.3031635471416 12.95115642544829 1.631404017322094 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Lac13C-B_7 1.432312048515614 83.60625099948426 2.42008317673345 1.356626152188642 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Lac13C-B_7 1.433167411698471 129.4527551227163 3.52159605178404 1.350062492040855 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Lac13C-B_7 1.436047933753207 485.5230916100431 9.115821509178657 1.923791293440994 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Lac13C-B_7 1.433433480204708 124.8751057338374 3.158900987290219 1.416370790339507 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Lac13C-B_7 1.434049436974203 168.2265954000045 4.863447199616526 1.304260990263278 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Lac13C-B_8 1.435261805229364 486.0551756328763 10.01330069138809 1.746949169157112 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Lac13C-B_8 1.436263301275584 590.4030364879912 11.08057087694813 1.820217742708325 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Lac13C-B_8 1.436478845542066 539.9513238925236 10.76146263039975 1.745127829655158 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Lac13C-B_8 1.437156527683085 1060.820327621014 20.72550399069046 1.780784351626609 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Me-His A_1 7.089939834288212 212.4231739420365 2.116935777036329 3.860034921166235 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Me-His A_1 7.089963893954205 161.9699391786448 1.755473289234313 3.480393762746913 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Me-His A_1 7.091567626182711 72.59498485083395 0.6947348823956683 3.550869929636115 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Me-His A_1 7.090799036391305 144.9961705380281 1.418214992318722 3.598751764651654 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Me-His A_1 7.090846933415413 129.9234722426009 1.237188523687961 3.821156794411823 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Me-His A_1 7.091455595319817 45.61784871189058 0.4857875214266619 3.122650784136213 06_B2_SI_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Me-His A_1 7.0917063870214 61.71277844629827 0.6654547373802324 3.668685168712458 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Me-His A_1 7.090306243634464 135.1279835634877 1.245138585013156 3.786679652634318 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Me-His A_1 7.091983414447287 108.4118979252511 1.016266396713404 4.03692561138061 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Me-His A_1 7.09138751119367 125.6431666928347 1.148475953133487 3.754884631252968 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Me-His A_1 7.093549142162219 230.0584766478427 2.5689468927169 3.406360186193802 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Me-His A_1 7.090679467563476 129.9429025035347 1.217940453363204 3.837952343027216 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Me-His A_1 7.091575483371282 85.54584226075066 0.9089243724146415 3.659965213494323 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Me-His A_1 7.090812851966319 227.6562231725888 2.496729577432454 3.503763652991045 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Me-His A_1 7.092676454352882 8.922207370511712 0.1708792956581955 1.821855084843809 15_C1-20_SI_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Me-His B_1 7.895755698490533 96.12089112236094 1.591302222082701 2.156110687851164 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Me-His B_1 7.89603278597326 116.4023626829783 1.474287548116397 3.219968358380398 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Me-His B_1 7.900327879214353 31.74210698167882 0.5261009635138477 2.841220158018341 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Me-His B_1 7.898454114723847 75.90154606871268 1.217091891683982 2.916598402248297 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Me-His B_1 7.898280332315861 57.72502100616943 0.9960749280190845 2.753309831965705 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Me-His B_1 7.901767478593135 29.11562399994664 0.4382652590795316 2.850593653132973 06_B2_SI_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Me-His B_1 7.902459603828411 36.47688637886164 0.6149429358426945 2.547724311396115 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Me-His B_1 7.896701687589094 62.62717891767265 1.081611255369928 2.759824007427321 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Me-His B_1 7.901932194001383 50.27645854469496 0.806652905468377 2.841886707472278 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Me-His B_1 7.898671147452576 41.06011577045518 0.7469752747719962 2.547442407176221 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Me-His B_1 7.902927390635755 99.53863373979478 1.674993847012231 2.106495933269048 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Me-His B_1 7.89800525937155 83.06452879526103 1.179758602173655 2.945398602883261 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Me-His B_1 7.901238550641611 34.47642089227659 0.6662673920271891 2.466399094155121 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Me-His B_1 7.898725427434948 141.7803997739243 2.357275761959304 2.759273315897236 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Me-His B_1 7.901628124161635 3.071459262060756 0.08186357123106723 1.309136810009534 15_C1-20_SI_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Me-His B_2 7.897698991230917 43.74545455131614 1.032555925378815 1.514961960110456 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Me-His B_2 7.905022378007435 50.9552556016869 1.170694741786252 1.518714985106342 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Met-CH3_1 2.122695599146494 468.2640577164743 10.04486964407278 1.593634340916408 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Met-CH3_1 2.122734270341609 513.9072162749771 9.533527611090616 1.876710313106785 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Met-CH3_1 2.122962535171453 222.0366024345409 3.237546635727908 2.21781400857918 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Met-CH3_1 2.122479275804786 286.4055647478631 5.792588213017979 1.712416640519862 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Met-CH3_1 2.122830849474173 232.7330311442973 5.193655343674011 1.557932282960496 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Met-CH3_1 2.12211 109.790037 2.02284 1.911199 06_B2_SI_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Met-CH3_1 2.125171903215235 297.9111034328099 3.905935925818473 2.615764450938707 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Met-CH3_1 2.1259788912632 615.0343836699304 9.504607345385281 2.296097116084222 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Met-CH3_1 2.125915588241639 205.4565802188763 3.236169044396747 2.276527288162252 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Met-CH3_1 2.126280763659957 491.7386858338788 7.74628218414276 2.259832296408565 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Met-CH3_1 2.123366214920754 905.3053807506392 19.93743035519712 1.597323404605524 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Met-CH3_1 2.122819252824233 355.1824372729851 6.357404472504835 1.920204562567102 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Met-CH3_1 2.1250713098273 266.7013309372129 3.778988426729203 2.455144209910802 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Met-CH3_1 2.122685500007671 715.7904981827609 13.10187141659782 1.856520916217716 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Met-CH3_1 2.122371601216435 13.97213466115012 0.311573225194715 1.587367037352043 15_C1-20_SI_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A NAD+-A1'_1 6.016078370014666 56.33801269541539 0.9732650482555287 2.032998364157557 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A NAD+-A1'_1 6.016360212220324 43.48168699009399 0.7827435167478228 2.048040181203231 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A NAD+-A1'_1 6.016977345474273 45.13711793207874 0.7857486549852053 2.026190025223504 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A NAD+-A1'_1 6.016569111612183 30.78526402998076 0.5143189530747274 2.15126583908255 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A NAD+-A1'_1 6.016590472482878 65.99084931212923 1.293534201211733 1.873869940178943 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A NAD+-A1'_1 6.01669917670056 4.442277468347705 0.1374853206133868 1.314458449202277 06_B2_SI_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A NAD+-A1'_1 6.015919846191769 65.26128876214472 1.085235403649097 2.13290571950212 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A NAD+-A1'_1 6.015894468809684 90.21496142627232 1.577145388354418 2.050847800105274 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A NAD+-A1'_1 6.016692570321529 37.08178214031455 0.6375440565916416 2.14454777860572 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A NAD+-A1'_1 6.016472908670671 62.95840544481126 1.078532238755294 2.063954987037443 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A NAD+-A1'_1 6.015120172726431 116.0806800876513 2.210944221914882 1.92706793995074 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A NAD+-A1'_1 6.01671752068722 32.82496786571433 0.5023750211792808 2.334995382322038 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A NAD+-A1'_1 6.015865164703033 26.92308551849882 0.5010618143245857 1.938494603021052 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A NAD+-A1'_1 6.015294083347416 45.69204400484092 0.7980850648648995 2.024531847515081 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A NAD+-A1'_2 6.026182218605766 52.2463573080377 0.9831947280618101 1.922796553689715 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A NAD+-A1'_2 6.026526208157235 38.90940498371786 0.7073813307619674 2.027928144083099 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A NAD+-A1'_2 6.027004660886825 34.40431379052983 0.6755920145089256 1.901883367574547 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A NAD+-A1'_2 6.026511123563405 22.43723601850333 0.4586696871895291 1.883600330429809 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A NAD+-A1'_2 6.026651244560518 59.43134806266406 1.20057805443753 1.901004858256749 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A NAD+-A1'_2 6.026471444242464 1.166234119763996 0.05658132915274193 0.9829620586852477 06_B2_SI_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A NAD+-A1'_2 6.025917094797438 36.36916697435097 0.7666589451529413 1.817569200358527 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A NAD+-A1'_2 6.026042403716154 73.31095389321615 1.395059252145816 1.993889182166558 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A NAD+-A1'_2 6.026707779065442 27.15418375823706 0.499462424067586 1.984161061558728 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A NAD+-A1'_2 6.026578349100422 49.91370534265219 0.9066415139650733 1.973834809806275 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A NAD+-A1'_2 6.025235279951047 95.60222217880856 1.934653890754218 1.874949204521234 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A NAD+-A1'_2 6.026762282758296 24.90341302308623 0.4402839993201613 2.027928144083099 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A NAD+-A1'_2 6.025964440052481 17.14310526767605 0.3567261070946944 1.892985883302219 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A NAD+-A1'_2 6.025424025869899 38.55608843387463 0.7067999775924969 2.03241808926103 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A NAD+-N1' 13C-B_1 6.227134806405466 96.53237148413827 0.5360701140104804 7.251975460115603 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A NAD+-N1' 13C-B_1 6.227940495982354 98.79512374166245 0.6471314387656101 6.99687495956548 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A NAD+-N1' 13C-B_1 6.229907889740203 66.6699707177859 0.364597408208501 6.488353164122739 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A NAD+-N1' 13C-B_1 6.228217905283294 68.88641072479173 0.2877769854726604 8.914474597605487 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A NAD+-N1' 13C-B_1 6.230016299949091 190.9494303332797 0.5908328710777836 13.02129108051122 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A NAD+-N1' 13C-B_1 6.227402551935708 197.5134089964976 0.746392282881785 8.596426167492991 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A NAD+-N1' 13C-B_1 6.22981029958012 125.447189523787 0.3983083478920943 12.61049442389043 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A NAD+-N1' 13C-B_1 6.228967574128526 98.1211415088952 0.7474220745538995 5.838535622625681 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A NAD+-N1' 13C-B_1 6.226519312110102 250.4044137613694 1.710448621328311 6.662120177482715 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A NAD+-N1' 13C-B_1 6.229220081183873 93.39597567887006 0.4010392185238266 7.617880228788263 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A NAD+-N1' 13C-B_1 6.228324900282181 348.9334710635762 1.069828229391772 12.6683588023076 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A NAD+-N1' 13C-B_2 6.236536140495155 27.53301916974892 0.3766547210472709 3.486067964073478 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A NAD+-N1' 13C-B_2 6.237514448193564 32.63600775767868 0.4791967131632315 3.247937046131147 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A NAD+-N1' 13C-B_2 6.23884460076562 12.36263392756873 0.2002983002733726 2.717017480763553 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A NAD+-N1' 13C-B_2 6.237704738788221 12.7686029822563 0.1692832191342755 3.597112955608712 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A NAD+-N1' 13C-B_2 6.237236714505689 48.33244019415945 0.6034911884921098 3.689378968826989 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A NAD+-N1' 13C-B_2 6.23585775435063 109.6502123034143 1.364139428641361 3.69102644932257 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A NAD+-N1'_1 6.065132082554825 64.23864515173045 0.7656953890291655 3.006395568974904 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A NAD+-N1'_1 6.065060043041599 15.64526157640611 0.327255667207107 1.992247289385186 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A NAD+-N1'_1 6.065509314567432 32.87911289043473 0.3858485179640876 3.434829530505733 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A NAD+-N1'_1 6.065183488378667 28.76976182841976 0.3997142482316879 2.614802423630971 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A NAD+-N1'_1 6.065312635306181 55.77122567805509 0.6788686585410931 3.311512229209131 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A NAD+-N1'_1 6.060079031409369 3.42321852036146 0.07643301609134388 2.135896618247672 06_B2_SI_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A NAD+-N1'_1 6.06422515408618 38.81753756600705 0.5091251157999327 2.660323320461499 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A NAD+-N1'_1 6.064750048523035 97.36854484650206 1.026342812129462 3.503838415909887 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A NAD+-N1'_1 6.065178956536351 42.7762364251169 0.4371828728366652 3.199000747274801 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A NAD+-N1'_1 6.066034296180596 19.54463162684536 0.497699957491621 1.370221718975067 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A NAD+-N1'_1 6.066758441219144 130.8498601808606 1.556229045219077 3.277100442009934 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A NAD+-N1'_1 6.065019902442616 33.76291663225272 0.3717325798319561 3.661097238145109 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A NAD+-N1'_1 6.064414734569089 38.49247691011176 0.3299145586939939 4.071039709120245 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A NAD+-N1'_1 6.065347793754528 127.1607697531462 1.108922232493824 4.435008039828251 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A NAD+-N1'_2 6.074210382009801 66.11001137410685 0.7721334216180167 3.052567090191011 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A NAD+-N1'_2 6.074503887273186 42.07915409658993 0.4058543222102045 3.705693313240549 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A NAD+-N1'_2 6.073990685764939 39.42138760478581 0.4139382619448144 3.569833541778207 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A NAD+-N1'_2 6.074376378567788 38.29724717931256 0.3916359038407195 3.840455530440935 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A NAD+-N1'_2 6.074314634217956 51.75214381200521 0.6107853689412198 3.139739291703903 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A NAD+-N1'_2 6.071100123116027 5.396602795741534 0.09770885298416879 2.423316187130017 06_B2_SI_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A NAD+-N1'_2 6.073247240093829 43.87064550322115 0.4465333731795326 3.428080905480201 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A NAD+-N1'_2 6.074060870453218 81.85089285971179 1.083586792129523 2.704560962363545 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A NAD+-N1'_2 6.074414942991084 35.46796066875267 0.3972315665382206 3.126577185391308 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A NAD+-N1'_2 6.074907323391852 41.05538850180226 0.523931604320759 2.73417640423295 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A NAD+-N1'_2 6.075275709338223 94.42072689618709 1.25198334791194 2.69461531478861 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A NAD+-N1'_2 6.07353808674243 43.34575314049756 0.4011874863319542 3.893824572864746 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A NAD+-N1'_2 6.073206433294035 34.35786541830933 0.357959038097337 3.349066747741392 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A NAD+-N1'_2 6.07367835943932 42.69806305081182 0.9912569671312346 1.736296358982749 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A NAD-N2_1 9.326266558635625 207.0743240051901 1.701382107814939 4.808298958040396 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A NAD-N2_1 9.326547688847475 145.910846118819 1.194273328688612 5.021786942991923 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A NAD-N2_1 9.326771783420915 145.5956002113539 0.9644290097887771 5.331288780554479 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A NAD-N2_1 9.32608277532675 94.67397525123073 0.7433682831650802 5.295125965307882 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A NAD-N2_1 9.32666416949716 237.0035442783762 1.873238464667298 5.38389928983551 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A NAD-N2_1 9.325532653860177 17.74664296991551 0.1781306167853133 4.395509045969343 06_B2_SI_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A NAD-N2_1 9.325698213370956 180.6470841230377 1.423218028255373 5.277268970815583 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A NAD-N2_1 9.326352788580635 275.5159323990868 2.382603993818828 4.888555405677747 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A NAD-N2_1 9.326735836514082 134.12548245893 1.017531288837945 5.151461026434773 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A NAD-N2_1 9.326956978943691 201.7843967397506 1.514314863680375 5.227154173352216 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A NAD-N2_1 9.326541989148735 423.4588207677506 3.484794383599875 4.821770748094978 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A NAD-N2_1 9.3266616755982 109.5531898334416 0.735231747891141 5.463401367697202 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A NAD-N2_1 9.325773829471933 120.4443908053322 0.9355822200660802 4.746310939908319 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A NAD-N2_1 9.32595607686295 269.8151900490206 1.939327529662693 5.782528410256621 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A NAD-N2_1 9.32859193817127 1.336190214258345 0.04002020987783957 1.23214539613415 15_C1-20_SI_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A NAD-N6_1 9.119038678996885 118.9412280079324 0.9457189271650034 4.648505576581359 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A NAD-N6_1 9.119219183895256 98.55963049755937 0.6588422013679875 5.363450179400805 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A NAD-N6_1 9.120035560831685 65.06488953868873 0.5616037274006823 4.434708039733035 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A NAD-N6_1 9.119499936525958 45.42210300728995 0.4516463833043229 3.893081745604021 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A NAD-N6_1 9.119232062693577 126.430195105297 1.052722603402589 4.427804394345358 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A NAD-N6_1 9.118952284468715 3.961741681023178 0.08213058765701269 2.300422382617891 06_B2_SI_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A NAD-N6_1 9.118632593907469 100.092123656846 0.7624509402529357 5.025071658356071 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A NAD-N6_1 9.118933386101535 157.3781631076003 1.392031093284441 4.317041254018812 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A NAD-N6_1 9.11951950280184 70.32558573835556 0.5862953971711344 4.585439509730466 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A NAD-N6_1 9.119272933886126 99.7086017447546 0.8560942096808958 4.258235123645757 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A NAD-N6_1 9.118772782387605 229.4784567560014 1.979699809263697 4.146526483004087 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A NAD-N6_1 9.119152140622774 25.47805034140189 0.3158097705004418 3.562016372411508 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A NAD-N6_1 9.118875242546029 66.19155605269842 0.5268818751624045 4.298184633106488 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A NAD-N6_1 9.11829322467649 144.8152396610564 1.053622550311402 5.59377604826777 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A NAD-N6_1 9.123594812819578 0.7193434636572772 0.04340406278752255 0.7133876093771029 15_C1-20_SI_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A NAD-N6_2 9.129454695072745 92.32975007751352 0.8896590811285919 3.913281150270698 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A NAD-N6_2 9.129805239898571 66.12821656337343 0.5936886022586189 4.220595771027132 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A NAD-N6_2 9.130054285195492 46.24935858767856 0.4492726360387689 4.909337347703178 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A NAD-N6_2 9.129807529881463 51.98746631408005 0.4936130678640815 3.882965841469539 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A NAD-N6_2 9.12980176767546 115.1709785309972 0.9270247426895987 4.730756119952112 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A NAD-N6_2 9.128556713847265 2.349236441182105 0.06290515810162765 1.556152901190772 06_B2_SI_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A NAD-N6_2 9.129039150452664 87.15001411431376 0.7099427881919521 4.752699681263245 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A NAD-N6_2 9.129438534949147 146.767550226297 1.303865702258663 4.27092538500096 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A NAD-N6_2 9.130070050061883 51.43895453616037 0.4924718211549944 4.281489615586948 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A NAD-N6_2 9.129684024880392 94.97884562205668 0.7900089119076057 4.494727464721595 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A NAD-N6_2 9.129132752136247 199.581401593771 1.850582428386497 3.962956597804051 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A NAD-N6_2 9.129149460215716 42.73965862625543 0.3487495815464969 5.844433139729414 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A NAD-N6_2 9.12950237217551 62.38160897908117 0.4744506529822409 4.469741687319189 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A NAD-N6_2 9.129059242929365 133.4537740422811 0.9762947112937954 5.761242735795397 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A NADP-N6_1 9.093194917161593 0.195105597222805 0.01428347603368126 0.6514187563427168 15_C1-20_SI_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Nicotin-2_1 8.925748594295891 76.66537324687592 0.8874587605432401 3.509055070184369 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Nicotin-2_1 8.926539058803955 72.80213056778058 0.8691441813964539 3.589328408468613 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Nicotin-2_1 8.92961172640735 53.96964006716322 0.6250100880242142 3.328568685266936 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Nicotin-2_1 8.928997705010474 59.12764711211317 0.5686190284154022 3.638581885370989 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Nicotin-2_1 8.92945461738648 38.91869938551116 0.5183040006743287 2.884609404382186 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Nicotin-2_1 8.92541 6.014906 0.088281 3.249297 06_B2_SI_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Nicotin-2_1 8.925256230754444 50.31118626853755 0.5184791222120839 3.38582296022534 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Nicotin-2_1 8.925794464740218 93.98332717576895 1.061542904928706 3.357074908103932 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Nicotin-2_1 8.929220705795643 85.22731290597442 0.8587799817706443 3.372439240249101 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Nicotin-2_1 8.926347613229645 107.4880574849267 1.084216840325106 3.69347672218974 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Nicotin-2_1 8.925012318539839 102.3837773737747 1.734431531649608 2.363495245484642 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Nicotin-2_1 8.928067316839664 71.66005972921405 0.6913637509184727 4.940379349396486 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Nicotin-2_1 8.928378616252322 64.01766687719437 0.6161605379401249 3.684616089114408 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Nicotin-2_1 8.92549032439158 156.6947782054693 1.922452541905584 3.30487738467791 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Nicotin-2_2 8.92932 3.014938 0.103627 1.356453 06_B2_SI_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Nicotin-2_2 8.92885644689384 96.71771918054239 1.657460055210883 2.342250993177932 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Nicotin-5_1 7.570292300363825 28.17423099836677 0.548865177357255 2.101009264710336 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Nicotin-5_1 7.570588957616202 37.70458928713192 0.578730021210762 2.399101849401043 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Nicotin-5_1 7.570837758703607 24.47989985138499 0.33 2.990182049440745 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Nicotin-5_1 7.570611408053813 21.30055148599562 0.28 3.066441964082987 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Nicotin-5_1 7.570589335661768 35.48564959040749 0.437103071111513 3.171067568713837 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Nicotin-5_1 7.570971243483772 4.569577739664128 0.15 1.246460034718011 06_B2_SI_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Nicotin-5_1 7.569680360741811 29.03558653973324 0.426406755902395 2.434806048136982 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Nicotin-5_1 7.570226027547003 36.81446821628367 0.6691547421406041 2.282913012962638 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Nicotin-5_1 7.570597395896779 35.2777571956056 0.39 3.646181581630642 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Nicotin-5_1 7.570505724620133 30.67016412345205 0.6215666002339659 2.207119035665651 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Nicotin-5_1 7.570230536207407 73.99225157212888 1.333958574944574 2.283997404072748 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Nicotin-5_1 7.570787069904998 16.05672491274941 0.3061909246754038 2.180290502696715 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Nicotin-5_1 7.569894851287962 12.3312246071721 0.2778115064368844 2.116812281135232 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Nicotin-5_1 7.569761448519488 61.31304241990731 1.119347815945681 2.24088702803847 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Nicotin-5_1 7.57189548033013 9.168292708554045 0.1127997735049583 2.836032503871398 15_C1-20_SI_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Nicotin-5_2 7.578555293180103 28.41854207395232 0.5782513229570009 2.166855351259996 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Nicotin-5_2 7.578851540409624 32.2068522068969 0.5482787586498615 2.281343505041789 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Nicotin-5_2 7.579347955250736 18.95019653662239 0.26 2.556525443058438 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Nicotin-5_2 7.578895537152246 18.17736416211217 0.26 2.462085527555922 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Nicotin-5_2 7.579398779676732 7.81610534230542 0.25 1.146246841509899 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Nicotin-5_2 7.57774550094236 12.19905762246059 0.14 3.467881790354282 06_B2_SI_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Nicotin-5_2 7.578532291533819 19.44457355949541 0.3423578946255798 2.301493938735118 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Nicotin-5_2 7.578506876189296 39.26289102358248 0.6933773524195742 2.383517763285608 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Nicotin-5_2 7.579029263523803 28.36191630428791 0.31 3.635880481242823 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Nicotin-5_2 7.578916352799658 35.5379018359096 0.6341435657389534 2.340475024284047 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Nicotin-5_2 7.578539189686402 68.4001751934081 1.23405779110877 2.380475687144693 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Nicotin-5_2 7.579396079230377 33.58154783241996 0.4065496327851188 2.821521646173511 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Nicotin-5_2 7.578370844031403 22.49806538522827 0.3710728236574851 2.330534184923136 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Nicotin-5_2 7.577987812280283 62.47434412628523 1.126559382370315 2.27855972681735 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Nicotin-5_2 7.579944633981086 1.566793910281318 0.04575193093250091 1.194905082442616 15_C1-20_SI_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Nicotin-5_3 7.583587357980621 27.96799786962186 0.503240219249171 2.555427142129123 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Nicotin-5_3 7.583935550018088 31.49071452769584 0.5493925798798021 2.352770485088413 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Nicotin-5_3 7.584443888732565 19.17852482041198 0.32 2.215486485346331 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Nicotin-5_3 7.584228465914248 25.58178324004816 0.3 3.001517339074622 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Nicotin-5_3 7.583397815374617 16.66147368378753 0.22 2.89383241426458 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Nicotin-5_3 7.583555746879171 2.64204821426182 0.13 0.9692184428880525 06_B2_SI_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Nicotin-5_3 7.582829676046042 23.74966440814616 0.3897304385601258 2.180630481515998 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Nicotin-5_3 7.583716650948789 43.19258233295884 0.7078455817779113 2.471252824871295 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Nicotin-5_3 7.583724138047717 34.7960310839957 0.41 3.285849667425738 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Nicotin-5_3 7.583939518831696 39.28463133118833 0.647392349041182 2.493634069210027 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Nicotin-5_3 7.583404443075715 81.62507516306277 1.326308696410688 2.56535618043721 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Nicotin-5_3 7.592423021195344 20.91512660576426 0.3336620441596847 2.365593372942124 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Nicotin-5_3 7.58319060659055 19.31659369074121 0.35373396611968 2.156845368979773 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Nicotin-5_3 7.583067949665344 65.90006033390594 1.151951333365928 2.378490333573803 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Nicotin-5_3 7.585372479447108 1.662438054842031 0.05661296919686003 1.024614505988366 15_C1-20_SI_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Nicotin-5_4 7.592072843316798 26.6099226976188 0.5631704868790286 2.252130035618558 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Nicotin-5_4 7.592257821675099 34.35624088226038 0.6074835461368367 2.177035151034228 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Nicotin-5_4 7.592897732099708 29.01318734891965 0.37 3.068531569126951 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Nicotin-5_4 7.592611881153762 23.08452451060783 0.3 2.97575834926328 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Nicotin-5_4 7.592324752186743 18.62216529573818 0.24 3.127669598419511 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Nicotin-5_4 7.591742403260016 7.647169548707868 0.17 1.829641533861212 06_B2_SI_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Nicotin-5_4 7.591431865933609 31.19849498229676 0.5165591616039528 2.383876730092206 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Nicotin-5_4 7.591910880763707 36.43230387505621 0.7047159140482668 2.14942485733596 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Nicotin-5_4 7.592751868447055 48.09209567383206 0.46 3.986053900466537 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Nicotin-5_4 7.592194834895178 33.21206793562564 0.6795804697987653 2.123472330733497 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Nicotin-5_4 7.592000382787623 60.08826295688434 1.367097079413908 2.018093357525155 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Nicotin-5_4 7.591679805931561 15.63769294949304 0.3655441003165396 1.968883932919896 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Nicotin-5_4 7.591497936663608 68.82893665088173 1.223133124426047 2.300276354479025 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Nicotin-6_1 8.693556964730885 49.0146883355709 0.7559397819449275 2.339941573980128 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Nicotin-6_1 8.69383712380407 52.6937616199663 0.6980246895458688 2.640484627425703 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Nicotin-6_1 8.693984675638905 23.95982657032084 0.4094917364671052 2.167923990974665 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Nicotin-6_1 8.695298429527302 46.39674357175966 0.4096953500796398 4.134691629832883 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Nicotin-6_1 8.696058565125375 24.75850037842516 0.3787565201534763 2.104888978809401 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Nicotin-6_1 8.69587 2.460843 0.108409 0.943963 06_B2_SI_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Nicotin-6_1 8.694881010772736 30.2819183291213 0.3856831775960993 2.905227989646057 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Nicotin-6_1 8.69420234967511 65.18557367773288 0.7978837985393382 3.332094396535869 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Nicotin-6_1 8.693760125291497 42.59347644902309 0.5959414838813616 2.751772643635075 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Nicotin-6_1 8.694705291698128 60.97482514371212 0.7632096825491401 3.807995523685781 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Nicotin-6_1 8.692903943109545 71.1067459925011 1.389733356417792 1.780109176470495 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Nicotin-6_1 8.69497201029967 42.66295782688395 0.4853032071072585 3.975954641951413 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Nicotin-6_1 8.694419948632662 52.11972781219788 0.4545813094398897 4.294252760132439 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Nicotin-6_1 8.692734965271331 88.98467787170082 1.360484626365482 2.226123323210476 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Nicotin-6_2 8.701892162644791 58.34967595417448 0.7000850215219913 2.700419760801203 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Nicotin-6_2 8.702043871271782 60.60688782541912 0.6660435569307543 2.938812409545297 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Nicotin-6_2 8.70337979336929 31.30964716374736 0.3941912754844291 3.785828206303285 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Nicotin-6_2 8.704012397607245 21.19192303024143 0.3453555080148347 2.417842458613155 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Nicotin-6_2 8.702206598136677 24.16982963862244 0.3726002615495641 2.295647381923852 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Nicotin-6_2 8.70222 6.946088 0.129842 2.11563 06_B2_SI_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Nicotin-6_2 8.701277784036806 25.56596885782897 0.3444587476923579 2.625473911383489 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Nicotin-6_2 8.701688723184834 60.39614384232138 0.8295837433494562 2.530080930597956 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Nicotin-6_2 8.702781418909378 45.47270209726112 0.5881987838683352 3.415871708819379 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Nicotin-6_2 8.703029276614703 56.12978592764939 0.7589212782045618 3.52522136429968 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Nicotin-6_2 8.69565627695561 61.80856275575145 1.315570269190333 1.684461885483379 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Nicotin-6_2 8.703438692735663 33.3285963543589 0.4313911842994337 3.616048931550788 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Nicotin-6_2 8.703653728392032 21.22859047641925 0.3557593221316803 2.082072421038867 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Nicotin-6_2 8.695431155727771 44.00108061242843 0.9806193401798563 1.607790254082923 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Nicotin-6_3 8.701261382770964 54.28607874921605 1.251802133211843 1.558205475695089 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Nicotin-6_3 8.701122831474176 73.35315743869282 1.26150735927736 2.028896932340257 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Nicotin-6_4 8.70392929160301 69.6739767756049 1.335301258072322 1.812670861911081 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Nicotin-6_4 8.703778990570289 44.18058288251594 0.9871263107853612 1.642204879464978 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A P-Cho A_1 3.215551902619925 12362.55947219264 192.8990913121189 2.361799662268073 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A P-Cho A_1 3.215559545352362 12838.95297228513 183.5548318799201 2.541602172042977 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A P-Cho A_1 3.215707561938445 7354.923861088921 115.6527482699241 2.366259304386156 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A P-Cho A_1 3.215321529878194 7147.413724255122 111.0918032326951 2.386035183829195 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A P-Cho A_1 3.215696777791608 9468.87556400467 154.9688236562261 2.284757097294233 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A P-Cho A_1 3.214770103289732 3036.122816875891 47.14433926623273 2.374331470708303 06_B2_SI_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A P-Cho A_1 3.214814471166695 11273.89995422276 160.9685374234463 2.5329657044146 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A P-Cho A_1 3.215755261340733 19739.75688570588 280.4702742792299 2.523373595050471 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A P-Cho A_1 3.215617622455285 12693.62873501689 176.2627689998533 2.606342214947978 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A P-Cho A_1 3.216052788751568 15588.01760565524 239.7877072485638 2.39671028301501 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A P-Cho A_1 3.2165763357639 45869.32294946367 692.4776794052624 2.41084760683661 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A P-Cho A_1 3.215610785974511 9515.31741750532 131.2559784230035 2.59914662805536 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A P-Cho A_1 3.214787011991328 10464.52768501093 150.9380127320888 2.516213446658386 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A P-Cho A_1 3.215660950757393 30133.29537216336 444.3273952062754 2.493461306100913 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A P-Cho A_1 3.214942469780006 1196.715454260757 17.5323709283797 2.491151712072762 15_C1-20_SI_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A P-Cho A_2 3.223856684153593 14870.34654014109 242.6490471280783 2.303379059497489 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A P-Cho A_2 3.223886630453534 18539.34577189483 295.6239543778348 2.379466434381419 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A P-Cho A_2 3.224086109034345 12205.23412706373 185.7029013370851 2.35642715875776 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A P-Cho A_2 3.223694517153792 11520.0989809425 174.3223209416855 2.369353194363668 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A P-Cho A_2 3.224089683106421 17382.97382841243 283.4278002936708 2.237931834265933 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A P-Cho A_2 3.223148819789189 4310.577793096593 64.91611843072964 2.38072667007384 06_B2_SI_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A P-Cho A_2 3.223141137287492 13162.01453442419 205.4317078841133 2.372634935828626 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A P-Cho A_2 3.224040494722119 17250.09806533284 268.5565704488922 2.451474449725892 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A P-Cho A_2 3.224038112698104 20825.41730727382 298.3439682239171 2.513309325456123 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A P-Cho A_2 3.224424351099189 26404.88513367056 397.2050642121476 2.405427030697928 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A P-Cho A_2 3.224953845659293 57960.33002720564 977.8884127237859 2.22003613569166 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A P-Cho A_2 3.223916774787808 9766.864969109654 141.7685597612726 2.558513515167091 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A P-Cho A_2 3.223087568746586 10863.89221008397 160.7486175186644 2.467237636798829 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A P-Cho A_2 3.223976739145068 29395.85964743879 455.0110816491539 2.421790931865664 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A P-Cho A_2 3.223202642662733 1235.513821520947 18.63922225775159 2.466977262219875 15_C1-20_SI_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A P-Cho B_1 4.143454162443751 172.1462866154933 2.837597534107454 2.114664297207055 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A P-Cho B_1 4.143500978192398 94.85640611024807 1.781479476437872 1.897557559700972 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A P-Cho B_1 4.148186542310812 104.2656825542526 1.812424625182548 2.007300522993103 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A P-Cho B_1 4.143301012557138 35.90625858014847 0.8434287728625841 1.56954332532845 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A P-Cho B_1 4.143651574724678 94.08800582445603 1.832440392355104 1.838845928603628 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A P-Cho B_1 4.155932859771284 715.1329803757615 2 12.49 06_B2_SI_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A P-Cho B_1 4.143076249416197 66.11657918825775 1.331406608843584 1.805482425184959 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A P-Cho B_1 4.139252328890165 68.07352829096081 1.405769093124038 1.708604925860146 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A P-Cho B_1 4.143713546605388 111.0036849544769 1.789111723687202 2.170920248033255 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A P-Cho B_1 4.139550797251134 63.51782838757616 1.340060774288635 1.699408321404567 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A P-Cho B_1 4.140216007686971 315.2717027613019 4.901380175863706 2.230351787655456 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A P-Cho B_1 4.148040678127733 160.6737187943261 2.282426017055796 2.398523942637934 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A P-Cho B_1 4.142984678460759 49.82920274017753 1.123404144036388 1.636592880169926 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A P-Cho B_1 4.136355162957464 53.87292920663629 1.080431903858257 1.747004640462289 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A P-Cho B_1 4.156589245773588 198.1428677703991 0.7170882401958969 9.641326833609792 15_C1-20_SI_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A P-Cho B_2 4.148048784303026 311.2769355145525 4.628585720057846 2.359238825186701 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A P-Cho B_2 4.147995676451143 288.4075926397026 4.136671100727282 2.466607954514069 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A P-Cho B_2 4.156126126350428 1530.132580737593 5.174476045954869 9.793142406979706 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A P-Cho B_2 4.147777557953161 120.0042251268877 2.108926815410729 2.055548376595117 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A P-Cho B_2 4.148191434872748 228.6179285892347 3.624408611995138 2.237190531342527 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A P-Cho B_2 4.147477078608671 208.7653557123514 3.312138389633375 2.274778677170184 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A P-Cho B_2 4.143605076722886 177.2410782082431 3.061141692762662 2.045464019733616 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A P-Cho B_2 4.148197272343164 341.0719900072417 4.212274389901966 2.780025016380808 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A P-Cho B_2 4.143996757433182 136.8438803330893 2.544666081693849 1.928062790371212 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A P-Cho B_2 4.144663008635178 474.8520791112199 8.115221295139197 2.066294352214401 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A P-Cho B_2 4.155804526379452 920.3220673404143 4.93366341364837 7.397484907522384 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A P-Cho B_2 4.147424295977585 161.1371314355277 2.643592521203959 2.159401738064906 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A P-Cho B_2 4.139075889950186 185.0442229161754 2.56047010024245 2.393399579018052 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A P-Cho B_3 4.152345829637333 342.5533748752672 3.931530905575894 2.97685494635446 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A P-Cho B_3 4.152351846998584 389.4361272064617 4.185214234032513 3.165448307266999 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A P-Cho B_3 4.160726358435006 46.40125491929395 0.8735005071367073 1.979336388042866 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A P-Cho B_3 4.151926434902555 35.99296658600393 0.7656895927578075 1.68535538431938 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A P-Cho B_3 4.152455269668867 334.8051887444886 3.745626102905055 2.966161990822622 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A P-Cho B_3 4.151665014465532 100.8363473179199 1.785363737457545 2.048244512435668 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A P-Cho B_3 4.148188352951154 532.4572541094367 6.773082995152424 2.671441087215801 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A P-Cho B_3 4.152553612730942 425.7836442999206 4.219261501147774 3.353403929237974 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A P-Cho B_3 4.148433894024799 410.8350389501668 6.032976513030899 2.383470168104175 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A P-Cho B_3 4.149133386445628 1300.420244435229 17.1622672724574 2.601850071195037 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A P-Cho B_3 4.164353085999067 467.4739186574528 3.135476214886137 5.244222302265412 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A P-Cho B_3 4.155097206459493 1054.967119402669 5.435210661252962 7.215060284163019 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A P-Cho B_3 4.143674442953187 262.1163751481167 4.605152115654073 2.057190751324351 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A P-Cho B_4 4.15630882950602 867.6728765986819 7.217994672515201 3.92623143218853 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A P-Cho B_4 4.156411778408296 469.961908680651 4.797474611849048 3.374330929099012 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A P-Cho B_4 4.164872716307464 132.0185036781963 1.982545189248966 2.365707723953902 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A P-Cho B_4 4.155881843039292 1007.610037508384 4.527358347559534 7.765663638596139 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A P-Cho B_4 4.156502489903146 377.8387463460467 4.004172055288533 3.237483057373565 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A P-Cho B_4 4.155702663710042 942.8145611752275 5.445239319071515 5.739931190630336 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A P-Cho B_4 4.152518756123767 612.3569193619536 6.503782888942045 3.118157030879099 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A P-Cho B_4 4.156606502237129 450.7291647133637 4.632306827174822 3.442219620956736 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A P-Cho B_4 4.152641622464966 382.6606835977661 4.649219094714699 2.796926672677397 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A P-Cho B_4 4.153566995613909 1823.661855216677 17.71260107268174 3.361294960328526 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A P-Cho B_4 4.159912575352769 123.1975428326441 1.636791303783693 2.635060104712786 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A P-Cho B_4 4.148114529873186 761.2330048299659 10.43351536873712 2.555835229210387 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A P-Cho B_5 4.160232165444503 221.2237416596178 3.154944587299814 2.471386317810927 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A P-Cho B_5 4.160285735649144 299.4794439775039 3.559038679667123 2.939902257901946 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A P-Cho B_5 4.164292552457207 338.9678255696188 2.744692902343686 3.800076628604879 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A P-Cho B_5 4.160314016405074 341.0413170374671 3.576308264977878 3.150664021072598 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A P-Cho B_5 4.160105482253713 167.3597180395784 2.236976036130425 2.649473238446926 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A P-Cho B_5 4.156521476533963 637.9214374882093 7.470797245926031 3.061447673008934 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A P-Cho B_5 4.160530030336267 368.5584393440921 3.817387392832355 3.322115204339887 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A P-Cho B_5 4.156732068233151 858.4816222894125 7.395732220173821 3.891752353607398 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A P-Cho B_5 4.15754019036677 1834.638008389837 20.01277377771488 3.235763543107306 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A P-Cho B_5 4.164106910950288 209.4305057032784 2.872953858530631 2.613230153067857 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A P-Cho B_5 4.152506951605957 876.5517727784858 9.543614897098585 3.097466381960547 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A P-Cho B_6 4.164582494704653 448.7570988694077 5.06096074020496 2.983397805245368 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A P-Cho B_6 4.16459661995142 425.0892000150563 4.62524041361799 3.138400157595878 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A P-Cho B_6 4.16475080881637 396.5561354972736 4.179430224032905 3.064362278269376 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A P-Cho B_6 4.164118122141324 184.6389252921722 2.694690962171254 2.410250655284458 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A P-Cho B_6 4.16037800268291 613.0363253343473 6.257765021257848 3.3290031669408 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A P-Cho B_6 4.164757393267521 396.6263675951027 4.338076488620867 3.157590023659541 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A P-Cho B_6 4.160695311442813 368.5742929568635 4.737997970175027 2.735229660249292 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A P-Cho B_6 4.161395206812002 1219.80645543034 14.28586765159879 2.918440507081288 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A P-Cho B_6 4.156492871730482 1254.339047784413 12.51511766522735 3.491393257367251 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A P-Cho B_7 4.168843399062858 20.19712804429388 0.5980815803211679 1.178311599462874 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A P-Cho B_7 4.168976275260905 23.76273793011883 0.575553629091589 1.388312959891389 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A P-Cho B_7 4.164738630164032 638.2537085453105 7.047183557589443 3.06008530612643 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A P-Cho B_7 4.169166165535313 26.13633605672282 0.6937224383841525 1.392017201628531 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A P-Cho B_7 4.16494341201314 521.9335998251861 6.302580285991148 2.843556280169139 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A P-Cho B_7 4.165861628959845 1644.140992359148 18.84909390091203 2.992317122180265 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A P-Cho B_7 4.160423654652788 899.4793848484177 9.224893601275253 3.235392408119805 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A P-Cho B_8 4.169132534829703 111.466270172513 1.97813610463822 1.908080894187659 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A P-Cho B_8 4.169381209476298 66.30540736807282 1.53247391110297 1.551252347228167 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A P-Cho B_8 4.17025256617015 259.9326501543496 5.111322732185878 1.775851999372597 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A P-Cho B_8 4.164747367072052 945.7814105126322 10.67406492817307 3.004410372625361 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A P-Cho B_9 4.169137152790284 182.111132792274 2.870572833972255 2.055567878725133 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Phe-2,6_1 7.307063148777468 287.6160935490313 3.542978665063496 3.003712270100324 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Phe-2,6_1 7.307271692808602 275.0960017232242 3.220425517519556 3.062651724768731 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Phe-2,6_1 7.307930125342258 65.20123993899682 0.7597497281474764 2.994444463793957 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Phe-2,6_1 7.307503759798471 159.360500994203 2.054245284397756 2.901591791450929 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Phe-2,6_1 7.307557780323339 133.1815541155996 1.641547397985202 2.908822663083925 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Phe-2,6_1 7.307593873946074 51.60189841724961 0.6832520844411243 2.808048528778538 06_B2_SI_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Phe-2,6_1 7.306733847496838 68.07748930746696 0.8673575668116136 2.959678912986146 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Phe-2,6_1 7.306790677255751 171.2878014541459 2.035859894891949 3.147842303280252 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Phe-2,6_1 7.307410594153949 107.2685625774075 1.195778283571118 3.216239585080087 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Phe-2,6_1 7.307343335918732 122.1407672335493 1.398347779019496 3.246795929612625 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Phe-2,6_1 7.306300262229473 478.8748064137003 5.180984373851548 3.710544499113085 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Phe-2,6_1 7.307631092912279 161.0502051740309 1.907413250464687 3.027213705661411 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Phe-2,6_1 7.306778276919788 69.59689729653594 0.88692436419185 3.151300226197571 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Phe-2,6_1 7.306188985105189 254.690745778345 3.256879878674883 3.012643366566327 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Phe-2,6_1 7.307154901692154 15.83258866590858 0.2290758861927333 2.411590225396118 15_C1-20_SI_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Phe-2,6_2 7.319040541743622 145.8969832842174 2.302877977101029 2.212613188092682 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Phe-2,6_2 7.320383391849488 161.4499446541672 2.180438812845722 3.529260646441945 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Phe-2,6_2 7.321880340612326 37.23447821764123 0.5719766683014068 2.779150185405971 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Phe-2,6_2 7.320384628026935 100.2649653569144 1.434364219997246 3.33180443463332 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Phe-2,6_2 7.321598654804141 61.63614258835784 1.215136560018259 2.38762549785744 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Phe-2,6_2 7.321158387560593 28.94011600769171 0.5041193601482103 2.485102013457085 06_B2_SI_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Phe-2,6_2 7.320625793664735 51.57945714828076 0.8565164914690311 2.826370952282919 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Phe-2,6_2 7.319267075594934 135.2387641236243 1.760546077680036 2.831021709967718 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Phe-2,6_2 7.321620193750683 107.4046489195225 1.203140327658133 3.11485444536584 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Phe-2,6_2 7.319739636115282 43.45055831817663 0.8728083685565236 2.123046763257026 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Phe-2,6_2 7.318808004022816 258.6341121326132 4.313157322282731 2.116537705551761 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Phe-2,6_2 7.320258933412354 84.92059513145689 1.363127526624377 2.954595256038804 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Phe-2,6_2 7.319391994047362 49.73731986164868 0.8461622121194748 2.801679740068812 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Phe-2,6_2 7.318838491968946 213.6705881819267 2.544675760402355 3.010501766925322 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Phe-2,6_2 7.319233831766814 16.66061192741023 0.2121294994546502 2.740443437950134 15_C1-20_SI_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Phe-2,6_3 7.321457209033508 201.6216663131291 3.395514416291056 2.128914474810214 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Phe-3,5_1 7.401051546132083 159.921777593774 2.02488409987035 2.699306071387639 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Phe-3,5_1 7.401283515803479 118.0277459906726 1.643761784266619 2.538237380234104 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Phe-3,5_1 7.401579859964833 26.19188703783663 0.3909968092696589 2.306943009039963 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Phe-3,5_1 7.40117235550152 71.10518091786048 1.057423832343233 2.407933192648705 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Phe-3,5_1 7.401425899892495 83.44519244919977 1.068281052751054 2.622714993238716 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Phe-3,5_1 7.400900182053401 19.61392723077849 0.2970506007081494 2.367340448621724 06_B2_SI_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Phe-3,5_1 7.400356867075444 36.70750119302463 0.5862273741899862 2.30939174373194 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Phe-3,5_1 7.400803180529991 121.9955854301841 1.610862985314873 2.677144946537962 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Phe-3,5_1 7.4012301512358 58.11583649729333 0.8272127754104975 2.488394216766236 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Phe-3,5_1 7.401448249550645 70.77862884611564 0.9592488604994036 2.778755055753509 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Phe-3,5_1 7.40052846228556 254.9130999964629 3.872822033817046 2.340658959071611 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Phe-3,5_1 7.401378325814735 82.86809247683529 1.07949195607831 2.731194226139971 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Phe-3,5_1 7.400557314981942 50.76599852099859 0.6956813163507226 2.616309913330031 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Phe-3,5_1 7.400243173147537 187.3495709710834 2.281314256842697 2.865487707495529 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Phe-3,5_1 7.401537148641148 20.736870455355 0.1637864232236028 4.417700579428493 15_C1-20_SI_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Phe-3,5_2 7.413663251910256 174.2589956715373 2.638900628701141 2.328776015057036 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Phe-3,5_2 7.413733729229384 157.4343042840811 2.166767381143869 2.610076878538475 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Phe-3,5_2 7.414216629760827 39.97804222865775 0.5374093050182829 2.595656996533088 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Phe-3,5_2 7.413784883702779 109.1514022743211 1.464703279786247 2.57562251640907 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Phe-3,5_2 7.413865206182345 99.2392018010338 1.349656053305619 2.53635687049942 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Phe-3,5_2 7.413714199028706 29.56976562952836 0.4455806492215218 2.315541248339033 06_B2_SI_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Phe-3,5_2 7.413059031128381 65.16004499567943 0.8641466082401132 2.650621241181696 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Phe-3,5_2 7.413510736277177 136.0291234356115 1.972235619770132 2.406600833330024 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Phe-3,5_2 7.413639142128656 83.24283512345717 1.083174761947223 2.915903393086456 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Phe-3,5_2 7.413807628274588 92.07066485200994 1.172711063991326 2.733556445639902 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Phe-3,5_2 7.413080998547521 337.2683160845431 5.141051677424331 2.382135176700846 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Phe-3,5_2 7.414059031128382 116.6790415499947 1.44185492065058 2.777805038410918 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Phe-3,5_2 7.413029297760235 75.5667034638841 0.9109238407991332 2.894538761357855 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Phe-3,5_2 7.41296244142597 230.2078357466248 2.959941783690391 2.713737861825398 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Phe-3,5_2 7.411742959939745 10.75409349635735 0.1254673244435335 2.990708826471386 15_C1-20_SI_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Phe-3,5_3 7.425624955378541 77.80153334725138 0.9305220527888063 2.572699856700173 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Phe-3,5_3 7.425808992793642 58.85794178338035 0.7451818958793275 2.608578223518097 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Phe-3,5_3 7.426122595638375 32.20132469929538 0.25 4.49432723823822 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Phe-3,5_3 7.425683621162167 36.65327477751108 0.489988854062188 2.30172914888553 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Phe-3,5_3 7.425999163650832 31.91211061932804 0.4056381994982668 2.572887291595969 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Phe-3,5_3 7.425411983062491 5.01188966399418 0.1772593365013005 0.9865596376620483 06_B2_SI_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Phe-3,5_3 7.424911965582642 28.50125471768163 0.3524529329663746 2.909581235630819 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Phe-3,5_3 7.425246852495963 39.89762621393565 0.6087242736680414 2.244718599892208 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Phe-3,5_3 7.425889206931537 28.3972094926769 0.3644650214877177 2.74078706349122 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Phe-3,5_3 7.425855492190267 33.70675018847439 0.378486515304886 2.897768957449491 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Phe-3,5_3 7.42514855470662 109.5892757936527 1.494649808756896 2.367996843136415 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Phe-3,5_3 7.425999120611682 37.20210438959934 0.436474977959854 2.781094194847908 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Phe-3,5_3 7.425212900330114 25.66084070083218 0.3594152347193314 2.480175785798988 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Phe-3,5_3 7.424887549891653 85.05546251584033 1.074699067241007 2.917876493516808 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Phe-3,5_3 7.42570578254346 6.565051688876635 0.1172439033956522 1.953794317922068 15_C1-20_SI_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Succinate-2,3_1 2.396674254689427 2351.11508996986 48.37846696108189 1.678439971970778 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Succinate-2,3_1 2.396676010074485 1458.037034714477 26.89417702047774 1.902473344269668 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Succinate-2,3_1 2.396866044485688 1021.118100033191 18.05014053056284 1.926466196308388 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Succinate-2,3_1 2.396483038591496 1637.931471403158 32.91079933776116 1.736553862868507 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Succinate-2,3_1 2.396835219945113 1856.228602734656 35.65803101199342 1.768973603680846 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Succinate-2,3_1 2.395999934091476 373.4348837453773 6.915226927155001 1.914350783109489 06_B2_SI_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Succinate-2,3_1 2.396035141118509 1006.816140374563 19.15174110242533 1.82094545701907 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Succinate-2,3_1 2.39682202225525 2292.093926732799 49.38564818400349 1.664018866671982 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Succinate-2,3_1 2.396807465595182 1349.445998593051 23.29351677526661 1.991750024409514 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Succinate-2,3_1 2.397095496087542 2782.920765722397 58.94402143968811 1.643856149784244 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Succinate-2,3_1 2.39761284774256 5740.325703842832 117.8840271902 1.699074931529083 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Succinate-2,3_1 2.396748791879757 935.0910470501358 15.66476798186659 2.066002253134474 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Succinate-2,3_1 2.395978377643364 1060.022752397544 19.37003927218006 1.884982285682341 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Succinate-2,3_1 2.396712877420736 1537.040116369845 28.01954252065707 1.914058132831861 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Succinate-2,3_1 2.396176895406172 60.75719201323276 0.9788124755390285 2.080733259491893 15_C1-20_SI_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Tau-1 (SCH2)_1 3.243721135857236 7082.719617822858 136.0925953295719 1.891238444672522 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Tau-1 (SCH2)_1 3.243633093514268 8105.395632658748 141.2855794704019 2.06514729300006 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Tau-1 (SCH2)_1 3.243653688198269 4164.507004978586 78.68087055912993 1.951398681361979 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Tau-1 (SCH2)_1 3.243301596073938 4360.292478195725 81.79100589735478 1.958778341570015 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Tau-1 (SCH2)_1 3.243751209354824 6558.761113994638 136.8443060030332 1.801597026893617 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Tau-1 (SCH2)_1 3.242573122056728 1567.78036582115 29.95735012297562 1.929449396119216 06_B2_SI_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Tau-1 (SCH2)_1 3.242841895620287 6050.323461536481 110.1588517030066 1.989378504982409 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Tau-1 (SCH2)_1 3.244017577602357 12687.04392003858 246.4416387116896 1.902617637338034 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Tau-1 (SCH2)_1 3.243695814872595 7683.673110196153 127.8275277042516 2.15511815098378 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Tau-1 (SCH2)_1 3.244257703908559 9589.459188838413 182.5382434812032 1.915893048841241 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Tau-1 (SCH2)_1 3.245245603025217 20081.24794343366 373.0317100901519 1.948198017325644 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Tau-1 (SCH2)_1 3.243612695848446 5472.863956174156 95.15950282212637 2.096024423466655 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Tau-1 (SCH2)_1 3.242768065521393 5168.755034922796 95.89939229158895 1.969253120811528 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Tau-1 (SCH2)_1 3.244097184362975 16020.9255312984 283.7157346588882 2.052352369275876 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Tau-1 (SCH2)_1 3.242680693597956 469.7344216086337 8.850480361514137 1.939386396602337 15_C1-20_SI_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Tau-1 (SCH2)_2 3.254775589236904 17441.04927443355 310.1769185562622 1.992461937075211 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Tau-1 (SCH2)_2 3.254681863561152 17053.31060261785 302.0248866698074 2.051665576859273 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Tau-1 (SCH2)_2 3.254687925037047 9561.904998071846 170.7442109243048 2.022660172882082 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Tau-1 (SCH2)_2 3.254367080465777 9715.291695986652 179.3814801666918 1.9967781147613 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Tau-1 (SCH2)_2 3.254819276572979 16288.48691510506 306.897510989413 1.915631360599198 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Tau-1 (SCH2)_2 3.253633920476845 3732.741746122778 66.09598696182212 2.054306587957298 06_B2_SI_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Tau-1 (SCH2)_2 3.253908155620664 13214.33417668619 239.0957705013763 1.995262669525147 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Tau-1 (SCH2)_2 3.255059819780705 29628.38525067968 535.7359397160942 2.000697454098158 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Tau-1 (SCH2)_2 3.254745500145344 16661.48624238322 273.8421516678641 2.181423734855643 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Tau-1 (SCH2)_2 3.255306356803568 21953.50748090069 401.5615902388855 1.964682460329073 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Tau-1 (SCH2)_2 3.256313968670753 43883.98661396509 801.6925980593711 1.973119275324097 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Tau-1 (SCH2)_2 3.254693549610233 12547.29372000427 206.7896991517533 2.189034851222532 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Tau-1 (SCH2)_2 3.253836928193384 12039.90286304684 208.7257137307646 2.068109940707073 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Tau-1 (SCH2)_2 3.2551632793896 35442.76094849061 621.3659599597243 2.065678463402423 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Tau-1 (SCH2)_2 3.253730250172009 1163.509355430724 19.26273315739724 2.130198856213475 15_C1-20_SI_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Tau-1 (SCH2)_3 3.265852089944077 9636.072298155197 192.3791366828505 1.832197953090246 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Tau-1 (SCH2)_3 3.265775641332829 9725.669052328221 187.9107496995803 1.936987719956283 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Tau-1 (SCH2)_3 3.26578974537103 6385.62016178274 111.0590233015876 2.039278971209522 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Tau-1 (SCH2)_3 3.265429443383081 6228.570444679792 114.7716692385908 1.958645657096651 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Tau-1 (SCH2)_3 3.265909024342639 10069.10979606348 199.7512669371872 1.815319390207693 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Tau-1 (SCH2)_3 3.264726544529558 2284.647308173708 42.48845781279064 1.951911228777498 06_B2_SI_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Tau-1 (SCH2)_3 3.264997546184907 8435.98996284427 153.6250492465632 1.968795522718342 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Tau-1 (SCH2)_3 3.266197886114312 17324.34553310002 336.389492748812 1.887112176066604 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Tau-1 (SCH2)_3 3.265848764989645 9621.73821819793 172.6424069492208 2.014968674336968 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Tau-1 (SCH2)_3 3.266393839699657 14615.89576283381 263.9386991371717 1.973410630775939 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Tau-1 (SCH2)_3 3.267405181189739 27816.96729161867 521.2534133575799 1.936299658286167 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Tau-1 (SCH2)_3 3.265751569379221 7888.788447075954 132.3184011846699 2.137551854426709 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Tau-1 (SCH2)_3 3.264929143617934 7367.139765592618 133.3244213472721 1.981142868828355 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Tau-1 (SCH2)_3 3.266260332044385 21414.60085130365 388.7591076050991 2.023375864247949 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Tau-1 (SCH2)_3 3.264824157649144 718.4159775310624 12.46255247630015 2.035235555482033 15_C1-20_SI_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Tau-2 (NCH2)_1 3.40036461863094 9967.832170688827 199.4753115547934 1.768351786225262 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Tau-2 (NCH2)_1 3.400358570489647 9769.712822285092 196.8721612173692 1.828271829850566 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Tau-2 (NCH2)_1 3.400572268440802 5557.512963483174 115.0066201338927 1.772313674071074 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Tau-2 (NCH2)_1 3.400154653046031 6036.234604261803 119.4549298037049 1.836353599049749 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Tau-2 (NCH2)_1 3.400543374326184 9479.571052214453 202.1347267569499 1.716523358456155 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Tau-2 (NCH2)_1 3.39967393820571 2171.606897230752 43.71882696978434 1.831320168324727 06_B2_SI_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Tau-2 (NCH2)_1 3.39977382617206 7641.040484035068 157.0049985857817 1.794281536238321 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Tau-2 (NCH2)_1 3.40055345271115 16476.7882552372 347.6586585980518 1.753883800288086 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Tau-2 (NCH2)_1 3.400557779675988 9231.04654829683 178.2638979158171 1.909145855911392 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Tau-2 (NCH2)_1 3.400852290220318 12567.83016314054 260.9131977407764 1.752844474963591 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Tau-2 (NCH2)_1 3.401515427867317 24749.99468083082 520.266496860744 1.753883800288086 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Tau-2 (NCH2)_1 3.400437378442734 6799.40495424356 133.7864338188641 1.883979223523398 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Tau-2 (NCH2)_1 3.39970460678134 6571.259724002565 135.4534959601559 1.788586634448104 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Tau-2 (NCH2)_1 3.400520726422425 20330.33299982488 396.344397517807 1.891743145882658 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Tau-2 (NCH2)_1 3.399865887789244 620.002029520054 12.61994675161102 1.798771680149221 15_C1-20_SI_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Tau-2 (NCH2)_2 3.411485568688331 17188.87519237934 320.2895151659733 1.897566321295736 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Tau-2 (NCH2)_2 3.411459859931223 16719.04998197832 316.599958638792 1.978462983347261 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Tau-2 (NCH2)_2 3.411687524094594 10028.25194051009 186.9774010807028 1.943124511809817 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Tau-2 (NCH2)_2 3.411275638669333 10355.45418681834 195.2879451468202 1.924747754637546 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Tau-2 (NCH2)_2 3.411627632573763 16554.14037253343 330.6907669925247 1.844879338792316 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Tau-2 (NCH2)_2 3.410802608159456 3754.929740440834 70.75381547665164 1.955726954123777 06_B2_SI_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Tau-2 (NCH2)_2 3.410886786767545 13182.87142444856 255.1298889953085 1.905023085764062 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Tau-2 (NCH2)_2 3.41167151105512 28758.882065635 561.6210803856762 1.915938909013392 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Tau-2 (NCH2)_2 3.411660784975398 16403.29363980228 290.2208448684607 2.07009465116248 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Tau-2 (NCH2)_2 3.411966708773937 21816.05473926549 425.628231388927 1.861923941786695 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Tau-2 (NCH2)_2 3.41263802434307 43520.31085489507 841.5683711215327 1.895542120114226 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Tau-2 (NCH2)_2 3.411552481630264 11800.72063553037 215.3150663615031 2.034490180002189 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Tau-2 (NCH2)_2 3.410814229727559 11537.34949879014 219.9380950013226 1.917037772958801 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Tau-2 (NCH2)_2 3.411616917925678 33311.75203948333 643.3632471177642 1.96456330503769 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Tau-2 (NCH2)_2 3.410972605171315 1083.98840573549 20.31178518268051 1.942382616714642 15_C1-20_SI_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Tau-2 (NCH2)_3 3.422543724894257 7107.080533671493 145.9285797391085 1.794961305347096 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Tau-2 (NCH2)_3 3.422514832861355 6875.895527100061 141.9139341988049 1.881240281263773 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Tau-2 (NCH2)_3 3.422734429582724 4350.911620853162 85.11282099869354 1.882175697425204 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Tau-2 (NCH2)_3 3.422334355121849 4486.085776084908 87.36652147423348 1.887262303745092 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Tau-2 (NCH2)_3 3.422701143648181 7219.534873326505 149.7523664189092 1.776741452729445 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Tau-2 (NCH2)_3 3.421858103516996 1636.59014543766 31.96506604020898 1.887625747288535 06_B2_SI_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Tau-2 (NCH2)_3 3.421927293833207 5727.07040821275 115.4188810186103 1.846540318570614 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Tau-2 (NCH2)_3 3.422725203353116 12298.0002594372 252.936313770119 1.837477259921808 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Tau-2 (NCH2)_3 3.42271142130071 6817.97897251493 128.4173302669291 1.972691060685013 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Tau-2 (NCH2)_3 3.423020809200133 9811.277727638853 194.7584894297341 1.832513250011953 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Tau-2 (NCH2)_3 3.423668795629081 18187.16626879271 381.5135656144267 1.793441147633786 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Tau-2 (NCH2)_3 3.422602068366462 5258.242293992984 98.47727554133677 1.977892066868429 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Tau-2 (NCH2)_3 3.421865053270091 5218.806144096142 101.2004952038174 1.894882952462751 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Tau-2 (NCH2)_3 3.422675149907024 13931.04540775014 289.9613971307654 1.863501537806091 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Tau-2 (NCH2)_3 3.422032851165487 470.5496436730653 9.369034805433387 1.851663915514005 15_C1-20_SI_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Tris_1 3.718907669970639 20906.01542914416 399.1397942552192 1.825533269834391 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Tris_1 3.718906101176968 11719.05129186907 219.7965245922336 1.948067275995997 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Tris_1 3.719203547977235 9813.433776276801 183.758824045461 1.921764870374321 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Tris_1 3.718747301582524 8390.28445719995 160.6275902190163 1.863041329529426 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Tris_1 3.719144325608553 9005.317953134707 176.2185648428687 1.82103266171054 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Tris_1 3.71835930854744 2985.70364236044 55.77086375755292 1.932654282528234 06_B2_SI_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Tris_1 3.718449789374206 5843.137767714386 109.8132480314391 1.906146973653945 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Tris_1 3.719134802878318 8473.198411712578 161.3081460734488 1.888301724298778 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Tris_1 3.719205427249788 9898.993746481807 174.9981052434989 2.024453118512391 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Tris_1 3.719469045866929 12221.73842925961 225.8120194812901 1.891798758579836 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Tris_1 3.720198070240098 10812.91439831381 208.3678794282127 1.86053818084155 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Tris_1 3.719024240628999 13744.09501374184 246.5851962500577 2.010416871271783 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Tris_1 3.71837417627696 5556.33334580358 101.4135553411943 1.958390037029347 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Tris_1 3.719089681672914 9311.162774683075 173.4439705039163 1.949181071109473 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Tris_1 3.71855133102579 5465.331901808806 98.90501239792667 1.987998191987941 15_C1-20_SI_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Trp-4_1 7.518630847926167 71.23059158251883 1.279537791892682 2.002467688449114 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Trp-4_1 7.518952513460518 73.58006592030448 1.110999411769452 2.310879526880186 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Trp-4_1 7.519280488632062 22.95101041038916 0.4511027485711688 1.845500290112349 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Trp-4_1 7.519322736571396 43.16585975838262 0.6559961627655049 2.566076412665291 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Trp-4_1 7.519151319011624 41.3169948807587 0.7093986502989363 1.979181482045405 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Trp-4_1 7.518622564320331 8.915030523347331 0.1440466402351009 2.274688938829547 06_B2_SI_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Trp-4_1 7.518153355635291 33.69761748769136 0.6507527475022079 1.759666783674682 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Trp-4_1 7.518841369557371 71.79576934296843 1.364597017658653 1.774231025211729 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Trp-4_1 7.519013606825296 31.58677881571813 0.6116140003704035 1.878125929120399 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Trp-4_1 7.519266013789535 48.43253554010047 0.9823180376914549 1.645537547613408 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Trp-4_1 7.519484613396968 63.80598954751783 1.618147341441903 1.428015708489335 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Trp-4_1 7.519240260084727 52.02243845757776 0.7436130133604589 2.452073267831637 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Trp-4_1 7.518118466170927 27.67814039789347 0.5885797705308224 1.665951176866922 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Trp-4_1 7.517580747423547 121.1651654714041 1.066961815620736 4.186751188425163 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Trp-4_1 7.526551054010124 6.54292520169512 0.09990486733886758 2.285158189924369 15_C1-20_SI_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Trp-4_2 7.531701124383735 71.26183141519729 1.150725775214118 2.1498500281174 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Trp-4_2 7.532107697859272 66.50733182358299 1.039093375864258 2.317389538880204 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Trp-4_2 7.531982652750655 25.2668234959492 0.4602732360177121 1.88789676210729 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Trp-4_2 7.532404906735809 40.90964719639691 0.5549221347198848 2.975979263152882 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Trp-4_2 7.532002464563261 37.3247672271826 0.6586732343727462 1.987732141519642 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Trp-4_2 7.530841841615513 3.764791757961189 0.1188554748425741 1.276802430581216 06_B2_SI_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Trp-4_2 7.530983222437152 34.02717803451653 0.5975345562086318 1.887434707218273 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Trp-4_2 7.53168093157771 72.64686347205448 1.361549799783293 1.813136864936328 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Trp-4_2 7.531866909675193 43.58300551390961 0.6756091281400074 2.20429235185712 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Trp-4_2 7.532057316355513 50.97995926473332 1.061599697942915 1.675597328363321 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Trp-4_2 7.532227433680855 63.90441137891679 1.62534332293837 1.441069455607384 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Trp-4_2 7.532125189088068 43.17935668186146 0.6319378565326573 2.497638302967594 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Trp-4_2 7.531011047014195 37.63403140798537 0.6167409353785501 1.973293710014072 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Trp-4_2 7.531229096288328 86.54555895342679 1.280829669604024 2.456980004414379 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Trp-4_2 7.533781240522642 3.612069373192787 0.08844287623607325 1.42503058773407 15_C1-20_SI_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Tyr-2,6_1 7.172349069094301 208.6872862563069 2.990358514490973 2.371482820571037 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Tyr-2,6_1 7.172673608963409 203.3845458073636 2.79483249993921 2.522020073667966 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Tyr-2,6_1 7.173032288305872 45.66172847684904 0.6671409321009069 2.453925387235777 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Tyr-2,6_1 7.172773035821744 140.7622651008235 1.970319576204623 2.507647408302 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Tyr-2,6_1 7.172658537787692 95.31171342771806 1.476932792974583 2.251350752952606 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Tyr-2,6_1 7.172723121349766 46.97921596630639 0.7379723797410027 2.224458365168162 06_B2_SI_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Tyr-2,6_1 7.17185658886843 83.6702221855193 1.220767270686377 2.365615123634881 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Tyr-2,6_1 7.171937330832859 168.247170936496 2.661631444905763 2.213738198396514 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Tyr-2,6_1 7.172682372984765 109.0372015969745 1.537633795079963 2.488394216766236 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Tyr-2,6_1 7.172502111409861 104.3122356356263 1.497961820764117 2.393323706153569 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Tyr-2,6_1 7.171036684502454 345.1381745677504 5.418894426808338 2.224968950929799 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Tyr-2,6_1 7.172900679072957 144.3124954497474 1.964633525501008 2.563027979264284 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Tyr-2,6_1 7.171992061548157 55.68687169081741 0.8196496009661149 2.370585103043559 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Tyr-2,6_1 7.17125579451934 180.5556956982638 2.845298172412964 2.275149827267187 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Tyr-2,6_1 7.173779613760577 22.68111360144542 0.2076502297584484 3.811210350319342 15_C1-20_SI_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Tyr-2,6_2 7.186298572544334 197.5651708937891 3.102716273623475 2.290941567741409 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Tyr-2,6_2 7.186498745262459 192.8917086644557 2.921258739719179 2.385411086097061 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Tyr-2,6_2 7.187133807831749 50.36180695812354 0.7588525527541723 2.353975372628609 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Tyr-2,6_2 7.186790815303508 136.304683486121 2.026546766385639 2.372814226945665 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Tyr-2,6_2 7.186790815303508 94.41821740479175 1.448505730024549 2.295529464146651 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Tyr-2,6_2 7.186887405005919 61.00207409767727 0.806529551958099 2.650749685046822 06_B2_SI_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Tyr-2,6_2 7.185882197778709 73.99654512936011 1.160495759907556 2.331019255022578 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Tyr-2,6_2 7.18597644576169 164.278013423969 2.477366206796611 2.313770047088662 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Tyr-2,6_2 7.186660448049956 93.43270944764514 1.473839110289611 2.403050066698921 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Tyr-2,6_2 7.1865225827151 110.1061825400903 1.528068184860994 2.472357102292305 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Tyr-2,6_2 7.18523210599788 249.9319029317022 4.504372629001775 2.045685900009718 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Tyr-2,6_2 7.186921361055012 135.2419706807916 1.937336781954072 2.4723912025491 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Tyr-2,6_2 7.186131918549254 55.14423012669242 0.8195698106268539 2.383080108199604 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Tyr-2,6_2 7.185149612152967 175.2344022819213 2.593026329211063 2.448776061812695 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Tyr-2,6_2 7.187472252075981 13.59398520582969 0.1929866451025261 2.457822400137283 15_C1-20_SI_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Tyr-3,5_1 6.878737337404339 135.7337022142344 2.478580872079376 1.929221672672552 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Tyr-3,5_1 6.878872099113472 139.1142980663127 2.312860207999422 2.080379133207951 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Tyr-3,5_1 6.879498746786599 34.58848018648395 0.5677046264866742 2.104680150013975 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Tyr-3,5_1 6.879106021301758 104.9782648414734 1.704717389676207 2.148710767663504 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Tyr-3,5_1 6.879048390611934 67.56777872927181 1.214008678827666 1.915775736265356 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Tyr-3,5_1 6.87917836584439 37.01211231989841 0.6102323474970276 2.071168491150386 06_B2_SI_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Tyr-3,5_1 6.878265112967289 64.34650535055825 1.050949243139795 2.080609006088068 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Tyr-3,5_1 6.878319569611723 138.2585299177024 2.362368620798545 2.027221128948796 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Tyr-3,5_1 6.879054864064816 92.2025057179204 1.366345077504973 2.345891157992829 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Tyr-3,5_1 6.878894057625368 86.00549650447647 1.328400043037382 2.109914898885767 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Tyr-3,5_1 6.877256798796323 295.838160545016 4.905821669265561 2.060502345009101 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Tyr-3,5_1 6.879373980120714 101.5352558725444 1.670500388285526 2.141710485115599 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Tyr-3,5_1 6.878380168727361 48.99680762066263 0.7529811341846886 2.213268295801158 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Tyr-3,5_1 6.877616336997891 155.4835465166318 2.600652342607997 2.130241813523597 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Tyr-3,5_2 6.892774859153445 141.4198036442223 2.597871968801952 1.891803306610362 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Tyr-3,5_2 6.892978785292303 141.8725472072907 2.46862529593612 2.027088095273908 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Tyr-3,5_2 6.893584677696873 41.69287555776847 0.6757381623352192 2.068969255081795 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Tyr-3,5_2 6.893198121064204 120.639083118387 1.846526424317195 2.163674312011938 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Tyr-3,5_2 6.893178922482711 78.48577310513689 1.324131069505968 2.001075468289905 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Tyr-3,5_2 6.893333266018756 39.56871765228808 0.6892152820590554 2.003217191715662 06_B2_SI_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Tyr-3,5_2 6.892270304957913 71.53868890396517 1.186904887809042 2.088582646811503 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Tyr-3,5_2 6.892309421566852 149.5646615577108 2.587293963035024 2.005698791806189 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Tyr-3,5_2 6.893067407894707 97.48714487476347 1.499128680223719 2.26114412592461 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Tyr-3,5_2 6.892936086260224 92.77074004930763 1.480449919738908 2.09021010044719 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Tyr-3,5_2 6.891370134557994 272.7588873458898 5.104045286492484 1.879478575470528 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Tyr-3,5_2 6.893361687433113 112.2741479358454 1.872988143357704 2.118559299037861 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Tyr-3,5_2 6.892453069908314 49.19524358370836 0.8006761047748665 2.099458517043543 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Tyr-3,5_2 6.891578817242802 156.5466655064275 2.627357222364396 2.079005595631889 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A UXP-1'_1 5.984412110359534 209.8323584836786 2.703038002663636 2.83068874506083 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A UXP-1'_1 5.984570846404689 203.3309909518763 2.38013576859323 3.002316224457692 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A UXP-1'_1 5.985000000883619 130.51896297081 1.663755927009012 2.93294446673723 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A UXP-1'_1 5.984544060211831 143.2379870375233 1.598423044367008 3.232572450918791 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A UXP-1'_1 5.984650093608222 204.9923593640823 2.337687762389888 3.090539697254589 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A UXP-1'_1 5.984227563394187 37.34212443829269 0.5359746078608327 2.533381804358156 06_B2_SI_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A UXP-1'_1 5.983946756328359 135.1085630474337 1.812111143327695 2.851236499628979 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A UXP-1'_1 5.984568292150369 287.6396308305992 3.765495802369648 2.893452450256084 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A UXP-1'_1 5.984819132995329 187.7178031952271 2.265560951545873 3.191711497659761 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A UXP-1'_1 5.985026414146095 260.4441830086669 3.671100289508169 2.644590902716034 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A UXP-1'_1 5.984343151885969 648.9231028291201 8.368265314710523 2.909097397095599 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A UXP-1'_1 5.984849403738746 116.3718406323871 1.547694829441177 2.86891772534465 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A UXP-1'_1 5.984203096013259 68.01430435812837 0.8929420792508823 2.658183303513246 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A UXP-1'_1 5.984614559062673 445.9326955700495 4.980233372683714 3.356433803939182 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A UXP-1'_2 6.001161915559713 134.1625904049044 1.673874852722209 2.938711034495866 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A UXP-1'_2 6.001195987272951 147.6159177800187 1.532439803572017 3.456402125012518 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A UXP-1'_2 6.002053394513294 93.44043183029873 1.088751600206449 3.092974732885487 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A UXP-1'_2 6.001398253526466 137.4142119493021 1.063433642520022 4.772631649471969 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A UXP-1'_2 6.001563593524438 133.075609445531 1.359915566773502 3.514838027096959 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A UXP-1'_2 6.001291696408679 56.1731682155702 0.4360241177103495 4.668007985825252 06_B2_SI_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A UXP-1'_2 6.001223765807302 184.6893260700196 1.376169039997328 5.142925665760628 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A UXP-1'_2 6.001196510539168 167.9669718409531 2.213747417081348 2.937947040153009 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A UXP-1'_2 6.00154715312496 165.3169327112781 1.652759168144392 3.845123701126612 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A UXP-1'_2 6.001718855668103 175.7691946264798 2.384358457348843 2.747958681751971 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A UXP-1'_2 6.001096466126039 313.8711281315225 4.354339532900735 2.751437440322871 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A UXP-1'_2 6.001651319150045 170.7636032718438 1.292139501187409 4.988181795973766 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A UXP-1'_2 6.000711537007984 156.576661117168 1.209270765877936 4.797818549467199 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A UXP-1'_2 6.000483766376077 510.1728142117639 4.339866308442075 4.39456665685216 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A UXP-5_1 5.961100877184254 106.5838562882279 1.206880400372075 3.559828928858104 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A UXP-5_1 5.961515384285668 168.0972181409052 1.293694724387956 5.237579792653776 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A UXP-5_1 5.962349729423403 71.34338736496693 0.8233739335257562 3.492677969649504 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A UXP-5_1 5.961532582472318 88.62670264743949 0.7936401300666958 4.501351271312826 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A UXP-5_1 5.961623833622282 118.0734884032086 1.271117509851944 3.744282656655153 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A UXP-5_1 5.965593372587288 22.7637763754337 0.3262697719040746 2.483512036788246 06_B2_SI_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A UXP-5_1 5.960748016225866 111.0471093884062 0.8958459743933295 4.996614509601814 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A UXP-5_1 5.961191521300391 149.2190410549267 1.533549012517512 3.922188998484804 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A UXP-5_1 5.961528270907064 121.2909777772335 1.121966169260425 4.357633173303834 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A UXP-5_1 5.961789504444661 174.4742990842195 1.77249571719614 3.967785636774217 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A UXP-5_1 5.961402493913825 310.2663860856345 3.669978642540407 3.407792348236648 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A UXP-5_1 5.961736721079985 70.72439015623678 0.794788684940676 3.586901649969533 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A UXP-5_1 5.961997949465021 50.93696854478142 0.5407871219426941 3.796721023031395 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A UXP-5_1 5.961437733479668 125.3901491349196 2.056347347513177 2.457926414270149 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A UXP-5_2 5.966174136739556 52.27114038424278 1.074391765116241 1.82038703875156 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A UXP-5_2 5.966390502619191 44.88717028889616 0.8179341841715662 1.915937016357709 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A UXP-5_2 5.96637826081934 33.37795940788423 0.5812454806936247 2.011335911256397 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A UXP-5_2 5.966044680675322 46.88759162265953 0.730096970940364 2.282233878562027 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A UXP-5_2 5.966208981400232 69.82365058284981 1.188484636892683 2.118381894346919 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A UXP-5_2 5.970543553664427 14.33401861708577 0.2547978354417558 2.044586965685786 06_B2_SI_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A UXP-5_2 5.964995782084463 49.84118997779673 0.8579979759143909 2.068099024587254 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A UXP-5_2 5.965952286597877 74.16046504762966 1.393354441143403 2.007818150639169 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A UXP-5_2 5.9657919925997 56.65538847058329 1.02359274430392 2.075732627208024 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A UXP-5_2 5.965924566774997 56.09203329094129 1.199087856828039 1.734864446825548 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A UXP-5_2 5.966030373593928 212.4042060333044 3.519197918414636 2.199009917229335 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A UXP-5_2 5.965285291542378 34.96673904000401 0.6765333031104735 1.851565115325836 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A UXP-5_2 5.965539373206926 16.56061574768726 0.3348063951525913 1.752664782328549 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A UXP-5_2 5.965699734937547 129.5477973681238 1.954254016115759 2.356482330107914 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A UXP-5_3 5.97094838465314 51.9209464642563 1.308795544512779 1.657391888423303 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A UXP-5_3 5.971144362864709 32.8451500702662 0.9195123385981205 1.541911408074617 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A UXP-5_3 5.971397619614851 33.56189306043157 0.7918245910584285 1.636858376427007 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A UXP-5_3 5.971016823745454 21.7809299757416 0.5603086115691179 1.553937693540478 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A UXP-5_3 5.971241517205392 24.19098889790529 0.7554880484890463 1.399609091854869 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A UXP-5_3 5.975874386902579 18.11758477845957 0.2442580900387791 2.706316579211555 06_B2_SI_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A UXP-5_3 5.970628095895267 47.42405424829891 0.8799591426117815 2.089569977781033 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A UXP-5_3 5.970900005700749 66.8083479091174 1.530572776540215 1.802852411155239 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A UXP-5_3 5.97100807691091 46.45403115403035 1.038507714051664 1.892983648166286 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A UXP-5_3 5.971348586009818 71.85790962589961 1.747087846162531 1.696700324300379 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A UXP-5_3 5.970697521910923 197.6805663866847 3.908218891872961 1.987094189030472 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A UXP-5_3 5.971275538648136 43.84130461505563 0.7665069686614885 2.241785917044872 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A UXP-5_3 5.970330892861546 11.06893558446306 0.3295882500069068 1.452675953331161 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A UXP-5_3 5.970653038790098 103.5439006808285 1.924090557141649 2.142005208698758 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A UXP-5_4 5.976279184775203 73.75146554607201 1.141402836255691 2.650615947208316 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A UXP-5_4 5.976258892703433 66.69686204133659 1.083131508446871 2.484229712404986 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A UXP-5_4 5.976841870097629 40.77846916074271 0.7159874731706387 2.57178294264784 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A UXP-5_4 5.976296422120841 51.6790786398122 0.7783671742311233 2.5832568534364 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A UXP-5_4 5.976578606747457 84.06570361999363 1.314226372003678 2.532050113148217 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A UXP-5_4 5.978220080018936 7.938193307212116 0.2086130849940498 1.451260546460097 06_B2_SI_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A UXP-5_4 5.977209510545428 25.10130684438341 0.6711487767788145 1.458395856714469 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A UXP-5_4 5.976219898779462 105.8973464297792 1.578608791570432 2.785394323910736 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A UXP-5_4 5.976472335382547 78.11879220833526 1.131165313157927 2.949033278548734 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A UXP-5_4 5.976602504422711 98.07147063955176 1.444079242009555 2.792477514794734 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A UXP-5_4 5.976263008194834 317.7108648229291 4.189621468380861 3.025116351701474 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A UXP-5_4 5.976464317838136 38.36871929482135 0.6178478543785104 2.598374823173334 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A UXP-5_4 5.975595457166468 37.01543281418315 0.580671374600147 2.388723557668164 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A UXP-5_4 5.976033297539789 99.4639602498223 1.778534023259078 2.387523895935766 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A UXP-6_1 7.87765732709187 31.86038248761477 0.6865547648424478 1.589457194011078 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A UXP-6_1 7.877996281423021 35.41589521211806 0.7238647581161712 1.733254817451762 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A UXP-6_1 7.878048088125499 27.578465324663 0.4496972381732837 2.108033413807795 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A UXP-6_1 7.877697451458707 23.07661767036338 0.3150039883275829 2.330691707547685 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A UXP-6_1 7.877960461714302 30.4669148026646 0.6441625202394936 1.691350450846154 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A UXP-6_1 7.878572876742839 5.717529137476772 0.1196596723849109 2.278689942513437 06_B2_SI_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A UXP-6_1 7.877147717620276 28.93107401134019 0.25 4.664729671882361 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A UXP-6_1 7.877724724315768 30.43440541924749 0.6852836741117841 1.612754820894539 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A UXP-6_1 7.877956705649825 22.02180731500327 0.3573602617254933 2.150194082083951 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A UXP-6_1 7.878068116359631 51.02426876123664 1.006483920760926 1.768890337977329 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A UXP-6_1 7.877866483842352 99.4173741966008 2.064113316948078 1.70203191089873 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A UXP-6_1 7.878099240199035 13.17164715816308 0.280228013850937 1.640059110491976 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A UXP-6_1 7.877418127422851 13.30314252667923 0.16 2.901116858649373 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A UXP-6_1 7.87732 20.67785 0.37 1.95 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A UXP-6_2 7.891104070405651 34.55831090887282 0.6931827724068964 1.711741565402409 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A UXP-6_2 7.891595697026588 67.71563874768601 0.71 3.327833521595404 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A UXP-6_2 7.891774335030826 18.63856820300072 0.3754750862474575 1.736619675227723 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A UXP-6_2 7.891279119379068 34.89563031032164 0.28 4.348545087145167 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A UXP-6_2 7.89144735820916 31.47597122911293 0.6547185628190231 1.662012221940648 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A UXP-6_2 7.890438434019357 6.830256912670134 0.128590020340166 1.993509352529447 06_B2_SI_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A UXP-6_2 7.890603385820516 12.64103332459048 0.13 3.8563724029051 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A UXP-6_2 7.891245923445336 30.64317772471214 0.679512099446059 1.660932685069742 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A UXP-6_2 7.891497486442802 20.37166996202756 0.3980656773362234 1.87897645573194 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A UXP-6_2 7.891514453133044 46.89125533574845 0.9758161751863573 1.682577680573455 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A UXP-6_2 7.891413084429036 90.89773253420367 1.948551234165472 1.64426606277008 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A UXP-6_2 7.891630007537731 48.00233938550733 0.28 5.981847447661103 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A UXP-6_2 7.890432358807659 12.36134850891407 0.15 2.875448232009308 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A UXP-6_2 7.89092 30.711551 0.38 2.82 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Val-B_1 1.028579794124401 1290.585988613903 18.84102038666407 2.26070299979712 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Val-B_1 1.028807466231523 3232.30229750429 30.96854600085997 3.400603204668368 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Val-B_1 1.028800126636599 240.4994891679021 4.240993695946957 1.99585589412435 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Val-B_1 1.028641962527627 1212.439004604305 14.54409354859346 2.832829852679808 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Val-B_1 1.028799958934069 827.9396913635424 11.94856835452067 2.313829392541354 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Val-B_1 1.028412085160811 503.2568903391449 5.658656447398301 3.142862035810978 06_B2_SI_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Val-B_1 1.027880081454167 252.5651646187316 4.636631162762546 1.935640031284176 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Val-B_1 1.028626442510997 2235.880751331349 23.68566278384292 3.145327880558912 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Val-B_1 1.02884015393485 760.8683738360777 8.989258383296931 2.826405108104685 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Val-B_1 1.029041976055622 350.1852342849955 6.474646691296488 1.900977922536581 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Val-B_1 1.028676195017079 4726.468431513919 39.30463504697742 4.086394055684214 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Val-B_1 1.028799958934069 1183.4019373362 13.82708147651935 2.880163682840891 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Val-B_1 1.028096563824311 648.3159914873706 8.21955867066237 2.720492913775261 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Val-B_1 1.028530291809123 2701.544720546839 30.8085978619905 2.853119933165962 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Val-B_1 1.028811804254163 69.33484446636643 0.8425031218056338 3.120385684206259 15_C1-20_SI_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Val-B_2 1.04034025219265 754.1059998756954 14.14959408140138 1.869778077570617 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Val-B_2 1.040299570697463 726.6485454127265 12.74950399448842 2.016286059710268 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Val-B_2 1.040464684767996 217.6497318178868 4.103400141703195 1.90169498445164 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Val-B_2 1.040085464585836 509.9604164678766 9.208401775238254 1.956682618160874 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Val-B_2 1.040475689494531 452.9851804821247 8.801451626414952 1.835465874213459 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Val-B_2 1.03958853409745 208.6752654052075 3.665396715532396 2.023707419145937 06_B2_SI_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Val-B_2 1.039606150859991 256.0910550283559 4.66642836070904 1.938105947314661 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Val-B_2 1.040501453774337 445.2230213199404 9.161660450972466 1.791657481004278 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Val-B_2 1.040368717814235 353.6855592618063 5.88917038754648 2.095531386368132 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Val-B_2 1.040767384980234 339.5092505736989 6.529237575125269 1.83134407093957 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Val-B_2 1.041169106874414 1173.656002337409 21.93535900240661 1.899724732399462 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Val-B_2 1.040343767858847 529.1886012150487 8.55508213547903 2.165668944161048 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Val-B_2 1.039537417843946 283.6727466876761 4.884826138759884 2.035663686828864 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Val-B_2 1.040332703917216 1073.62702944954 19.24356435237001 2.000297139971559 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Val-B_2 1.039844412238213 30.5159735217974 0.5825214074268804 1.878200418939771 15_C1-20_SI_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A aGlc 13C-A_1 5.083785248832822 191.4735346154495 0.5796334703618796 10.93993362715372 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A aGlc 13C-A_1 5.079007089088853 103.6376329214198 0.2898850199040855 11.26185709970944 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A aGlc 13C-A_1 5.071964331331756 138.6494962713251 0.3406196549256908 12.60181388988654 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A aGlc 13C-A_1 5.081672955564516 121.348566469762 0.4224519827893259 9.488723465477245 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A aGlc 13C-A_1 5.079463534931895 1025.661626835546 0.8673830217106294 39.42412941649327 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A aGlc 13C-A_1 5.077272877776169 298.3928543070118 0.5341967348248189 20.28603759122846 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A aGlc 13C-A_1 5.08083050776532 226.0616185531545 0.703149123078578 11.32432601288599 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A aGlc 13C-A_1 5.080948068248643 352.6442046839089 0.8769943185701522 14.42712481433218 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A aGlc 13C-A_1 5.075541173624377 513.3483404900426 1.526178793544867 11.13951123428768 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A aGlc 13C-B_1 5.359080944857689 22.61592068637675 0.2171053407665048 4.9678616450242 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A aGlc 13C-B_1 5.359090146190566 68.88302121060885 0.2796218541919631 10.3711411922436 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A aGlc 13C-B_1 5.359006997900955 142.894506987927 0.5451537179082583 10.0300130426484 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A aGlc 13C-B_1 5.36444670207248 119.6474962497255 0.4489415049459557 12.70292090588644 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A aGlc 13C-B_1 5.369008473357386 300.6969521470475 1.244849519481298 8.334339990370053 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A aGlc 13C-B_1 5.36010145655765 188.8436033743301 0.7123094433258315 10.68060911644217 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A aGlc 13C-B_1 5.35804328426291 34.07617918135475 0.29 4.1 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A aGlc 13C-B_1 5.35955 146.623257 0.754442 6.781225 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A aGlc 13C-B_1 5.35409 11.345824 0.162557 2.813403 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A aGlc 13C-B_1 5.35891 423.77528 1.619479 9.316535 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A aGlc 13C-B_2 5.35745 6.589227 0.176947 1.374019 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A aGlc 13C-B_3 5.36104 7.614917 0.208943 1.308314 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A aGlc_1 5.220158000471538 214.7011801441891 3.15573634256703 2.352950752784662 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A aGlc_1 5.220006235754195 91.86198219755474 1.506281804071828 2.192906323318175 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A aGlc_1 5.219995283498024 39.96142921650038 0.7524669056625978 2.015015581826813 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A aGlc_1 5.219718676314893 63.72115562265136 1.088509601156155 2.136090762912266 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A aGlc_1 5.220176372908048 57.58547063411984 0.9654771786969785 2.168564565095945 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A aGlc_1 5.219020355176929 13.12872529661521 0.2483381664838849 1.929474712274751 06_B2_SI_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A aGlc_1 5.2192582483463 106.5179000196393 1.739582270693905 2.195352265045527 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A aGlc_1 5.220422713928501 140.534553154712 2.227369972857679 2.239566511527646 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A aGlc_1 5.220123483942942 129.3986215381855 2.028678660212002 2.331470717018144 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A aGlc_1 5.220518689010065 59.90683956549704 0.9978125698895797 2.152553884215488 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A aGlc_1 5.221462588414289 290.537255140984 4.818915805471115 2.181414609553087 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A aGlc_1 5.219859830705549 35.9442132918259 0.5730811809799146 2.318588607829767 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A aGlc_1 5.219011129164863 25.84423768497258 0.4140892260345219 2.192354750360108 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A aGlc_1 5.220413891983183 51.28587126829759 0.8414642685774247 2.247054601697405 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A aGlc_2 5.226451126575728 209.215550232229 3.233783200246326 2.309745941509179 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A aGlc_2 5.226334581174861 82.12528065776698 1.409075154729042 2.148301384366588 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A aGlc_2 5.226394299091294 53.77567433994117 0.8139880922094138 2.328535424516608 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A aGlc_2 5.226020757600923 68.04221445520818 1.071655907189599 2.218528847567605 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A aGlc_2 5.226503924777849 59.08528316552303 0.9596969123007411 2.153640753488233 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A aGlc_2 5.22547023788278 13.56168880455598 0.26 1.82 06_B2_SI_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A aGlc_2 5.225458672643902 102.9610172345477 1.677668312570456 2.207319115001594 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A aGlc_2 5.226636722242168 141.0767838028924 2.150449984171019 2.29069049191963 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A aGlc_2 5.226290148665822 148.6593952686448 2.047608540733545 2.54288321180088 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A aGlc_2 5.226880345048785 71.90524467720655 0.9906095633172797 2.468867473796995 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A aGlc_2 5.227745175071847 274.4017035185142 4.728014296378453 2.09082656851549 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A aGlc_2 5.226332827253636 35.52055210385738 0.5507744278008505 2.37770245544265 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A aGlc_2 5.2253829780731 26.47280314058483 0.4169800789946307 2.266691494020219 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A aGlc_2 5.226593252550335 61.14597771561256 0.8584585102365905 2.470698888064859 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A bGlc 13C-A_1 4.495908558058913 252.9822042119232 4.520387124208594 1.978503219325747 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A bGlc 13C-A_1 4.495964839123451 227.5415897894785 3.823467542010091 2.118086931236971 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A bGlc 13C-A_1 4.496256810883123 196.77430177852 3.311149006769312 2.100051304976714 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A bGlc 13C-A_1 4.495915814299893 97.93454065275176 2.104037825425753 1.773982592911804 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A bGlc 13C-A_1 4.496106502026864 248.8143162753687 4.190422138092212 2.068581487945066 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A bGlc 13C-A_1 4.49550323702866 44.91885446299755 0.6683510227927296 2.362080347717776 06_B2_SI_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A bGlc 13C-A_1 4.495257794941799 198.5884204528673 3.233970768589797 2.15874838918242 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A bGlc 13C-A_1 4.495924764667554 499.1544734808294 7.778840102072594 2.238984487456564 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A bGlc 13C-A_1 4.495903679562915 313.4603199532605 4.416927949011387 2.450908943076648 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A bGlc 13C-A_1 4.496334251534055 296.9074087134512 5.052434972417551 2.082034197280363 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A bGlc 13C-A_1 4.496088559469958 698.246377702899 11.02214429138671 2.221066307007205 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A bGlc 13C-A_1 4.496073577500382 132.7807201364608 2.161360943042251 2.143574992723389 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A bGlc 13C-A_1 4.495302633163586 124.7815049505829 2.102094060201974 2.063841294697877 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A bGlc 13C-A_1 4.495437648424412 977.3025161705932 9.379686654341421 3.333340426529869 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A bGlc 13C-A_1 4.50306 61.073316 0.442526 4.246585 15_C1-20_SI_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A bGlc 13C-A_2 4.501309780681662 253.8928274076916 4.009750634051362 2.209347494397177 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A bGlc 13C-A_2 4.501365283387651 156.8975104190518 2.674694906954412 2.085983335048145 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A bGlc 13C-A_2 4.501641695111836 133.6733936875078 2.426268704077728 1.955775075565018 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A bGlc 13C-A_2 4.504465587199663 422.2007808759199 3.687272779097913 5.12207245065496 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A bGlc 13C-A_2 4.501628523717139 192.7208831834839 3.250436713939401 2.06879769620857 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A bGlc 13C-A_2 4.503801559389336 137.0028350231133 0.9752573530606616 4.887795236336936 06_B2_SI_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A bGlc 13C-A_2 4.500933932764124 187.9023133362637 2.740227749101734 2.442217845653235 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A bGlc 13C-A_2 4.501388254126279 346.0969717537569 5.757755431006713 2.140430014095833 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A bGlc 13C-A_2 4.501374613276161 111.2755906733287 2.196649505570618 1.84321786392989 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A bGlc 13C-A_2 4.501790928947877 335.6033833017118 4.870672672350545 2.399731571023748 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A bGlc 13C-A_2 4.50158701824919 593.4331072973309 8.871721045220061 2.327348466207002 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A bGlc 13C-A_2 4.504533474044074 426.3829778907756 3.693914306850928 4.107745882363881 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A bGlc 13C-A_2 4.504678915475223 509.7699894709223 4.460229440875745 4.172068660426163 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A bGlc 13C-A_2 4.501160903985422 388.822173397482 5.540584053223962 2.448648443409074 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A bGlc 13C-A_3 4.504410517060089 327.6572530459222 5.101163770148091 2.238458970980309 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A bGlc 13C-A_3 4.504860043714513 430.4423414094767 4.953921678842724 3.134955235178277 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A bGlc 13C-A_3 4.505074264088344 345.9393894183855 4.279532257908729 2.926101921269982 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A bGlc 13C-A_3 4.509449303083847 156.638041727261 3.025275713247409 1.887585007833615 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A bGlc 13C-A_3 4.505561936410602 405.5644345007961 5.844022955176168 2.95473551715621 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A bGlc 13C-A_3 4.509116275720218 39.83442799995664 0.6975451092386635 2.075974749389729 06_B2_SI_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A bGlc 13C-A_3 4.505166148407969 500.2508063823164 7.33575773271603 2.52087420002211 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A bGlc 13C-A_3 4.50436371059927 560.1428920149511 7.598108563847043 2.505189513568401 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A bGlc 13C-A_3 4.504946176929496 592.1492025031777 5.857556693555481 3.566413664433087 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A bGlc 13C-A_3 4.504848053550868 332.0302711236404 5.259733346056312 2.191747938849729 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A bGlc 13C-A_3 4.504530664935426 659.3324960490819 10.13027998697919 2.260581888217749 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A bGlc 13C-A_3 4.509852251923626 188.8515051599258 2.944050734879268 2.231656252726022 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A bGlc 13C-A_3 4.508869419949447 268.8069409315264 4.052593335517107 2.159251726571632 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A bGlc 13C-A_3 4.504177285285568 454.168721233176 6.697259106203775 2.366197988784346 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A bGlc 13C-A_4 4.506316431086376 149.3768866004246 3.141407194151177 1.615870006716074 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A bGlc 13C-A_4 4.509683255044697 345.0138283593781 5.443480371537287 2.14567413512224 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A bGlc 13C-A_4 4.509960972708297 260.9112918599321 4.135787466051555 2.217203712594392 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A bGlc 13C-A_4 4.50979285152938 361.8979794698057 6.610494095889144 1.908812873025481 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A bGlc 13C-A_4 4.508909195514719 412.0466522263345 7.91857737661848 1.829303066736884 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A bGlc 13C-A_4 4.506507827219435 745.3453600329113 14.6445478275511 1.773183144181816 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A bGlc 13C-A_4 4.509733989198887 399.8038552859543 5.858855741888666 2.312634983304032 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A bGlc 13C-A_4 4.506794143432121 370.4566802251872 8.23649409693542 1.582096354322476 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A bGlc 13C-A_4 4.507360052707927 1116.100847843423 20.81978376889685 1.832530126703213 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A bGlc 13C-A_4 4.761095689005052 561.0042904752135 5.138830817523391 3.840043725947933 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A bGlc 13C-A_4 4.506522440078654 777.6670205449524 13.03548865133848 2.064600005763234 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A bGlc 13C-A_5 4.509657894898343 395.9537197077775 7.226885606417501 1.908671363713052 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A bGlc 13C-A_5 4.509732688497445 1013.533896972013 20.24518962312752 1.772157235205392 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A bGlc 13C-A_5 4.510015134660332 711.9728438282059 13.16174132871307 1.875518419579989 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A bGlc 13C-A_5 4.510401920592949 1260.051931086846 26.73307860361378 1.684357833976527 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A bGlc 13C-A_5 4.768630656061839 358.3210477231824 4.436531768314398 2.842943452538808 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A bGlc 13C-A_5 4.509639041216285 752.5497302266969 14.75696284161401 1.815491738540197 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A bGlc 13C-B_1 4.762326157595586 427.0421846975617 6.155006264565883 2.468269401247616 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A bGlc 13C-B_1 4.76235056894258 381.4585122832002 5.015102697845284 2.677247095920182 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A bGlc 13C-B_1 4.761688226095464 536.7862335122219 5.701721601773801 3.753636929491907 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A bGlc 13C-B_1 4.761492483741542 417.0294520575814 4.652573832840568 3.5106400365808 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A bGlc 13C-B_1 4.762543523894264 369.4100459501281 5.371426372016201 2.432453520563338 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A bGlc 13C-B_1 4.760964206509644 159.4095642147705 1.812057810860078 3.382324821035759 06_B2_SI_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A bGlc 13C-B_1 4.761638763395954 328.8241584662616 4.850672096339363 2.430459528495108 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A bGlc 13C-B_1 4.7624249806742 691.7020861926524 9.023722720227916 2.64411993024439 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A bGlc 13C-B_1 4.762373908102195 466.1521347412487 6.173681935156467 2.707135662834842 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A bGlc 13C-B_1 4.762762229201247 429.875413697427 5.968156584515649 2.567399151488655 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A bGlc 13C-B_1 4.767444588040585 1769.018513117895 23.79448407395263 2.594101989135431 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A bGlc 13C-B_1 4.762377266988754 307.0672697835317 3.508351679000237 3.019587944590411 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A bGlc 13C-B_1 4.75855802358596 175.9898744277671 3.051625995710737 2.053448020477709 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A bGlc 13C-B_1 4.769504291534075 18.83272151998571 0.2467198402569499 2.567985323949113 15_C1-20_SI_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A bGlc 13C-B_2 4.768574317493291 885.2500378585698 10.4844775627714 3.053123270457033 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A bGlc 13C-B_2 4.77735498272574 165.5139863397343 2.93940019422762 2.084975323510343 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A bGlc 13C-B_2 4.769399030670662 581.4528641385906 7.66185760979455 2.656141989073943 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A bGlc 13C-B_2 4.769025259881576 451.0118106017744 5.758784668847776 2.765192603098146 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A bGlc 13C-B_2 4.76901318726869 751.7253602636167 9.893467973156291 2.678859929272826 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A bGlc 13C-B_2 4.768820597691841 125.528698810624 1.765266476300082 2.481211096664518 06_B2_SI_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A bGlc 13C-B_2 4.768267433861189 612.9992975001018 7.466317846835198 2.864735065249167 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A bGlc 13C-B_2 4.768556898747083 1223.158553371447 14.31928413790171 3.123230743367745 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A bGlc 13C-B_2 4.769152016609501 681.7560511207497 7.431975914983575 3.144896422136252 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A bGlc 13C-B_2 4.769068454899707 1041.704304321695 13.96494867923351 2.66297281642301 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A bGlc 13C-B_2 4.770229007166859 477.2413677931253 7.851761565122469 2.180918373752781 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A bGlc 13C-B_2 4.769081051371916 494.0169787249755 5.583543748193144 3.049900495976742 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A bGlc 13C-B_2 4.762459956532246 1130.867483778108 11.8308195399266 3.278103516932616 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A bGlc 13C-B_3 4.777246307850316 189.6925342796713 3.487404835567926 1.954221279635728 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A bGlc 13C-B_3 4.778088625512943 102.7110653566733 2.005361276013099 1.850282072037993 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A bGlc 13C-B_3 4.777572877149486 43.37334822031668 1.007052453162804 1.636999615657117 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A bGlc 13C-B_3 4.777739448779734 182.7949429180132 3.283314369678303 1.952905860430173 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A bGlc 13C-B_3 4.776916418905115 94.8153011473053 1.677183893065487 2.014500108962347 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A bGlc 13C-B_3 4.777203752339186 329.3247142689402 5.58608542793886 2.12092617748115 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A bGlc 13C-B_3 4.777436528324333 177.5516710419726 2.303171990162182 2.619664314911511 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A bGlc 13C-B_3 4.77787224334596 283.3778640991532 5.20104899451565 1.96161923182784 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A bGlc 13C-B_3 4.776572824650058 683.4177948336074 11.55454657431112 2.099252766149916 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A bGlc 13C-B_3 4.777710500137755 87.13788351157012 1.431434862769037 2.174380933315671 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A bGlc 13C-B_3 4.767323249996825 540.0838526662843 5.980457151628706 2.978135372323097 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A bGlc 13C-B_4 4.769619866164278 452.0862713851045 5.521890613925668 2.819156396219932 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A bGlc 13C-B_5 4.776353753858793 302.0744262848905 3.990531848702939 2.697587390424739 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A bGlc_1 4.63103817765728 376.9849800334099 6.724842910289645 1.852642889394146 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A bGlc_1 4.630903219617057 248.1063318020969 3.840606747003305 2.174024554376451 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A bGlc_1 4.630936590369626 135.2653638446227 2.033698318309849 2.198242373651144 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A bGlc_1 4.630596360716249 152.2506844202672 2.456009459582079 2.062840505213808 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A bGlc_1 4.631055547481968 156.183922055173 2.699130838819896 1.966344635405792 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A bGlc_1 4.629914366406883 29.91106004785011 0.5460807759683102 1.91119886157089 06_B2_SI_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A bGlc_1 4.630133329892931 229.1064535199754 4.140298837043803 1.938105947314661 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A bGlc_1 4.631236783588107 423.0102717795513 6.420151091134709 2.211408715170001 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A bGlc_1 4.630963485026482 343.0143302435526 5.415742766054717 2.203388099219422 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A bGlc_1 4.631436894128125 237.5071013093996 3.406948409205586 2.294900468439655 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04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A m-Ins-1,3_5 3.534289386887023 433.8626104053079 9.542988362752808 1.625864857731053 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A m-Ins-1,3_5 3.533425897333593 203.5713279984996 4.325289335196673 1.701193277226555 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A m-Ins-1,3_5 3.534598052061103 430.3147599862831 8.944651054642048 1.714933376999517 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A m-Ins-1,3_5 3.534241064774156 282.1400279248979 5.697304000282724 1.793248154469324 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A m-Ins-1,3_5 3.534726129614178 786.715132936044 15.99847788819063 1.752269529502283 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A m-Ins-1,3_5 3.534144967492995 221.6005562859413 4.958783593017258 1.631282194358805 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A m-Ins-2?_1 4.042997526531077 393.8260108680215 7.468085377878294 1.870951017897723 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A m-Ins-2?_1 4.042928040679688 265.7100043975472 4.994597337496403 1.896218256021103 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A m-Ins-2?_1 4.043145951921294 158.7425937287813 3.395772209167694 1.770131863230514 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A m-Ins-2?_1 4.042705523105028 167.8349677100751 3.290764240180658 1.840700107671255 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A m-Ins-2?_1 4.043144411924466 220.0935995136502 4.780906262244828 1.699961315156487 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A m-Ins-2?_1 4.042116449021717 48.33473584853422 0.99745055870095 1.804090151036992 06_B2_SI_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A m-Ins-2?_1 4.042243830369102 89.70022714671748 2.108264182400674 1.568628419422333 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A m-Ins-2?_1 4.043201757034613 190.4082359711296 4.600797162725022 1.596579121657629 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A m-Ins-2?_1 4.042998217939137 149.2488050592797 3.087439104945015 1.80321411921985 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A m-Ins-2?_1 4.043522255373492 353.0822920428559 7.347178944046138 1.741644151356682 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A m-Ins-2?_1 4.044547992842793 799.2677903534437 15.47456938433683 1.957934176147317 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A m-Ins-2?_1 4.042999405877584 163.7135178737527 3.211286814840065 1.87594043838693 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A m-Ins-2?_1 4.042162583084255 109.4827379278398 2.271843631457133 1.758295556234524 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A m-Ins-2?_1 4.043104050686764 374.8313604407442 7.676722160294598 1.793698542193447 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A m-Ins-2?_1 4.047070758705192 20.86939791088362 0.4296396308018025 1.662746599373465 15_C1-20_SI_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A m-Ins-2?_2 4.048020736493136 527.7570420443052 11.19857881250513 1.739002307536246 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A m-Ins-2?_2 4.047948036525447 444.0760534062098 8.856740420729366 1.835772709110725 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A m-Ins-2?_2 4.047984302817007 296.5707310650621 6.231026315239363 1.776264356452665 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A m-Ins-2?_2 4.047611168318851 235.5268097115807 5.248202376858318 1.695622259345039 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A m-Ins-2?_2 4.04806471583576 369.5842543456429 8.480003217258007 1.660448750085729 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A m-Ins-2?_2 4.046995367695141 81.55209809730353 1.769032189489953 1.718838562559885 06_B2_SI_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A m-Ins-2?_2 4.047121514773749 189.0570194576913 4.240969894755498 1.681113700913625 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A m-Ins-2?_2 4.048149810018173 406.5461897544266 9.027847719433602 1.708349478623029 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A m-Ins-2?_2 4.047945513445477 252.2622507084739 5.694509466581146 1.694913922476478 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A m-Ins-2?_2 4.048443926274315 664.7020765959069 13.59560795263854 1.804681288701828 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A m-Ins-2?_2 4.049176720925279 973.5176347206291 19.64433986491921 1.833321395863453 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A m-Ins-2?_2 4.047924710949402 268.0117865779204 5.753991779556078 1.761262822843519 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A m-Ins-2?_2 4.047061625938083 207.9571847327852 4.235510603816757 1.796784516059169 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A m-Ins-2?_2 4.048109398234569 713.214646409362 13.11410664483716 1.969935035090368 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A m-Ins-2?_2 4.051508067358965 20.79002868283658 0.3389035954910335 2.084616459568514 15_C1-20_SI_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A m-Ins-2?_3 4.052503509013504 443.4294913873521 6.47945614117359 2.397245589910647 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A m-Ins-2?_3 4.052420012080846 262.0406375163389 4.796783651528002 2.014049235384054 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A m-Ins-2?_3 4.052538797486021 284.7951060561016 4.141288883161166 2.352399780793576 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A m-Ins-2?_3 4.052051719254782 287.6678000443574 4.002643106229978 2.448680429558752 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A m-Ins-2?_3 4.052569161738385 347.2011720470094 5.400341212132553 2.251350752952606 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A m-Ins-2?_3 4.051414237084896 91.92946852871253 1.48355967432693 2.139018163142349 06_B2_SI_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A m-Ins-2?_3 4.051505972805665 196.8354153300507 3.08939078456887 2.223112064861475 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A m-Ins-2?_3 4.052424577364322 412.8778869897301 5.931786076805972 2.413653581107625 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A m-Ins-2?_3 4.052352128145619 291.9901871564579 4.012193738151686 2.488394216766236 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A m-Ins-2?_3 4.052912375436301 649.097800906041 9.307320236327055 2.493675178873046 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A m-Ins-2?_3 4.053523787174919 1420.287504745844 13.75165241220978 3.564221844276712 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A m-Ins-2?_3 4.052412413253819 298.7166347638519 4.173661696826204 2.432144728469981 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A m-Ins-2?_3 4.051520915992407 192.6282062726033 2.981759491940884 2.263780471199246 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A m-Ins-2?_3 4.052294942177413 639.2218454743016 9.325563311689793 2.474131774423771 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A pyruvate-3_1 2.370917823395083 295.3489090346615 5.422348937512477 1.900548122935945 01_A0_SI_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A pyruvate-3_1 2.370662149708828 146.1382902070493 2.287342819813548 2.258092595423913 02_A1_SI_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A pyruvate-3_1 2.370514542918142 62.60288147950825 0.846369689662215 2.656317758758809 03_A2_SI_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A pyruvate-3_1 2.37002054745907 219.7681227694612 3.35454456621832 2.415364613039719 04_B0_SI_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A pyruvate-3_1 2.370748633892661 140.7994660493057 2.366394660852138 2.133243469931555 05_B1_SI_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A pyruvate-3_1 2.368996622931884 38.11927086503853 0.5617425436538894 2.574732226825102 06_B2_SI_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A pyruvate-3_1 2.370208519636682 72.85947620984581 1.043958751373306 2.435194571042801 07_C1-1_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A pyruvate-3_1 2.371295123137389 246.2589477802811 4.362726970608343 1.939659299788323 08_C1-2_SI_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A pyruvate-3_1 2.370853836666563 121.0230571229069 1.567020713474952 2.76898100133443 09_C2-0_SI_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A pyruvate-3_1 2.371167345754996 196.6927658238943 3.290616384212799 2.203616132691089 10_B1-0_SI_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A pyruvate-3_1 2.372514305427096 462.8989172251293 6.809019572504263 2.423420482506817 11_B1-1_SI_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A pyruvate-3_1 2.37081049599369 118.6911283085136 1.553888209418506 2.665197814202947 12_B1-2_SI_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A pyruvate-3_1 2.369765845082751 109.602977189766 1.412233595626674 2.940318702289687 13_C1-1_SI_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A pyruvate-3_1 2.37142114301353 153.1601091339298 2.679923982231408 1.994133150988083 14_C1-2_SI_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A EXTENDED_NMR_METABOLITE_DATA_END #END