#METABOLOMICS WORKBENCH huntermoseley_20200822_085305 DATATRACK_ID:2141 STUDY_ID:ST001461 ANALYSIS_ID:AN002436 PROJECT_ID:000000 VERSION 1 CREATED_ON August 26, 2020, 5:24 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 - Plasma 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 - 14_C1-2_Plasma_allogenic_7days_170427_UKy_GCH_rep2-acetone-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_Plasma_allogenic_7days_170427_UKy_GCH_rep2; protocol.id=['mouse_tissue_collection']; lineage_3=14_C1-2_Plasma_allogenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A; protocol.id=['acetone_extraction', 'NMR_file_storage89']; replicate=1; weight=0.04499999999999993; weight%units=g; RAW_FILE_NAME=14_C1-2_13C6-Glc_UKy_GCH_Ms_plasma_PRESAT_01.fid/fid SUBJECT_SAMPLE_FACTORS - 11_B1-1_Plasma_syngenic_7days_170427_UKy_GCH_rep2-acetone-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_Plasma_syngenic_7days_170427_UKy_GCH_rep2; protocol.id=['mouse_tissue_collection']; lineage_3=11_B1-1_Plasma_syngenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A; protocol.id=['acetone_extraction', 'NMR_file_storage86']; replicate=1; weight=0.04800000000000004; weight%units=g; RAW_FILE_NAME=11_B1-1_13C6-Glc_UKy_GCH_Ms_plasma_PRESAT_01.fid/fid SUBJECT_SAMPLE_FACTORS - 05_B1_Plasma_syngenic_42days_170427_UKy_GCH_rep2-acetone-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_Plasma_syngenic_42days_170427_UKy_GCH_rep2; protocol.id=['mouse_tissue_collection']; lineage_3=05_B1_Plasma_syngenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A; protocol.id=['acetone_extraction', 'NMR_file_storage80']; replicate=1; weight=0.040999999999999925; weight%units=g; RAW_FILE_NAME=05_B1_13C6-Glc_UKy_GCH_Ms_plasma_PRESAT_01.fid/fid SUBJECT_SAMPLE_FACTORS - 15_C1-20_Plasma_allogenic_7days_170427_UKy_GCH_rep3-acetone-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_Plasma_allogenic_7days_170427_UKy_GCH_rep3; protocol.id=['mouse_tissue_collection']; lineage_3=15_C1-20_Plasma_allogenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A; protocol.id=['acetone_extraction', 'NMR_file_storage90']; replicate=1; weight=0.04600000000000004; weight%units=g; RAW_FILE_NAME=15_C1-20_13C6-Glc_UKy_GCH_Ms_plasma_PRESAT_01.fid/fid SUBJECT_SAMPLE_FACTORS - 04_B0_Plasma_syngenic_42days_170427_UKy_GCH_rep1-acetone-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_Plasma_syngenic_42days_170427_UKy_GCH_rep1; protocol.id=['mouse_tissue_collection']; lineage_3=04_B0_Plasma_syngenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A; protocol.id=['acetone_extraction', 'NMR_file_storage79']; replicate=1; weight=0.04800000000000004; weight%units=g; RAW_FILE_NAME=04_B0_13C6-Glc_UKy_GCH_Ms_plasma_PRESAT_01.fid/fid SUBJECT_SAMPLE_FACTORS - 08_C1-2_Plasma_allogenic_42days_170427_UKy_GCH_rep2-acetone-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_Plasma_allogenic_42days_170427_UKy_GCH_rep2; protocol.id=['mouse_tissue_collection']; lineage_3=08_C1-2_Plasma_allogenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A; protocol.id=['acetone_extraction', 'NMR_file_storage83']; replicate=1; weight=0.04400000000000004; weight%units=g; RAW_FILE_NAME=08_C1-2_13C6-Glc_UKy_GCH_Ms_plasma_PRESAT_01.fid/fid SUBJECT_SAMPLE_FACTORS - 13_C1-1_Plasma_allogenic_7days_170427_UKy_GCH_rep1-acetone-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_Plasma_allogenic_7days_170427_UKy_GCH_rep1; protocol.id=['mouse_tissue_collection']; lineage_3=13_C1-1_Plasma_allogenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A; protocol.id=['acetone_extraction', 'NMR_file_storage88']; replicate=1; weight=0.04800000000000004; weight%units=g; RAW_FILE_NAME=13_C1-1_13C6-Glc_UKy_GCH_Ms_plasma_PRESAT_01.fid/fid SUBJECT_SAMPLE_FACTORS - 07_C1-1_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-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_Plasma_allogenic_42days_170427_UKy_GCH_rep1; protocol.id=['mouse_tissue_collection']; lineage_3=07_C1-1_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A; protocol.id=['acetone_extraction', 'NMR_file_storage82']; replicate=1; weight=0.040000000000000036; weight%units=g; RAW_FILE_NAME=07_C1-1_13C6-Glc_UKy_GCH_Ms_plasma_PRESAT_01.fid/fid SUBJECT_SAMPLE_FACTORS - 01_A0_Plasma_naive_0days_170427_UKy_GCH_rep1-acetone-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_Plasma_naive_0days_170427_UKy_GCH_rep1; protocol.id=['mouse_tissue_collection']; lineage_3=01_A0_Plasma_naive_0days_170427_UKy_GCH_rep1-acetone-NMR_A; protocol.id=['acetone_extraction', 'NMR_file_storage76']; replicate=1; weight=0.04800000000000004; weight%units=g; RAW_FILE_NAME=01_A0_13C6-Glc_UKy_GCH_Ms_plasma_PRESAT_01.fid/fid SUBJECT_SAMPLE_FACTORS - 03_A2_Plasma_naive_0days_170427_UKy_GCH_rep3-acetone-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_Plasma_naive_0days_170427_UKy_GCH_rep3; protocol.id=['mouse_tissue_collection']; lineage_3=03_A2_Plasma_naive_0days_170427_UKy_GCH_rep3-acetone-NMR_A; protocol.id=['acetone_extraction', 'NMR_file_storage78']; replicate=1; weight=0.04600000000000004; weight%units=g; RAW_FILE_NAME=03_A2_13C6-Glc_UKy_GCH_Ms_plasma_PRESAT_01.fid/fid SUBJECT_SAMPLE_FACTORS - 06_B2_Plasma_syngenic_42days_170427_UKy_GCH_rep3-acetone-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_Plasma_syngenic_42days_170427_UKy_GCH_rep3; protocol.id=['mouse_tissue_collection']; lineage_3=06_B2_Plasma_syngenic_42days_170427_UKy_GCH_rep3-acetone-NMR_A; protocol.id=['acetone_extraction', 'NMR_file_storage81']; replicate=1; weight=0.04800000000000004; weight%units=g; RAW_FILE_NAME=06_B2_13C6-Glc_UKy_GCH_Ms_plasma_PRESAT_01.fid/fid SUBJECT_SAMPLE_FACTORS - 12_B1-2_Plasma_syngenic_7days_170427_UKy_GCH_rep3-acetone-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_Plasma_syngenic_7days_170427_UKy_GCH_rep3; protocol.id=['mouse_tissue_collection']; lineage_3=12_B1-2_Plasma_syngenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A; protocol.id=['acetone_extraction', 'NMR_file_storage87']; replicate=1; weight=0.04400000000000004; weight%units=g; RAW_FILE_NAME=12_B1-2_13C6-Glc_UKy_GCH_Ms_plasma_PRESAT_01.fid/fid SUBJECT_SAMPLE_FACTORS - 02_A1_Plasma_naive_0days_170427_UKy_GCH_rep2-acetone-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_Plasma_naive_0days_170427_UKy_GCH_rep2; protocol.id=['mouse_tissue_collection']; lineage_3=02_A1_Plasma_naive_0days_170427_UKy_GCH_rep2-acetone-NMR_A; protocol.id=['acetone_extraction', 'NMR_file_storage77']; replicate=1; weight=0.04600000000000004; weight%units=g; RAW_FILE_NAME=02_A1_13C6-Glc_UKy_GCH_Ms_plasma_PRESAT_01.fid/fid SUBJECT_SAMPLE_FACTORS - 09_C2-0_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-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_Plasma_allogenic_42days_170427_UKy_GCH_rep1; protocol.id=['mouse_tissue_collection']; lineage_3=09_C2-0_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A; protocol.id=['acetone_extraction', 'NMR_file_storage84']; replicate=1; weight=0.04499999999999993; weight%units=g; RAW_FILE_NAME=09_C2-0_13C6-Glc_UKy_GCH_Ms_plasma_PRESAT_01.fid/fid SUBJECT_SAMPLE_FACTORS - 10_B1-0_Plasma_syngenic_7days_170427_UKy_GCH_rep1-acetone-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_Plasma_syngenic_7days_170427_UKy_GCH_rep1; protocol.id=['mouse_tissue_collection']; lineage_3=10_B1-0_Plasma_syngenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A; protocol.id=['acetone_extraction', 'NMR_file_storage85']; replicate=1; weight=0.04800000000000004; weight%units=g; RAW_FILE_NAME=10_B1-0_13C6-Glc_UKy_GCH_Ms_plasma_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 acetone extraction of polar metabolites SP:SAMPLEPREP_PROTOCOL_ID acetone_extraction SP:SAMPLEPREP_PROTOCOL_FILENAME 4A2_Media_Extraction_with_acetone_ppt_step.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 14_C1-2_Plasma_allogenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A 11_B1-1_Plasma_syngenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A 05_B1_Plasma_syngenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A 15_C1-20_Plasma_allogenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A 04_B0_Plasma_syngenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A 08_C1-2_Plasma_allogenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A 13_C1-1_Plasma_allogenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A 07_C1-1_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A 01_A0_Plasma_naive_0days_170427_UKy_GCH_rep1-acetone-NMR_A 03_A2_Plasma_naive_0days_170427_UKy_GCH_rep3-acetone-NMR_A 06_B2_Plasma_syngenic_42days_170427_UKy_GCH_rep3-acetone-NMR_A 12_B1-2_Plasma_syngenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A 02_A1_Plasma_naive_0days_170427_UKy_GCH_rep2-acetone-NMR_A 09_C2-0_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A 10_B1-0_Plasma_syngenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A Factors Treatment Protocol:allogenic Treatment Protocol:syngenic Treatment Protocol:syngenic Treatment Protocol:allogenic Treatment Protocol:syngenic Treatment Protocol:allogenic Treatment Protocol:allogenic Treatment Protocol:allogenic Treatment Protocol:naive Treatment Protocol:naive Treatment Protocol:syngenic Treatment Protocol:syngenic Treatment Protocol:naive Treatment Protocol:allogenic Treatment Protocol:syngenic AXP-2_1 49.01803175249048 112.9468543079375 62.11436163474816 45.94789752324046 27.76475028127388 Ace-2_1 468.1904125208337 788.5217499226343 301.569471138177 286.4518975146795 227.5056005151357 583.3624288508317 487.8351262150106 655.3520095906566 1138.338793346233 299.7496947675325 427.8047119035459 1194.09868390089 1256.526158682329 547.8119118371457 325.9759123255826 Ala-3_1 437.3927818303161 1228.673371496845 463.3529834900535 571.0432847342535 1078.111523083258 692.9090982266916 557.9349604899465 860.5512804596814 994.6048094100412 697.5984979245873 562.3189944647885 675.1431106578742 678.7951049244 451.7045346616276 1009.131303520371 Ala-3_2 402.3533941439571 1082.73983256976 456.9673200685837 510.9374942949433 951.6901141754602 698.5396801033208 554.9827996032096 768.6342734408803 956.8777288736104 674.8252215786862 535.7186416076996 687.6997710708712 664.7760373404537 428.4004673225566 921.8152695440891 Ala13C-A_1 248.4127078829461 3529.988728456415 135.6919479448718 401.2706858061397 273.6278892915291 522.6658371837041 154.010178532425 100.3482974774883 193.0601623725487 321.1088741047378 391.5852573476652 301.8529223912685 220.5475535719454 143.9354318582496 207.0260029632665 Ala13C-A_2 464.5833828780729 255.3350708506148 184.651948941657 673.8909932537575 203.0292171655927 160.5903882413491 296.8177804598857 324.0448978190601 239.0659107700954 453.1096301547564 572.4800672478499 550.8490593918178 361.5890320801088 253.6228095287528 246.850912523724 Ala13C-A_3 464.1447041930255 260.37765865468 158.4850113142043 947.9976220435751 114.8906986684278 752.9933212422461 321.1861214360409 347.4665412341773 233.0140636167788 428.3633846779252 720.0790364472574 692.386000237451 198.1152718358813 175.0981593275971 175.6294378877629 Ala13C-A_4 524.1890934793947 334.8365365275324 218.6882501077636 807.7573601945245 248.8430477682837 228.0359401544083 361.9892952866101 420.9963495076839 288.7582979405385 545.1135636156561 653.9654535893995 608.654418347653 387.7889805447027 262.9036902385112 259.8381222953304 Ala13C-A_5 174.279338607645 56.86634886438792 35.22426614263983 337.1341534201555 107.791095364095 23.95565730471811 132.7554553382099 102.1092103729029 91.5974720488744 193.7779829637245 245.7664911109917 228.0866736237552 65.01216483155899 52.82467085630484 36.79702000723798 Ala13C-B_1 283.6753660513596 330.3744390155831 240.5781363390259 443.851951370433 296.0561225423564 239.0803500215605 292.6625096509702 325.1241161091674 264.3947147265074 393.7364754131161 524.6574748379388 428.9551157235503 377.1803331679646 309.4047195511866 225.0256645831735 Ala13C-B_2 579.5699707373764 538.9986196737657 398.8998622504296 999.96839592915 476.2572178184549 770.078872917863 497.64886039544 573.302664649999 529.5574881460736 818.1865435456372 849.712477303703 936.7944913085622 724.5210448461239 519.7698338214104 1135.055213690757 Ala13C-B_3 727.8987362249128 560.8276556459035 408.8197304140522 929.8311034694693 414.2821232000742 826.9381071688862 535.7937021874828 665.1808167054013 458.2156827978845 809.5433378916738 1032.802159554035 953.5440610846912 725.9618409098593 459.3134334643062 501.3998971504031 Ala13C-B_4 590.2277418207757 497.0722063592982 452.32016857488 952.3004297696813 392.5117082455151 442.8315864310161 566.662555752292 509.5026646448243 736.6226637027548 877.5144084640634 885.030263088603 796.0840042422683 436.5485115918461 83.3029036342946 Ala13C-B_5 189.7665946126758 129.2733436435798 83.77806771809178 438.0759214458533 109.202925152846 139.085666251281 123.8429623718423 137.661664559322 250.1329756731783 277.3321982094611 265.8041307865548 162.3225326690982 96.78684851787999 Creat-P_1 465.5736391899923 1360.496343006918 776.4616469264303 1031.044425349079 893.940761923614 987.60244596073 531.4050859205327 845.8081876340733 1019.472870876816 1095.031921260074 1228.94698234934 938.7035782078424 1056.818014184705 818.6658446585443 984.5610593758164 Creat_1 285.1363810747872 451.5119177568183 544.2496608635753 605.2856751863873 536.637931803903 326.4324765842593 281.9179566661473 523.7193615537246 648.5597168219347 826.1298669162326 1043.626369122659 648.198131813505 852.0258455243626 355.3908673402047 545.917597315337 DSS_1 2958.156691349718 3041.753865295394 3012.481215953374 3002.452634091418 2991.79004090964 3166.063115708657 2985.320365007893 2977.311411912654 3051.442313834645 2972.312976431691 3028.401151406836 2957.988351765662 3066.414027926926 3034.780443118629 3002.405500231404 For_1 213.0759374582763 215.2791410001022 219.6286317431314 141.6253507206029 131.5665068046056 165.8036762515345 123.1143908491268 163.5190653915419 153.3629730625454 144.8918311658179 137.499208159178 150.6675147418587 142.5817816656761 198.655306768812 174.4180319950489 Gln-4_1 47.3293397717359 83.60768014457194 35.25115311088574 37.85532653030791 42.39129306949469 58.9620539695377 54.42842283096115 17.80167902342638 47.19209458721692 39.85446244608902 36.21025993123835 10.52027902505235 13.64889295207567 57.6762309303956 129.6013216865853 Gln-4_2 156.9688639854784 384.0641463590043 192.6993880764655 202.8137751772018 222.7593116111586 294.9159130784427 301.9821243164079 291.9605153691474 279.0518588449405 394.9714957962088 205.5981309036838 160.6138553050659 292.9586142668535 179.1307864204552 317.7560956784992 Gln-4_3 623.9115402484731 1152.412334448357 799.517058037453 798.3857578434189 783.7110288403879 926.643805951939 995.9971637053568 1061.419796748514 943.0515520500966 998.999718775667 734.0842336691996 153.0269421427291 813.8558535459708 651.1907910412655 1044.333294427355 Gln-4_4 544.0098724161562 881.4826927265417 594.0070108789673 759.3233632691667 654.7085945799761 739.9929962443731 830.549756913994 915.3214602485976 644.8677018425386 751.5443797754823 638.5125174333466 710.1889646933864 664.8991058798681 591.8988209763463 883.8753200527125 Gln-4_5 290.3105651996357 437.9873235820135 263.6669985480117 360.0690832793991 320.1126066097765 355.2496857399946 421.1194863547128 434.4192489022524 325.5435480113787 414.2111028622154 360.9004785598193 619.3995707558834 326.5970109081796 268.303238132458 408.0393063929019 Gln-4_6 256.7287288544379 246.5383017723657 145.1841030198578 290.1621930238849 155.1940697063301 190.5586998140606 263.5162695264525 237.098180151705 153.8569062067893 259.8907982118579 256.3353362296777 298.2394352574262 221.3661218212378 165.5516128270833 244.4575363344312 Gln-4_7 223.4070503222252 Ile_1 290.2668452585029 273.5197834414079 255.5889172667532 336.2535322964742 274.5166825679421 226.686356075703 176.871876217655 253.599607018653 367.5395555439046 331.6861798284255 404.561706092939 331.9573213397247 186.761484177312 207.3395722222167 312.2450760816274 Ile_2 264.85870775287 317.2369701281543 268.0689817583218 343.7778417615706 283.6124905922726 257.0441584442437 169.5333282476483 215.2973980644737 367.2620685599859 354.4949986717636 424.2692412361382 339.9203534951847 249.9909438680662 240.5224730603002 306.6158158915036 Lac-2 13C-B_1 242.0149599217098 374.70008126022 272.646643856709 480.6828615340989 163.0231182633643 170.5236867218937 324.0583989323447 420.8989228213132 192.6273154505472 491.4181506919968 504.0281876668649 490.2245111593417 359.23037482645 263.6484552422054 330.0786183324765 Lac-2 13C-B_2 1208.858877369374 1949.850598232974 1317.294994075677 2390.919832517088 939.615697225968 980.3671084779784 1556.443389539496 2001.585549740864 1128.493692381004 2488.754588765022 2386.225408735387 2544.647859044449 2042.763717050115 1472.211159127901 1541.175767847002 Lac-2 13C-B_3 2601.577754934292 3649.062013615296 2678.33822858332 4583.309943754133 1758.943464315225 1860.986591987804 2991.570609701985 3973.783719827676 2033.131550192637 4652.471436147528 4698.243856430567 4997.915202118123 4420.889174799367 2692.155642556272 3003.539367488232 Lac-2 13C-B_4 4272.768449037777 7317.255810442604 4040.372851822607 8409.524423042974 3141.654732230511 3777.077342159918 5607.522201126604 6954.415097358578 3990.237600956267 9037.129715430856 8551.67539411507 8891.945454460876 6888.664888219785 5224.248971455982 5879.783240643891 Lac-2 13C-B_5 3833.784669394133 5177.711675613722 3864.760603113246 7309.779676641364 2853.236843908321 2846.838177929091 4176.936028727881 5604.177392468369 3299.23624978609 6524.910039640755 6783.24805541437 7245.110095008375 6105.638476497304 3678.073249569295 4528.644470580234 Lac-2 13C-B_6 4491.93012869404 7005.358153671568 4082.823808910337 8328.65181559583 3249.599767509902 3616.798237997067 5223.491537927256 6958.643270416228 3961.996781073295 8920.838821549467 8175.548056682203 9420.877651002986 7557.059530537839 5187.884231138404 5232.497410487506 Lac-2 13C-B_7 3179.606262106815 4584.599613336928 3035.773666075377 5774.713485966148 2231.215574316726 2237.674606504163 3292.510407518902 3956.190400200465 3002.348751441396 5343.874503054949 5521.868968470509 5704.133160255596 4685.595421919402 2833.690085385586 3837.934093268461 Lac-2 13C-B_8 1575.014290419017 2146.207200717387 1413.133145079982 3104.419641478233 1452.382229998334 1304.213169016128 2070.869905314582 2425.554687541706 1530.25899389103 3311.231830318622 2983.7837790431 3211.320035300836 2550.368599340037 1803.948670404363 2173.680236614714 Lac-2 13C-B_9 2618.94387934361 2157.364841487714 1612.0355841762 2242.249898622671 1648.195067278052 906.822804135053 1286.844375489568 1260.504141970537 1574.391257079478 2144.251896730247 2607.205800544761 3331.314814448473 2392.656088229801 1054.224823336297 1393.899951475316 Lac-2_1 305.0806700947014 3462.965190441596 1009.442714386059 783.5768396041079 1832.885731033998 2176.610821786253 1252.258850479732 2071.361993967684 1939.247036525619 1476.475977376522 1200.392638444113 1600.712136687014 1530.461951160205 1607.081541717129 1920.83645314827 Lac-2_2 1042.276608229708 10228.31421603747 2888.919972149708 2108.471347160761 5441.485893485104 6524.682356472971 3804.783379762704 5981.147274203546 5534.121041058174 4418.933295535173 3318.052007058421 4451.91550712583 4383.822407094402 4614.596370247924 6002.793801794288 Lac-2_3 1249.416744810296 10096.43739178185 2747.833603697584 2365.759989546551 5337.772200760171 6159.55727097843 3796.613230422214 5448.844958861572 5734.875208940667 4338.905810244608 3485.372032694097 4536.281005644164 4309.75476119843 4362.192989533009 5597.643317956607 Lac-2_4 678.3763201201219 3444.088381972354 955.3944039317686 1368.64608714875 2031.599173453065 2220.777444867617 1308.953570432572 1953.040197637 2247.165325477326 1790.995222868375 1684.043224387838 1948.002869166657 1623.672505127151 1586.676802353448 2028.743655913759 Lac-3_1 2842.65083102624 20736.99055015123 6446.913281657507 5173.358885164487 11391.29925548234 13074.5353656028 7625.73643141821 12369.4706239914 11540.09544211643 9613.046947594881 7587.618382001844 10159.72562240374 10000.36625229699 9575.158126703911 12790.86179167659 Lac-3_2 2791.29786106222 19920.35184417286 5591.030732007763 5066.74756637671 10757.33213195266 12803.3327677469 7404.965287020054 11512.54296797287 11617.92160596522 9273.831007810053 7224.484025147306 9780.117621813279 9328.160627977866 8999.124451482125 11547.36759011021 Lac13C-A_1 1310.658730549324 2056.193345235788 6659.606091782572 2141.910264532145 5042.676222276349 4462.088237935732 1535.258601157384 8783.816256627191 1069.803512131165 2366.03382387089 2433.92072626727 2404.919996782081 1853.886355511567 6448.530553704259 7040.736116572932 Lac13C-A_2 4836.629593884549 9378.512531617653 2606.379245179734 11837.09459084021 2271.417753475173 5155.874919927018 7094.207257024426 11307.98810906595 5364.435567136386 10499.93599133288 10444.25619644588 13373.11057712598 9534.332315273528 7386.316320685823 8205.059932934986 Lac13C-A_3 8141.492346307709 9223.800285451103 2745.079077177838 5526.517283264221 1862.320555433631 6095.651458051822 7507.83102328617 11174.48049414993 5641.962597431059 13943.29544233981 13358.43328363467 10644.58398855379 12828.66472110566 7971.759199116445 8233.203055053013 Lac13C-A_4 6117.885244019115 10720.50140696193 6142.261141631679 4997.041197727554 4679.832811356043 1246.247563570677 9075.688999475658 2295.801841966878 6047.346393175668 13005.53181677072 13112.7320431644 14035.31847745671 10178.01320199647 1654.196290349114 2014.413423985406 Lac13C-A_5 1706.051994124636 2767.725139943777 1753.80086478778 13845.22252977525 1376.220350814286 1246.247563570677 1987.444789955671 2295.801841966878 1814.126146339857 3743.118698998858 3105.927840055625 4184.685253099873 2904.222526519425 1654.196290349114 2014.413423985406 Lac13C-A_6 1753.80086478778 4314.838227028649 1376.220350814286 Lac13C-B_1 2444.086050534941 3399.281605003488 2315.932365721871 3919.232590295031 1581.588174984166 1465.866457217263 2890.064803105156 3281.05289039486 1615.198264746408 4033.662959186619 4699.809164233212 4628.955918527814 3266.333257485381 2577.796259686796 2810.860459489137 Lac13C-B_2 5276.377674096745 9459.021036084754 6941.905423961372 12509.64885374336 5201.879807529439 5025.225250958304 6479.396936290822 9424.42816374989 5730.166649339455 11432.93307188081 9688.91490674684 12216.8997367054 8654.383717001348 6603.356791105281 7565.008711597835 Lac13C-B_3 7090.811144758405 8965.535863130828 2872.674681140745 5056.162807910806 1879.433365794622 4731.55954920203 8855.597568142208 10310.55592961019 5692.341286193587 12227.36761431522 13534.92536201879 12708.30990246186 12210.28199402904 7039.100486196217 7856.278149640948 Lac13C-B_4 6678.522009834585 11110.14722281062 2613.553862071284 6011.564077256639 2005.96978284499 6013.467299459669 8207.56561095115 11180.7147950738 6007.622796882788 13412.72807950365 12707.98531658162 14101.41687638465 10587.28351969834 8090.995943498107 8863.368927652713 Lac13C-B_5 1768.083177027582 2790.174504075621 6068.917298998247 12884.87032706176 4632.871283345703 1293.849279044184 2203.373238943909 2268.473650991233 1795.971194822019 3578.971155309708 3200.668702568559 3729.763642524977 2593.839822621122 1786.682822819625 1847.453964016309 Lac13C-B_6 1776.19264347457 4408.814577765185 1373.899286658944 Me-His A_1 367.4804009079988 470.4406244446902 403.2275505967474 438.9156240273197 367.0955318397126 267.2176101823996 307.4009885718778 429.6751157669362 470.8745771229939 486.5375960810941 561.4956132132671 513.3029774862183 461.3037777606251 276.0031299134253 372.9028827847616 Me-His B_1 355.8024295072814 373.1858786187597 384.6411671573002 445.8058704943959 357.0999250540438 300.8375966267187 299.5208210617882 410.0324761798716 484.1657675990509 487.2821493288513 565.1505517825468 475.9297155175152 395.7586278843288 251.8348680890308 412.6753586296267 Met-CH3_1 728.9140820932553 820.7977061283876 709.781085217056 884.3584819616617 804.5806587217216 678.200832358324 782.3055114822364 840.7854183960967 1014.460332932391 1004.481296507112 1067.106793914976 1023.934700392797 958.7222705775807 575.6002775742003 953.891325285259 Phe-2,6_1 433.3725634096163 512.7597595363226 513.1901237294533 522.1402162853253 616.5974876209285 400.4649136717288 318.9892206387449 459.2850584786814 695.1011105460855 618.1404716481409 769.847342289468 701.7492833842991 525.1068347684209 421.4691731557053 550.1243943649661 Phe-2,6_2 204.2840338631929 211.4422433446205 217.7977296406186 255.4747959584218 219.9981840629879 232.1888116410333 183.4608328504739 261.0223149211109 247.3979635548676 225.542005365908 270.6451380898287 238.852533825711 225.6699735568391 156.0440925404983 229.0300256001284 Phe-3,5_1 187.6814469058959 197.212013859059 175.4085542971029 215.5537855029477 201.8248171300577 164.8956312209008 147.9951450316557 207.187126245063 240.9995836762621 220.33755821771 273.749249858081 247.6988973822615 164.4323690573233 170.5848481171377 208.2606984310603 Phe-3,5_2 228.4452745585142 232.78303812682 218.1989930276458 300.9985608798212 238.879700557812 247.0475454773892 200.6781488018342 258.0253772883405 291.7380904469982 263.8327541253031 344.0361440812645 282.8255987610358 246.3160402960659 230.4251631748504 241.9365120699478 Phe-3,5_3 84.18966506027928 78.41069198258529 70.60153400603316 89.07430033509786 87.28800473626148 71.78880838739016 72.93679377797865 92.12089723272243 84.91908220809388 96.96458902707273 110.7824496081309 103.2374406997194 65.507035321358 65.44780360205252 81.62316405972189 Succinate-2,3_1 50.00196209256715 184.7738367343735 52.50160243640043 35.90356682293667 56.84003598909975 46.65230415103602 56.67031419030801 48.32058160953522 77.72168303901397 59.26124473812024 49.39953980053554 64.78214859893785 52.26737715738044 39.01862295690412 84.12011849470117 Trp-4_1 245.8827660438531 321.248536539397 348.3896133491132 324.3123802503339 460.2910892990461 215.6821357676722 159.2671992931759 305.0215612872833 496.6433143804217 386.9565888395633 486.3231799490406 490.1100300527268 338.9951925124954 250.2621373567034 319.2295182364709 Trp-4_2 221.6237157368474 304.1258268873568 313.7748795617143 306.0907785646348 390.5668469093109 191.3004359923696 156.0678922950361 261.7365402412183 519.7274751647691 342.6614154704578 427.0583032200838 446.1843145166646 319.1875909480509 217.365819655239 291.5821590600544 Tyr-2,6_1 211.1223998037469 352.9525035564221 311.3141234027806 329.9881866231623 493.5755170526639 384.096387355461 161.3412725578278 473.008142756796 413.2068308822078 363.2337721352473 684.3974936812238 587.4901578470475 360.41912715965 359.0156782675884 366.5317727359145 Tyr-2,6_2 298.8584493153965 446.1642689850106 415.6135660188137 476.2055558346505 613.8073121035508 446.4895885672845 219.4806240147305 508.2511441472311 638.8695974448835 497.8945687374391 751.7063175748597 748.7543118840632 490.7991526251937 415.5754738831513 487.4278763239909 Tyr-3,5_1 157.1232069986061 208.4947164241128 170.1465784951729 263.2941972128041 328.7786048606956 270.0536043520268 119.604287858105 328.5691754852202 267.7777050463458 222.3850696050589 472.2025678366957 424.454116130655 232.0394360618087 265.9805019431838 235.5474315975623 Tyr-3,5_2 137.5374037768522 212.2505085381386 164.180670416285 260.8529801297204 306.9531135081972 277.3750452854762 104.6150693308628 287.2195070200626 277.5863067998583 252.260979204167 451.0756371087163 416.6849151557329 249.0228146156151 239.7632340452289 235.0717324300238 Val-B_1 848.9367750673051 651.6828633577875 739.8495567105698 825.1256102825596 783.7277078311432 523.7662620067221 455.8331927093629 689.982359060452 852.7455961537811 917.0846669514611 1192.109496742606 906.8477267650907 712.3985357627288 538.0460615095022 631.84718707723 Val-B_2 844.5186059354857 612.7699879265163 659.9522130444523 811.7060865563911 730.9613906341541 502.1354285060852 476.5091653967611 654.6311399588714 899.3035263359739 910.9715204470709 1106.777026034121 898.6426650428144 678.1819966988107 508.232072939398 640.9126082206857 aGlc 13C-A_1 2590.752760365703 715.0009180089535 1470.917270624147 3441.023374439005 1168.317318248293 1274.117566093007 1453.052028680755 1549.677715273037 789.217622657259 3588.628313058071 3712.111176337427 3019.239646873528 2448.29471279777 1183.044317978552 3497.740681332305 aGlc 13C-A_2 11958.94062216768 7026.051959280991 14956.34090689338 11422.82693406123 7077.88800650797 13430.33076675512 11413.67971700731 13111.34623549545 7521.90202756742 18369.40584314068 12797.85134671043 13087.39198718453 16631.63631572538 14423.44158853192 6180.419575124184 aGlc 13C-A_3 17513.68439953874 12051.97696848043 15369.84558270071 20760.03153085994 10488.71097290044 18751.85207192342 14549.71238967501 20565.34010320443 7737.505078157554 24512.16123715081 20977.42952648972 21074.81437173008 22786.86840232003 15129.8404863537 13636.3496154301 aGlc 13C-A_4 1318.31568179429 923.389739870295 1754.391450044328 582.7497038512491 881.757656269583 436.7426669255037 566.6261897078255 2053.593443865104 1819.389391006886 1539.320483689515 1520.923085398093 521.1819831958283 aGlc 13C-B_1 1395.465552205807 10224.36954464539 540.389577235442 1722.655454477638 479.2042668478222 22496.75620229868 771.2521017327351 26798.10648377808 488.1463652188551 2049.406019043014 1871.392349890341 1606.109637696815 1157.433669552563 395.9172978150244 17032.75317403815 aGlc 13C-B_2 20623.01899795705 6518.718375253125 28090.92093594223 22049.27622805189 7653.497753730381 8746.722240141738 19180.65936050984 8781.866371954133 9144.339782004176 28098.79307284888 21875.40763022645 24083.4096074026 25950.56383437301 23597.76943297918 5674.201513631355 aGlc 13C-B_3 11659.78837051064 9250.664028582778 12479.461024747 6493.361120345098 8756.589604245695 5556.919681977985 17608.68929573891 13529.02423993468 14112.15651721239 14044.11149792575 7685.355753393344 aGlc 13C-B_4 678.9969537293498 1104.239905534709 1023.510797618925 1024.730919444816 763.990145237335 1275.94715023724 aGlc_1 1571.312188035881 14431.11399467711 8100.547469986554 1307.414859408387 18350.12826981 12932.79903213752 642.8495908280603 10790.30997447055 6624.532913676471 4232.730361623039 1465.034109925301 2119.447246365712 3776.217702531012 9140.436675364594 12104.21821915294 aGlc_2 1608.189511313433 12089.24760870436 5869.196320397657 1342.198300213626 13054.64133719855 13527.80492483685 6573.963959815636 8872.993532881535 6927.169196172444 4129.606293952998 1312.100688218479 2489.119129471403 5307.262800799988 8233.285158292256 9583.922890354475 aGlc_3 4907.515757999418 aGlc_4 465.7484331794569 bGlc 13C-A_1 13993.84422650414 8447.125006154638 14379.22088499367 15175.06327375346 8125.997412944531 14034.13058209585 11203.40999349565 15279.79471561557 6843.425130496201 21094.42595778481 16873.5596887198 16438.72546696759 17383.96864836068 13435.93953052534 9711.98569941615 bGlc 13C-A_2 15797.30881057088 9064.03099524459 16201.42790433928 17671.64124285675 8842.801515005007 14496.07076677358 13524.57596083519 15239.89352290431 7862.69460492439 22492.7012464912 18870.49986913287 18774.76731133409 20556.9897217145 14031.11165412074 10325.31176102592 bGlc 13C-B_1 14441.67082325687 8591.55778347831 14594.98823071566 16503.30483310474 8124.846221909006 13801.00917436974 12116.02358538526 15743.18978785345 6976.864823535911 20305.14338546252 17882.57448166119 16163.50792506608 19804.07200333166 13076.73855900457 9905.86052069555 bGlc 13C-B_2 12385.94102712539 7307.505659835801 12237.74891217715 14204.77321244701 7269.500597712 12192.6126604844 10743.5352457553 13116.83570940409 5836.977317098982 18653.41159258834 14706.32693726637 15536.30858555894 18411.65826837363 11737.50223910963 8317.357787710454 bGlc_1 1680.755769654165 12248.79357612191 7518.887665967699 1511.740964054006 15412.6906546693 13560.03444078304 5833.504381921412 10575.65784935104 6278.211133867085 3936.785149955871 1450.752077753948 2345.109767186355 4222.884076197033 9405.272657317628 11442.58230783049 bGlc_2 1723.89588433408 11070.71850860515 6309.232640003419 1653.563852321097 13934.18014065992 12382.01004141364 5562.615753624045 8707.499663119163 6120.572372981079 3986.67814417341 1537.515616594712 2399.098429890348 4207.924329652517 7984.923263837066 10024.80697100813 bOH-butyrate_1 2638.541103512025 336.5528349857325 122.9603471977175 947.5688581604703 3816.409687403029 2843.162985111449 754.285880236771 1383.575704550705 bOH-butyrate_2 2638.541103512025 336.5528349857325 122.9603471977175 947.5688581604703 3816.409687403029 2843.162985111449 754.285880236771 1383.575704550705 pyruvate-3_1 113.5705860715267 406.7824178014807 124.2070785556056 127.4531746513749 306.1172149032842 406.627382199308 216.2349735702639 235.267008754771 268.2929629063845 196.2811023651525 182.1399389450517 194.9915126572604 206.2561305483003 174.3029273764059 242.7796497516759 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-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 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-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 Creat-P_1 InChI=1S/C4H10N3O5P/c1-7(2-3(8)9)4(5)6-13(10,11)12/h2H2,1H3,(H,8,9)(H4,5,6,10,11,12) InChI=1S/C4H10N3O5P/c1-7(2-3(8)9)4(5)6-13(10,11)12/h2H2,1H3,(H,8,9)(H4,5,6,10,11,12)/i1H3 ['[1H14', '1H15', '1H16:C1]HResonance'] singlet 3 InChI=1S/C4H10N3O5P/c1-7(2-3(8)9)4(5)6-13(10,11)12/h2H2,1H3,(H,8,9)(H4,5,6,10,11,12) 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 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 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'] multiplet 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'] multiplet 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'] multiplet 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'] multiplet 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'] multiplet 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'] multiplet 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'] multiplet 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 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 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 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-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 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 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 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-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 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 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 multiplet 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-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 multiplet 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-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 multiplet 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 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 multiplet 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 4 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 multiplet 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 multiplet 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 multiplet 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 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 multiplet 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 4 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 aGlc_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 0.35 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 3 integer aGlc_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,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 4 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-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_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 bOH-butyrate_1 InChI=1S/C4H8O3/c1-3(5)2-4(6)7/h3,5H,2H2,1H3,(H,6,7)/p-1 InChI=1/C4H8O3/c1-3(5)2-4(6)7/h3,5H,2H2,1H3,(H,6,7)/p-1/t3-/m0/s1/i1H3,3H/fC4H7O3/q-1 ['[1H8', '1H9', '1H10:C1]HResonance + [1H8', '1H9', '1H10:1H13]J3HH'] doublets 3 InChI=1/C4H8O3/c1-3(5)2-4(6)7/h3,5H,2H2,1H3,(H,6,7)/p-1/t3-/m0/s1/fC4H7O3/q-1 1 integer bOH-butyrate_2 InChI=1S/C4H8O3/c1-3(5)2-4(6)7/h3,5H,2H2,1H3,(H,6,7)/p-1 InChI=1/C4H8O3/c1-3(5)2-4(6)7/h3,5H,2H2,1H3,(H,6,7)/p-1/t3-/m0/s1/i1H3,3H/fC4H7O3/q-1 ['[1H8', '1H9', '1H10:C1]HResonance + [1H8', '1H9', '1H10:1H13]J3HH'] doublets 3 InChI=1/C4H8O3/c1-3(5)2-4(6)7/h3,5H,2H2,1H3,(H,6,7)/p-1/t3-/m0/s1/fC4H7O3/q-1 2 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-2_1 8.253958129658344 62.11436163474816 0.8136074402455198 3.174145460114068 01_A0_Plasma_naive_0days_170427_UKy_GCH_rep1-acetone-NMR_A AXP-2_1 8.254033178628289 45.94789752324046 0.4522851737427697 4.187414852333442 03_A2_Plasma_naive_0days_170427_UKy_GCH_rep3-acetone-NMR_A AXP-2_1 8.254572319438738 112.9468543079375 1.371239000759447 3.374849001614773 05_B1_Plasma_syngenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A AXP-2_1 8.253758461198158 27.76475028127388 0.3549113670492162 2.800694095683654 06_B2_Plasma_syngenic_42days_170427_UKy_GCH_rep3-acetone-NMR_A AXP-2_1 8.253893988267562 49.01803175249048 0.4784551208697874 3.481464026475518 11_B1-1_Plasma_syngenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A Ace-2_1 1.908135419531716 3415.016380038699 15.76918722338942 6.663633728066968 01_A0_Plasma_naive_0days_170427_UKy_GCH_rep1-acetone-NMR_A Ace-2_1 1.908146583825898 3769.578476046986 15.2703245009546 7.595776176564679 02_A1_Plasma_naive_0days_170427_UKy_GCH_rep2-acetone-NMR_A Ace-2_1 1.908743054340511 899.2490843025975 12.19359819868107 2.806853885214593 03_A2_Plasma_naive_0days_170427_UKy_GCH_rep3-acetone-NMR_A Ace-2_1 1.909035895863763 682.5168015454072 10.72522934502368 2.371658916942308 04_B0_Plasma_syngenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Ace-2_1 1.909080095051632 904.7084134145309 14.14184426230204 2.386566452096978 05_B1_Plasma_syngenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A Ace-2_1 1.905961927704006 1283.414135710638 12.77310985749269 3.529012759846589 06_B2_Plasma_syngenic_42days_170427_UKy_GCH_rep3-acetone-NMR_A Ace-2_1 1.90884237189019 1966.05602877197 12.26414083664668 4.932719241289648 07_C1-1_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Ace-2_1 1.908244045626791 1750.087286552495 15.02786274050472 3.757950906270273 08_C1-2_Plasma_allogenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A Ace-2_1 1.907959358789487 1643.435735511437 13.04472487807433 4.00633293088624 09_C2-0_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Ace-2_1 1.908363557423589 977.9277369767476 12.78924401554108 2.852787665140783 10_B1-0_Plasma_syngenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A Ace-2_1 1.908051485197443 2365.565249767903 14.54783260578719 5.003389036920604 11_B1-1_Plasma_syngenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A Ace-2_1 1.908327067310805 3582.29605170267 13.7594115613517 8.011046439654104 12_B1-2_Plasma_syngenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A Ace-2_1 1.908038761109939 1463.505378645032 11.6846540012847 3.997835706645378 13_C1-1_Plasma_allogenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A Ace-2_1 1.908954680331089 1404.571237562501 11.59891417883913 3.961199592742817 14_C1-2_Plasma_allogenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A Ace-2_1 1.908830510810066 859.3556925440384 10.59541430097298 2.971856133827574 15_C1-20_Plasma_allogenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A Ala-3_1 1.463621673482161 2983.814428230124 34.46475722149142 3.104010487368206 01_A0_Plasma_naive_0days_170427_UKy_GCH_rep1-acetone-NMR_A Ala-3_1 1.463955771659754 2036.3853147732 18.72232994408141 3.838886360133344 02_A1_Plasma_naive_0days_170427_UKy_GCH_rep2-acetone-NMR_A Ala-3_1 1.463783669665785 2092.795493773762 22.41597724973381 3.262856573714026 03_A2_Plasma_naive_0days_170427_UKy_GCH_rep3-acetone-NMR_A Ala-3_1 1.46397726305538 3234.334569249775 38.86508218914113 2.903730548484007 04_B0_Plasma_syngenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Ala-3_1 1.463942971626563 1390.058950470161 15.03149012187849 3.152210299784454 05_B1_Plasma_syngenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A Ala-3_1 1.463961227199881 1686.956983394365 18.71697614027838 3.12450223420057 06_B2_Plasma_syngenic_42days_170427_UKy_GCH_rep3-acetone-NMR_A Ala-3_1 1.464165235506329 2581.653841379044 26.68623199630957 3.315679935247052 07_C1-1_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Ala-3_1 1.463358345010025 2078.727294680075 22.06863900783297 3.286645999755623 08_C1-2_Plasma_allogenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A Ala-3_1 1.463020162974506 1355.113603984883 14.2523467814475 3.317571455863065 09_C2-0_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Ala-3_1 1.463403210847619 3027.393910561114 32.62728822925929 3.237568119776277 10_B1-0_Plasma_syngenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A Ala-3_1 1.463248642362193 3686.020114490535 41.04052133322036 3.133832594655442 11_B1-1_Plasma_syngenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A Ala-3_1 1.463792352827636 2025.429331973623 22.02575481604512 3.208612388646232 12_B1-2_Plasma_syngenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A Ala-3_1 1.463105774606691 1673.80488146984 20.07436030512149 2.993770451366396 13_C1-1_Plasma_allogenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A Ala-3_1 1.463948608427924 1312.178345490948 13.89560485973748 3.294931361369991 14_C1-2_Plasma_allogenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A Ala-3_1 1.464053155684391 1713.12985420276 18.7186280992023 3.193355206036701 15_C1-20_Plasma_allogenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A Ala-3_2 1.475725143877901 2870.633186620831 35.93382586674583 2.973394556766745 01_A0_Plasma_naive_0days_170427_UKy_GCH_rep1-acetone-NMR_A Ala-3_2 1.476044584831041 1994.328112021361 19.59094360762146 3.734888176878619 02_A1_Plasma_naive_0days_170427_UKy_GCH_rep2-acetone-NMR_A Ala-3_2 1.475891850655376 2024.475664736059 23.33873351281519 3.110010600720836 03_A2_Plasma_naive_0days_170427_UKy_GCH_rep3-acetone-NMR_A Ala-3_2 1.475937692179651 2855.070342526381 39.47220388819889 2.701170689089647 04_B0_Plasma_syngenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Ala-3_2 1.475981398153925 1370.901960205751 15.89034447622518 3.010260269951285 05_B1_Plasma_syngenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A Ala-3_2 1.476068860134208 1607.155924823099 20.22021474830014 2.922185697607402 06_B2_Plasma_syngenic_42days_170427_UKy_GCH_rep3-acetone-NMR_A Ala-3_2 1.476195321001899 2305.902820322641 27.31711462792731 3.079870837539484 07_C1-1_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Ala-3_2 1.475410114816315 2095.619040309963 22.61943463176078 3.340298894178706 08_C1-2_Plasma_allogenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A Ala-3_2 1.475072301516554 1285.20140196767 14.82447445683792 3.1381763929393 09_C2-0_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Ala-3_2 1.475511402771214 2765.445808632267 33.48070309153206 3.081540409736997 10_B1-0_Plasma_syngenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A Ala-3_2 1.47526760417714 3248.219497709281 42.08928699090522 2.963131403610664 11_B1-1_Plasma_syngenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A Ala-3_2 1.475922316063463 2063.099313212614 23.34644135865948 3.206258932278567 12_B1-2_Plasma_syngenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A Ala-3_2 1.475147714790247 1664.948398809629 20.77133747028687 2.948986270486229 13_C1-1_Plasma_allogenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A Ala-3_2 1.475988038701979 1207.060182431871 14.08166063395866 3.073276563929616 14_C1-2_Plasma_allogenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A Ala-3_2 1.476213775636722 1532.81248288483 18.50341078401298 2.952197672019133 15_C1-20_Plasma_allogenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A Ala13C-A_1 1.345556015713615 289.590243558823 3.445800331166015 2.985723844368545 01_A0_Plasma_naive_0days_170427_UKy_GCH_rep1-acetone-NMR_A Ala13C-A_1 1.345836048157764 330.8213303579181 3.577499317093077 3.224884136544371 02_A1_Plasma_naive_0days_170427_UKy_GCH_rep2-acetone-NMR_A Ala13C-A_1 1.345801878056593 481.6633111571066 5.529186109187032 3.069364010684879 03_A2_Plasma_naive_0days_170427_UKy_GCH_rep3-acetone-NMR_A Ala13C-A_1 1.345697234396543 410.4418339372937 3.744703646454238 3.857982484689746 04_B0_Plasma_syngenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Ala13C-A_1 1.345986419662832 203.5379219173077 2.596850121689093 2.734824190200987 05_B1_Plasma_syngenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A Ala13C-A_1 1.345984227156636 587.3778860214977 6.752205738973063 3.035308838886485 06_B2_Plasma_syngenic_42days_170427_UKy_GCH_rep3-acetone-NMR_A Ala13C-A_1 1.345941095333076 150.5224462162324 2.104553319498772 2.512403697346596 07_C1-1_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Ala13C-A_1 1.345234733146979 783.9987557755561 6.986441712265598 4.137241764146782 08_C1-2_Plasma_allogenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A Ala13C-A_1 1.344760775290205 215.9031477873744 2.477248850570251 3.07182696648601 09_C2-0_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Ala13C-A_1 1.345382103708367 310.5390044448998 3.385589507227059 3.209341192882901 10_B1-0_Plasma_syngenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A Ala13C-A_1 1.344799510180827 5294.983092684623 12.23372621892956 13.31782968680606 11_B1-1_Plasma_syngenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A Ala13C-A_1 1.345610943324545 452.7793835869027 5.458640547018211 2.924476239395998 12_B1-2_Plasma_syngenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A Ala13C-A_1 1.344887910912728 231.0152677986374 2.785615379094313 2.909985939468598 13_C1-1_Plasma_allogenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A Ala13C-A_1 1.345909971394455 372.6190618244191 4.611192914403344 2.929115847638183 14_C1-2_Plasma_allogenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A Ala13C-A_1 1.345853259468406 601.9060287092096 6.953000014180118 3.039279522856724 15_C1-20_Plasma_allogenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A Ala13C-A_2 1.352634987521441 358.5988661551431 4.195138734281584 2.994686276785992 01_A0_Plasma_naive_0days_170427_UKy_GCH_rep1-acetone-NMR_A Ala13C-A_2 1.353124346183653 542.3835481201631 5.581963377264436 3.483743078187367 02_A1_Plasma_naive_0days_170427_UKy_GCH_rep2-acetone-NMR_A Ala13C-A_2 1.35283625827186 679.6644452321347 7.790523657601947 3.084900718429342 03_A2_Plasma_naive_0days_170427_UKy_GCH_rep3-acetone-NMR_A Ala13C-A_2 1.35300446460924 304.5438257483891 3.574917625474263 2.967678834376728 04_B0_Plasma_syngenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Ala13C-A_2 1.353055102521945 276.9779234124855 3.566362192851233 2.724676912989601 05_B1_Plasma_syngenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A Ala13C-A_2 1.352988942753814 858.7201008717748 10.21273868825704 3.015912526142905 06_B2_Plasma_syngenic_42days_170427_UKy_GCH_rep3-acetone-NMR_A Ala13C-A_2 1.353292064978822 486.0673467285902 5.960434944683863 2.923782675474671 07_C1-1_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Ala13C-A_2 1.352150592682073 240.8855823620237 2.369751951521284 3.433522946946553 08_C1-2_Plasma_allogenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A Ala13C-A_2 1.352052914851279 380.4342142931292 4.053217507540522 3.277414266836766 09_C2-0_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Ala13C-A_2 1.352598033196897 370.276368785586 4.216797280128179 3.095211143588066 10_B1-0_Plasma_syngenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A Ala13C-A_2 1.352620205490493 383.0026062759221 4.335093596061947 3.105558427455235 11_B1-1_Plasma_syngenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A Ala13C-A_2 1.352821384538209 826.2735890877268 10.00526882210233 2.977423928981362 12_B1-2_Plasma_syngenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A Ala13C-A_2 1.352168514708425 445.2266706898285 5.345449078655763 2.929307357751346 13_C1-1_Plasma_allogenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A Ala13C-A_2 1.353066151970878 696.8750743171094 7.816584412866656 3.150279129610585 14_C1-2_Plasma_allogenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A Ala13C-A_2 1.353030258110261 1010.836489880636 11.95195667413411 2.97397123510008 15_C1-20_Plasma_allogenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A Ala13C-A_3 1.357956505620353 349.5210954251683 3.077315783568503 4.012590649525572 01_A0_Plasma_naive_0days_170427_UKy_GCH_rep1-acetone-NMR_A Ala13C-A_3 1.358531011797325 297.172907753822 3.12873057046453 3.346927109239817 02_A1_Plasma_naive_0days_170427_UKy_GCH_rep2-acetone-NMR_A Ala13C-A_3 1.358346795147152 642.5450770168878 5.652238241334646 3.963831319212006 03_A2_Plasma_naive_0days_170427_UKy_GCH_rep3-acetone-NMR_A Ala13C-A_3 1.357991471054749 172.3360480026416 1.922919729476241 3.127129996895631 04_B0_Plasma_syngenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Ala13C-A_3 1.358345215212526 237.7275169713065 2.370883415572135 3.498647731777281 05_B1_Plasma_syngenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A Ala13C-A_3 1.358650742676538 1080.118554670886 9.05339923839689 4.193300425397722 06_B2_Plasma_syngenic_42days_170427_UKy_GCH_rep3-acetone-NMR_A Ala13C-A_3 1.35863306494194 521.199811851266 4.649406296963343 3.924647161145983 07_C1-1_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Ala13C-A_3 1.356762122085314 1129.489981863369 3.729058063352426 10.55111861121299 08_C1-2_Plasma_allogenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A Ala13C-A_3 1.357475382673033 262.6472389913957 2.54373348118749 3.625259342746955 09_C2-0_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Ala13C-A_3 1.357888204315037 263.4441568316444 2.473543083291419 3.702086875248321 10_B1-0_Plasma_syngenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A Ala13C-A_3 1.358093056227646 390.56648798202 3.49812166087895 4.108146464534645 11_B1-1_Plasma_syngenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A Ala13C-A_3 1.358552567122054 1038.579000356176 8.683268060451885 4.230409241580772 12_B1-2_Plasma_syngenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A Ala13C-A_3 1.357696317500569 481.7791821540613 4.235947291160754 4.020793300007092 13_C1-1_Plasma_allogenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A Ala13C-A_3 1.358705489097746 696.2170562895382 6.266551660049931 3.952559240166071 14_C1-2_Plasma_allogenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A Ala13C-A_3 1.358770356089995 1421.996433065363 10.73812186043342 4.66362506815836 15_C1-20_Plasma_allogenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A Ala13C-A_4 1.364705326719154 433.1374469108077 4.739788497621048 3.20825926220672 01_A0_Plasma_naive_0days_170427_UKy_GCH_rep1-acetone-NMR_A Ala13C-A_4 1.36486723761783 581.6834708170541 5.535883165517124 3.683029041318076 02_A1_Plasma_naive_0days_170427_UKy_GCH_rep2-acetone-NMR_A Ala13C-A_4 1.364893608824685 817.670345423484 8.639711509421671 3.307671392516081 03_A2_Plasma_naive_0days_170427_UKy_GCH_rep3-acetone-NMR_A Ala13C-A_4 1.364927390485225 373.2645716524256 3.94615811181673 3.270750981288218 04_B0_Plasma_syngenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Ala13C-A_4 1.365010542799921 328.0323751616453 3.797096457820199 2.998997373317767 05_B1_Plasma_syngenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A Ala13C-A_4 1.365085010066997 980.9481803840994 10.99769027028891 3.112257648570088 06_B2_Plasma_syngenic_42days_170427_UKy_GCH_rep3-acetone-NMR_A Ala13C-A_4 1.365328493179411 631.4945242615258 6.819683025403137 3.206318822401657 07_C1-1_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Ala13C-A_4 1.364403594253614 342.0539102316124 3.028622152838205 3.896453535049972 08_C1-2_Plasma_allogenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A Ala13C-A_4 1.364031987153254 394.3555353577668 3.947478229743671 3.490231589145718 09_C2-0_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Ala13C-A_4 1.364605854186085 389.7571834429956 4.342900336503921 3.189173917364725 10_B1-0_Plasma_syngenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A Ala13C-A_4 1.364517367087188 502.2548047912986 5.239007375600131 3.388089152043726 11_B1-1_Plasma_syngenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A Ala13C-A_4 1.364960854909562 912.9816275214795 10.46281579243153 3.05614223364797 12_B1-2_Plasma_syngenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A Ala13C-A_4 1.364247549769931 542.9839429299151 5.832265955505659 3.26314586570485 13_C1-1_Plasma_allogenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A Ala13C-A_4 1.365067783836782 786.283640219092 8.356362125240183 3.301317442346655 14_C1-2_Plasma_allogenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A Ala13C-A_4 1.365194779498893 1211.636040291787 13.24183953524794 3.18631606970845 15_C1-20_Plasma_allogenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A Ala13C-A_5 1.371431089437479 137.3962080733116 1.698190231520462 2.798331614597056 01_A0_Plasma_naive_0days_170427_UKy_GCH_rep1-acetone-NMR_A Ala13C-A_5 1.3714090401623 97.5182472473385 1.225543327492218 2.781849490763071 02_A1_Plasma_naive_0days_170427_UKy_GCH_rep2-acetone-NMR_A Ala13C-A_5 1.371786920320273 290.6669744455867 3.297817016651075 3.071601522507811 03_A2_Plasma_naive_0days_170427_UKy_GCH_rep3-acetone-NMR_A Ala13C-A_5 1.37179206732394 161.6866430461426 1.424684544824482 3.713653058009202 04_B0_Plasma_syngenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Ala13C-A_5 1.371743808587966 52.83639921395974 0.6703494889321046 2.587194146546596 05_B1_Plasma_syngenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A Ala13C-A_5 1.372062375662305 368.6497366664875 4.542721147845689 2.92766470802003 06_B2_Plasma_syngenic_42days_170427_UKy_GCH_rep3-acetone-NMR_A Ala13C-A_5 1.372137881295987 153.1638155593543 1.91758912093501 2.843523211638874 07_C1-1_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Ala13C-A_5 1.370594391539234 35.93348595707716 0.6559406385635264 2.39323942614732 08_C1-2_Plasma_allogenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A Ala13C-A_5 1.370855675052094 79.23700628445727 1.102842843868546 2.521614760000276 09_C2-0_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Ala13C-A_5 1.370960272633168 55.19553001085697 0.8253069969306902 2.344600509637768 10_B1-0_Plasma_syngenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A Ala13C-A_5 1.371185424308796 85.29952329658188 1.16991750046414 2.614074498639879 11_B1-1_Plasma_syngenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A Ala13C-A_5 1.371929566045237 342.1300104356328 4.430565317990177 2.813540716439713 12_B1-2_Plasma_syngenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A Ala13C-A_5 1.371092382879067 199.1331830073148 2.312899436082902 3.026286345994513 13_C1-1_Plasma_allogenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A Ala13C-A_5 1.372215468127919 261.4190079114675 3.384920471848905 2.847346098864252 14_C1-2_Plasma_allogenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A Ala13C-A_5 1.372209011932989 505.7012301302333 5.804371330216475 3.052165477395773 15_C1-20_Plasma_allogenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A Ala13C-B_1 1.561111290646775 396.5920720897611 3.846171406418887 3.62844151164752 01_A0_Plasma_naive_0days_170427_UKy_GCH_rep1-acetone-NMR_A Ala13C-B_1 1.561608615229192 565.7704997519469 4.781970266780777 4.169803997849838 02_A1_Plasma_naive_0days_170427_UKy_GCH_rep2-acetone-NMR_A Ala13C-B_1 1.561573747150132 590.6047131196741 5.873779909739849 3.589803764690571 03_A2_Plasma_naive_0days_170427_UKy_GCH_rep3-acetone-NMR_A Ala13C-B_1 1.561414797517872 444.0841838135347 3.822874641107032 4.057760731281059 04_B0_Plasma_syngenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Ala13C-B_1 1.561510201895002 360.8672045085389 3.415159902980411 3.712911633066875 05_B1_Plasma_syngenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A Ala13C-B_1 1.561871527040839 786.9862122569083 7.892348005512129 3.558577460816724 06_B2_Plasma_syngenic_42days_170427_UKy_GCH_rep3-acetone-NMR_A Ala13C-B_1 1.561861122954048 487.6861741637511 4.609389835697916 3.726178086684444 07_C1-1_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Ala13C-B_1 1.560502456243137 358.6205250323408 3.381485949885028 3.700483875733625 08_C1-2_Plasma_allogenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A Ala13C-B_1 1.560379979311586 464.1070793267799 4.394717039523792 3.784476084008395 09_C2-0_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Ala13C-B_1 1.560614739863409 337.5384968747602 3.743547189813136 3.213429628046649 10_B1-0_Plasma_syngenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A Ala13C-B_1 1.560697165244221 495.5616585233747 4.053478394864225 4.296984547076583 11_B1-1_Plasma_syngenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A Ala13C-B_1 1.561652451033897 643.4326735853253 6.958041423715748 3.315451616942438 12_B1-2_Plasma_syngenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A Ala13C-B_1 1.560833964023562 438.9937644764553 4.363760859620653 3.578261805945661 13_C1-1_Plasma_allogenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A Ala13C-B_1 1.561911682722341 425.5130490770395 4.722815309463894 3.294281241514827 14_C1-2_Plasma_allogenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A Ala13C-B_1 1.562080658697391 665.7779270556495 7.388034684127814 3.218583990105564 15_C1-20_Plasma_allogenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A Ala13C-B_2 1.56930756163283 794.3362322191105 7.114992131463802 3.889670907317675 01_A0_Plasma_naive_0days_170427_UKy_GCH_rep1-acetone-NMR_A Ala13C-B_2 1.569495607133573 1086.781567269186 9.1936569871158 4.166918721186339 02_A1_Plasma_naive_0days_170427_UKy_GCH_rep2-acetone-NMR_A Ala13C-B_2 1.569307561072529 1227.279815318456 11.47413300907138 3.73305820997927 03_A2_Plasma_naive_0days_170427_UKy_GCH_rep3-acetone-NMR_A Ala13C-B_2 1.569654837955413 714.3858267276823 6.408342805413725 3.815948766211517 04_B0_Plasma_syngenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Ala13C-B_2 1.569602276738632 598.3497933756444 6.123593125365487 3.403782779849559 05_B1_Plasma_syngenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A Ala13C-B_2 1.569427145210399 1274.568715955555 13.58754001087355 3.351720809789745 06_B2_Plasma_syngenic_42days_170427_UKy_GCH_rep3-acetone-NMR_A Ala13C-B_2 1.569774704088452 859.9539969749984 8.912525277911705 3.416175439251705 07_C1-1_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Ala13C-B_2 1.569819152057744 1155.118309376795 6.750530991228453 5.778958890631888 08_C1-2_Plasma_allogenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A Ala13C-B_2 1.568797505759717 779.6547507321156 6.670678276096448 4.006781851260272 09_C2-0_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Ala13C-B_2 1.570287707832648 1702.582820536136 9.338511641219023 6.247366070834063 10_B1-0_Plasma_syngenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A Ala13C-B_2 1.568998508349884 808.4979295106485 7.151503984893386 3.934349252750585 11_B1-1_Plasma_syngenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A Ala13C-B_2 1.569280326555477 1405.191736962843 13.72900941330961 3.571308323175888 12_B1-2_Plasma_syngenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A Ala13C-B_2 1.568729922483443 746.47329059316 7.67201539021181 3.451668267631601 13_C1-1_Plasma_allogenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A Ala13C-B_2 1.569385085562573 869.3549561060646 9.393062291925247 3.318306713571187 14_C1-2_Plasma_allogenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A Ala13C-B_2 1.569474231413083 1499.952593893725 14.93850535291607 3.459667730064385 15_C1-20_Plasma_allogenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A Ala13C-B_3 1.574521767927371 687.3235241968267 4.734154965109092 5.065819365545413 01_A0_Plasma_naive_0days_170427_UKy_GCH_rep1-acetone-NMR_A Ala13C-B_3 1.574991691288108 1088.942761364789 7.359625269283285 5.138245485627351 02_A1_Plasma_naive_0days_170427_UKy_GCH_rep2-acetone-NMR_A Ala13C-B_3 1.575042456248139 1214.315006837511 9.055852685120067 4.713253732947873 03_A2_Plasma_naive_0days_170427_UKy_GCH_rep3-acetone-NMR_A Ala13C-B_3 1.574942153137422 621.4231848001114 4.302071541989407 5.07819457054181 04_B0_Plasma_syngenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Ala13C-B_3 1.574832889990863 613.2295956210784 4.330081798204567 4.941490530121853 05_B1_Plasma_syngenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A Ala13C-B_3 1.575071583847365 1549.203239331053 11.93385626390128 4.592467758467151 06_B2_Plasma_syngenic_42days_170427_UKy_GCH_rep3-acetone-NMR_A Ala13C-B_3 1.57524589273726 997.7712250581019 6.783943231027962 5.069092339749178 07_C1-1_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Ala13C-B_3 1.580898832655467 1240.407160753329 5.359098844681403 7.134944120822632 08_C1-2_Plasma_allogenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A Ala13C-B_3 1.573903209615246 688.9701501964594 4.430071645603082 5.475185111328057 09_C2-0_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Ala13C-B_3 1.581134833969704 752.0998457256046 6.20585692725005 3.997320626726899 10_B1-0_Plasma_syngenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A Ala13C-B_3 1.574318252142883 841.2414834688552 5.269533525305864 5.424950240755828 11_B1-1_Plasma_syngenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A Ala13C-B_3 1.575082241804449 1430.316091627037 11.18931333741667 4.460253578968491 12_B1-2_Plasma_syngenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A Ala13C-B_3 1.574381366350923 803.6905532812243 6.161621741221776 4.552997409467084 13_C1-1_Plasma_allogenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A Ala13C-B_3 1.575286994415056 1091.848104337369 8.264307119796939 4.538329378433729 14_C1-2_Plasma_allogenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A Ala13C-B_3 1.5753940180387 1394.746655204204 12.18861711421666 4.218834226904354 15_C1-20_Plasma_allogenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A Ala13C-B_4 1.581226809433585 764.2539969672365 6.583495621588817 3.944831142096666 01_A0_Plasma_naive_0days_170427_UKy_GCH_rep1-acetone-NMR_A Ala13C-B_4 1.581561847863607 1194.126006363402 9.206130198946711 4.466391780100497 02_A1_Plasma_naive_0days_170427_UKy_GCH_rep2-acetone-NMR_A Ala13C-B_4 1.581423529822678 1104.933995554132 10.88014508761608 3.543501413954427 03_A2_Plasma_naive_0days_170427_UKy_GCH_rep3-acetone-NMR_A Ala13C-B_4 1.581608829795606 588.7675623682726 5.525717798347332 3.582660519619681 04_B0_Plasma_syngenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Ala13C-B_4 1.581552685622913 678.4802528623201 5.745817214301145 3.844463082402317 05_B1_Plasma_syngenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A Ala13C-B_4 1.581506858946391 1316.271612696095 13.38335345232707 3.362269629455342 06_B2_Plasma_syngenic_42days_170427_UKy_GCH_rep3-acetone-NMR_A Ala13C-B_4 1.581869518115693 849.9938336284379 8.452871232507276 3.456054137782101 07_C1-1_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Ala13C-B_4 1.580706357654338 654.8227673877691 5.645055094411599 3.841625045327948 09_C2-0_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Ala13C-B_4 1.588104319561757 124.9543554514419 1.612534194721997 2.768409185063193 10_B1-0_Plasma_syngenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A Ala13C-B_4 1.58101610042214 745.6083095389473 6.625804231502014 3.781223832002632 11_B1-1_Plasma_syngenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A Ala13C-B_4 1.581401730261137 1327.545394632904 13.26082877705987 3.451987550044831 12_B1-2_Plasma_syngenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A Ala13C-B_4 1.580763344921921 664.2473796465241 7.0357980656914 3.30728992041793 13_C1-1_Plasma_allogenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A Ala13C-B_4 1.581563364448058 885.3416127311635 9.335865472271964 3.310787622905761 14_C1-2_Plasma_allogenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A Ala13C-B_4 1.581609160262639 1428.450644654522 14.81324988723817 3.372405726410675 15_C1-20_Plasma_allogenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A Ala13C-B_5 1.588217465386851 206.492496838983 2.393070243129246 3.091639741706557 01_A0_Plasma_naive_0days_170427_UKy_GCH_rep1-acetone-NMR_A Ala13C-B_5 1.588690008995618 243.4837990036473 3.055833260377062 3.062235237259906 02_A1_Plasma_naive_0days_170427_UKy_GCH_rep2-acetone-NMR_A Ala13C-B_5 1.588389061002372 375.1994635097675 4.458155603532761 3.124929015615996 03_A2_Plasma_naive_0days_170427_UKy_GCH_rep3-acetone-NMR_A Ala13C-B_5 1.588622987908837 163.8043877292691 1.977570466610615 2.925508240582227 04_B0_Plasma_syngenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Ala13C-B_5 1.588698187797289 125.6671015771377 1.79269131020578 2.645092857057798 05_B1_Plasma_syngenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A Ala13C-B_5 1.588576496444097 415.9982973141916 5.675524384737311 2.793124476859428 06_B2_Plasma_syngenic_42days_170427_UKy_GCH_rep3-acetone-NMR_A Ala13C-B_5 1.588739137156471 185.7644435577634 2.940528878930212 2.520857138161818 07_C1-1_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Ala13C-B_5 1.587767533334228 145.18027277682 1.98669434248858 2.771331273831622 09_C2-0_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Ala13C-B_5 1.587927441312522 193.9100154653698 2.164336442154686 3.212196191571777 11_B1-1_Plasma_syngenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A Ala13C-B_5 1.588490951252404 398.7061961798321 5.522279383458143 2.739424973901396 12_B1-2_Plasma_syngenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A Ala13C-B_5 1.587717363533001 208.6284993769215 2.841596564492883 2.730109810924789 13_C1-1_Plasma_allogenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A Ala13C-B_5 1.588633642799924 284.6498919190138 3.94910923417407 2.762863975785833 14_C1-2_Plasma_allogenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A Ala13C-B_5 1.588685859850469 657.1138821687799 6.9530128780252 3.263638230961979 15_C1-20_Plasma_allogenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A Creat-P_1 3.024354287563527 3058.418612630448 37.88118392504221 3.014487781745148 01_A0_Plasma_naive_0days_170427_UKy_GCH_rep1-acetone-NMR_A Creat-P_1 3.024881950113632 3170.454042554115 33.33602053711676 3.536602939241055 02_A1_Plasma_naive_0days_170427_UKy_GCH_rep2-acetone-NMR_A Creat-P_1 3.024728966785594 3285.095763780222 39.41438936666661 3.103485741306787 03_A2_Plasma_naive_0days_170427_UKy_GCH_rep3-acetone-NMR_A Creat-P_1 3.02464996032257 2681.822285770842 34.39608382261426 2.875385047460207 04_B0_Plasma_syngenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Creat-P_1 3.024651753224346 2329.384940779291 30.17018830083688 2.958623258800817 05_B1_Plasma_syngenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A Creat-P_1 3.024897639501778 3686.84094704802 44.74598297520763 3.037749205299425 06_B2_Plasma_syngenic_42days_170427_UKy_GCH_rep3-acetone-NMR_A Creat-P_1 3.025001167235076 2537.42456290222 31.89826620910326 2.959252455270825 07_C1-1_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Creat-P_1 3.024092290744142 2962.80733788219 37.82940931011983 2.971656807927094 08_C1-2_Plasma_allogenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A Creat-P_1 3.023705345006453 2455.997533975633 32.66068300225675 2.853168787284137 09_C2-0_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Creat-P_1 3.024180523718797 2953.683178127449 39.61698740025405 2.913730339687006 10_B1-0_Plasma_syngenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A Creat-P_1 3.023840811949925 4081.489029020755 56.50283376828544 2.805718924591484 11_B1-1_Plasma_syngenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A Creat-P_1 3.024635886890685 2816.110734623527 35.30087509726406 3.011955513395324 12_B1-2_Plasma_syngenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A Creat-P_1 3.023911251609583 1594.215257761598 22.25398156086582 2.756457762994659 13_C1-1_Plasma_allogenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A Creat-P_1 3.024817536830407 1396.720917569977 17.87356268534647 2.964990525330592 14_C1-2_Plasma_allogenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A Creat-P_1 3.024911509234626 3093.133276047238 40.99566260303519 2.862763842956148 15_C1-20_Plasma_allogenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A Creat_1 3.012616408801438 1945.679150465804 21.43018675856407 3.347316944941348 01_A0_Plasma_naive_0days_170427_UKy_GCH_rep1-acetone-NMR_A Creat_1 3.013058433354936 2556.077536573088 22.55862430919112 4.062449786035051 02_A1_Plasma_naive_0days_170427_UKy_GCH_rep2-acetone-NMR_A Creat_1 3.013031045225754 2478.389600748698 26.657871449004 3.424611075643291 03_A2_Plasma_naive_0days_170427_UKy_GCH_rep3-acetone-NMR_A Creat_1 3.013093339093362 1609.913795411709 18.52793589489031 3.203517857216652 04_B0_Plasma_syngenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Creat_1 3.012926610214665 1632.748982590726 17.80200285529278 3.340962164155852 05_B1_Plasma_syngenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A Creat_1 3.013105049861139 3130.879107367978 34.42593774729733 3.352988672137613 06_B2_Plasma_syngenic_42days_170427_UKy_GCH_rep3-acetone-NMR_A Creat_1 3.013464076536766 1571.158084661174 17.94696872676187 3.227604744524064 07_C1-1_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Creat_1 3.012602385698484 979.2974297527779 11.38016715515294 3.265057049126205 08_C1-2_Plasma_allogenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A Creat_1 3.012081337032502 1066.172602020614 12.11015473555782 3.252547180636673 09_C2-0_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Creat_1 3.012551841220679 1637.752791946011 18.20631745869476 3.340401343950141 10_B1-0_Plasma_syngenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A Creat_1 3.012413318908397 1354.535753270455 14.99009907838514 3.331482499248771 11_B1-1_Plasma_syngenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A Creat_1 3.013015475064809 1944.594395440515 20.63992513377936 3.473541394853739 12_B1-2_Plasma_syngenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A Creat_1 3.012423560090279 845.753869998442 9.708096459055906 3.211896022991728 13_C1-1_Plasma_allogenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A Creat_1 3.013120577321168 855.4091432243616 9.57291189889453 3.351222160647799 14_C1-2_Plasma_allogenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A Creat_1 3.013353716487707 1815.857025559162 20.0703171672855 3.282034403740569 15_C1-20_Plasma_allogenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A DSS_1 4.877624307940724e-05 27462.98082451181 445.1097238829893 2.440250441050238 01_A0_Plasma_naive_0days_170427_UKy_GCH_rep1-acetone-NMR_A DSS_1 0.0002881123537448795 27597.72625134233 354.2365447080572 2.971529148401029 02_A1_Plasma_naive_0days_170427_UKy_GCH_rep2-acetone-NMR_A DSS_1 0.0001217415985865511 26750.81678788522 428.0977655626766 2.428387929281546 03_A2_Plasma_naive_0days_170427_UKy_GCH_rep3-acetone-NMR_A DSS_1 0.0003140499703841917 26926.11036818676 451.2110364727775 2.32920565559651 04_B0_Plasma_syngenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A DSS_1 0.000170496625098307 27112.33094358037 431.478451382942 2.39022486644284 05_B1_Plasma_syngenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A DSS_1 0.0001964028818511393 27255.61036266153 445.3259985227084 2.36697043311211 06_B2_Plasma_syngenic_42days_170427_UKy_GCH_rep3-acetone-NMR_A DSS_1 0.0002021565384403771 26795.80270721388 440.3406281783615 2.338782961254927 07_C1-1_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A DSS_1 -0.0002413348280340443 28494.56804137791 445.7301466109645 2.51291362353296 08_C1-2_Plasma_allogenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A DSS_1 -0.0006141034644516132 27313.02398806766 446.2351132553185 2.430596165141443 09_C2-0_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A DSS_1 -0.0003974651265182832 27021.64950208264 445.5258321781853 2.302584508562071 10_B1-0_Plasma_syngenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A DSS_1 -0.0004709344753628392 27375.78478765854 443.3797597080413 2.386942079379078 11_B1-1_Plasma_syngenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A DSS_1 0.0001663746652618385 26621.89516589095 424.8017097309354 2.471457300604385 12_B1-2_Plasma_syngenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A DSS_1 -0.0005637903866372758 26867.88328507104 462.9295312863961 2.268221489340719 13_C1-1_Plasma_allogenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A DSS_1 0.0003566746462440039 26623.41022214746 448.4677209856147 2.326757316406378 14_C1-2_Plasma_allogenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A DSS_1 0.0004907490441814238 27022.07370682276 438.6873429557765 2.382657442072144 15_C1-20_Plasma_allogenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A For_1 8.444045375001723 153.3629730625454 2.558013497607873 2.454029872974611 01_A0_Plasma_naive_0days_170427_UKy_GCH_rep1-acetone-NMR_A For_1 8.444247798205852 142.5817816656761 1.854415679162738 2.990988441111099 02_A1_Plasma_naive_0days_170427_UKy_GCH_rep2-acetone-NMR_A For_1 8.444188313782218 144.8918311658179 2.428254664977075 2.383778884214634 03_A2_Plasma_naive_0days_170427_UKy_GCH_rep3-acetone-NMR_A For_1 8.444105715707455 131.5665068046056 2.228812323528779 2.343592810396087 04_B0_Plasma_syngenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A For_1 8.444178419737614 219.6286317431314 3.526558860573771 2.44080122166405 05_B1_Plasma_syngenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A For_1 8.444233566670166 137.499208159178 2.266211967448193 2.396674303065307 06_B2_Plasma_syngenic_42days_170427_UKy_GCH_rep3-acetone-NMR_A For_1 8.444401687149181 163.5190653915419 2.834705939351718 2.31945616484667 07_C1-1_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A For_1 8.443639406679972 165.8036762515345 2.61771225623655 2.488874071160784 08_C1-2_Plasma_allogenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A For_1 8.443215855454937 198.655306768812 3.36092161291796 2.415317937251574 09_C2-0_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A For_1 8.443611298399915 174.4180319950489 2.809900390618116 2.518103903959798 10_B1-0_Plasma_syngenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A For_1 8.443459751108742 215.2791410001022 3.516675367496662 2.471750773225384 11_B1-1_Plasma_syngenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A For_1 8.444086388573165 150.6675147418587 2.374896691702582 2.479372592028674 12_B1-2_Plasma_syngenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A For_1 8.443275313876466 123.1143908491268 2.071089315488575 2.374543378873082 13_C1-1_Plasma_allogenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A For_1 8.444282363580719 213.0759374582763 3.463094102138466 2.505605345474736 14_C1-2_Plasma_allogenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A For_1 8.444445577872186 141.6253507206029 2.283048542014944 2.394566560693128 15_C1-20_Plasma_allogenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A Gln-4_1 2.408291604215104 94.38418917443384 1.332959973570226 2.65659056829223 01_A0_Plasma_naive_0days_170427_UKy_GCH_rep1-acetone-NMR_A Gln-4_1 2.408206159429411 27.29778590415134 0.4475338061564405 2.280018147124276 02_A1_Plasma_naive_0days_170427_UKy_GCH_rep2-acetone-NMR_A Gln-4_1 2.408367497365002 79.70892489217803 1.146263776670835 2.563739825275362 03_A2_Plasma_naive_0days_170427_UKy_GCH_rep3-acetone-NMR_A Gln-4_1 2.408595518833034 84.78258613898937 1.15573430587838 2.58490197192221 04_B0_Plasma_syngenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Gln-4_1 2.4143609308887 70.50230622177148 1.16208490118255 2.236747866731929 05_B1_Plasma_syngenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A Gln-4_1 2.408649525100085 72.42051986247671 0.9681548670847213 2.61004362524931 06_B2_Plasma_syngenic_42days_170427_UKy_GCH_rep3-acetone-NMR_A Gln-4_1 2.409069162121824 35.60335804685276 0.6298264852906088 1.976264704628452 07_C1-1_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Gln-4_1 2.4133710427824 117.9241079390754 1.762687667181997 2.474827399224778 08_C1-2_Plasma_allogenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A Gln-4_1 2.413452640068444 115.3524618607912 1.595690922244933 2.658496526801265 09_C2-0_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Gln-4_1 2.413538813191199 259.2026433731706 3.502276162470705 2.759778685879489 10_B1-0_Plasma_syngenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A Gln-4_1 2.408107208008949 167.2153602891439 2.057107061283515 2.836287398252564 11_B1-1_Plasma_syngenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A Gln-4_1 2.408672584599818 21.0405580501047 0.4211669805087192 1.841851049285391 12_B1-2_Plasma_syngenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A Gln-4_1 2.408101516704523 108.8568456619223 1.413558569965307 2.738180863376123 13_C1-1_Plasma_allogenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A Gln-4_1 2.409109746682416 94.65867954347179 1.099656618103402 3.027697112384954 14_C1-2_Plasma_allogenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A Gln-4_1 2.408796774929075 75.71065306061583 0.9496831652391295 2.889501352062851 15_C1-20_Plasma_allogenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A Gln-4_2 2.421018159997527 558.103717689881 6.11748003798609 3.210292182835659 01_A0_Plasma_naive_0days_170427_UKy_GCH_rep1-acetone-NMR_A Gln-4_2 2.421592806302548 585.917228533707 4.26208459389604 4.638691916421178 02_A1_Plasma_naive_0days_170427_UKy_GCH_rep2-acetone-NMR_A Gln-4_2 2.421361345247012 789.9429915924176 6.042136250706485 4.138951131271173 03_A2_Plasma_naive_0days_170427_UKy_GCH_rep3-acetone-NMR_A Gln-4_2 2.4214909402182 445.5186232223172 5.207819682619674 2.992857132424189 04_B0_Plasma_syngenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Gln-4_2 2.421471836508187 385.3987761529309 4.329047296762136 3.071821642121926 05_B1_Plasma_syngenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A Gln-4_2 2.421356157920206 411.1962618073676 4.269503767241139 3.272796538186647 06_B2_Plasma_syngenic_42days_170427_UKy_GCH_rep3-acetone-NMR_A Gln-4_2 2.421821244342386 583.9210307382948 6.632296177915057 3.135067293014953 07_C1-1_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Gln-4_2 2.420919015419728 589.8318261568854 6.571840125812587 3.212857549204736 08_C1-2_Plasma_allogenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A Gln-4_2 2.420630213907418 358.2615728409104 4.006546149388192 3.174647768943627 09_C2-0_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Gln-4_2 2.420887030561778 635.5121913569983 7.075248424814206 3.207666380804826 10_B1-0_Plasma_syngenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A Gln-4_2 2.420926123782473 768.1282927180087 7.794956839540018 3.411744110285947 11_B1-1_Plasma_syngenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A Gln-4_2 2.421348401385088 321.2277106101317 3.512368874794134 3.17215893479071 12_B1-2_Plasma_syngenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A Gln-4_2 2.420839533877767 603.9642486328157 6.383700895859193 3.294047554845041 13_C1-1_Plasma_allogenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A Gln-4_2 2.421709155434925 313.9377279709568 3.419431570610379 3.20346921771299 14_C1-2_Plasma_allogenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A Gln-4_2 2.421646867799262 405.6275503544037 4.784466805255506 2.990764353855205 15_C1-20_Plasma_allogenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A Gln-4_3 2.434264838203252 1886.103104100193 15.75399371473655 4.166508845426255 01_A0_Plasma_naive_0days_170427_UKy_GCH_rep1-acetone-NMR_A Gln-4_3 2.434394230049171 1627.711707091942 11.26308210614426 5.067757765662402 02_A1_Plasma_naive_0days_170427_UKy_GCH_rep2-acetone-NMR_A Gln-4_3 2.434428766011787 1997.999437551334 15.07032823977409 4.577630272399925 03_A2_Plasma_naive_0days_170427_UKy_GCH_rep3-acetone-NMR_A Gln-4_3 2.434733520473471 1567.422057680776 14.36867458909965 3.921781758416941 04_B0_Plasma_syngenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Gln-4_3 2.434411211359563 1599.034116074906 12.23718715423822 4.556359623936112 05_B1_Plasma_syngenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A Gln-4_3 2.43459922129731 1468.168467338399 11.94318779955921 4.289301676825449 06_B2_Plasma_syngenic_42days_170427_UKy_GCH_rep3-acetone-NMR_A Gln-4_3 2.434840058716492 2122.839593497028 17.43187556636985 4.249169186056739 07_C1-1_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Gln-4_3 2.434034714625999 1853.287611903878 16.49278463392604 4.024464618535044 08_C1-2_Plasma_allogenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A Gln-4_3 2.433681759049068 1302.381582082531 11.0027212908832 4.17614813792224 09_C2-0_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Gln-4_3 2.434055775825975 2088.666588854711 18.64126321280835 4.006086795935147 10_B1-0_Plasma_syngenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A Gln-4_3 2.433992607876695 2304.824668896713 19.6763519067342 4.087184793013606 11_B1-1_Plasma_syngenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A Gln-4_3 2.426365685331283 306.0538842854581 1.589142723528243 5.926013385756264 12_B1-2_Plasma_syngenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A Gln-4_3 2.433858385353404 1991.994327410714 16.57211706586347 4.16272686947382 13_C1-1_Plasma_allogenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A Gln-4_3 2.43466937659083 1247.823080496946 9.253396927158828 4.644446087128262 14_C1-2_Plasma_allogenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A Gln-4_3 2.434771017329908 1596.771515686838 12.93675924647005 4.258596480039914 15_C1-20_Plasma_allogenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A Gln-4_4 2.447829223842584 1289.735403685077 12.92181166143765 4.032769365668831 01_A0_Plasma_naive_0days_170427_UKy_GCH_rep1-acetone-NMR_A Gln-4_4 2.447956459606282 1329.798211759736 9.546923020128888 4.993255138827283 02_A1_Plasma_naive_0days_170427_UKy_GCH_rep2-acetone-NMR_A Gln-4_4 2.447786532111939 1503.088759550965 12.4862013859232 4.458199670090083 03_A2_Plasma_naive_0days_170427_UKy_GCH_rep3-acetone-NMR_A Gln-4_4 2.447964348038306 1309.417189159952 13.0289397549921 3.676707490904125 04_B0_Plasma_syngenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Gln-4_4 2.447725870957209 1188.014021757935 10.28338854257204 4.031032342147864 05_B1_Plasma_syngenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A Gln-4_4 2.447876563910595 1277.025034866693 10.73995430061071 4.2166453656508 06_B2_Plasma_syngenic_42days_170427_UKy_GCH_rep3-acetone-NMR_A Gln-4_4 2.448080572381091 1830.642920497195 15.71995295456931 4.144512733413388 07_C1-1_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Gln-4_4 2.447572869965207 1479.985992488746 14.42903566565481 4.008548956074658 08_C1-2_Plasma_allogenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A Gln-4_4 2.44701677876168 1183.797641952693 9.712715761057702 4.252729428837593 09_C2-0_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Gln-4_4 2.447360829042437 1767.750640105425 16.11200825126332 4.045040686848515 10_B1-0_Plasma_syngenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A Gln-4_4 2.447303723942565 1762.965385453083 16.56219892620252 3.971543931879818 11_B1-1_Plasma_syngenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A Gln-4_4 2.434496890865979 1420.377929386773 11.04453012046423 4.48329769626917 12_B1-2_Plasma_syngenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A Gln-4_4 2.447215285506902 1661.099513827988 14.21573320688022 4.25954383086655 13_C1-1_Plasma_allogenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A Gln-4_4 2.448085354599863 1088.019744832312 8.090453753946274 4.660755681683222 14_C1-2_Plasma_allogenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A Gln-4_4 2.448251613608619 1518.646726538333 11.2082415078392 4.931996568294291 15_C1-20_Plasma_allogenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A Gln-4_5 2.461930099442826 651.0870960227574 6.995173969652807 3.407095159597314 01_A0_Plasma_naive_0days_170427_UKy_GCH_rep1-acetone-NMR_A Gln-4_5 2.462934638915866 653.1940218163593 6.290726472309866 3.909837609050729 02_A1_Plasma_naive_0days_170427_UKy_GCH_rep2-acetone-NMR_A Gln-4_5 2.462647074790941 828.4222057244308 8.318317110417238 3.718295901366137 03_A2_Plasma_naive_0days_170427_UKy_GCH_rep3-acetone-NMR_A Gln-4_5 2.462281039099334 640.225213219553 7.348529515067228 3.212061835818257 04_B0_Plasma_syngenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Gln-4_5 2.462408370557478 527.3339970960235 5.959664809938371 3.211576874052752 05_B1_Plasma_syngenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A Gln-4_5 2.46282546666539 721.8009571196386 8.38982274342732 3.450605376692534 06_B2_Plasma_syngenic_42days_170427_UKy_GCH_rep3-acetone-NMR_A Gln-4_5 2.462774805235608 868.8384978045048 9.069218676505871 3.434755092950824 07_C1-1_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Gln-4_5 2.461771477767199 710.4993714799891 7.624847529321507 3.435453709748257 08_C1-2_Plasma_allogenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A Gln-4_5 2.461573401453572 536.6064762649161 5.768342409073071 3.42218701386708 09_C2-0_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Gln-4_5 2.461799573948017 816.0786127858039 8.8550649267821 3.438404534770881 10_B1-0_Plasma_syngenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A Gln-4_5 2.461702675068163 875.974647164027 9.827110914184924 3.439849553398329 11_B1-1_Plasma_syngenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A Gln-4_5 2.447888170398127 1238.799141511767 9.650207546891995 4.524102122459122 12_B1-2_Plasma_syngenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A Gln-4_5 2.461782169388003 842.2389727094256 8.91599536885189 3.482708020432534 13_C1-1_Plasma_allogenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A Gln-4_5 2.462927314951336 580.6211303992714 6.806238404169756 3.461812841596294 14_C1-2_Plasma_allogenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A Gln-4_5 2.463260895318368 720.1381665587982 8.557474627070283 3.614200510497154 15_C1-20_Plasma_allogenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A Gln-4_6 2.473877300717933 307.7138124135786 3.678336218617474 3.248444066425966 01_A0_Plasma_naive_0days_170427_UKy_GCH_rep1-acetone-NMR_A Gln-4_6 2.4742980237468 442.7322436424756 4.408380241191582 3.646394152007159 02_A1_Plasma_naive_0days_170427_UKy_GCH_rep2-acetone-NMR_A Gln-4_6 2.474132666104922 519.7815964237158 5.78607503366826 3.311985327402779 03_A2_Plasma_naive_0days_170427_UKy_GCH_rep3-acetone-NMR_A Gln-4_6 2.473988883259596 310.3881394126602 4.021103218557325 3.153967600278273 04_B0_Plasma_syngenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Gln-4_6 2.473950106395705 290.3682060397157 3.718980146829387 3.047578444509476 05_B1_Plasma_syngenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A Gln-4_6 2.474109028685266 512.6706724593554 5.984002329162751 3.158626589748516 06_B2_Plasma_syngenic_42days_170427_UKy_GCH_rep3-acetone-NMR_A Gln-4_6 2.474401397355997 474.1963603034099 5.392543388840078 3.306953391323637 07_C1-1_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Gln-4_6 2.473674554772255 381.1173996281212 3.971035227088554 3.44097589857725 08_C1-2_Plasma_allogenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A Gln-4_6 2.473152373043722 331.1032256541665 3.6078083518472 3.290383706649507 09_C2-0_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Gln-4_6 2.473765642938456 488.9150726688623 5.19354585692848 3.4165376176139 10_B1-0_Plasma_syngenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A Gln-4_6 2.473583390364023 493.0766035447314 5.476329544637627 3.416249819568036 11_B1-1_Plasma_syngenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A Gln-4_6 2.462791975411672 596.4788705148524 7.279540108195951 3.455739115773721 12_B1-2_Plasma_syngenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A Gln-4_6 2.47329964609643 527.032539052905 5.523190915021918 3.357998095105672 13_C1-1_Plasma_allogenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A Gln-4_6 2.473956666993397 513.4574577088758 5.605855140812275 3.376868600037346 14_C1-2_Plasma_allogenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A Gln-4_6 2.474388753618275 580.3243860477698 6.622555145586279 3.416029691657013 15_C1-20_Plasma_allogenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A Gln-4_7 2.473954954173437 446.8141006444504 5.4477886803661 3.33766413099182 12_B1-2_Plasma_syngenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A Ile_1 0.9968332282623957 1102.618666631714 13.4729054172129 2.94611084285881 01_A0_Plasma_naive_0days_170427_UKy_GCH_rep1-acetone-NMR_A Ile_1 0.9970658872850293 560.2844525319359 6.531730020742518 3.178873647723587 02_A1_Plasma_naive_0days_170427_UKy_GCH_rep2-acetone-NMR_A Ile_1 0.9969341511042713 995.0585394852765 12.2452450155961 2.950922299957796 03_A2_Plasma_naive_0days_170427_UKy_GCH_rep3-acetone-NMR_A Ile_1 0.9971321597336309 823.5500477038263 11.10583098701676 2.689725107077416 04_B0_Plasma_syngenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Ile_1 0.997139808955567 766.7667518002597 10.00371789469482 2.748074047108548 05_B1_Plasma_syngenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A Ile_1 0.9971794365508297 1213.685118278817 15.97016222795385 2.776007224780793 06_B2_Plasma_syngenic_42days_170427_UKy_GCH_rep3-acetone-NMR_A Ile_1 0.997292062283225 760.7988210559591 9.923240084002854 2.786203209582288 07_C1-1_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Ile_1 0.9965946294583518 680.0590682271089 8.352292293454155 2.940994644551397 08_C1-2_Plasma_allogenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A Ile_1 0.9962929365705501 622.0187166666501 8.248903055387895 2.78008977234015 09_C2-0_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Ile_1 0.9966106343523824 936.7352282448823 12.15436676915581 2.841424249682345 10_B1-0_Plasma_syngenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A Ile_1 0.9964514313854093 820.5593503242238 10.58446443529867 2.816236811296166 11_B1-1_Plasma_syngenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A Ile_1 0.9970241294793593 995.871964019174 12.34677494503438 2.919024883042794 12_B1-2_Plasma_syngenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A Ile_1 0.9963570170018015 530.615628652965 6.822933941862774 2.788274100573393 13_C1-1_Plasma_allogenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A Ile_1 0.9972338958900313 870.8005357755086 11.36026225042613 2.826063377821765 14_C1-2_Plasma_allogenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A Ile_1 0.9973021132655626 1008.760596889423 12.91248426610067 2.800947047330562 15_C1-20_Plasma_allogenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A Ile_2 1.008579966847248 1101.786205679958 14.27241325785622 2.846108715704658 01_A0_Plasma_naive_0days_170427_UKy_GCH_rep1-acetone-NMR_A Ile_2 1.008886456806208 749.9728316041986 8.39030894163829 3.295483528981188 02_A1_Plasma_naive_0days_170427_UKy_GCH_rep2-acetone-NMR_A Ile_2 1.008713836145866 1063.484996015291 13.59058475201846 2.884993178818894 03_A2_Plasma_naive_0days_170427_UKy_GCH_rep3-acetone-NMR_A Ile_2 1.008833682848808 850.8374717768179 12.37489621403972 2.695629473807863 04_B0_Plasma_syngenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Ile_2 1.008872845160115 804.2069452749654 11.07383714878152 2.735133964624549 05_B1_Plasma_syngenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A Ile_2 1.008871399237834 1272.807723708415 18.07332214914474 2.785853989008241 06_B2_Plasma_syngenic_42days_170427_UKy_GCH_rep3-acetone-NMR_A Ile_2 1.008954691770294 645.8921941934211 10.48401298001924 2.722936251085328 07_C1-1_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Ile_2 1.008349439162675 771.132475332731 9.6424829288792 3.043858898261307 08_C1-2_Plasma_allogenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A Ile_2 1.008013074816861 721.5674191809005 9.383429446779619 2.883085986896232 09_C2-0_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Ile_2 1.008328411831362 919.8474476745108 13.36631829058308 2.772709296391708 10_B1-0_Plasma_syngenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A Ile_2 1.008212830953966 951.7109103844627 12.08227200577352 2.904076190061663 11_B1-1_Plasma_syngenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A Ile_2 1.008796830546954 1019.761060485554 13.40484105245597 2.849804954055929 12_B1-2_Plasma_syngenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A Ile_2 1.008081552545292 508.599984742945 7.78307898273973 2.672711423899439 13_C1-1_Plasma_allogenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A Ile_2 1.00894792465163 794.5761232586099 12.22578807637296 2.711771787106361 14_C1-2_Plasma_allogenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A Ile_2 1.009071254104493 1031.333525284712 13.83898327463096 2.749412926205594 15_C1-20_Plasma_allogenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A Lac-2 13C-B_1 4.199138812742555 192.6273154505472 2.971839324400358 2.434843871290024 01_A0_Plasma_naive_0days_170427_UKy_GCH_rep1-acetone-NMR_A Lac-2 13C-B_1 4.199629843369051 359.23037482645 4.587239441983697 2.994078768307227 02_A1_Plasma_naive_0days_170427_UKy_GCH_rep2-acetone-NMR_A Lac-2 13C-B_1 4.199592841249826 491.4181506919968 7.177306628596311 2.596962178505463 03_A2_Plasma_naive_0days_170427_UKy_GCH_rep3-acetone-NMR_A Lac-2 13C-B_1 4.199550120157957 163.0231182633643 2.493451247067944 2.410459736406008 04_B0_Plasma_syngenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Lac-2 13C-B_1 4.199654808851128 272.646643856709 3.692280312609044 2.672648501160597 05_B1_Plasma_syngenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A Lac-2 13C-B_1 4.199634124775806 504.0281876668649 7.281980924831334 2.586219857074806 06_B2_Plasma_syngenic_42days_170427_UKy_GCH_rep3-acetone-NMR_A Lac-2 13C-B_1 4.199957648817302 420.8989228213132 5.58609478392641 2.733846618212786 07_C1-1_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Lac-2 13C-B_1 4.199230674478891 170.5236867218937 2.289719862090256 2.670108786630208 08_C1-2_Plasma_allogenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A Lac-2 13C-B_1 4.198620324206894 263.6484552422054 3.885520163178753 2.574547236825563 09_C2-0_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Lac-2 13C-B_1 4.199167620065361 330.0786183324765 4.501609623853856 2.782110418105876 10_B1-0_Plasma_syngenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A Lac-2 13C-B_1 4.198937778123753 374.70008126022 5.477713883030492 2.595429542336738 11_B1-1_Plasma_syngenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A Lac-2 13C-B_1 4.19938789718257 490.2245111593417 7.240933592952294 2.565055057921326 12_B1-2_Plasma_syngenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A Lac-2 13C-B_1 4.198700041923053 324.0583989323447 4.939129522373662 2.512383308516051 13_C1-1_Plasma_allogenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A Lac-2 13C-B_1 4.199454469065244 242.0149599217098 3.696865167632323 2.483895962195406 14_C1-2_Plasma_allogenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A Lac-2 13C-B_1 4.199701580249607 480.6828615340989 7.39528767001583 2.430403028634232 15_C1-20_Plasma_allogenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A Lac-2 13C-B_2 4.2047876710898 564.2468461905022 6.716564675002584 2.993458466897345 01_A0_Plasma_naive_0days_170427_UKy_GCH_rep1-acetone-NMR_A Lac-2 13C-B_2 4.205145568856093 1021.381858525057 9.83561172489563 3.623412057588258 02_A1_Plasma_naive_0days_170427_UKy_GCH_rep2-acetone-NMR_A Lac-2 13C-B_2 4.205187038245039 1244.377294382511 15.00607745482778 2.992564234241547 03_A2_Plasma_naive_0days_170427_UKy_GCH_rep3-acetone-NMR_A Lac-2 13C-B_2 4.205178394886905 469.807848612984 5.639918750163817 2.935232598444226 04_B0_Plasma_syngenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Lac-2 13C-B_2 4.205305625878004 658.6474970378383 7.766908124809461 3.027498670384512 05_B1_Plasma_syngenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A Lac-2 13C-B_2 4.205249436727815 1193.112704367693 14.71546819672523 2.914420810552129 06_B2_Plasma_syngenic_42days_170427_UKy_GCH_rep3-acetone-NMR_A Lac-2 13C-B_2 4.205481032136074 1000.792774870432 12.03793707457758 2.980702874166315 07_C1-1_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Lac-2 13C-B_2 4.204642789508648 490.1835542389892 5.433059396886248 3.175943914977135 08_C1-2_Plasma_allogenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A Lac-2 13C-B_2 4.204204364168698 736.1055795639506 8.534669451175025 3.113036048529624 09_C2-0_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Lac-2 13C-B_2 4.204745709579836 770.5878839235011 9.44609917109423 2.991803164366321 10_B1-0_Plasma_syngenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A Lac-2 13C-B_2 4.204526061196373 974.9252991164869 11.60436291184312 3.022675941515828 11_B1-1_Plasma_syngenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A Lac-2 13C-B_2 4.205005552347353 1272.323929522225 15.17022799643381 3.013206631354846 12_B1-2_Plasma_syngenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A Lac-2 13C-B_2 4.20430842591414 778.2216947697478 10.23844393964941 2.802340760353061 13_C1-1_Plasma_allogenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A Lac-2 13C-B_2 4.205056094745152 604.4294386846872 7.425939958993124 2.941689954770954 14_C1-2_Plasma_allogenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A Lac-2 13C-B_2 4.205323721842344 1195.459916258544 15.5166605069649 2.784612034733634 15_C1-20_Plasma_allogenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A Lac-2 13C-B_3 4.210684174963362 1016.565775096318 12.98545533798017 2.820924566155532 01_A0_Plasma_naive_0days_170427_UKy_GCH_rep1-acetone-NMR_A Lac-2 13C-B_3 4.211196078131893 2210.444587399683 20.89832505803412 3.719307478807827 02_A1_Plasma_naive_0days_170427_UKy_GCH_rep2-acetone-NMR_A Lac-2 13C-B_3 4.21106017695255 2326.235718073764 30.09150916369851 2.825031677282121 03_A2_Plasma_naive_0days_170427_UKy_GCH_rep3-acetone-NMR_A Lac-2 13C-B_3 4.21109588727411 879.4717321576126 11.2548540651095 2.751898938500317 04_B0_Plasma_syngenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Lac-2 13C-B_3 4.211155142247067 1339.16911429166 15.76578704993926 2.963812529542018 05_B1_Plasma_syngenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A Lac-2 13C-B_3 4.211140885311667 2349.121928215283 30.21692310533926 2.819415983769542 06_B2_Plasma_syngenic_42days_170427_UKy_GCH_rep3-acetone-NMR_A Lac-2 13C-B_3 4.211435337498782 1986.891859913838 24.02601554010153 2.969276420667589 07_C1-1_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Lac-2 13C-B_3 4.210611719591149 930.4932959939022 10.1645535157763 3.198932456729324 08_C1-2_Plasma_allogenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A Lac-2 13C-B_3 4.210122924758668 1346.077821278136 16.56994291691598 2.921397188715378 09_C2-0_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Lac-2 13C-B_3 4.210614487833924 1501.769683744116 18.52074849718095 2.952773511456652 10_B1-0_Plasma_syngenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A Lac-2 13C-B_3 4.210404100815497 1824.531006807648 22.40625577023424 2.91726389508936 11_B1-1_Plasma_syngenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A Lac-2 13C-B_3 4.210903928114243 2498.957601059062 31.42796249001752 2.884592061224728 12_B1-2_Plasma_syngenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A Lac-2 13C-B_3 4.210184605571909 1495.785304850993 20.61760568594575 2.712248971487182 13_C1-1_Plasma_allogenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A Lac-2 13C-B_3 4.211007232568793 1300.788877467146 15.95659567685542 2.934722836869291 14_C1-2_Plasma_allogenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A Lac-2 13C-B_3 4.211196285950954 2291.654971877067 32.03301375457904 2.627707049887728 15_C1-20_Plasma_allogenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A Lac-2 13C-B_4 4.216467366593863 1995.118800478133 22.33108572694469 3.175431829097932 01_A0_Plasma_naive_0days_170427_UKy_GCH_rep1-acetone-NMR_A Lac-2 13C-B_4 4.21696964524987 3444.332444109893 33.03068169148871 3.738644057649154 02_A1_Plasma_naive_0days_170427_UKy_GCH_rep2-acetone-NMR_A Lac-2 13C-B_4 4.216856679738519 4518.564857715428 50.36594030505359 3.205018643606818 03_A2_Plasma_naive_0days_170427_UKy_GCH_rep3-acetone-NMR_A Lac-2 13C-B_4 4.216823107277638 1570.827366115256 18.80726607550294 2.967678834376728 04_B0_Plasma_syngenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Lac-2 13C-B_4 4.216869084909568 2020.186425911304 24.32285473638616 2.976273603529338 05_B1_Plasma_syngenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A Lac-2 13C-B_4 4.216921378569099 4275.837697057535 49.16014198019722 3.094312678332785 06_B2_Plasma_syngenic_42days_170427_UKy_GCH_rep3-acetone-NMR_A Lac-2 13C-B_4 4.217195201094576 3477.207548679289 40.24043119826925 3.126561862191558 07_C1-1_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Lac-2 13C-B_4 4.216420756253424 1888.538671079959 18.90011699081092 3.508174716837372 08_C1-2_Plasma_allogenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A Lac-2 13C-B_4 4.215907599394395 2612.124485727991 28.64591357728186 3.26005536253484 09_C2-0_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Lac-2 13C-B_4 4.216417042008988 2939.891620321946 32.17112275937802 3.280917672175285 10_B1-0_Plasma_syngenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A Lac-2 13C-B_4 4.216230784427484 3658.627905221302 39.30293309180475 3.248061486228642 11_B1-1_Plasma_syngenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A Lac-2 13C-B_4 4.216691728456701 4445.972727230438 51.09379493852473 3.13030801149239 12_B1-2_Plasma_syngenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A Lac-2 13C-B_4 4.215977679139013 2803.761100563302 34.53160579353173 2.959186667446771 13_C1-1_Plasma_allogenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A Lac-2 13C-B_4 4.216724148737094 2136.384224518888 25.20129563530805 3.040430184743131 14_C1-2_Plasma_allogenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A Lac-2 13C-B_4 4.216958219717637 4204.762211521487 52.35852036833337 2.887411296165927 15_C1-20_Plasma_allogenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A Lac-2 13C-B_5 4.222229096107473 1649.618124893045 20.75396869844841 2.856832883854344 01_A0_Plasma_naive_0days_170427_UKy_GCH_rep1-acetone-NMR_A Lac-2 13C-B_5 4.222722792733 3052.819238248652 31.22374612128227 3.505441118863838 02_A1_Plasma_naive_0days_170427_UKy_GCH_rep2-acetone-NMR_A Lac-2 13C-B_5 4.22262902271838 3262.455019820377 45.40638683909104 2.702537035380468 03_A2_Plasma_naive_0days_170427_UKy_GCH_rep3-acetone-NMR_A Lac-2 13C-B_5 4.222632059152279 1426.61842195416 17.96963065044783 2.792043142806785 04_B0_Plasma_syngenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Lac-2 13C-B_5 4.222618510562524 1932.380301556623 23.95344404657108 2.887674773021544 05_B1_Plasma_syngenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A Lac-2 13C-B_5 4.222710176406865 3391.624027707185 46.24165649728777 2.696616774763835 06_B2_Plasma_syngenic_42days_170427_UKy_GCH_rep3-acetone-NMR_A Lac-2 13C-B_5 4.222960796822871 2802.088696234185 35.64310168094615 2.872949114742664 07_C1-1_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Lac-2 13C-B_5 4.222105865949255 1423.419088964546 15.84666301175489 3.161217755441473 08_C1-2_Plasma_allogenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A Lac-2 13C-B_5 4.221652475887784 1839.036624784648 24.6445038686247 2.772213515224244 09_C2-0_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Lac-2 13C-B_5 4.222180339931325 2264.322235290117 28.7215756003901 2.904772835810485 10_B1-0_Plasma_syngenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A Lac-2 13C-B_5 4.221985432755456 2588.855837806861 33.95171297520947 2.79275503115456 11_B1-1_Plasma_syngenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A Lac-2 13C-B_5 4.222482792803048 3622.555047504187 47.58706756277275 2.812475262753718 12_B1-2_Plasma_syngenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A Lac-2 13C-B_5 4.22176579105435 2088.46801436394 31.34046584293983 2.568918431467603 13_C1-1_Plasma_allogenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A Lac-2 13C-B_5 4.222536692704486 1916.892334697067 24.64572965423033 2.827648464725449 14_C1-2_Plasma_allogenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A Lac-2 13C-B_5 4.222756836225201 3654.889838320682 49.72135598756641 2.71101818912156 15_C1-20_Plasma_allogenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A Lac-2 13C-B_6 4.22816136633763 1980.998390536647 22.21755929547438 3.173495728499054 01_A0_Plasma_naive_0days_170427_UKy_GCH_rep1-acetone-NMR_A Lac-2 13C-B_6 4.228674647233797 3778.52976526892 34.15201684853378 3.922266033694448 02_A1_Plasma_naive_0days_170427_UKy_GCH_rep2-acetone-NMR_A Lac-2 13C-B_6 4.228464532470449 4460.419410774733 50.36774481828515 3.175044268474436 03_A2_Plasma_naive_0days_170427_UKy_GCH_rep3-acetone-NMR_A Lac-2 13C-B_6 4.228562427019723 1624.799883754951 19.0418756818976 2.992753921584664 04_B0_Plasma_syngenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Lac-2 13C-B_6 4.228560144326962 2041.411904455168 24.39414502923317 3.000348037407442 05_B1_Plasma_syngenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A Lac-2 13C-B_6 4.228552791004899 4087.774028341102 48.32096034657766 3.039102540761607 06_B2_Plasma_syngenic_42days_170427_UKy_GCH_rep3-acetone-NMR_A Lac-2 13C-B_6 4.228871771569306 3479.321635208114 39.62240172703505 3.148369133414955 07_C1-1_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Lac-2 13C-B_6 4.228146451739658 1808.399118998534 18.79274605284234 3.419786910786898 08_C1-2_Plasma_allogenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A Lac-2 13C-B_6 4.227548651525129 2593.942115569202 28.66091561779846 3.24047364591943 09_C2-0_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Lac-2 13C-B_6 4.228055062230871 2616.248705243753 31.09568640999695 3.071648454286655 10_B1-0_Plasma_syngenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A Lac-2 13C-B_6 4.227860556550953 3502.679076835784 38.32583536959771 3.226233973768839 11_B1-1_Plasma_syngenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A Lac-2 13C-B_6 4.228335028604053 4710.438825501493 51.94695524977109 3.193724375251582 12_B1-2_Plasma_syngenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A Lac-2 13C-B_6 4.227610858167682 2611.745768963628 33.52235361726946 2.89554279765867 13_C1-1_Plasma_allogenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A Lac-2 13C-B_6 4.228394763660475 2245.96506434702 25.22950234669642 3.148063588450777 14_C1-2_Plasma_allogenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A Lac-2 13C-B_6 4.228593476057843 4164.325907797915 51.02788824742374 2.935305407361792 15_C1-20_Plasma_allogenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A Lac-2 13C-B_7 4.233631536214764 1501.174375720698 18.68326145601055 2.939910950149697 01_A0_Plasma_naive_0days_170427_UKy_GCH_rep1-acetone-NMR_A Lac-2 13C-B_7 4.234275800980883 2342.797710959701 25.14065761262684 3.390549321576776 02_A1_Plasma_naive_0days_170427_UKy_GCH_rep2-acetone-NMR_A Lac-2 13C-B_7 4.234091736368838 2671.937251527474 36.22334346264083 2.759112888013333 03_A2_Plasma_naive_0days_170427_UKy_GCH_rep3-acetone-NMR_A Lac-2 13C-B_7 4.234021286360752 1115.607787158363 16.30125543830458 2.554719532699804 04_B0_Plasma_syngenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Lac-2 13C-B_7 4.234092555142928 1517.886833037689 19.97049150777714 2.787563734847831 05_B1_Plasma_syngenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A Lac-2 13C-B_7 4.234139031997686 2760.934484235254 36.50879719009993 2.757992373824504 06_B2_Plasma_syngenic_42days_170427_UKy_GCH_rep3-acetone-NMR_A Lac-2 13C-B_7 4.23442176836874 1978.095200100232 26.29107343902032 2.773128124514082 07_C1-1_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Lac-2 13C-B_7 4.233535109203613 1118.837303252081 13.06825153048901 3.111939997092972 08_C1-2_Plasma_allogenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A Lac-2 13C-B_7 4.233107616886987 1416.845042692793 19.37300373207417 2.74516172644558 09_C2-0_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Lac-2 13C-B_7 4.233541441550798 1918.96704663423 22.98790788304332 3.04854516425587 10_B1-0_Plasma_syngenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A Lac-2 13C-B_7 4.233501607475078 2292.299806668464 27.83510367176236 2.952603759700983 11_B1-1_Plasma_syngenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A Lac-2 13C-B_7 4.233981888950465 2852.066580127798 38.27959844747064 2.761700502092829 12_B1-2_Plasma_syngenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A Lac-2 13C-B_7 4.233246393328195 1646.255203759451 23.93684850780385 2.612530201194228 13_C1-1_Plasma_allogenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A Lac-2 13C-B_7 4.234071259216614 1589.803131053407 21.58147338423829 2.746077351651826 14_C1-2_Plasma_allogenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A Lac-2 13C-B_7 4.234227718411345 2887.356742983074 39.17727716123343 2.706629097328145 15_C1-20_Plasma_allogenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A Lac-2 13C-B_8 4.24034593822629 765.1294969455151 8.006788259235053 3.35464595325009 01_A0_Plasma_naive_0days_170427_UKy_GCH_rep1-acetone-NMR_A Lac-2 13C-B_8 4.240666130197495 1275.184299670018 11.18941821361108 3.984554891662055 02_A1_Plasma_naive_0days_170427_UKy_GCH_rep2-acetone-NMR_A Lac-2 13C-B_8 4.240395448917452 1655.615915159311 16.602872669835 3.473325605143522 03_A2_Plasma_naive_0days_170427_UKy_GCH_rep3-acetone-NMR_A Lac-2 13C-B_8 4.240750016426376 726.1911149991671 6.862403774430852 3.734339714516636 04_B0_Plasma_syngenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Lac-2 13C-B_8 4.240499725230167 706.5665725399911 7.998033919162098 3.150865020941736 05_B1_Plasma_syngenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A Lac-2 13C-B_8 4.240518456429999 1491.89188952155 15.75811703932173 3.254631919736379 06_B2_Plasma_syngenic_42days_170427_UKy_GCH_rep3-acetone-NMR_A Lac-2 13C-B_8 4.240759127046695 1212.777343770853 12.68044517036624 3.321572899880276 07_C1-1_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Lac-2 13C-B_8 4.240143692820744 652.1065845080641 6.173466220197425 3.608940151014796 08_C1-2_Plasma_allogenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A Lac-2 13C-B_8 4.239468616439216 901.9743352021814 9.325452544982934 3.399747788659254 09_C2-0_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Lac-2 13C-B_8 4.240153366463207 1086.840118307357 10.53164216389602 3.506846987102878 10_B1-0_Plasma_syngenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A Lac-2 13C-B_8 4.239831420987612 1073.103600358693 11.29200001895667 3.315902431255999 11_B1-1_Plasma_syngenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A Lac-2 13C-B_8 4.240303855216144 1605.660017650418 15.99141109754021 3.478471556253948 12_B1-2_Plasma_syngenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A Lac-2 13C-B_8 4.239391051801971 1035.434952657291 10.78423351187311 3.363202279628283 13_C1-1_Plasma_allogenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A Lac-2 13C-B_8 4.240438238756782 787.5071452095083 7.333188725138964 3.606510320764451 14_C1-2_Plasma_allogenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A Lac-2 13C-B_8 4.24048074162032 1552.209820739117 17.1830813264483 3.185843539263063 15_C1-20_Plasma_allogenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A Lac-2 13C-B_9 4.244780217052586 787.1956285397392 7.63092762469285 3.612452539905867 01_A0_Plasma_naive_0days_170427_UKy_GCH_rep1-acetone-NMR_A Lac-2 13C-B_9 4.245654655784632 1196.3280441149 9.67788902077323 4.256398862062188 02_A1_Plasma_naive_0days_170427_UKy_GCH_rep2-acetone-NMR_A Lac-2 13C-B_9 4.245568725432827 1072.125948365123 12.0173469057046 3.18781451137931 03_A2_Plasma_naive_0days_170427_UKy_GCH_rep3-acetone-NMR_A Lac-2 13C-B_9 4.245351602239356 824.0975336390261 7.269887918822805 3.680987734759631 04_B0_Plasma_syngenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Lac-2 13C-B_9 4.24541244031724 806.0177920881001 7.660947716720766 3.575274410374056 05_B1_Plasma_syngenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A Lac-2 13C-B_9 4.245468111548878 1303.602900272381 12.64415339345645 3.449592143367063 06_B2_Plasma_syngenic_42days_170427_UKy_GCH_rep3-acetone-NMR_A Lac-2 13C-B_9 4.245785562645902 630.2520709852683 7.839382840048249 2.925996935296667 07_C1-1_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Lac-2 13C-B_9 4.244960448565792 453.4114020675265 4.474952295384898 3.553707080991166 08_C1-2_Plasma_allogenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A Lac-2 13C-B_9 4.244543750498682 527.1124116681483 6.152550341797733 3.062519090365058 09_C2-0_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Lac-2 13C-B_9 4.244937412571211 696.949975737658 7.412401648814676 3.289182936258277 10_B1-0_Plasma_syngenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A Lac-2 13C-B_9 4.244883647154812 1078.682420743857 10.13839081713143 3.634710259142912 11_B1-1_Plasma_syngenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A Lac-2 13C-B_9 4.24528095468659 1665.657407224237 14.69340999464422 3.789189997025588 12_B1-2_Plasma_syngenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A Lac-2 13C-B_9 4.244787753332414 643.4221877447839 7.680615482822718 3.045222230733098 13_C1-1_Plasma_allogenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A Lac-2 13C-B_9 4.245344007290107 1309.471939671805 10.02571895724873 4.260750632143427 14_C1-2_Plasma_allogenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A Lac-2 13C-B_9 4.245651402021479 1121.124949311336 12.91868805319524 3.085346030057443 15_C1-20_Plasma_allogenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A Lac-2_1 4.086710980065371 1939.247036525619 26.92567112659798 2.853259064208464 01_A0_Plasma_naive_0days_170427_UKy_GCH_rep1-acetone-NMR_A Lac-2_1 4.087125148264835 1530.461951160205 16.83118603594816 3.447550481585483 02_A1_Plasma_naive_0days_170427_UKy_GCH_rep2-acetone-NMR_A Lac-2_1 4.087003507958801 1476.475977376522 19.09745826006537 2.947821102353533 03_A2_Plasma_naive_0days_170427_UKy_GCH_rep3-acetone-NMR_A Lac-2_1 4.086928153498067 1832.885731033998 26.67608166456823 2.644947266148948 04_B0_Plasma_syngenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Lac-2_1 4.087076142512549 1009.442714386059 12.08240074268257 2.987841593907335 05_B1_Plasma_syngenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A Lac-2_1 4.087095780954971 1200.392638444113 14.70267320774267 2.994140324807288 06_B2_Plasma_syngenic_42days_170427_UKy_GCH_rep3-acetone-NMR_A Lac-2_1 4.087391172194999 2071.361993967684 24.81740976799555 3.032055357215933 07_C1-1_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Lac-2_1 4.086536645774895 2176.610821786253 28.37182120248167 2.915116495205544 08_C1-2_Plasma_allogenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A Lac-2_1 4.085998139425556 1607.081541717129 20.29998121006541 2.962128602691981 09_C2-0_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Lac-2_1 4.086506530495912 1920.83645314827 26.08547301991842 2.879090132709558 10_B1-0_Plasma_syngenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A Lac-2_1 4.086318298938412 3462.965190441596 48.40301799084914 2.776058473514872 11_B1-1_Plasma_syngenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A Lac-2_1 4.086826807274853 1600.712136687014 20.25060518064254 2.976709567890128 12_B1-2_Plasma_syngenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A Lac-2_1 4.086121557733509 1252.258850479732 17.47946091740106 2.745860360204336 13_C1-1_Plasma_allogenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A Lac-2_1 4.086956289767016 305.0806700947014 3.852014248135752 2.87756915235357 14_C1-2_Plasma_allogenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A Lac-2_1 4.087170991674211 783.5768396041079 9.575283638349624 2.933975867088662 15_C1-20_Plasma_allogenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A Lac-2_2 4.098290157892717 5534.121041058174 79.82514204251214 2.775242780022978 01_A0_Plasma_naive_0days_170427_UKy_GCH_rep1-acetone-NMR_A Lac-2_2 4.098703328767327 4383.822407094402 50.1640654753604 3.336076719493993 02_A1_Plasma_naive_0days_170427_UKy_GCH_rep2-acetone-NMR_A Lac-2_2 4.098610511665672 4418.933295535173 57.39185277138816 2.9004740947666 03_A2_Plasma_naive_0days_170427_UKy_GCH_rep3-acetone-NMR_A Lac-2_2 4.098474801639754 5441.485893485104 80.35337112794728 2.585509689048867 04_B0_Plasma_syngenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Lac-2_2 4.098642048067187 2888.919972149708 35.70963568037696 2.919071140653497 05_B1_Plasma_syngenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A Lac-2_2 4.098607422600047 3318.052007058421 43.82108848571399 2.843991103790135 06_B2_Plasma_syngenic_42days_170427_UKy_GCH_rep3-acetone-NMR_A Lac-2_2 4.098889936770687 5981.147274203546 74.37564903192101 2.964867533229849 07_C1-1_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Lac-2_2 4.098140755241277 6524.682356472971 85.29214733665619 2.896346256103801 08_C1-2_Plasma_allogenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A Lac-2_2 4.097562446937671 4614.596370247924 60.92326550727787 2.874567829135665 09_C2-0_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Lac-2_2 4.098132489995593 6002.793801794288 78.20920817203226 2.912194229330843 10_B1-0_Plasma_syngenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A Lac-2_2 4.097923644950589 10228.31421603747 143.9429434587994 2.750416653008152 11_B1-1_Plasma_syngenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A Lac-2_2 4.098425210730896 4451.91550712583 59.47602358274843 2.877281235704074 12_B1-2_Plasma_syngenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A Lac-2_2 4.097739309474258 3804.783379762704 52.38990074268161 2.755542797483755 13_C1-1_Plasma_allogenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A Lac-2_2 4.098443735124827 1042.276608229708 12.8342227223218 3.064738157174018 14_C1-2_Plasma_allogenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A Lac-2_2 4.098781811663481 2108.471347160761 28.56804277274152 2.72902826832305 15_C1-20_Plasma_allogenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A Lac-2_3 4.109877788692197 5734.875208940667 82.28553132653205 2.723750909041865 01_A0_Plasma_naive_0days_170427_UKy_GCH_rep1-acetone-NMR_A Lac-2_3 4.110299809210145 4309.75476119843 50.92409588017703 3.266298819917716 02_A1_Plasma_naive_0days_170427_UKy_GCH_rep2-acetone-NMR_A Lac-2_3 4.1102489799833 4338.905810244608 58.01330401701165 2.858133844571219 03_A2_Plasma_naive_0days_170427_UKy_GCH_rep3-acetone-NMR_A Lac-2_3 4.110110477704081 5337.772200760171 80.25696476755948 2.590239008383354 04_B0_Plasma_syngenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Lac-2_3 4.110188495079639 2747.833603697584 36.03738589666982 2.834888700563921 05_B1_Plasma_syngenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A Lac-2_3 4.110364686644152 3485.372032694097 45.47335070913286 2.885093292670178 06_B2_Plasma_syngenic_42days_170427_UKy_GCH_rep3-acetone-NMR_A Lac-2_3 4.110510378438276 5448.844958861572 73.45817871542823 2.890827408698717 07_C1-1_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Lac-2_3 4.109755454175431 6159.55727097843 84.54536775572544 2.84725637444149 08_C1-2_Plasma_allogenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A Lac-2_3 4.109221315589656 4362.192989533009 60.06783142316961 2.839182196233991 09_C2-0_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Lac-2_3 4.109721942305422 5597.643317956607 77.279583826087 2.868120827807336 10_B1-0_Plasma_syngenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A Lac-2_3 4.109504240467977 10096.43739178185 142.7728096097815 2.738264270768434 11_B1-1_Plasma_syngenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A Lac-2_3 4.110099897194327 4536.281005644164 60.70501689546877 2.892259482003161 12_B1-2_Plasma_syngenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A Lac-2_3 4.109326534831967 3796.613230422214 52.55063181734415 2.77902544166281 13_C1-1_Plasma_allogenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A Lac-2_3 4.110350208785493 1249.416744810296 14.49387752325678 3.178149347822627 14_C1-2_Plasma_allogenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A Lac-2_3 4.110526796908355 2365.759989546551 30.00525524237317 2.918819505663852 15_C1-20_Plasma_allogenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A Lac-2_4 4.121560625773811 2247.165325477326 27.81472971123277 2.951462716600898 01_A0_Plasma_naive_0days_170427_UKy_GCH_rep1-acetone-NMR_A Lac-2_4 4.122043805005642 1623.672505127151 17.34429938008787 3.47958936677927 02_A1_Plasma_naive_0days_170427_UKy_GCH_rep2-acetone-NMR_A Lac-2_4 4.121991765300439 1790.995222868375 20.4426941503306 3.134701166598948 03_A2_Plasma_naive_0days_170427_UKy_GCH_rep3-acetone-NMR_A Lac-2_4 4.121780974348595 2031.599173453065 27.1275766955942 2.731212937251963 04_B0_Plasma_syngenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Lac-2_4 4.121888663059704 955.3944039317686 11.95288351847252 2.885711274131005 05_B1_Plasma_syngenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A Lac-2_4 4.122228034039219 1684.043224387838 17.90737656406275 3.295211521263813 06_B2_Plasma_syngenic_42days_170427_UKy_GCH_rep3-acetone-NMR_A Lac-2_4 4.12220457164687 1953.040197637 24.26075680998182 2.965037155662037 07_C1-1_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Lac-2_4 4.121377792045577 2220.777444867617 27.87443257550451 2.960184532330814 08_C1-2_Plasma_allogenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A Lac-2_4 4.120882856841758 1586.676802353448 19.79595113715614 2.963988893801369 09_C2-0_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Lac-2_4 4.121386683893293 2028.743655913759 25.44874302384536 2.972146976391616 10_B1-0_Plasma_syngenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A Lac-2_4 4.1211304612308 3444.088381972354 46.43271833079912 2.814329731175935 11_B1-1_Plasma_syngenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A Lac-2_4 4.121885274521591 1948.002869166657 21.92246907292015 3.185860240555532 12_B1-2_Plasma_syngenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A Lac-2_4 4.121007519085641 1308.953570432572 17.35017669865996 2.819460458020048 13_C1-1_Plasma_allogenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A Lac-2_4 4.12255085020974 678.3763201201219 6.512401995730014 3.678754896826191 14_C1-2_Plasma_allogenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A Lac-2_4 4.122377089930456 1368.64608714875 11.9154534334208 3.803995324625087 15_C1-20_Plasma_allogenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A Lac-3_1 1.313380704233657 34620.28632634929 506.1408985270041 2.734193483947144 01_A0_Plasma_naive_0days_170427_UKy_GCH_rep1-acetone-NMR_A Lac-3_1 1.313686952687901 30001.09875689098 332.7454758523234 3.366696539465166 02_A1_Plasma_naive_0days_170427_UKy_GCH_rep2-acetone-NMR_A Lac-3_1 1.313503344442732 28839.14084278464 377.9611073912155 2.852040246425652 03_A2_Plasma_naive_0days_170427_UKy_GCH_rep3-acetone-NMR_A Lac-3_1 1.313525799241819 34173.89776644702 514.9389715150869 2.52417822008948 04_B0_Plasma_syngenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Lac-3_1 1.313611436248661 19340.73984497252 239.9815361029551 2.879992126667356 05_B1_Plasma_syngenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A Lac-3_1 1.313664502240068 22762.85514600553 307.2301099899583 2.773071504147226 06_B2_Plasma_syngenic_42days_170427_UKy_GCH_rep3-acetone-NMR_A Lac-3_1 1.313726346244144 37108.41187197419 465.8441821124774 2.891072026848182 07_C1-1_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Lac-3_1 1.313053296151324 39223.6060968084 520.1136305442917 2.836599373040243 08_C1-2_Plasma_allogenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A Lac-3_1 1.312649472062545 28725.47438011173 377.0905462846796 2.800132246378424 09_C2-0_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Lac-3_1 1.313070790020746 38372.58537502978 501.5599495690146 2.820653751442015 10_B1-0_Plasma_syngenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A Lac-3_1 1.312899176048173 62210.97165045368 885.8037135388297 2.698091843456468 11_B1-1_Plasma_syngenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A Lac-3_1 1.313506235953462 30479.17686721121 402.6118829543157 2.865481480064587 12_B1-2_Plasma_syngenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A Lac-3_1 1.312749631268614 22877.20929425463 328.9087716371662 2.66134212726554 13_C1-1_Plasma_allogenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A Lac-3_1 1.313839239095154 8527.952493078721 112.3875873531909 2.879197183471827 14_C1-2_Plasma_allogenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A Lac-3_1 1.313893511833879 15520.07665549346 203.0825885592649 2.797159946025262 15_C1-20_Plasma_allogenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A Lac-3_2 1.324899951863809 34853.76481789567 512.1234943332186 2.677355049647084 01_A0_Plasma_naive_0days_170427_UKy_GCH_rep1-acetone-NMR_A Lac-3_2 1.32519885860246 27984.4818839336 331.4247948695441 3.206344698425118 02_A1_Plasma_naive_0days_170427_UKy_GCH_rep2-acetone-NMR_A Lac-3_2 1.325044127430352 27821.49302343016 376.4567763461578 2.792454954577801 03_A2_Plasma_naive_0days_170427_UKy_GCH_rep3-acetone-NMR_A Lac-3_2 1.325117546754347 32271.99639585798 512.9490661609927 2.442669959559963 04_B0_Plasma_syngenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Lac-3_2 1.325142736490122 16773.09219602329 237.9505885470013 2.657477134189483 05_B1_Plasma_syngenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A Lac-3_2 1.325153207190564 21673.45207544192 306.8001179140106 2.703102544768168 06_B2_Plasma_syngenic_42days_170427_UKy_GCH_rep3-acetone-NMR_A Lac-3_2 1.325265402129993 34537.62890391861 464.069897496784 2.780312316367427 07_C1-1_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Lac-3_2 1.324616381887299 38409.9983032407 527.2540858888029 2.771944120510797 08_C1-2_Plasma_allogenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A Lac-3_2 1.324205101092135 26997.37335444638 375.9640555081328 2.738446658112922 09_C2-0_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Lac-3_2 1.324618186813268 34642.10277033062 494.1946653518722 2.755433287746941 10_B1-0_Plasma_syngenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A Lac-3_2 1.32442679291919 59761.05553251857 888.1075741271876 2.674457536542072 11_B1-1_Plasma_syngenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A Lac-3_2 1.325004621754584 29340.35286543984 403.9112096454741 2.802912535551695 12_B1-2_Plasma_syngenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A Lac-3_2 1.324269089517319 22214.89586106016 332.6867274334802 2.568193021657583 13_C1-1_Plasma_allogenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A Lac-3_2 1.325202816223886 8373.89358318666 115.187036274182 2.786148431294885 14_C1-2_Plasma_allogenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A Lac-3_2 1.325363340898173 15200.24269913013 206.9858998848264 2.696789969984352 15_C1-20_Plasma_allogenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A Lac13C-A_1 1.196710590701779 3209.410536393496 46.72320804656975 2.6062580900337 01_A0_Plasma_naive_0days_170427_UKy_GCH_rep1-acetone-NMR_A Lac13C-A_1 1.197031270696713 5561.659066534699 64.9466591126835 3.164657028717359 02_A1_Plasma_naive_0days_170427_UKy_GCH_rep2-acetone-NMR_A Lac13C-A_1 1.196904278549423 7098.10147161267 103.7801097458251 2.690005624456247 03_A2_Plasma_naive_0days_170427_UKy_GCH_rep3-acetone-NMR_A Lac13C-A_1 1.204303891103838 7564.014333414523 89.44811819909943 2.967678834376728 04_B0_Plasma_syngenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Lac13C-A_1 1.20437166678055 9989.409137673858 116.0757674863937 3.04403330830338 05_B1_Plasma_syngenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A Lac13C-A_1 1.197076813987251 7301.76217880181 104.1582531714128 2.643877641235588 06_B2_Plasma_syngenic_42days_170427_UKy_GCH_rep3-acetone-NMR_A Lac13C-A_1 1.204455535028138 13175.72438494079 167.2009519268802 2.881821133848416 07_C1-1_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Lac13C-A_1 1.203808850479878 6693.132356903598 77.67018646874881 3.076705556816834 08_C1-2_Plasma_allogenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A Lac13C-A_1 1.203382858470841 9672.795830556388 119.6300773767939 2.949739844543103 09_C2-0_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Lac13C-A_1 1.2037906401621 10561.1041748594 135.1271198375447 2.900413401153776 10_B1-0_Plasma_syngenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A Lac13C-A_1 1.196280490929608 6168.580035707364 83.5466845631851 2.774955628395493 11_B1-1_Plasma_syngenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A Lac13C-A_1 1.196849947953189 7214.759990346242 106.6775917781849 2.643112076912401 12_B1-2_Plasma_syngenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A Lac13C-A_1 1.196178101396787 4605.775803472152 70.69682712687062 2.552116006909367 13_C1-1_Plasma_allogenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A Lac13C-A_1 1.197076832219164 3931.976191647971 56.26639412748254 2.651469256851948 14_C1-2_Plasma_allogenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A Lac13C-A_1 1.197230278207187 6425.730793596436 108.1096092211429 2.375814850422884 15_C1-20_Plasma_allogenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A Lac13C-A_2 1.20394486415917 8046.653350704579 96.69745691264816 2.970862575326017 01_A0_Plasma_naive_0days_170427_UKy_GCH_rep1-acetone-NMR_A Lac13C-A_2 1.204302114152949 14301.49847291029 137.8782408230161 3.718882049859082 02_A1_Plasma_naive_0days_170427_UKy_GCH_rep2-acetone-NMR_A Lac13C-A_2 1.204071482750429 15749.90398699932 204.2539628692538 2.861442673599393 03_A2_Plasma_naive_0days_170427_UKy_GCH_rep3-acetone-NMR_A Lac13C-A_2 1.209073645457969 3407.12663021276 41.51760125204733 2.844328013799309 04_B0_Plasma_syngenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Lac13C-A_2 1.209091578649869 3909.568867769601 50.74485801418272 2.700990959528781 05_B1_Plasma_syngenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A Lac13C-A_2 1.204262802899066 15666.38429466881 207.3066237985223 2.778091271041845 06_B2_Plasma_syngenic_42days_170427_UKy_GCH_rep3-acetone-NMR_A Lac13C-A_2 1.209870699493748 16961.98216359892 129.903574818328 4.593005306345238 07_C1-1_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Lac13C-A_2 1.209159072037237 7733.812379890526 56.01214848658227 4.924927348734689 08_C1-2_Plasma_allogenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A Lac13C-A_2 1.208881502355789 11079.47448102874 89.46392885128374 4.431160085497006 09_C2-0_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Lac13C-A_2 1.209382523819929 12307.58989940248 103.0522911618837 4.308259580284817 10_B1-0_Plasma_syngenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A Lac13C-A_2 1.203598015827001 14067.76879742648 167.2108203226748 3.035598311454996 11_B1-1_Plasma_syngenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A Lac13C-A_2 1.204129044573463 20059.66586568897 230.4284554231626 3.135520221634513 12_B1-2_Plasma_syngenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A Lac13C-A_2 1.203392595932692 10641.31088553664 143.252240558627 2.773026484706888 13_C1-1_Plasma_allogenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A Lac13C-A_2 1.204160029891145 7254.944390826823 105.2242914182987 2.64469865808877 14_C1-2_Plasma_allogenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A Lac13C-A_2 1.204355826822339 17755.64188626032 233.2059359674376 2.735508176656675 15_C1-20_Plasma_allogenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A Lac13C-A_3 1.20957779299696 8462.94389614659 71.40587265845976 4.358630133003687 01_A0_Plasma_naive_0days_170427_UKy_GCH_rep1-acetone-NMR_A Lac13C-A_3 1.209928414512889 19242.99708165849 120.5487758834605 5.424468101750413 02_A1_Plasma_naive_0days_170427_UKy_GCH_rep2-acetone-NMR_A Lac13C-A_3 1.209637966141943 20914.94316350972 166.8772362108896 4.493514879373798 03_A2_Plasma_naive_0days_170427_UKy_GCH_rep3-acetone-NMR_A Lac13C-A_3 1.211615857467495 2793.480833150446 32.11509121707497 2.97807162216905 04_B0_Plasma_syngenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Lac13C-A_3 1.211609932618687 4117.618615766757 46.22535597582406 3.136837573476554 05_B1_Plasma_syngenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A Lac13C-A_3 1.209769917519947 20037.64992545201 164.9690550363886 4.238139616705164 06_B2_Plasma_syngenic_42days_170427_UKy_GCH_rep3-acetone-NMR_A Lac13C-A_3 1.216088452167563 16761.72074122489 179.5950945681343 3.171548674145102 07_C1-1_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Lac13C-A_3 1.215432640277606 9143.477187077733 86.23660192764459 3.534786796802525 08_C1-2_Plasma_allogenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A Lac13C-A_3 1.215008068090715 11957.63879867467 126.9621696516433 3.239707710759716 09_C2-0_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Lac13C-A_3 1.2153890045087 12349.80458257952 141.1138497597246 3.101373994635811 10_B1-0_Plasma_syngenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A Lac13C-A_3 1.209178556150434 13835.70042817665 118.4029363426802 4.276751614837953 11_B1-1_Plasma_syngenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A Lac13C-A_3 1.209783546331649 15966.87598283069 158.2565432663995 3.82809826317064 12_B1-2_Plasma_syngenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A Lac13C-A_3 1.208949544715789 11261.74653492926 104.628489122757 3.954068467530971 13_C1-1_Plasma_allogenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A Lac13C-A_3 1.209785698502075 12212.23851946156 93.35055445372244 4.613023466149473 14_C1-2_Plasma_allogenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A Lac13C-A_3 1.208760149957009 8289.775924896332 102.8645466325995 2.862827858144462 15_C1-20_Plasma_allogenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A Lac13C-A_4 1.215550013816874 9071.019589763502 101.3351292826995 3.146893577412576 01_A0_Plasma_naive_0days_170427_UKy_GCH_rep1-acetone-NMR_A Lac13C-A_4 1.21593530308008 15267.01980299471 144.2809768529879 3.747313577345477 02_A1_Plasma_naive_0days_170427_UKy_GCH_rep2-acetone-NMR_A Lac13C-A_4 1.215680192451186 19508.29772515607 217.765826193585 3.099269831597593 03_A2_Plasma_naive_0days_170427_UKy_GCH_rep3-acetone-NMR_A Lac13C-A_4 1.215873785799414 7019.749217034064 88.47174611065383 2.802363056433214 04_B0_Plasma_syngenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Lac13C-A_4 1.215890266752842 9213.391712447517 112.3823906624455 2.869120238809094 05_B1_Plasma_syngenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A Lac13C-A_4 1.215857749985281 19669.09806474659 218.6694802216436 3.084474137922604 06_B2_Plasma_syngenic_42days_170427_UKy_GCH_rep3-acetone-NMR_A Lac13C-A_4 1.223092655771782 3443.702762950318 70.21677768501857 2.337623156511841 07_C1-1_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Lac13C-A_4 1.222390032040201 1869.371345356015 28.8496046358689 2.494897137932317 08_C1-2_Plasma_allogenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A Lac13C-A_4 1.222049415873762 2481.294435523671 48.82994617464796 2.336520115812267 09_C2-0_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Lac13C-A_4 1.222434100904322 3021.620135978109 57.46918769111652 2.335134092535994 10_B1-0_Plasma_syngenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A Lac13C-A_4 1.215148642486005 16080.7521104429 174.4938123757776 3.139000172314533 11_B1-1_Plasma_syngenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A Lac13C-A_4 1.215601932556607 21052.97771618507 234.7056680312543 3.178791669132824 12_B1-2_Plasma_syngenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A Lac13C-A_4 1.21500844353613 13613.53349921349 151.882241896436 3.131414187101943 13_C1-1_Plasma_allogenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A Lac13C-A_4 1.215838179359532 9176.827866028672 111.3141081029032 2.922347398729585 14_C1-2_Plasma_allogenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A Lac13C-A_4 1.211116419176704 7495.561796591332 100.6154660347399 2.722725125458768 15_C1-20_Plasma_allogenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A Lac13C-A_5 1.222672980460768 2721.189219509785 43.07283211876408 2.489413291374962 01_A0_Plasma_naive_0days_170427_UKy_GCH_rep1-acetone-NMR_A Lac13C-A_5 1.223052924457204 4356.333789779138 62.42296849197637 2.727367274772585 02_A1_Plasma_naive_0days_170427_UKy_GCH_rep2-acetone-NMR_A Lac13C-A_5 1.222835693541246 5614.678048498287 95.06468617041733 2.407760008788635 03_A2_Plasma_naive_0days_170427_UKy_GCH_rep3-acetone-NMR_A Lac13C-A_5 1.222849403379232 2064.330526221429 37.24798986414417 2.304231474739141 04_B0_Plasma_syngenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Lac13C-A_5 1.222908607633189 2630.701297181669 47.73067227156212 2.34075361272413 05_B1_Plasma_syngenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A Lac13C-A_5 1.223024100063499 4658.891760083438 92.7478943550201 2.294487987886243 06_B2_Plasma_syngenic_42days_170427_UKy_GCH_rep3-acetone-NMR_A Lac13C-A_5 1.223092655771782 3443.702762950318 70.21677768501857 2.337623156511841 07_C1-1_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Lac13C-A_5 1.222390032040201 1869.371345356015 28.8496046358689 2.494897137932317 08_C1-2_Plasma_allogenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A Lac13C-A_5 1.222049415873762 2481.294435523671 48.82994617464796 2.336520115812267 09_C2-0_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Lac13C-A_5 1.222434100904322 3021.620135978109 57.46918769111652 2.335134092535994 10_B1-0_Plasma_syngenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A Lac13C-A_5 1.222277568040438 4151.587709915666 73.44888264180867 2.282856978160689 11_B1-1_Plasma_syngenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A Lac13C-A_5 1.22279999315581 6277.02787964981 103.2709344137726 2.403215664546132 12_B1-2_Plasma_syngenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A Lac13C-A_5 1.222137515796544 2981.167184933506 61.84381918293134 2.297628277000438 13_C1-1_Plasma_allogenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A Lac13C-A_5 1.222950247665934 2559.077991186954 50.32743806077452 2.370251558742446 14_C1-2_Plasma_allogenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A Lac13C-A_5 1.215891396013475 20767.83379466287 244.8206681577688 2.985021794840457 15_C1-20_Plasma_allogenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A Lac13C-A_6 1.222849403379232 2064.330526221429 37.24798986414417 2.304231474739141 04_B0_Plasma_syngenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Lac13C-A_6 1.222908607633189 2630.701297181669 47.73067227156212 2.34075361272413 05_B1_Plasma_syngenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A Lac13C-A_6 1.223087574782459 6472.257340542974 108.8953655637824 2.379402424648491 15_C1-20_Plasma_allogenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A Lac13C-B_1 1.409838478360999 2422.797397119612 42.43690813286083 2.366483380535812 01_A0_Plasma_naive_0days_170427_UKy_GCH_rep1-acetone-NMR_A Lac13C-B_1 1.410221006430139 4899.499886228071 63.92980679730207 3.04198323731818 02_A1_Plasma_naive_0days_170427_UKy_GCH_rep2-acetone-NMR_A Lac13C-B_1 1.410066205481946 6050.494438779928 98.12891596595139 2.479032773798953 03_A2_Plasma_naive_0days_170427_UKy_GCH_rep3-acetone-NMR_A Lac13C-B_1 1.41012550256344 2372.38226247625 37.81190025113742 2.430888887805426 04_B0_Plasma_syngenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Lac13C-B_1 1.410186411603399 3473.898548582806 51.22380051570352 2.558674828272721 05_B1_Plasma_syngenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A Lac13C-B_1 1.410245200351921 7049.713746349818 104.9556910844559 2.602104170796594 06_B2_Plasma_syngenic_42days_170427_UKy_GCH_rep3-acetone-NMR_A Lac13C-B_1 1.410352578499867 4921.57933559229 77.89627816024694 2.586722349203595 07_C1-1_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Lac13C-B_1 1.409703626559233 2198.799685825894 32.54049935662572 2.681052343280185 08_C1-2_Plasma_allogenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A Lac13C-B_1 1.409340178001808 3866.694389530194 55.51986567471937 2.660517803843911 09_C2-0_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Lac13C-B_1 1.409717820635161 4216.290689233706 62.78563280659672 2.651191547707687 10_B1-0_Plasma_syngenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A Lac13C-B_1 1.409526864235626 5098.922407505232 75.82627911397499 2.583923559235184 11_B1-1_Plasma_syngenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A Lac13C-B_1 1.410048801377995 6943.433877791721 102.2257800821592 2.577143913314927 12_B1-2_Plasma_syngenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A Lac13C-B_1 1.409368223686155 4335.097204657734 69.75378191026276 2.521928368196491 13_C1-1_Plasma_allogenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A Lac13C-B_1 1.410192881271519 3666.129075802412 55.60275855110458 2.656511759667987 14_C1-2_Plasma_allogenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A Lac13C-B_1 1.410325718809437 5878.848885442547 104.7694878130073 2.305348309586472 15_C1-20_Plasma_allogenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A Lac13C-B_2 1.417045900974985 8595.249974009183 97.71568251033051 3.101124011694546 01_A0_Plasma_naive_0days_170427_UKy_GCH_rep1-acetone-NMR_A Lac13C-B_2 1.417391362601392 12981.57557550202 138.873099127513 3.455645341775366 02_A1_Plasma_naive_0days_170427_UKy_GCH_rep2-acetone-NMR_A Lac13C-B_2 1.417200525770522 17149.39960782122 211.6372501267514 2.977709214763159 03_A2_Plasma_naive_0days_170427_UKy_GCH_rep3-acetone-NMR_A Lac13C-B_2 1.417425688200351 7802.819711294159 92.79224770963178 2.986890525211852 04_B0_Plasma_syngenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Lac13C-B_2 1.417436413604522 10412.85813594206 118.9400890459898 3.086502739240535 05_B1_Plasma_syngenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A Lac13C-B_2 1.417335703768165 14533.37236012026 203.7127450148718 2.72331457078907 06_B2_Plasma_syngenic_42days_170427_UKy_GCH_rep3-acetone-NMR_A Lac13C-B_2 1.417509313001974 14136.64224562483 174.7997253208112 2.944359972464103 07_C1-1_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Lac13C-B_2 1.416878560470609 7537.837876437457 84.02184496484672 3.219456368823608 08_C1-2_Plasma_allogenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A Lac13C-B_2 1.416476514419978 9905.035186657922 122.2016976071565 2.97265382959844 09_C2-0_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Lac13C-B_2 1.41688117155783 11347.51306739675 140.5315174625509 2.985425560922984 10_B1-0_Plasma_syngenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A Lac13C-B_2 1.416705070051115 14188.53155412713 169.6162704025207 3.033659412638155 11_B1-1_Plasma_syngenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A Lac13C-B_2 1.417201293900826 18325.34960505809 217.7179107607897 3.040163428224377 12_B1-2_Plasma_syngenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A Lac13C-B_2 1.416439975814844 9719.095404436233 141.5065273858123 2.640086180012098 13_C1-1_Plasma_allogenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A Lac13C-B_2 1.417305017590277 7914.566511145117 109.9894440548199 2.751388869494599 14_C1-2_Plasma_allogenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A Lac13C-B_2 1.417473424043536 18764.47328061504 232.9257430328079 2.877410955008211 15_C1-20_Plasma_allogenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A Lac13C-B_3 1.422739866830034 8538.51192929038 71.43316227681227 4.371081950532298 01_A0_Plasma_naive_0days_170427_UKy_GCH_rep1-acetone-NMR_A Lac13C-B_3 1.423031890111299 18315.42299104356 122.7625830305924 5.136522691887414 02_A1_Plasma_naive_0days_170427_UKy_GCH_rep2-acetone-NMR_A Lac13C-B_3 1.422821801071362 18341.05142147283 160.8929735932206 4.19567937002391 03_A2_Plasma_naive_0days_170427_UKy_GCH_rep3-acetone-NMR_A Lac13C-B_3 1.42219155271619 2819.150048691934 39.68544818106855 2.540169658056507 04_B0_Plasma_syngenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Lac13C-B_3 1.422270472116871 4309.012021711118 54.5646162701398 2.780632632861906 05_B1_Plasma_syngenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A Lac13C-B_3 1.422839103904643 20302.38804302818 167.8352031712886 4.424953414797429 06_B2_Plasma_syngenic_42days_170427_UKy_GCH_rep3-acetone-NMR_A Lac13C-B_3 1.422987847991102 15465.83389441529 128.9696372264357 4.398172529501045 07_C1-1_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Lac13C-B_3 1.422383967539998 7097.339323803046 56.97951827135689 4.548612369405878 08_C1-2_Plasma_allogenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A Lac13C-B_3 1.421989422148116 10558.65072929433 90.09230683087041 4.294997938806042 09_C2-0_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Lac13C-B_3 1.422509586584914 11784.41722446142 102.0181210138562 4.21119031240326 10_B1-0_Plasma_syngenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A Lac13C-B_3 1.422285509190242 13448.30379469624 118.2853478794315 4.184336045850758 11_B1-1_Plasma_syngenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A Lac13C-B_3 1.422774387949877 19062.46485369278 164.9491338469575 4.260696341940841 12_B1-2_Plasma_syngenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A Lac13C-B_3 1.422048412918795 13283.39635221331 114.3529523586321 4.244183236422621 13_C1-1_Plasma_allogenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A Lac13C-B_3 1.422942569994257 10636.21671713761 90.03669396449962 4.255164419214766 14_C1-2_Plasma_allogenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A Lac13C-B_3 1.421941915544949 7584.244211866209 92.75919832403903 2.914773685526204 15_C1-20_Plasma_allogenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A Lac13C-B_4 1.428705266227003 9011.434195324182 100.6376634796399 3.158101004103167 01_A0_Plasma_naive_0days_170427_UKy_GCH_rep1-acetone-NMR_A Lac13C-B_4 1.429066450241941 15880.9252795475 145.6072272938563 3.861841938944339 02_A1_Plasma_naive_0days_170427_UKy_GCH_rep2-acetone-NMR_A Lac13C-B_4 1.428791416366283 20119.09211925547 221.6608954216955 3.141913103863957 03_A2_Plasma_naive_0days_170427_UKy_GCH_rep3-acetone-NMR_A Lac13C-B_4 1.424689476078868 3008.954674267485 35.56935401845235 2.941436491332379 04_B0_Plasma_syngenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Lac13C-B_4 1.424822606068621 3920.330793106926 45.14090443175552 3.041094410172875 05_B1_Plasma_syngenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A Lac13C-B_4 1.428961731150823 19061.97797487242 216.9564096178886 3.034783590291773 06_B2_Plasma_syngenic_42days_170427_UKy_GCH_rep3-acetone-NMR_A Lac13C-B_4 1.429210390712883 16771.0721926107 179.8467485630934 3.237688544271604 07_C1-1_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Lac13C-B_4 1.428549753107573 9020.200949189504 87.44571402510259 3.485704685850654 08_C1-2_Plasma_allogenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A Lac13C-B_4 1.428112049398379 12136.49391524716 128.6681680536516 3.246399244446521 09_C2-0_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Lac13C-B_4 1.428522875523121 13295.05339147907 143.7560400773339 3.236381686213848 10_B1-0_Plasma_syngenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A Lac13C-B_4 1.428283915222787 16665.22083421593 174.4241274891842 3.257940506075383 11_B1-1_Plasma_syngenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A Lac13C-B_4 1.428772716193963 21152.12531457698 229.7200424427273 3.209602839960539 12_B1-2_Plasma_syngenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A Lac13C-B_4 1.428111945707377 12311.34841642672 146.6844655845059 2.928548768848028 13_C1-1_Plasma_allogenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A Lac13C-B_4 1.428954356056392 10017.78301475188 113.5971261806985 3.078951658119991 14_C1-2_Plasma_allogenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A Lac13C-B_4 1.424249979483582 9017.346115884959 107.7065449157152 3.027006721730084 15_C1-20_Plasma_allogenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A Lac13C-B_5 1.435765862529365 2693.956792233029 43.35986676964158 2.539638313223229 01_A0_Plasma_naive_0days_170427_UKy_GCH_rep1-acetone-NMR_A Lac13C-B_5 1.43617404068282 3890.759733931684 61.97406667376221 2.589728576471127 02_A1_Plasma_naive_0days_170427_UKy_GCH_rep2-acetone-NMR_A Lac13C-B_5 1.435961138017847 5368.456732964562 95.18552564618093 2.364301622608453 03_A2_Plasma_naive_0days_170427_UKy_GCH_rep3-acetone-NMR_A Lac13C-B_5 1.428980873623434 6949.306925018554 88.27326942747722 2.794597267809083 04_B0_Plasma_syngenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Lac13C-B_5 1.429033890583308 9103.37594849737 112.3157104855398 2.864271938581749 05_B1_Plasma_syngenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A Lac13C-B_5 1.436120101443139 4801.003053852838 94.99098072781905 2.341837732278292 06_B2_Plasma_syngenic_42days_170427_UKy_GCH_rep3-acetone-NMR_A Lac13C-B_5 1.436233112111855 3402.71047648685 69.06619884538071 2.348276222381302 07_C1-1_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Lac13C-B_5 1.435454765852481 1940.773918566277 29.4016183303974 2.504543113234757 08_C1-2_Plasma_allogenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A Lac13C-B_5 1.435164402129821 2680.024234229437 49.37299780591925 2.445945895926464 09_C2-0_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Lac13C-B_5 1.435600096493015 2771.180946024464 55.7523756471968 2.367087392555361 10_B1-0_Plasma_syngenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A Lac13C-B_5 1.435380769665086 4185.261756113431 69.3031546430596 2.388316516341572 11_B1-1_Plasma_syngenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A Lac13C-B_5 1.435932946058244 5594.645463787465 98.4006585376214 2.462989902525391 12_B1-2_Plasma_syngenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A Lac13C-B_5 1.435211849352677 3305.059858415863 64.15440653241866 2.366205417069451 13_C1-1_Plasma_allogenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A Lac13C-B_5 1.436085272484825 2652.124765541373 51.08957375407173 2.30438912320718 14_C1-2_Plasma_allogenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A Lac13C-B_5 1.429056737077635 19327.30549059264 239.3395629537421 2.885103281009273 15_C1-20_Plasma_allogenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A Lac13C-B_6 1.435939260962224 2060.848929988415 38.11554460563908 2.328205494471225 04_B0_Plasma_syngenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Lac13C-B_6 1.436008413660355 2664.288965211855 48.79845597712377 2.364282099487264 05_B1_Plasma_syngenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A Lac13C-B_6 1.43618693901606 6613.221866647778 109.2219208801591 2.461117041349446 15_C1-20_Plasma_allogenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A Me-His A_1 7.082564081406194 470.8745771229939 5.211597442702533 3.508589055926355 01_A0_Plasma_naive_0days_170427_UKy_GCH_rep1-acetone-NMR_A Me-His A_1 7.084282401059474 461.3037777606251 4.157353337758051 4.198944188845908 02_A1_Plasma_naive_0days_170427_UKy_GCH_rep2-acetone-NMR_A Me-His A_1 7.083520648360213 486.5375960810941 5.138334004499937 3.660875169276423 03_A2_Plasma_naive_0days_170427_UKy_GCH_rep3-acetone-NMR_A Me-His A_1 7.088442741172628 367.0955318397126 4.196306611239387 3.418840020392098 04_B0_Plasma_syngenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Me-His A_1 7.081549490402175 403.2275505967474 4.224313858606042 3.621752929993509 05_B1_Plasma_syngenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A Me-His A_1 7.083622140904563 561.4956132132671 6.313284802281916 3.475824819455086 06_B2_Plasma_syngenic_42days_170427_UKy_GCH_rep3-acetone-NMR_A Me-His A_1 7.08603182138678 429.6751157669362 4.751223019701448 3.515611063994988 07_C1-1_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Me-His A_1 7.077721690994833 267.2176101823996 2.913380952514177 3.584550415838232 08_C1-2_Plasma_allogenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A Me-His A_1 7.08493466887237 276.0031299134253 3.008380728198142 3.585486594038189 09_C2-0_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Me-His A_1 7.079283183931206 372.9028827847616 3.948674757929397 3.600054683675247 10_B1-0_Plasma_syngenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A Me-His A_1 7.08999455707136 470.4406244446902 4.191524127079097 4.088125938129711 11_B1-1_Plasma_syngenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A Me-His A_1 7.090146141478852 513.3029774862183 5.392572966653816 3.611624193829235 12_B1-2_Plasma_syngenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A Me-His A_1 7.088374237395226 307.4009885718778 3.667885940203918 3.315024407635304 13_C1-1_Plasma_allogenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A Me-His A_1 7.094779833354429 367.4804009079988 4.138141865878674 3.481371074849378 14_C1-2_Plasma_allogenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A Me-His A_1 7.084439264101206 438.9156240273197 5.085664315713093 3.431936150605801 15_C1-20_Plasma_allogenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A Me-His B_1 7.869788131844437 484.1657675990509 5.435049662203133 3.481428313642755 01_A0_Plasma_naive_0days_170427_UKy_GCH_rep1-acetone-NMR_A Me-His B_1 7.873561834787258 395.7586278843288 4.097440633631007 3.731347753887597 02_A1_Plasma_naive_0days_170427_UKy_GCH_rep2-acetone-NMR_A Me-His B_1 7.871491715393031 487.2821493288513 5.426071365338514 3.452243425277139 03_A2_Plasma_naive_0days_170427_UKy_GCH_rep3-acetone-NMR_A Me-His B_1 7.885786829879582 357.0999250540438 4.323792158239742 3.276464193886029 04_B0_Plasma_syngenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Me-His B_1 7.866415434543388 384.6411671573002 4.410967453876403 3.346211548435358 05_B1_Plasma_syngenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A Me-His B_1 7.872199739557921 565.1505517825468 6.671278853909179 3.310716213366193 06_B2_Plasma_syngenic_42days_170427_UKy_GCH_rep3-acetone-NMR_A Me-His B_1 7.87779286227499 410.0324761798716 4.947727350818675 3.236074816972943 07_C1-1_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Me-His B_1 7.856284302737356 300.8375966267187 3.042052056172944 3.679173540157031 08_C1-2_Plasma_allogenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A Me-His B_1 7.877809013891591 251.8348680890308 3.018490665638429 3.378484223506327 09_C2-0_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Me-His B_1 7.860689202158166 412.6753586296267 3.923845464716654 3.84192260057067 10_B1-0_Plasma_syngenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A Me-His B_1 7.890373784125096 373.1858786187597 4.37908700640733 3.398149863058166 11_B1-1_Plasma_syngenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A Me-His B_1 7.890408913830087 475.9297155175152 5.652441139430299 3.362742976508135 12_B1-2_Plasma_syngenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A Me-His B_1 7.8865481593336 299.5208210617882 3.771312041032104 3.209827425380802 13_C1-1_Plasma_allogenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A Me-His B_1 7.903258352884516 355.8024295072814 4.359881269627508 3.318557664942208 14_C1-2_Plasma_allogenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A Me-His B_1 7.873661831033707 445.8058704943959 5.334887473375295 3.328185365936783 15_C1-20_Plasma_allogenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A Met-CH3_1 2.123283877230389 3043.380998797172 30.29773924786849 3.521909660178727 01_A0_Plasma_naive_0days_170427_UKy_GCH_rep1-acetone-NMR_A Met-CH3_1 2.123672336238775 2876.166811732742 24.35648091519806 4.13197167520294 02_A1_Plasma_naive_0days_170427_UKy_GCH_rep2-acetone-NMR_A Met-CH3_1 2.123501779674038 3013.443889521336 31.11580812014661 3.411805646386318 03_A2_Plasma_naive_0days_170427_UKy_GCH_rep3-acetone-NMR_A Met-CH3_1 2.123576120820962 2413.741976165165 29.482452305845 2.930211987910818 04_B0_Plasma_syngenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Met-CH3_1 2.123624640623259 2129.343255651168 20.51336062264921 3.567527271119587 05_B1_Plasma_syngenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A Met-CH3_1 2.123585794608212 3201.320381744928 38.4179498859773 3.038324871219121 06_B2_Plasma_syngenic_42days_170427_UKy_GCH_rep3-acetone-NMR_A Met-CH3_1 2.123892406281253 2522.35625518829 24.84520851587709 3.588651224342664 07_C1-1_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Met-CH3_1 2.123208884411587 2034.602497074972 20.11598055646571 3.630236468563228 08_C1-2_Plasma_allogenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A Met-CH3_1 2.122738703216004 1726.800832722601 17.91132812130034 3.456535752572965 09_C2-0_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Met-CH3_1 2.1231796823493 2861.673975855777 26.37763711605155 3.78543005704598 10_B1-0_Plasma_syngenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A Met-CH3_1 2.123011649822331 2462.393118385163 24.4633530597856 3.582462335878718 11_B1-1_Plasma_syngenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A Met-CH3_1 2.123469465629238 3071.80410117839 34.59450019304245 3.208424007019677 12_B1-2_Plasma_syngenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A Met-CH3_1 2.122921001357424 2346.916534446709 21.88357403214383 3.742056612257572 13_C1-1_Plasma_allogenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A Met-CH3_1 2.123694742138169 2186.742246279766 23.8148208062598 3.292129202060674 14_C1-2_Plasma_allogenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A Met-CH3_1 2.123779714631894 2653.075445884985 29.10603182652148 3.19386745734181 15_C1-20_Plasma_allogenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A Phe-2,6_1 7.31038851759594 1390.202221092171 15.34802730080433 3.571618767486631 01_A0_Plasma_naive_0days_170427_UKy_GCH_rep1-acetone-NMR_A Phe-2,6_1 7.310860594370271 1050.213669536842 9.253096473472551 4.286706733194475 02_A1_Plasma_naive_0days_170427_UKy_GCH_rep2-acetone-NMR_A Phe-2,6_1 7.310897851671322 1236.280943296282 12.06781083183847 3.828675568717778 03_A2_Plasma_naive_0days_170427_UKy_GCH_rep3-acetone-NMR_A Phe-2,6_1 7.310674466254962 1233.194975241857 13.78832887083551 3.537691069470356 04_B0_Plasma_syngenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Phe-2,6_1 7.310584568442143 1026.380247458907 10.80341420163376 3.772799216343997 05_B1_Plasma_syngenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A Phe-2,6_1 7.310778357047055 1539.694684578936 15.8383359383652 3.735575763702302 06_B2_Plasma_syngenic_42days_170427_UKy_GCH_rep3-acetone-NMR_A Phe-2,6_1 7.310879788567003 918.5701169573628 9.899185902595017 3.832346668312004 07_C1-1_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Phe-2,6_1 7.310279699877657 800.9298273434575 7.35803522754512 4.103440779518582 08_C1-2_Plasma_allogenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A Phe-2,6_1 7.309577124444458 842.9383463114106 8.363472805474355 3.869241518956462 09_C2-0_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Phe-2,6_1 7.310327501341711 1100.248788729932 10.28132897358898 3.900730518079084 10_B1-0_Plasma_syngenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A Phe-2,6_1 7.31013571398331 1025.519519072645 10.1971461074914 3.815839411424155 11_B1-1_Plasma_syngenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A Phe-2,6_1 7.31058323439017 1403.498566768598 15.16180321768542 3.660540922586045 12_B1-2_Plasma_syngenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A Phe-2,6_1 7.309637036973347 637.9784412774898 6.756071546948164 3.800505948788401 13_C1-1_Plasma_allogenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A Phe-2,6_1 7.310629812868029 866.7451268192326 8.96284329874451 3.826251707251755 14_C1-2_Plasma_allogenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A Phe-2,6_1 7.310893288189831 1044.280432570651 11.24289899856351 3.758757486886674 15_C1-20_Plasma_allogenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A Phe-2,6_2 7.321185768489745 494.7959271097352 5.651069606166422 4.018317286616861 01_A0_Plasma_naive_0days_170427_UKy_GCH_rep1-acetone-NMR_A Phe-2,6_2 7.321651783320673 451.3399471136781 4.132622806615988 4.143838356168401 02_A1_Plasma_naive_0days_170427_UKy_GCH_rep2-acetone-NMR_A Phe-2,6_2 7.321535033559442 451.0840107318159 5.299985612817331 3.836141037333948 03_A2_Plasma_naive_0days_170427_UKy_GCH_rep3-acetone-NMR_A Phe-2,6_2 7.321319478818487 439.9963681259759 5.129732917993329 3.860499234037402 04_B0_Plasma_syngenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Phe-2,6_2 7.321320623023474 435.5954592812371 4.410953563348129 3.859381867794265 05_B1_Plasma_syngenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A Phe-2,6_2 7.321628567029083 541.2902761796574 6.620803485484467 3.762122718203104 06_B2_Plasma_syngenic_42days_170427_UKy_GCH_rep3-acetone-NMR_A Phe-2,6_2 7.32160270196739 522.0446298422219 5.201939194015425 3.798274279819407 07_C1-1_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Phe-2,6_2 7.320958006891158 464.3776232820666 4.540964012666627 3.88014562002351 08_C1-2_Plasma_allogenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A Phe-2,6_2 7.320692207514276 312.0881850809965 3.952439611704418 3.76358580216077 09_C2-0_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Phe-2,6_2 7.321032129792526 458.0600512002567 4.508530304219309 3.745751748323156 10_B1-0_Plasma_syngenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A Phe-2,6_2 7.32083636698517 422.8844866892409 4.132049112585848 3.77318279526839 11_B1-1_Plasma_syngenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A Phe-2,6_2 7.321330488759532 477.7050676514219 5.658700812034358 3.894269477456297 12_B1-2_Plasma_syngenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A Phe-2,6_2 7.3207133726525 366.9216657009478 4.240745339653228 3.842715038712082 13_C1-1_Plasma_allogenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A Phe-2,6_2 7.321631697721918 408.5680677263858 4.836702789551802 3.829788167315337 14_C1-2_Plasma_allogenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A Phe-2,6_2 7.321917453883907 510.9495919168436 6.049392631459906 3.903606936929744 15_C1-20_Plasma_allogenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A Phe-3,5_1 7.402454022592574 481.9991673525242 4.472985713639025 3.799374641846007 01_A0_Plasma_naive_0days_170427_UKy_GCH_rep1-acetone-NMR_A Phe-3,5_1 7.402797278062547 328.8647381146465 3.059032006013841 4.017092248450211 02_A1_Plasma_naive_0days_170427_UKy_GCH_rep2-acetone-NMR_A Phe-3,5_1 7.402674040811053 440.6751164354199 4.397721500409133 3.665804503052348 03_A2_Plasma_naive_0days_170427_UKy_GCH_rep3-acetone-NMR_A Phe-3,5_1 7.402816677398299 403.6496342601154 4.137412464048358 3.517174587087528 04_B0_Plasma_syngenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Phe-3,5_1 7.402615096571099 350.8171085942057 3.383397729487895 3.688788897396373 05_B1_Plasma_syngenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A Phe-3,5_1 7.402832315785326 547.4984997161621 5.42317916569956 3.688864382780677 06_B2_Plasma_syngenic_42days_170427_UKy_GCH_rep3-acetone-NMR_A Phe-3,5_1 7.402988691399675 414.374252490126 4.21362049740073 3.525850860010439 07_C1-1_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Phe-3,5_1 7.402346658162298 329.7912624418016 3.514093682744168 3.560824835721351 08_C1-2_Plasma_allogenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A Phe-3,5_1 7.401877213233425 341.1696962342754 3.30943125059507 3.741372671300203 09_C2-0_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Phe-3,5_1 7.402289202211953 416.5213968621206 3.905775889445631 3.749429689071694 10_B1-0_Plasma_syngenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A Phe-3,5_1 7.402087751694415 394.4240277181181 3.468316191285499 4.076750625027505 11_B1-1_Plasma_syngenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A Phe-3,5_1 7.402740499181713 495.3977947645229 4.755061023082661 3.735292089513891 12_B1-2_Plasma_syngenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A Phe-3,5_1 7.402108440542685 295.9902900633115 3.307269576972952 3.33338003737946 13_C1-1_Plasma_allogenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A Phe-3,5_1 7.402940184297921 375.3628938117918 3.915179161320209 3.58359566972892 14_C1-2_Plasma_allogenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A Phe-3,5_1 7.403116538703324 431.1075710058954 4.93120160674319 3.271564400260574 15_C1-20_Plasma_allogenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A Phe-3,5_2 7.414811922051256 583.4761808939963 5.843100974770538 3.722594228112604 01_A0_Plasma_naive_0days_170427_UKy_GCH_rep1-acetone-NMR_A Phe-3,5_2 7.415171128454828 492.6320805921318 4.115119730854249 4.41358790782671 02_A1_Plasma_naive_0days_170427_UKy_GCH_rep2-acetone-NMR_A Phe-3,5_2 7.415046829960739 527.6655082506062 5.471419801429406 3.697012375558761 03_A2_Plasma_naive_0days_170427_UKy_GCH_rep3-acetone-NMR_A Phe-3,5_2 7.41513220057038 477.7594011156239 5.208433267395862 3.538907539064691 04_B0_Plasma_syngenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Phe-3,5_2 7.414847699952987 436.3979860552916 4.49581501561098 3.793509692957781 05_B1_Plasma_syngenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A Phe-3,5_2 7.415085903359297 688.072288162529 7.004170022108717 3.75700719119897 06_B2_Plasma_syngenic_42days_170427_UKy_GCH_rep3-acetone-NMR_A Phe-3,5_2 7.415384823534326 516.050754576681 5.322141965884884 3.723553255085195 07_C1-1_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Phe-3,5_2 7.41472408052737 494.0950909547784 4.73680043036726 3.79075512906374 08_C1-2_Plasma_allogenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A Phe-3,5_2 7.414220445880557 460.8503263497009 4.344231435760255 3.959794465616813 09_C2-0_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Phe-3,5_2 7.41457123099065 483.8730241398957 4.92825227788188 3.670775763910181 10_B1-0_Plasma_syngenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A Phe-3,5_2 7.414338025162496 465.56607625364 4.574291723485794 3.861733236644695 11_B1-1_Plasma_syngenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A Phe-3,5_2 7.415082484815021 565.6511975220716 5.87295562524897 3.749090855059658 12_B1-2_Plasma_syngenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A Phe-3,5_2 7.414420155152145 401.3562976036685 4.250651050927618 3.63554741793046 13_C1-1_Plasma_allogenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A Phe-3,5_2 7.415279426803808 456.8905491170284 5.135180542934053 3.555465737629732 14_C1-2_Plasma_allogenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A Phe-3,5_2 7.415501667426399 601.9971217596425 6.299499463315789 3.533377210782178 15_C1-20_Plasma_allogenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A Phe-3,5_3 7.427273232047588 169.8381644161878 1.784376608663354 3.712613076314863 01_A0_Plasma_naive_0days_170427_UKy_GCH_rep1-acetone-NMR_A Phe-3,5_3 7.427603805048748 131.014070642716 1.301523836088155 3.933985077487221 02_A1_Plasma_naive_0days_170427_UKy_GCH_rep2-acetone-NMR_A Phe-3,5_3 7.42744688454753 193.9291780541455 1.748255754351385 3.977084186617129 03_A2_Plasma_naive_0days_170427_UKy_GCH_rep3-acetone-NMR_A Phe-3,5_3 7.427598966821234 174.576009472523 1.819140442951859 3.447602091183571 04_B0_Plasma_syngenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Phe-3,5_3 7.427389397355953 141.2030680120663 1.328105002746124 3.759492734116183 05_B1_Plasma_syngenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A Phe-3,5_3 7.427765694963847 221.5648992162617 2.300145223993055 3.822503931241664 06_B2_Plasma_syngenic_42days_170427_UKy_GCH_rep3-acetone-NMR_A Phe-3,5_3 7.427696910168871 184.2417944654449 1.816474862342952 3.851433602717374 07_C1-1_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Phe-3,5_3 7.427152100026658 143.5776167747803 1.490003251290537 3.751769553263329 08_C1-2_Plasma_allogenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A Phe-3,5_3 7.426595776702526 130.895607204105 1.349926883521722 3.874033581693753 09_C2-0_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Phe-3,5_3 7.426924073672595 163.2463281194438 1.601919212985757 4.09271968618575 10_B1-0_Plasma_syngenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A Phe-3,5_3 7.426865176374977 156.8213839651706 1.476218750016825 3.961471377157435 11_B1-1_Plasma_syngenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A Phe-3,5_3 7.427466986230082 206.4748813994389 2.024436771736023 3.918466902062041 12_B1-2_Plasma_syngenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A Phe-3,5_3 7.426853214268757 145.8735875559573 1.493500490199604 3.817140875724577 13_C1-1_Plasma_allogenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A Phe-3,5_3 7.427759576897607 168.3793301205586 1.690627676945256 3.713066193742517 14_C1-2_Plasma_allogenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A Phe-3,5_3 7.427909743171237 178.1486006701957 2.04155899591414 3.616808861216692 15_C1-20_Plasma_allogenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A Succinate-2,3_1 2.395430513061512 310.8867321560559 3.893480766562262 2.880204538983806 01_A0_Plasma_naive_0days_170427_UKy_GCH_rep1-acetone-NMR_A Succinate-2,3_1 2.395821268934428 209.0695086295218 2.376331262396089 3.243659690247827 02_A1_Plasma_naive_0days_170427_UKy_GCH_rep2-acetone-NMR_A Succinate-2,3_1 2.39553929790753 237.044978952481 3.15070712183031 2.803822307946479 03_A2_Plasma_naive_0days_170427_UKy_GCH_rep3-acetone-NMR_A Succinate-2,3_1 2.395858077062276 227.360143956399 3.328632948628133 2.477425205475027 04_B0_Plasma_syngenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Succinate-2,3_1 2.395731888492297 210.0064097456017 2.77947292051654 2.648080728726121 05_B1_Plasma_syngenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A Succinate-2,3_1 2.395732904360124 197.5981592021421 2.647464386727227 2.770488954036453 06_B2_Plasma_syngenic_42days_170427_UKy_GCH_rep3-acetone-NMR_A Succinate-2,3_1 2.395913500094782 193.2823264381409 2.625471980221808 2.568713794798196 07_C1-1_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Succinate-2,3_1 2.395017929420777 186.6092166041441 2.313673741762724 2.808000024085143 08_C1-2_Plasma_allogenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A Succinate-2,3_1 2.39494688133551 156.0744918276165 2.086844917418412 2.613021641394696 09_C2-0_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Succinate-2,3_1 2.395083781088684 336.4804739788047 4.158979152629201 2.813965741586717 10_B1-0_Plasma_syngenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A Succinate-2,3_1 2.395179866203476 739.0953469374939 8.967659386917576 2.941513188061557 11_B1-1_Plasma_syngenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A Succinate-2,3_1 2.395740107354155 259.1285943957514 3.038056462208839 2.994188957773324 12_B1-2_Plasma_syngenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A Succinate-2,3_1 2.395030616723532 226.681256761232 2.921008855258584 2.782334443305806 13_C1-1_Plasma_allogenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A Succinate-2,3_1 2.396325057753867 200.0078483702686 1.863496860954629 3.850922822084015 14_C1-2_Plasma_allogenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A Succinate-2,3_1 2.395945133789146 143.6142672917467 1.904694296479249 2.715782752293792 15_C1-20_Plasma_allogenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A Trp-4_1 7.523326751292017 496.6433143804217 6.493642860516526 3.179844658476942 01_A0_Plasma_naive_0days_170427_UKy_GCH_rep1-acetone-NMR_A Trp-4_1 7.523746204396921 338.9951925124954 3.694004091058923 3.621730016369591 02_A1_Plasma_naive_0days_170427_UKy_GCH_rep2-acetone-NMR_A Trp-4_1 7.5237522409068 386.9565888395633 4.743753984962642 3.187916824544252 03_A2_Plasma_naive_0days_170427_UKy_GCH_rep3-acetone-NMR_A Trp-4_1 7.5237383470016 460.2910892990461 5.813905974018811 3.094079423329947 04_B0_Plasma_syngenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Trp-4_1 7.523394472032624 348.3896133491132 4.409523622841233 3.128065430936278 05_B1_Plasma_syngenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A Trp-4_1 7.523845894480872 486.3231799490406 6.231542185342131 3.129068141091834 06_B2_Plasma_syngenic_42days_170427_UKy_GCH_rep3-acetone-NMR_A Trp-4_1 7.523870675988195 305.0215612872833 3.9235783931215 3.161494252512031 07_C1-1_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Trp-4_1 7.523420372641044 215.6821357676722 2.620102555273002 3.260888316835391 08_C1-2_Plasma_allogenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A Trp-4_1 7.522637679044726 250.2621373567034 3.086941976453855 3.126547870011068 09_C2-0_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Trp-4_1 7.523380891001923 319.2295182364709 4.110794386075519 3.166792528314175 10_B1-0_Plasma_syngenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A Trp-4_1 7.523000474470825 321.248536539397 4.118024891554907 3.162085447202827 11_B1-1_Plasma_syngenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A Trp-4_1 7.523743556766192 490.1100300527268 6.160406836884726 3.240867836611976 12_B1-2_Plasma_syngenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A Trp-4_1 7.52303660090806 159.2671992931759 2.179764375776858 3.037851237720189 13_C1-1_Plasma_allogenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A Trp-4_1 7.523946973883165 245.8827660438531 3.183016112131681 3.112358262361576 14_C1-2_Plasma_allogenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A Trp-4_1 7.524221347877543 324.3123802503339 4.220933516657479 3.11539868314961 15_C1-20_Plasma_allogenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A Trp-4_2 7.536942557649045 519.7274751647691 6.21658583628969 3.195947945154821 01_A0_Plasma_naive_0days_170427_UKy_GCH_rep1-acetone-NMR_A Trp-4_2 7.537349066399857 319.1875909480509 3.384364385512916 3.642837316783282 02_A1_Plasma_naive_0days_170427_UKy_GCH_rep2-acetone-NMR_A Trp-4_2 7.537377607850893 342.6614154704578 4.226841492112289 3.162010531706827 03_A2_Plasma_naive_0days_170427_UKy_GCH_rep3-acetone-NMR_A Trp-4_2 7.537324391253174 390.5668469093109 5.205050196222274 3.023634521951294 04_B0_Plasma_syngenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Trp-4_2 7.537081133728061 313.7748795617143 3.924325376895176 3.182838072771808 05_B1_Plasma_syngenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A Trp-4_2 7.537506435006429 427.0583032200838 5.604725919503098 3.110096439444995 06_B2_Plasma_syngenic_42days_170427_UKy_GCH_rep3-acetone-NMR_A Trp-4_2 7.537546546831798 261.7365402412183 3.482845343196556 3.114926171914476 07_C1-1_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Trp-4_2 7.537173592946419 191.3004359923696 2.363360416315475 3.192523856805006 08_C1-2_Plasma_allogenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A Trp-4_2 7.536273829143598 217.365819655239 2.722332501993299 3.210666425745768 09_C2-0_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Trp-4_2 7.537037132679572 291.5821590600544 3.708238475091736 3.122995795279403 10_B1-0_Plasma_syngenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A Trp-4_2 7.536616628457429 304.1258268873568 3.817162102065339 3.155091256104912 11_B1-1_Plasma_syngenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A Trp-4_2 7.537395378138434 446.1843145166646 5.572366040034376 3.251801120150386 12_B1-2_Plasma_syngenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A Trp-4_2 7.536614083489577 156.0678922950361 1.989220805034272 3.057601002462774 13_C1-1_Plasma_allogenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A Trp-4_2 7.53759089777382 221.6237157368474 2.795413056033315 3.22307629846491 14_C1-2_Plasma_allogenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A Trp-4_2 7.537853960972608 306.0907785646348 3.774824795403875 3.101437007474816 15_C1-20_Plasma_allogenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A Tyr-2,6_1 7.174846490169285 826.4136617644157 8.941642280619288 3.76047971865435 01_A0_Plasma_naive_0days_170427_UKy_GCH_rep1-acetone-NMR_A Tyr-2,6_1 7.175066103264406 720.8382543193 6.424188579477675 4.209497694395117 02_A1_Plasma_naive_0days_170427_UKy_GCH_rep2-acetone-NMR_A Tyr-2,6_1 7.175007150953411 726.4675442704946 7.55374678795235 3.753830466668344 03_A2_Plasma_naive_0days_170427_UKy_GCH_rep3-acetone-NMR_A Tyr-2,6_1 7.174926364753925 987.1510341053278 10.10620764975981 3.601197618065997 04_B0_Plasma_syngenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Tyr-2,6_1 7.174916633018618 622.6282468055612 6.008325027111497 3.803655506951434 05_B1_Plasma_syngenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A Tyr-2,6_1 7.174887237654662 1368.794987362448 14.10395547139319 3.578071746814559 06_B2_Plasma_syngenic_42days_170427_UKy_GCH_rep3-acetone-NMR_A Tyr-2,6_1 7.175101352029916 946.0162855135919 9.47070645703427 3.628233645036551 07_C1-1_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Tyr-2,6_1 7.174296732713944 768.1927747109221 7.760148084737834 3.649654690633015 08_C1-2_Plasma_allogenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A Tyr-2,6_1 7.173957722387089 718.0313565351769 7.456928150548858 3.595821453916632 09_C2-0_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Tyr-2,6_1 7.174431387469962 733.063545471829 7.514789011910136 3.633314294686393 10_B1-0_Plasma_syngenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A Tyr-2,6_1 7.174370067883172 705.9050071128443 6.95793546533191 3.740394698932839 11_B1-1_Plasma_syngenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A Tyr-2,6_1 7.174996575964919 1174.980315694095 12.49783318354214 3.65170379745555 12_B1-2_Plasma_syngenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A Tyr-2,6_1 7.174453050631158 322.6825451156556 3.517320096692845 3.585341054994756 13_C1-1_Plasma_allogenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A Tyr-2,6_1 7.175408717845431 422.2447996074939 4.49906947377085 3.74021857682225 14_C1-2_Plasma_allogenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A Tyr-2,6_1 7.175306719228776 659.9763732463246 7.44242534705654 3.505278347185107 15_C1-20_Plasma_allogenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A Tyr-2,6_2 7.188230979548365 1277.739194889767 12.74017683834757 3.636712311702749 01_A0_Plasma_naive_0days_170427_UKy_GCH_rep1-acetone-NMR_A Tyr-2,6_2 7.188547194680097 981.5983052503874 8.483940672966174 4.179154114157417 02_A1_Plasma_naive_0days_170427_UKy_GCH_rep2-acetone-NMR_A Tyr-2,6_2 7.188418544528838 995.7891374748782 10.18729633624446 3.586344920049706 03_A2_Plasma_naive_0days_170427_UKy_GCH_rep3-acetone-NMR_A Tyr-2,6_2 7.18856757529483 1227.614624207102 13.12561357407827 3.420318935519122 04_B0_Plasma_syngenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Tyr-2,6_2 7.18842542022248 831.2271320376275 8.30624285402172 3.633314226938377 05_B1_Plasma_syngenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A Tyr-2,6_2 7.188488410993191 1503.412635149719 17.05390089150635 3.320442555406276 06_B2_Plasma_syngenic_42days_170427_UKy_GCH_rep3-acetone-NMR_A Tyr-2,6_2 7.188661425753385 1016.502288294462 10.91642880194086 3.433043771793299 07_C1-1_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Tyr-2,6_2 7.187967975850821 892.979177134569 8.755432192724172 3.656708462493589 08_C1-2_Plasma_allogenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A Tyr-2,6_2 7.187596592102857 831.1509477663026 8.636564717672446 3.522760284121201 09_C2-0_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Tyr-2,6_2 7.18803125571317 974.8557526479817 9.74380039593886 3.615568471756978 10_B1-0_Plasma_syngenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A Tyr-2,6_2 7.187889369994096 892.3285379700211 8.998067890232987 3.602188980978479 11_B1-1_Plasma_syngenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A Tyr-2,6_2 7.188524458063033 1497.508623768126 15.81479974065574 3.491059106943818 12_B1-2_Plasma_syngenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A Tyr-2,6_2 7.187897505123197 438.961248029461 4.766367165044898 3.443596336278521 13_C1-1_Plasma_allogenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A Tyr-2,6_2 7.188878011664185 597.7168986307929 6.378722652324504 3.451883714196756 14_C1-2_Plasma_allogenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A Tyr-2,6_2 7.188833512974814 952.411111669301 9.874696185812896 3.458018440213787 15_C1-20_Plasma_allogenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A Tyr-3,5_1 6.881075383817478 535.5554100926917 5.915524978737922 3.324679771567101 01_A0_Plasma_naive_0days_170427_UKy_GCH_rep1-acetone-NMR_A Tyr-3,5_1 6.881570382614683 464.0788721236175 4.293793087717075 3.958997105637672 02_A1_Plasma_naive_0days_170427_UKy_GCH_rep2-acetone-NMR_A Tyr-3,5_1 6.881341496293948 444.7701392101177 5.091582667386542 3.149079100856879 03_A2_Plasma_naive_0days_170427_UKy_GCH_rep3-acetone-NMR_A Tyr-3,5_1 6.881409032222925 657.5572097213912 7.093861237639931 3.212088117177978 04_B0_Plasma_syngenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Tyr-3,5_1 6.881313521590952 340.2931569903457 3.744423537380618 3.213822756879835 05_B1_Plasma_syngenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A Tyr-3,5_1 6.881468678553865 944.4051356733914 10.45723266956667 3.221695587146791 06_B2_Plasma_syngenic_42days_170427_UKy_GCH_rep3-acetone-NMR_A Tyr-3,5_1 6.881731986768894 657.1383509704405 6.923836097719348 3.36014246888326 07_C1-1_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Tyr-3,5_1 6.880969930340334 540.1072087040536 5.795654979305775 3.356733426405793 08_C1-2_Plasma_allogenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A Tyr-3,5_1 6.880492875762818 531.9610038863676 5.5605718216233 3.388296480183104 09_C2-0_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Tyr-3,5_1 6.880927687443375 471.0948631951246 5.234406691204511 3.277068474363105 10_B1-0_Plasma_syngenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A Tyr-3,5_1 6.880777704107018 416.9894328482255 4.550920383025572 3.285128829669495 11_B1-1_Plasma_syngenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A Tyr-3,5_1 6.881377139210715 848.90823226131 9.100003272638583 3.344612360891279 12_B1-2_Plasma_syngenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A Tyr-3,5_1 6.880699081925443 239.2085757162099 2.391221530651423 3.433494208990712 13_C1-1_Plasma_allogenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A Tyr-3,5_1 6.881615787513495 314.2464139972122 3.075528305818827 3.494525801527876 14_C1-2_Plasma_allogenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A Tyr-3,5_1 6.881666429681018 526.5883944256083 5.391510266922281 3.407938965993349 15_C1-20_Plasma_allogenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A Tyr-3,5_2 6.894679963113978 555.1726135997167 6.413765549656222 3.230899625839884 01_A0_Plasma_naive_0days_170427_UKy_GCH_rep1-acetone-NMR_A Tyr-3,5_2 6.895036412034496 498.0456292312303 4.745969540564176 3.898746196560776 02_A1_Plasma_naive_0days_170427_UKy_GCH_rep2-acetone-NMR_A Tyr-3,5_2 6.894988961108917 504.5219584083339 5.567311093061202 3.300537590542179 03_A2_Plasma_naive_0days_170427_UKy_GCH_rep3-acetone-NMR_A Tyr-3,5_2 6.895088197428958 613.9062270163944 7.511481034596823 3.07654347479501 04_B0_Plasma_syngenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Tyr-3,5_2 6.894897346697122 328.36134083257 3.949443919557003 3.184273452818172 05_B1_Plasma_syngenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A Tyr-3,5_2 6.894903993239117 902.1512742174325 11.10750844040059 3.126978132638226 06_B2_Plasma_syngenic_42days_170427_UKy_GCH_rep3-acetone-NMR_A Tyr-3,5_2 6.895316068089635 574.4390140401252 7.28091989728738 3.093585527254649 07_C1-1_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Tyr-3,5_2 6.894636218788468 554.7500905709524 6.240445901284518 3.288047468541685 08_C1-2_Plasma_allogenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A Tyr-3,5_2 6.894183380731316 479.5264680904577 5.858581339523406 3.135067293014953 09_C2-0_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Tyr-3,5_2 6.894623219834664 470.1434648600475 5.563505216142897 3.206318822401657 10_B1-0_Plasma_syngenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A Tyr-3,5_2 6.894429436110194 424.5010170762772 4.921206519480371 3.23046123151405 11_B1-1_Plasma_syngenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A Tyr-3,5_2 6.894965027377721 833.3698303114658 9.739798458185755 3.324165201649988 12_B1-2_Plasma_syngenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A Tyr-3,5_2 6.894362766746085 209.2301386617256 2.590713320997172 3.107695611560648 13_C1-1_Plasma_allogenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A Tyr-3,5_2 6.895124089103271 275.0748075537044 3.189434960142066 3.330868840871472 14_C1-2_Plasma_allogenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A Tyr-3,5_2 6.895370268391739 521.7059602594408 5.895238811339775 3.197084481274879 15_C1-20_Plasma_allogenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A Val-B_1 1.028306578187467 2558.236788461343 37.17677854551712 2.77248570208529 01_A0_Plasma_naive_0days_170427_UKy_GCH_rep1-acetone-NMR_A Val-B_1 1.028591849305989 2137.195607288186 24.86444590486889 3.295844496698939 02_A1_Plasma_naive_0days_170427_UKy_GCH_rep2-acetone-NMR_A Val-B_1 1.028417481780759 2751.254000854383 38.12332392459872 2.773049341043299 03_A2_Plasma_naive_0days_170427_UKy_GCH_rep3-acetone-NMR_A Val-B_1 1.028515121860516 2351.18312349343 33.89143526120309 2.66833180300478 04_B0_Plasma_syngenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Val-B_1 1.028523346640155 2219.54867013171 30.2029078751876 2.753321564390351 05_B1_Plasma_syngenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A Val-B_1 1.028585930525692 3576.328490227817 51.30486324510157 2.746092461229054 06_B2_Plasma_syngenic_42days_170427_UKy_GCH_rep3-acetone-NMR_A Val-B_1 1.028734868359563 2069.947077181356 29.20372471492477 2.738844053261456 07_C1-1_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Val-B_1 1.028040527194434 1571.298786020166 21.105427230268 2.909588161518777 08_C1-2_Plasma_allogenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A Val-B_1 1.027698843090731 1614.138184528507 23.02089490073506 2.728680947540555 09_C2-0_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Val-B_1 1.02805582344821 1895.54156123169 27.79611036771842 2.685634569191131 10_B1-0_Plasma_syngenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A Val-B_1 1.02789541193282 1955.048590073362 26.26050371147616 2.853935531053175 11_B1-1_Plasma_syngenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A Val-B_1 1.028501319382842 2720.543180295272 38.04683703921964 2.812729159710427 12_B1-2_Plasma_syngenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A Val-B_1 1.027797377118494 1367.499578128089 20.95899108459176 2.599169729894804 13_C1-1_Plasma_allogenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A Val-B_1 1.028656442164689 2546.810325201915 36.75922053947213 2.74670196399738 14_C1-2_Plasma_allogenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A Val-B_1 1.028800387804096 2475.376830847679 36.18485553816672 2.665578000602377 15_C1-20_Plasma_allogenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A Val-B_2 1.040017442217594 2697.910579007922 38.03043572979231 2.755503992530447 01_A0_Plasma_naive_0days_170427_UKy_GCH_rep1-acetone-NMR_A Val-B_2 1.040280046384594 2034.545990096432 24.92843044462818 3.196246888351133 02_A1_Plasma_naive_0days_170427_UKy_GCH_rep2-acetone-NMR_A Val-B_2 1.040120470790538 2732.914561341213 38.54658531881393 2.780152862649269 03_A2_Plasma_naive_0days_170427_UKy_GCH_rep3-acetone-NMR_A Val-B_2 1.040244060235881 2192.884171902462 33.72571397287533 2.564219685221957 04_B0_Plasma_syngenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Val-B_2 1.040214100277832 1979.856639133357 29.42326028838647 2.612092840082367 05_B1_Plasma_syngenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A Val-B_2 1.040321785102507 3320.331078102362 51.43492020592493 2.588596914826346 06_B2_Plasma_syngenic_42days_170427_UKy_GCH_rep3-acetone-NMR_A Val-B_2 1.040434982301423 1963.893419876614 28.95236819965982 2.668256850805883 07_C1-1_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Val-B_2 1.039736928466241 1506.406285518256 20.75309227970837 2.839451948255974 08_C1-2_Plasma_allogenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A Val-B_2 1.039427916565379 1524.696218818194 22.82530766832294 2.63845661378908 09_C2-0_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A Val-B_2 1.039777374082945 1922.737824662057 27.80678535443338 2.702316290701618 10_B1-0_Plasma_syngenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A Val-B_2 1.039585497140726 1838.309963779549 26.18287036607602 2.765374218453008 11_B1-1_Plasma_syngenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A Val-B_2 1.040185171466164 2695.927995128443 38.43695971948736 2.777241859661613 12_B1-2_Plasma_syngenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A Val-B_2 1.039498971332248 1429.527496190283 21.14852873671479 2.648488612410351 13_C1-1_Plasma_allogenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A Val-B_2 1.040376652408263 2533.555817806457 37.14822319573538 2.690125068287758 14_C1-2_Plasma_allogenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A Val-B_2 1.040502544759682 2435.118259669173 36.09423366794312 2.640676421640766 15_C1-20_Plasma_allogenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A aGlc 13C-A_1 5.066568249992168 138.1130839650203 1.596627472109674 3.101400260762754 01_A0_Plasma_naive_0days_170427_UKy_GCH_rep1-acetone-NMR_A aGlc 13C-A_1 5.067184322196219 428.4515747396098 3.921997205265421 3.837982888940437 02_A1_Plasma_naive_0days_170427_UKy_GCH_rep2-acetone-NMR_A aGlc 13C-A_1 5.067086877786911 628.0099547851624 6.028444904879724 3.719119567235778 03_A2_Plasma_naive_0days_170427_UKy_GCH_rep3-acetone-NMR_A aGlc 13C-A_1 5.066915011555962 204.4555306934512 2.015228674840833 3.652686568190302 04_B0_Plasma_syngenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A aGlc 13C-A_1 5.067013706637518 257.4105223592256 2.831977920639634 3.319232947747659 05_B1_Plasma_syngenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A aGlc 13C-A_1 5.067137485163076 649.6194558590497 6.181733179861567 3.839206805368279 06_B2_Plasma_syngenic_42days_170427_UKy_GCH_rep3-acetone-NMR_A aGlc 13C-A_1 5.067526032991365 271.1936001727814 2.718535499492303 3.601751751999005 07_C1-1_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A aGlc 13C-A_1 5.06692331266381 222.9705740662762 1.854771548372915 4.310064014516234 08_C1-2_Plasma_allogenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A aGlc 13C-A_1 5.066027702916303 207.0327556462466 2.074355810608164 3.448915009572282 09_C2-0_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A aGlc 13C-A_1 5.072283023370027 612.1046192331532 4.204291073558796 4.947435393014784 10_B1-0_Plasma_syngenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A aGlc 13C-A_1 5.066979459022712 125.1251606515668 1.193449210674879 4.502800865315188 11_B1-1_Plasma_syngenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A aGlc 13C-A_1 5.066939566030872 528.3669382028673 5.119080856908399 3.791774424492843 12_B1-2_Plasma_syngenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A aGlc 13C-A_1 5.066052060640679 254.2841050191322 2.768290965720526 3.394647581144048 13_C1-1_Plasma_allogenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A aGlc 13C-A_1 5.066860561496214 453.3817330639979 4.57271647422932 3.644786628245159 14_C1-2_Plasma_allogenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A aGlc 13C-A_1 5.067381421477616 602.1790905268258 5.678791682693337 3.801861815075404 15_C1-20_Plasma_allogenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A aGlc 13C-A_2 5.075741758003289 1316.332854824298 7.188855347891369 6.420892342796149 01_A0_Plasma_naive_0days_170427_UKy_GCH_rep1-acetone-NMR_A aGlc 13C-A_2 5.075849110035018 2910.536355251941 16.37803445948694 6.453178608196343 02_A1_Plasma_naive_0days_170427_UKy_GCH_rep2-acetone-NMR_A aGlc 13C-A_2 5.075806660150567 3214.646022549619 20.7212824735956 5.749251730418425 03_A2_Plasma_naive_0days_170427_UKy_GCH_rep3-acetone-NMR_A aGlc 13C-A_2 5.07588982473046 1238.630401138895 8.225192821781583 5.703636718524094 04_B0_Plasma_syngenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A aGlc 13C-A_2 5.076155543426751 2617.359658706341 14.86888045604809 6.796758031018526 05_B1_Plasma_syngenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A aGlc 13C-A_2 5.075671624972479 2239.623985674325 16.59218365490886 5.153103761662159 06_B2_Plasma_syngenic_42days_170427_UKy_GCH_rep3-acetone-NMR_A aGlc 13C-A_2 5.076391858202073 2294.485591211704 14.69971241360716 6.028074321991682 07_C1-1_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A aGlc 13C-A_2 5.076345244311003 2350.307884182147 14.11020760301262 5.920254471514314 08_C1-2_Plasma_allogenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A aGlc 13C-A_2 5.075431480485814 2524.102277993087 14.23143071452858 6.729506026992563 09_C2-0_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A aGlc 13C-A_2 5.07700702092915 1081.573425646732 8.327751713515806 4.54264723873932 10_B1-0_Plasma_syngenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A aGlc 13C-A_2 5.076109485511117 1229.559092874173 8.286079663670973 5.496535673760459 11_B1-1_Plasma_syngenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A aGlc 13C-A_2 5.075515098938178 2290.293597757293 15.96988244091618 5.434550449384079 12_B1-2_Plasma_syngenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A aGlc 13C-A_2 5.075137701113528 1997.39395047628 12.12166532778164 6.126690502035215 13_C1-1_Plasma_allogenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A aGlc 13C-A_2 5.075445921581229 2092.814608879345 14.14853559826333 5.470543377817446 14_C1-2_Plasma_allogenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A aGlc 13C-A_2 5.075908833544404 1998.994713460715 15.23527023025152 5.014904492117382 15_C1-20_Plasma_allogenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A aGlc 13C-A_3 5.083760638764325 1354.063388677572 7.319600296569331 6.59972547892786 01_A0_Plasma_naive_0days_170427_UKy_GCH_rep1-acetone-NMR_A aGlc 13C-A_3 5.083894773766576 3987.701970406004 18.97469824188891 7.53484649115971 02_A1_Plasma_naive_0days_170427_UKy_GCH_rep2-acetone-NMR_A aGlc 13C-A_3 5.083955157820237 4289.628216501392 22.9765442495032 6.783881291440731 03_A2_Plasma_naive_0days_170427_UKy_GCH_rep3-acetone-NMR_A aGlc 13C-A_3 5.083599457723754 1835.524420257577 9.652906176739966 6.549121058936174 04_B0_Plasma_syngenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A aGlc 13C-A_3 5.08380603053345 2689.722976972623 14.73254321004357 6.7810639028594 05_B1_Plasma_syngenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A aGlc 13C-A_3 5.083820711522865 3671.050167135701 19.55999467316008 6.728963632185975 06_B2_Plasma_syngenic_42days_170427_UKy_GCH_rep3-acetone-NMR_A aGlc 13C-A_3 5.083833039768714 3598.934518060776 17.9381627948805 7.10153207993099 07_C1-1_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A aGlc 13C-A_3 5.08315348420656 3281.574112586598 16.14622900113965 6.871367196633903 08_C1-2_Plasma_allogenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A aGlc 13C-A_3 5.08276096427675 2647.722085111897 14.05322483014597 6.754963356193012 09_C2-0_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A aGlc 13C-A_3 5.082848255310104 2386.361182700267 12.58883938439333 6.614262775612095 10_B1-0_Plasma_syngenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A aGlc 13C-A_3 5.082669951809872 2109.095969484076 10.47441986357649 7.022418402632429 11_B1-1_Plasma_syngenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A aGlc 13C-A_3 5.083635413605082 3688.092515052763 18.98576139016962 6.95968126172264 12_B1-2_Plasma_syngenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A aGlc 13C-A_3 5.082859215173155 2546.199668193126 13.29153831116996 6.912329558028595 13_C1-1_Plasma_allogenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A aGlc 13C-A_3 5.08368811174909 3064.89476991928 15.9863435856612 6.865415457582841 14_C1-2_Plasma_allogenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A aGlc 13C-A_3 5.084130816723345 3633.005517900489 18.85960054382622 7.041185029135805 15_C1-20_Plasma_allogenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A aGlc 13C-A_4 5.092396853524138 99.15958319886944 1.465823348041689 2.59993401313999 01_A0_Plasma_naive_0days_170427_UKy_GCH_rep1-acetone-NMR_A aGlc 13C-A_4 5.092712020181859 266.1615399446663 3.009721883909424 3.188371816130679 02_A1_Plasma_naive_0days_170427_UKy_GCH_rep2-acetone-NMR_A aGlc 13C-A_4 5.092740005238689 359.3788526763933 4.728492955825919 2.883729843198727 03_A2_Plasma_naive_0days_170427_UKy_GCH_rep3-acetone-NMR_A aGlc 13C-A_4 5.092478549862119 101.9811981739686 1.365349698787886 2.737990533581415 04_B0_Plasma_syngenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A aGlc 13C-A_4 5.092600298168134 161.5932044773016 1.945719046425324 2.8736576280869 05_B1_Plasma_syngenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A aGlc 13C-A_4 5.092683943956104 318.393143426205 4.345386572084776 2.780097896239559 06_B2_Plasma_syngenic_42days_170427_UKy_GCH_rep3-acetone-NMR_A aGlc 13C-A_4 5.093026336603955 76.42996671196315 1.175080778959143 2.280724721179294 07_C1-1_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A aGlc 13C-A_4 5.091520017316268 91.20684705926993 1.256188086653815 2.603151032851795 09_C2-0_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A aGlc 13C-A_4 5.092388383143712 269.3810846456651 3.555394423497716 2.838131841280977 12_B1-2_Plasma_syngenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A aGlc 13C-A_4 5.091777614748398 154.307589847177 2.097493387583287 2.649806450550891 13_C1-1_Plasma_allogenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A aGlc 13C-A_4 5.09249267077747 230.7052443140007 3.062955949383073 2.776951422583509 14_C1-2_Plasma_allogenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A aGlc 13C-A_4 5.092972324378033 307.0185037577575 4.115627115747758 2.750300182773852 15_C1-20_Plasma_allogenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A aGlc 13C-B_1 5.348674749614058 85.42561391329963 1.070869208676785 2.942435074049045 01_A0_Plasma_naive_0days_170427_UKy_GCH_rep1-acetone-NMR_A aGlc 13C-B_1 5.349502184813979 202.5508921716985 2.682823105978138 2.950591019637434 02_A1_Plasma_naive_0days_170427_UKy_GCH_rep2-acetone-NMR_A aGlc 13C-B_1 5.349458791080876 358.6460533325275 4.379887461287181 3.05678498930666 03_A2_Plasma_naive_0days_170427_UKy_GCH_rep3-acetone-NMR_A aGlc 13C-B_1 5.349190930682219 83.86074669836889 1.25193357441609 2.599672949334406 04_B0_Plasma_syngenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A aGlc 13C-B_1 5.349264027078628 94.56817601620234 1.483675181860646 2.418415852768678 05_B1_Plasma_syngenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A aGlc 13C-B_1 5.349455450370852 327.4936612308097 4.153085881449726 2.982049030813023 06_B2_Plasma_syngenic_42days_170427_UKy_GCH_rep3-acetone-NMR_A aGlc 13C-B_1 5.36051837324942 4689.668634661163 21.37091378543763 7.639628629161251 07_C1-1_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A aGlc 13C-B_1 5.359605460610326 3936.932335402269 18.0787573141618 7.21188451615723 08_C1-2_Plasma_allogenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A aGlc 13C-B_1 5.348111350712794 69.28552711762926 1.132658074442247 2.390620250224336 09_C2-0_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A aGlc 13C-B_1 5.359989219827495 2980.731805456677 13.97097315961331 7.33059166300732 10_B1-0_Plasma_syngenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A aGlc 13C-B_1 5.359611433756455 1789.264670312944 9.626588639487995 6.485345745358252 11_B1-1_Plasma_syngenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A aGlc 13C-B_1 5.349214523439979 281.0691865969425 3.41787076586473 3.031860159224937 12_B1-2_Plasma_syngenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A aGlc 13C-B_1 5.348440589033488 134.9691178032286 2.064867744141144 2.554518563505766 13_C1-1_Plasma_allogenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A aGlc 13C-B_1 5.349259584484549 244.2064716360163 3.116490655301762 2.973145342629969 14_C1-2_Plasma_allogenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A aGlc 13C-B_1 5.349485656629202 301.4647045335866 3.728700856182706 2.980783932610351 15_C1-20_Plasma_allogenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A aGlc 13C-B_2 5.359257488875272 1600.259461850731 7.75026671288173 7.204514451261654 01_A0_Plasma_naive_0days_170427_UKy_GCH_rep1-acetone-NMR_A aGlc 13C-B_2 5.359581696795459 4541.348671015276 20.5902631161158 7.865308049629778 02_A1_Plasma_naive_0days_170427_UKy_GCH_rep2-acetone-NMR_A aGlc 13C-B_2 5.359346645208674 4917.288787748554 24.43774229718279 7.103747392945392 03_A2_Plasma_naive_0days_170427_UKy_GCH_rep3-acetone-NMR_A aGlc 13C-B_2 5.3594029905013 1339.362106902817 8.426893954594963 5.862521442920979 04_B0_Plasma_syngenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A aGlc 13C-B_2 5.360091341627803 4915.91116378989 19.66940927272066 8.633007207782105 05_B1_Plasma_syngenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A aGlc 13C-B_2 5.359177908330538 3828.196335289629 19.96373409065063 6.757296944907608 06_B2_Plasma_syngenic_42days_170427_UKy_GCH_rep3-acetone-NMR_A aGlc 13C-B_2 5.368652922584599 1536.826615091973 12.08315346737498 5.487454752428533 07_C1-1_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A aGlc 13C-B_2 5.367499354412372 1530.676392024804 11.27525286737174 5.7753717489168 08_C1-2_Plasma_allogenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A aGlc 13C-B_2 5.359069416976754 4129.609650771356 18.25083424482589 7.862970945627858 09_C2-0_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A aGlc 13C-B_2 5.367829223627044 992.985264885487 8.372292260226082 5.400775488294131 10_B1-0_Plasma_syngenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A aGlc 13C-B_2 5.367902018997466 1140.775715669297 7.768649910419525 5.864452240904456 11_B1-1_Plasma_syngenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A aGlc 13C-B_2 5.359170182126395 4214.596681295455 20.26945381906906 7.336837109782385 12_B1-2_Plasma_syngenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A aGlc 13C-B_2 5.358949494582496 3356.615388089222 15.66363957420458 7.62911741791227 13_C1-1_Plasma_allogenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A aGlc 13C-B_2 5.359126609640973 3609.028324642484 17.61725989880851 7.147972790059808 14_C1-2_Plasma_allogenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A aGlc 13C-B_2 5.359437975073861 3858.623339909082 18.89687456620916 7.111671118716812 15_C1-20_Plasma_allogenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A aGlc 13C-B_3 5.368881109910904 972.4609443461472 6.756533921082938 5.160298219310263 01_A0_Plasma_naive_0days_170427_UKy_GCH_rep1-acetone-NMR_A aGlc 13C-B_3 5.36825095346546 2457.719512137005 13.86575492351238 6.686753038154166 02_A1_Plasma_naive_0days_170427_UKy_GCH_rep2-acetone-NMR_A aGlc 13C-B_3 5.36810082030805 3081.520626754309 17.17404932053561 6.620778908628261 03_A2_Plasma_naive_0days_170427_UKy_GCH_rep3-acetone-NMR_A aGlc 13C-B_3 5.368131848641454 1136.338196060392 7.192239611981252 6.174621648440508 04_B0_Plasma_syngenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A aGlc 13C-B_3 5.368684738226476 1618.866205001986 10.40505630421383 6.08041772311761 05_B1_Plasma_syngenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A aGlc 13C-B_3 5.368065309270054 2367.579241988569 13.73586953483391 6.354771412361444 06_B2_Plasma_syngenic_42days_170427_UKy_GCH_rep3-acetone-NMR_A aGlc 13C-B_3 5.367118710759685 1344.937256843835 9.786576828231437 5.760047740469599 09_C2-0_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A aGlc 13C-B_3 5.368189469582529 2469.627390512168 14.12866431538801 6.444391159186363 12_B1-2_Plasma_syngenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A aGlc 13C-B_3 5.368177843842336 1532.403180742997 10.31878120238088 5.885765041717841 13_C1-1_Plasma_allogenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A aGlc 13C-B_3 5.368597137520145 2040.462964839361 12.66563756180965 6.259026425944842 14_C1-2_Plasma_allogenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A aGlc 13C-B_3 5.368767363336288 2183.905679330724 13.12501725144088 6.181529860959114 15_C1-20_Plasma_allogenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A aGlc 13C-B_4 5.374330495273051 223.290751291517 1.758205894943121 4.39831154115349 02_A1_Plasma_naive_0days_170427_UKy_GCH_rep2-acetone-NMR_A aGlc 13C-B_4 5.374687312754411 179.1143895833119 1.943530134665011 3.105492924097573 03_A2_Plasma_naive_0days_170427_UKy_GCH_rep3-acetone-NMR_A aGlc 13C-B_4 5.374503577711987 179.3279109028428 2.12941383646822 2.930919696758878 06_B2_Plasma_syngenic_42days_170427_UKy_GCH_rep3-acetone-NMR_A aGlc 13C-B_4 5.374505607303479 133.6982754165336 1.764745513954051 2.702223445788681 12_B1-2_Plasma_syngenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A aGlc 13C-B_4 5.374901190729637 118.8244669026362 1.135620097000441 3.297186672888521 14_C1-2_Plasma_allogenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A aGlc 13C-B_4 5.374628767631696 193.2419834685741 2.042664974988333 3.229842784718644 15_C1-20_Plasma_allogenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A aGlc_1 5.220973329153 2318.586519786765 30.22740235096329 2.867778061038999 01_A0_Plasma_naive_0days_170427_UKy_GCH_rep1-acetone-NMR_A aGlc_1 5.22156467326602 1321.676195885854 11.74742010065471 3.986634010715632 02_A1_Plasma_naive_0days_170427_UKy_GCH_rep2-acetone-NMR_A aGlc_1 5.221485882807324 1481.455626568064 14.53369080933686 3.538564156185224 03_A2_Plasma_naive_0days_170427_UKy_GCH_rep3-acetone-NMR_A aGlc_1 5.221247366827289 6422.544894433499 78.41885714120619 2.963309669202905 04_B0_Plasma_syngenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A aGlc_1 5.221608223740455 2835.191614495294 26.07140757521047 3.723944093103175 05_B1_Plasma_syngenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A aGlc_1 5.221425971963251 512.7619384738551 4.915235862555439 3.539638037283194 06_B2_Plasma_syngenic_42days_170427_UKy_GCH_rep3-acetone-NMR_A aGlc_1 5.221873855513216 3776.608491064691 36.97230242024371 3.564153746608989 07_C1-1_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A aGlc_1 5.220998925264002 4526.479661248131 49.53332825580314 3.281663686971773 08_C1-2_Plasma_allogenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A aGlc_1 5.220460898342377 3199.152836377607 32.36002090175445 3.484458783505791 09_C2-0_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A aGlc_1 5.221056245478753 4236.476376703528 43.75373726592557 3.453653081846909 10_B1-0_Plasma_syngenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A aGlc_1 5.220639189546161 5050.889898136988 50.70185725490924 3.422686759814081 11_B1-1_Plasma_syngenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A aGlc_1 5.221230367824631 741.806536227999 7.561311288478296 3.471493686198256 12_B1-2_Plasma_syngenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A aGlc_1 5.214820301385786 224.9973567898211 2.80232812889921 2.853949870329742 13_C1-1_Plasma_allogenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A aGlc_1 5.221287214674708 549.9592658125583 5.457892033899738 3.517915278177949 14_C1-2_Plasma_allogenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A aGlc_1 5.221527133778798 457.5952007929356 4.823003127911085 3.310509807300661 15_C1-20_Plasma_allogenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A aGlc_2 5.227279637045506 2424.509218660355 29.86004395219245 2.994640941718199 01_A0_Plasma_naive_0days_170427_UKy_GCH_rep1-acetone-NMR_A aGlc_2 5.227617964445169 1857.541980279996 12.98676241996144 4.808650561822041 02_A1_Plasma_naive_0days_170427_UKy_GCH_rep2-acetone-NMR_A aGlc_2 5.227554541134549 1445.362202883549 13.93495214258311 3.619113249872094 03_A2_Plasma_naive_0days_170427_UKy_GCH_rep3-acetone-NMR_A aGlc_2 5.227507545987535 4569.124468019492 71.2229342999689 2.500271875528375 04_B0_Plasma_syngenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A aGlc_2 5.227549309904245 2054.21871213918 22.30372193644101 3.309742242270763 05_B1_Plasma_syngenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A aGlc_2 5.227614173487416 459.2352408764676 4.638805836708723 3.454299375728676 06_B2_Plasma_syngenic_42days_170427_UKy_GCH_rep3-acetone-NMR_A aGlc_2 5.227845297670288 3105.547736508537 33.48304312618405 3.34445226266986 07_C1-1_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A aGlc_2 5.227091385598196 4734.731723692898 48.60884942582019 3.465166543301227 08_C1-2_Plasma_allogenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A aGlc_2 5.226424841761973 2881.649805402289 30.41068743273192 3.374282985905714 09_C2-0_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A aGlc_2 5.227138184637474 3354.373011624066 39.57864599934174 3.147913873562437 10_B1-0_Plasma_syngenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A aGlc_2 5.226888957308851 4231.236663046527 46.2525792094855 3.26194570851806 11_B1-1_Plasma_syngenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A aGlc_2 5.227253376313901 871.1916953149911 7.829353115934403 3.839795262029433 12_B1-2_Plasma_syngenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A aGlc_2 5.220529081778831 2300.887385935473 24.80713156953335 3.277185801986036 13_C1-1_Plasma_allogenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A aGlc_2 5.227347266488342 562.8663289597015 5.43971075838098 3.61044241983676 14_C1-2_Plasma_allogenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A aGlc_2 5.227732111639302 469.7694050747689 4.59136527463067 3.453012866074068 15_C1-20_Plasma_allogenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A aGlc_3 5.226663286786295 1717.630515299796 22.28678578878971 2.905844107495845 13_C1-1_Plasma_allogenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A aGlc_4 5.232064679408108 163.0119516128099 2.574599739391481 2.400509732409749 13_C1-1_Plasma_allogenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A bGlc 13C-A_1 4.494700710601116 2224.113167411265 20.53942928806392 4.108594776154811 01_A0_Plasma_naive_0days_170427_UKy_GCH_rep1-acetone-NMR_A bGlc 13C-A_1 4.495144739694391 5649.78981071722 49.12399690107284 4.468786562692936 02_A1_Plasma_naive_0days_170427_UKy_GCH_rep2-acetone-NMR_A bGlc 13C-A_1 4.495047470193554 6855.688436280063 63.05947024393357 4.125015215941481 03_A2_Plasma_naive_0days_170427_UKy_GCH_rep3-acetone-NMR_A bGlc 13C-A_1 4.494899331596485 2640.949159206973 25.94140239846674 3.908699538693718 04_B0_Plasma_syngenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A bGlc 13C-A_1 4.494970915481828 4673.246787622941 45.63425467350463 3.942582612445789 05_B1_Plasma_syngenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A bGlc 13C-A_1 4.494961790343284 5483.906898833935 52.08331243755381 4.143568574095132 06_B2_Plasma_syngenic_42days_170427_UKy_GCH_rep3-acetone-NMR_A bGlc 13C-A_1 4.495437804769681 4965.933282575062 50.60023497619345 3.781763683802767 07_C1-1_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A bGlc 13C-A_1 4.4947405855166 4561.092439181152 44.30085768783385 3.906443434477715 08_C1-2_Plasma_allogenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A bGlc 13C-A_1 4.493969181929263 4366.680347420735 43.68027605933975 3.842061595533762 09_C2-0_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A bGlc 13C-A_1 4.49471384181902 3156.395352310249 32.08099733891524 3.733088917640912 10_B1-0_Plasma_syngenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A bGlc 13C-A_1 4.49447433427278 2745.315627000257 27.44726937646248 3.795053808598689 11_B1-1_Plasma_syngenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A bGlc 13C-A_1 4.494768081232596 5342.585776764467 49.90993421465456 4.173334194285571 12_B1-2_Plasma_syngenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A bGlc 13C-A_1 4.494149814092703 3641.108247886086 37.94055738833541 3.795034725078397 13_C1-1_Plasma_allogenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A bGlc 13C-A_1 4.494801014235273 4547.999373613847 43.53569033349835 4.109586682142885 14_C1-2_Plasma_allogenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A bGlc 13C-A_1 4.495266477888937 4931.895563969873 47.97899095131871 4.031026384775699 15_C1-20_Plasma_allogenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A bGlc 13C-A_2 4.50721209543305 2555.375746600427 21.91512193921654 4.350379876190984 01_A0_Plasma_naive_0days_170427_UKy_GCH_rep1-acetone-NMR_A bGlc 13C-A_2 4.507612539953308 6681.021659557213 51.23783427962131 4.841794268877312 02_A1_Plasma_naive_0days_170427_UKy_GCH_rep2-acetone-NMR_A bGlc 13C-A_2 4.507554249938657 7310.127905109642 64.21171781100803 4.327442732372094 03_A2_Plasma_naive_0days_170427_UKy_GCH_rep3-acetone-NMR_A bGlc 13C-A_2 4.507358460808067 2873.910492376627 26.46161104443136 4.236928196489701 04_B0_Plasma_syngenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A bGlc 13C-A_2 4.507521064107069 5265.464068910266 46.38058271529446 4.266036771397065 05_B1_Plasma_syngenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A bGlc 13C-A_2 4.507403274517926 6132.912457468184 53.46358010151515 4.352447374152185 06_B2_Plasma_syngenic_42days_170427_UKy_GCH_rep3-acetone-NMR_A bGlc 13C-A_2 4.508068847111335 4952.965394943902 49.96392123458989 3.877180272362898 07_C1-1_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A bGlc 13C-A_2 4.507407545212508 4711.222999201414 44.66780297075766 4.013668265613326 08_C1-2_Plasma_allogenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A bGlc 13C-A_2 4.506587743338203 4560.11128758924 43.50705534979741 4.021619441005487 09_C2-0_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A bGlc 13C-A_2 4.507411815046896 3355.726322333423 32.85393942848 3.856561726140293 10_B1-0_Plasma_syngenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A bGlc 13C-A_2 4.507086797759318 2945.810073454492 28.01523177116174 4.03433631157848 11_B1-1_Plasma_syngenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A bGlc 13C-A_2 4.507248316547618 6101.799376183578 51.87362590111491 4.420515701927688 12_B1-2_Plasma_syngenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A bGlc 13C-A_2 4.506686564370939 4395.487187271436 39.29880897679932 4.145309103886485 13_C1-1_Plasma_allogenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A bGlc 13C-A_2 4.507259342465959 5134.125363435536 44.48226482038846 4.348392319819508 14_C1-2_Plasma_allogenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A bGlc 13C-A_2 4.507759786067465 5743.283403928444 49.76913663003081 4.322225111378359 15_C1-20_Plasma_allogenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A bGlc 13C-B_1 4.763625743690457 2267.481067649171 20.63706215053475 4.168891554284491 01_A0_Plasma_naive_0days_170427_UKy_GCH_rep1-acetone-NMR_A bGlc 13C-B_1 4.764054419213595 6436.323401082789 49.803622360698 4.748045858783072 02_A1_Plasma_naive_0days_170427_UKy_GCH_rep2-acetone-NMR_A bGlc 13C-B_1 4.764027075552631 6599.17160027532 61.61597537451109 4.162556975783945 03_A2_Plasma_naive_0days_170427_UKy_GCH_rep3-acetone-NMR_A bGlc 13C-B_1 4.763810459084061 2640.575022120427 25.63811724876438 3.942724280961429 04_B0_Plasma_syngenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A bGlc 13C-B_1 4.763914496151534 4743.371174982591 44.92442170002916 4.006170376527582 05_B1_Plasma_syngenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A bGlc 13C-B_1 4.763902182689954 5811.836706539887 52.58961516490353 4.230269289872372 06_B2_Plasma_syngenic_42days_170427_UKy_GCH_rep3-acetone-NMR_A bGlc 13C-B_1 4.764374980644713 5116.536681052371 50.37996080729068 3.853390897034509 07_C1-1_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A bGlc 13C-B_1 4.763699948678005 4485.327981670164 43.67848132385915 3.952574371272001 08_C1-2_Plasma_allogenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A bGlc 13C-B_1 4.762907750309993 4249.940031676486 42.73861128225416 3.797844992673826 09_C2-0_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A bGlc 13C-B_1 4.763635849144342 3219.404669226054 32.14096743666792 3.793673136664668 10_B1-0_Plasma_syngenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A bGlc 13C-B_1 4.763380871827491 2792.256279630451 27.1820198879629 3.863476406836444 11_B1-1_Plasma_syngenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A bGlc 13C-B_1 4.763706076857021 5253.140075646475 49.68844637965535 4.167813672119352 12_B1-2_Plasma_syngenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A bGlc 13C-B_1 4.763079967541302 3937.70766525021 38.23035753181478 3.978838609363376 13_C1-1_Plasma_allogenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A bGlc 13C-B_1 4.763737959980769 4693.543017558484 43.3949062274835 4.179601205065945 14_C1-2_Plasma_allogenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A bGlc 13C-B_1 4.764237685338878 5363.574070759039 48.72713646243035 4.18700744513574 15_C1-20_Plasma_allogenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A bGlc 13C-B_2 4.776230633562785 1897.017628057169 19.15517826582324 4.040595343070922 01_A0_Plasma_naive_0days_170427_UKy_GCH_rep1-acetone-NMR_A bGlc 13C-B_2 4.776753048223734 5983.788937221429 46.97096586155161 4.696759717606131 02_A1_Plasma_naive_0days_170427_UKy_GCH_rep2-acetone-NMR_A bGlc 13C-B_2 4.776580439148687 6062.358767591211 58.12772145052145 4.129130802426325 03_A2_Plasma_naive_0days_170427_UKy_GCH_rep3-acetone-NMR_A bGlc 13C-B_2 4.776540174702389 2362.5876942564 23.94658155360386 3.84692190880948 04_B0_Plasma_syngenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A bGlc 13C-B_2 4.776577696978958 3977.268396457574 41.51231284309082 3.924569311652885 05_B1_Plasma_syngenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A bGlc 13C-B_2 4.776423030481695 4779.55625461157 48.45252909414629 4.038211340433906 06_B2_Plasma_syngenic_42days_170427_UKy_GCH_rep3-acetone-NMR_A bGlc 13C-B_2 4.777080421806986 4262.971605556329 46.11690348733097 3.741052713219024 07_C1-1_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A bGlc 13C-B_2 4.776403438567612 3962.599114657431 40.98030924772531 3.872625571783446 08_C1-2_Plasma_allogenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A bGlc 13C-B_2 4.775579334240482 3814.688227710631 40.06976978589596 3.828794173715449 09_C2-0_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A bGlc 13C-B_2 4.776425573313515 2703.141281005898 29.66149151149068 3.692686589930859 10_B1-0_Plasma_syngenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A bGlc 13C-B_2 4.776176483185717 2374.939339446635 25.05405824433402 3.787504627337294 11_B1-1_Plasma_syngenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A bGlc 13C-B_2 4.776272122692665 5049.300290306655 47.87499193444894 4.121823393502199 12_B1-2_Plasma_syngenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A bGlc 13C-B_2 4.775741443318854 3491.648954870473 35.98009333446615 3.860890149117187 13_C1-1_Plasma_allogenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A bGlc 13C-B_2 4.776319232506616 4025.430833815751 40.70173866171218 3.984737684353696 14_C1-2_Plasma_allogenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A bGlc 13C-B_2 4.776814404946357 4616.55129404528 45.68423076078565 3.992729128684871 15_C1-20_Plasma_allogenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A bGlc_1 4.632112768268681 4080.837237013605 63.70681537339521 2.598170329390264 01_A0_Plasma_naive_0days_170427_UKy_GCH_rep1-acetone-NMR_A bGlc_1 4.632487036373386 2744.874649528072 32.60262975214971 3.290309702843962 02_A1_Plasma_naive_0days_170427_UKy_GCH_rep2-acetone-NMR_A bGlc_1 4.632456800004669 2558.910347471317 36.63108510901636 2.767851761158511 03_A2_Plasma_naive_0days_170427_UKy_GCH_rep3-acetone-NMR_A bGlc_1 4.632347154183762 10018.24892553505 158.9821817156805 2.459837202070186 04_B0_Plasma_syngenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A bGlc_1 4.632347620835582 4887.276982879004 65.8653093393406 2.8310349522805 05_B1_Plasma_syngenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A bGlc_1 4.632375962499955 942.9888505400663 13.62894334623333 2.784467213311803 06_B2_Plasma_syngenic_42days_170427_UKy_GCH_rep3-acetone-NMR_A bGlc_1 4.632709470658556 6874.177602078176 96.07863867366865 2.81936336974214 07_C1-1_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A bGlc_1 4.63204872548642 8814.022386508976 124.0605593140989 2.811035480330466 08_C1-2_Plasma_allogenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A bGlc_1 4.631255542988165 6113.427227256459 85.32557722329523 2.824051734548024 09_C2-0_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A bGlc_1 4.631978839690097 7437.678500089817 105.2141220413499 2.789895270869367 10_B1-0_Plasma_syngenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A bGlc_1 4.631770029646328 7961.715824479238 114.7451502488416 2.75380889878446 11_B1-1_Plasma_syngenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A bGlc_1 4.632150343344735 1524.321348671131 21.29045482313997 2.916136504756749 12_B1-2_Plasma_syngenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A bGlc_1 4.631527641055814 3791.777848248918 58.11663235184518 2.619034740235898 13_C1-1_Plasma_allogenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A bGlc_1 4.632190580355258 1092.491250275207 15.40482631868046 2.852511917637583 14_C1-2_Plasma_allogenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A bGlc_1 4.632614564336629 982.6316266351037 13.63136136728384 2.817204677986115 15_C1-20_Plasma_allogenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A bGlc_2 4.645375661567082 3978.372042437701 62.5665546038097 2.648661437307822 01_A0_Plasma_naive_0days_170427_UKy_GCH_rep1-acetone-NMR_A bGlc_2 4.645676166364215 2735.150814274136 31.94874093471661 3.381650502269551 02_A1_Plasma_naive_0days_170427_UKy_GCH_rep2-acetone-NMR_A bGlc_2 4.645660964100712 2591.340793712717 36.02623039022482 2.865803126482525 03_A2_Plasma_naive_0days_170427_UKy_GCH_rep3-acetone-NMR_A bGlc_2 4.64557956424683 9057.21709142895 154.8752931781717 2.467429682222864 04_B0_Plasma_syngenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A bGlc_2 4.645616869999599 4101.001216002222 62.91379564575754 2.661472543749907 05_B1_Plasma_syngenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A bGlc_2 4.645648518539057 999.3851507865629 13.45936084183672 2.878481601912435 06_B2_Plasma_syngenic_42days_170427_UKy_GCH_rep3-acetone-NMR_A bGlc_2 4.646006815408904 5659.874781027456 90.21889962265404 2.638923600008236 07_C1-1_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A bGlc_2 4.64527223324923 8048.306526918866 118.7304766138959 2.774041542954164 08_C1-2_Plasma_allogenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A bGlc_2 4.644539369699188 5190.200121494093 80.9930864552583 2.66933581455354 09_C2-0_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A bGlc_2 4.645202467516079 6516.124531155282 100.2713065451509 2.736268980691079 10_B1-0_Plasma_syngenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A bGlc_2 4.645043031538711 7195.967030593347 112.0097897992177 2.633387411252579 11_B1-1_Plasma_syngenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A bGlc_2 4.645404465404697 1559.413979428726 21.04921578197446 2.906914545131342 12_B1-2_Plasma_syngenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A bGlc_2 4.644783468472341 3615.70023985563 56.75611484258705 2.596907215463433 13_C1-1_Plasma_allogenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A bGlc_2 4.645445415856983 1120.532324817152 15.01034691098816 2.917430734327912 14_C1-2_Plasma_allogenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A bGlc_2 4.645857684853294 1074.816504008713 13.65522273225255 2.90193115350172 15_C1-20_Plasma_allogenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A bOH-butyrate_1 1.186462857247469 8529.488955334347 8.9274919027611 29.39822993008488 01_A0_Plasma_naive_0days_170427_UKy_GCH_rep1-acetone-NMR_A bOH-butyrate_1 1.185909134841598 368.8810415931524 5.226866063753296 2.52889217210066 04_B0_Plasma_syngenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A bOH-butyrate_1 1.18591636284614 1009.658504957197 13.17633149091609 2.70356644535276 05_B1_Plasma_syngenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A bOH-butyrate_1 1.18956083434457 11449.22906220909 14.91097667392812 25.95991443686984 07_C1-1_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A bOH-butyrate_1 1.185256891999745 2842.706574481411 23.66278858970075 3.913518097629801 08_C1-2_Plasma_allogenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A bOH-butyrate_1 1.184990591023364 2262.857640710313 20.47861335091483 3.783638468441381 09_C2-0_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A bOH-butyrate_1 1.185313964261124 4150.727113652117 39.96613967617713 3.560274428673436 10_B1-0_Plasma_syngenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A bOH-butyrate_1 1.186045713648594 7915.623310536074 13.57091783411995 17.94748230455222 11_B1-1_Plasma_syngenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A bOH-butyrate_2 1.186462857247469 8529.488955334347 8.9274919027611 29.39822993008488 01_A0_Plasma_naive_0days_170427_UKy_GCH_rep1-acetone-NMR_A bOH-butyrate_2 1.185909134841598 368.8810415931524 5.226866063753296 2.52889217210066 04_B0_Plasma_syngenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A bOH-butyrate_2 1.18591636284614 1009.658504957197 13.17633149091609 2.70356644535276 05_B1_Plasma_syngenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A bOH-butyrate_2 1.18956083434457 11449.22906220909 14.91097667392812 25.95991443686984 07_C1-1_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A bOH-butyrate_2 1.185256891999745 2842.706574481411 23.66278858970075 3.913518097629801 08_C1-2_Plasma_allogenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A bOH-butyrate_2 1.184990591023364 2262.857640710313 20.47861335091483 3.783638468441381 09_C2-0_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A bOH-butyrate_2 1.185313964261124 4150.727113652117 39.96613967617713 3.560274428673436 10_B1-0_Plasma_syngenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A bOH-butyrate_2 1.186045713648594 7915.623310536074 13.57091783411995 17.94748230455222 11_B1-1_Plasma_syngenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A pyruvate-3_1 2.363669564020943 804.8788887191536 11.73049590762232 2.603388394253535 01_A0_Plasma_naive_0days_170427_UKy_GCH_rep1-acetone-NMR_A pyruvate-3_1 2.364122716517781 618.768391644901 7.23908087258392 3.237735387895655 02_A1_Plasma_naive_0days_170427_UKy_GCH_rep2-acetone-NMR_A pyruvate-3_1 2.363951711647458 588.8433070954574 7.669035765688788 2.82621868261084 03_A2_Plasma_naive_0days_170427_UKy_GCH_rep3-acetone-NMR_A pyruvate-3_1 2.363914180813018 918.3516447098524 14.44405129840508 2.468353056691695 04_B0_Plasma_syngenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A pyruvate-3_1 2.364093085575555 372.6212356668167 5.305933391181717 2.55053868018067 05_B1_Plasma_syngenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A pyruvate-3_1 2.363713284899676 546.4198168351552 5.935458619173017 3.212204019979864 06_B2_Plasma_syngenic_42days_170427_UKy_GCH_rep3-acetone-NMR_A pyruvate-3_1 2.364357038980773 705.801026264313 10.54696828704053 2.572013159546544 07_C1-1_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A pyruvate-3_1 2.36364797903011 1219.882146597924 17.90878970871775 2.584499419026093 08_C1-2_Plasma_allogenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A pyruvate-3_1 2.363040908837263 522.9087821292178 8.255416281567785 2.511191836740144 09_C2-0_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A pyruvate-3_1 2.363608734577645 728.3389492550278 11.69694948170656 2.484961367608211 10_B1-0_Plasma_syngenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A pyruvate-3_1 2.363368498673625 1220.347253404442 19.90584048640241 2.454007522237 11_B1-1_Plasma_syngenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A pyruvate-3_1 2.363597155526254 584.9745379717812 6.830194341492346 3.044617787719547 12_B1-2_Plasma_syngenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A pyruvate-3_1 2.363146664321711 648.7049207107918 10.61095932779745 2.457630260092142 13_C1-1_Plasma_allogenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A pyruvate-3_1 2.363370448381898 340.71175821458 3.456001010483379 3.432142739293677 14_C1-2_Plasma_allogenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A pyruvate-3_1 2.363915788246471 382.3595239541247 4.713607208504005 2.848446037819736 15_C1-20_Plasma_allogenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A EXTENDED_NMR_METABOLITE_DATA_END #END