#METABOLOMICS WORKBENCH STUDY_ID:ST000000 ANALYSIS_ID:AN000000
VERSION             	1
CREATED_ON          	2020-08-19
#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 cells,
PR:PROJECT_SUMMARY               	therefore making the lung susceptible to a two-pronged attack, one of which
PR:PROJECT_SUMMARY               	overlaps with GVHD causing other target organ injury. IPS results in mortality of
PR:PROJECT_SUMMARY               	up to 90% of patients. We will use a murine model of IPS and GVHD which is well
PR:PROJECT_SUMMARY               	established in our group, and in which disease evolves either across disparities
PR:PROJECT_SUMMARY               	in major histocompatibility complex (MCH) class I and II, minor
PR:PROJECT_SUMMARY               	histocompatibility antigens (miHags) or both. Metabolomics changes following
PR:PROJECT_SUMMARY               	syngeneic and allogeneic HCT at post-transplantation Days +7 (cytokine storm
PR:PROJECT_SUMMARY               	phase) and Days +42 (cellular effector phase) are compared to baseline wild-type
PR:PROJECT_SUMMARY               	(naive) controls. Prior to analysis, naïve - and experimental mice (N=3 from each
PR:PROJECT_SUMMARY               	group) were fed with semi-liquid diet supplemented with tracers (13C6-glucose )
PR:PROJECT_SUMMARY               	over 24 hours. At the end of 7 days or 42 days, respectively, feces and aGVHD
PR:PROJECT_SUMMARY               	target organs (colon, liver and lung) were collected from all groups and further
PR:PROJECT_SUMMARY               	processed and / or analyzed. We expect to reveal metabolic pathways affected
PR:PROJECT_SUMMARY               	after allo-HCT which contribute to immune cell mediated lung injury (IPS) and
PR:PROJECT_SUMMARY               	will potentially identify different metabolic pathways in other GVHD target
PR:PROJECT_SUMMARY               	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                   	Colon 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 cells,
ST:STUDY_SUMMARY                 	therefore making the lung susceptible to a two-pronged attack, one of which
ST:STUDY_SUMMARY                 	overlaps with GVHD causing other target organ injury. IPS results in mortality of
ST:STUDY_SUMMARY                 	up to 90% of patients. We will use a murine model of IPS and GVHD which is well
ST:STUDY_SUMMARY                 	established in our group, and in which disease evolves either across disparities
ST:STUDY_SUMMARY                 	in major histocompatibility complex (MCH) class I and II, minor
ST:STUDY_SUMMARY                 	histocompatibility antigens (miHags) or both. Metabolomics changes following
ST:STUDY_SUMMARY                 	syngeneic and allogeneic HCT at post-transplantation Days +7 (cytokine storm
ST:STUDY_SUMMARY                 	phase) and Days +42 (cellular effector phase) are compared to baseline wild-type
ST:STUDY_SUMMARY                 	(naive) controls. Prior to analysis, naïve - and experimental mice (N=3 from each
ST:STUDY_SUMMARY                 	group) were fed with semi-liquid diet supplemented with tracers (13C6-glucose )
ST:STUDY_SUMMARY                 	over 24 hours. At the end of 7 days or 42 days, respectively, feces and aGVHD
ST:STUDY_SUMMARY                 	target organs (colon, liver and lung) were collected from all groups and further
ST:STUDY_SUMMARY                 	processed and / or analyzed. We expect to reveal metabolic pathways affected
ST:STUDY_SUMMARY                 	after allo-HCT which contribute to immune cell mediated lung injury (IPS) and
ST:STUDY_SUMMARY                 	will potentially identify different metabolic pathways in other GVHD target
ST:STUDY_SUMMARY                 	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                  	Mouse
SU:SUBJECT_SPECIES               	Mus musculus
SU:TAXONOMY_ID                   	10090
#SUBJECT_SAMPLE_FACTORS:         	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data
SUBJECT_SAMPLE_FACTORS           	-	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A	Treatment Protocol:naive	lineage_1=03_A2_naive_0days_UKy_GCH_rep3; protocol.id=['naive']; replicate=3; species=Mus musculus; species_type=Mouse; taxonomy_id=10090; time_point=0; lineage_2=03_A2_Colon_naive_0days_170427_UKy_GCH_rep3; protocol.id=['mouse_tissue_collection', 'tissue_quench', 'frozen_tissue_grind']; lineage_3=03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A; protocol.id=['polar_extraction', 'NMR_file_storage48']; replicate=1; replicate%type=analytical; type=cell_extract; weight=0.3663; weight%units=g; lineage_4=03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-protein; protein_weight=0.6317204628207644; protein_weight%units=mg; protocol.id=['protein_extraction']; RAW_FILE_NAME=03_A2_13C6-Glc_UKy_GCH_Ms_colon_PRESAT_01.fid/fid
SUBJECT_SAMPLE_FACTORS           	-	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A	Treatment Protocol:syngenic	lineage_1=06_B2_syngenic_42days_UKy_GCH_rep3; protocol.id=['syngenic']; replicate=3; species=Mus musculus; species_type=Mouse; taxonomy_id=10090; time_point=42; lineage_2=06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3; protocol.id=['mouse_tissue_collection', 'tissue_quench', 'frozen_tissue_grind']; lineage_3=06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A; protocol.id=['polar_extraction', 'NMR_file_storage51']; replicate=1; replicate%type=analytical; type=cell_extract; weight=0.3947; weight%units=g; lineage_4=06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-protein; protein_weight=1.5623114343705382; protein_weight%units=mg; protocol.id=['protein_extraction']; RAW_FILE_NAME=06_B2_13C6-Glc_UKy_GCH_Ms_colon_PRESAT_01.fid/fid
SUBJECT_SAMPLE_FACTORS           	-	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A	Treatment Protocol:allogenic	lineage_1=15_C1-20_allogenic_7days_UKy_GCH_rep3; protocol.id=['allogenic']; replicate=3; species=Mus musculus; species_type=Mouse; taxonomy_id=10090; time_point=7; lineage_2=15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3; protocol.id=['mouse_tissue_collection', 'tissue_quench', 'frozen_tissue_grind']; lineage_3=15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A; protocol.id=['polar_extraction', 'NMR_file_storage60']; replicate=1; replicate%type=analytical; type=cell_extract; weight=0.4508; weight%units=g; lineage_4=15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-protein; protein_weight=1.9186640291000003; protein_weight%units=mg; protocol.id=['protein_extraction']; RAW_FILE_NAME=15_C1-20_13C6-Glc_UKy_GCH_Ms_colon_PRESAT_01.fid/fid
SUBJECT_SAMPLE_FACTORS           	-	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A	Treatment Protocol:allogenic	lineage_1=13_C1-1_allogenic_7days_UKy_GCH_rep1; protocol.id=['allogenic']; replicate=1; species=Mus musculus; species_type=Mouse; taxonomy_id=10090; time_point=7; lineage_2=13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1; protocol.id=['mouse_tissue_collection', 'tissue_quench', 'frozen_tissue_grind']; lineage_3=13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A; protocol.id=['polar_extraction', 'NMR_file_storage58']; replicate=1; replicate%type=analytical; type=cell_extract; weight=0.4385; weight%units=g; lineage_4=13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-protein; protein_weight=2.0735556513766173; protein_weight%units=mg; protocol.id=['protein_extraction']; RAW_FILE_NAME=13_C1-1_13C6-Glc_UKy_GCH_Ms_colon_PRESAT_01.fid/fid
SUBJECT_SAMPLE_FACTORS           	-	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A	Treatment Protocol:naive	lineage_1=02_A1_naive_0days_UKy_GCH_rep2; protocol.id=['naive']; replicate=2; species=Mus musculus; species_type=Mouse; taxonomy_id=10090; time_point=0; lineage_2=02_A1_Colon_naive_0days_170427_UKy_GCH_rep2; protocol.id=['mouse_tissue_collection', 'tissue_quench', 'frozen_tissue_grind']; lineage_3=02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A; protocol.id=['polar_extraction', 'NMR_file_storage47']; replicate=1; replicate%type=analytical; type=cell_extract; weight=0.4216; weight%units=g; lineage_4=02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-protein; protein_weight=0.4626846570186025; protein_weight%units=mg; protocol.id=['protein_extraction']; RAW_FILE_NAME=02_A1_13C6-Glc_UKy_GCH_Ms_colon_PRESAT_01.fid/fid
SUBJECT_SAMPLE_FACTORS           	-	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A	Treatment Protocol:naive	lineage_1=01_A0_naive_0days_UKy_GCH_rep1; protocol.id=['naive']; replicate=1; species=Mus musculus; species_type=Mouse; taxonomy_id=10090; time_point=0; lineage_2=01_A0_Colon_naive_0days_170427_UKy_GCH_rep1; protocol.id=['mouse_tissue_collection', 'tissue_quench', 'frozen_tissue_grind']; lineage_3=01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A; protocol.id=['polar_extraction', 'NMR_file_storage46']; replicate=1; replicate%type=analytical; type=cell_extract; weight=0.1834; weight%units=g; lineage_4=01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-protein; protein_weight=0.6181768442446792; protein_weight%units=mg; protocol.id=['protein_extraction']; RAW_FILE_NAME=01_A0_13C6-Glc_UKy_GCH_Ms_colon_PRESAT_01.fid/fid
SUBJECT_SAMPLE_FACTORS           	-	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A	Treatment Protocol:allogenic	lineage_1=08_C1-2_allogenic_42days_UKy_GCH_rep2; protocol.id=['allogenic']; replicate=2; species=Mus musculus; species_type=Mouse; taxonomy_id=10090; time_point=42; lineage_2=08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2; protocol.id=['mouse_tissue_collection', 'tissue_quench', 'frozen_tissue_grind']; lineage_3=08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A; protocol.id=['polar_extraction', 'NMR_file_storage53']; replicate=1; replicate%type=analytical; type=cell_extract; weight=0.4402; weight%units=g; lineage_4=08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-protein; protein_weight=1.6115317800148334; protein_weight%units=mg; protocol.id=['protein_extraction']; RAW_FILE_NAME=08_C1-2_13C6-Glc_UKy_GCH_Ms_colon_PRESAT_01.fid/fid
SUBJECT_SAMPLE_FACTORS           	-	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A	Treatment Protocol:allogenic	lineage_1=09_C2-0_allogenic_42days_UKy_GCH_rep1; protocol.id=['allogenic']; replicate=1; species=Mus musculus; species_type=Mouse; taxonomy_id=10090; time_point=42; lineage_2=09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1; protocol.id=['mouse_tissue_collection', 'tissue_quench', 'frozen_tissue_grind']; lineage_3=09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A; protocol.id=['polar_extraction', 'NMR_file_storage54']; replicate=1; replicate%type=analytical; type=cell_extract; weight=0.4197; weight%units=g; lineage_4=09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-protein; protein_weight=1.6843458692847952; protein_weight%units=mg; protocol.id=['protein_extraction']; RAW_FILE_NAME=09_C2-0_13C6-Glc_UKy_GCH_Ms_colon_PRESAT_01.fid/fid
SUBJECT_SAMPLE_FACTORS           	-	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A	Treatment Protocol:syngenic	lineage_1=11_B1-1_syngenic_7days_UKy_GCH_rep2; protocol.id=['syngenic']; replicate=2; species=Mus musculus; species_type=Mouse; taxonomy_id=10090; time_point=7; lineage_2=11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2; protocol.id=['mouse_tissue_collection', 'tissue_quench', 'frozen_tissue_grind']; lineage_3=11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A; protocol.id=['polar_extraction', 'NMR_file_storage56']; replicate=1; replicate%type=analytical; type=cell_extract; weight=0.4494; weight%units=g; lineage_4=11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-protein; protein_weight=1.2443973624103961; protein_weight%units=mg; protocol.id=['protein_extraction']; RAW_FILE_NAME=11_B1-1_13C6-Glc_UKy_GCH_Ms_colon_PRESAT_01.fid/fid
SUBJECT_SAMPLE_FACTORS           	-	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A	Treatment Protocol:allogenic	lineage_1=14_C1-2_allogenic_7days_UKy_GCH_rep2; protocol.id=['allogenic']; replicate=2; species=Mus musculus; species_type=Mouse; taxonomy_id=10090; time_point=7; lineage_2=14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2; protocol.id=['mouse_tissue_collection', 'tissue_quench', 'frozen_tissue_grind']; lineage_3=14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A; protocol.id=['polar_extraction', 'NMR_file_storage59']; replicate=1; replicate%type=analytical; type=cell_extract; weight=0.4314; weight%units=g; lineage_4=14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-protein; protein_weight=1.7420773775641787; protein_weight%units=mg; protocol.id=['protein_extraction']; RAW_FILE_NAME=14_C1-2_13C6-Glc_UKy_GCH_Ms_colon_PRESAT_01.fid/fid
SUBJECT_SAMPLE_FACTORS           	-	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A	Treatment Protocol:syngenic	lineage_1=10_B1-0_syngenic_7days_UKy_GCH_rep1; protocol.id=['syngenic']; replicate=1; species=Mus musculus; species_type=Mouse; taxonomy_id=10090; time_point=7; lineage_2=10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1; protocol.id=['mouse_tissue_collection', 'tissue_quench', 'frozen_tissue_grind']; lineage_3=10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A; protocol.id=['polar_extraction', 'NMR_file_storage55']; replicate=1; replicate%type=analytical; type=cell_extract; weight=0.4526; weight%units=g; lineage_4=10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-protein; protein_weight=0.9744309499653369; protein_weight%units=mg; protocol.id=['protein_extraction']; RAW_FILE_NAME=10_B1-0_13C6-Glc_UKy_GCH_Ms_colon_PRESAT_01.fid/fid
SUBJECT_SAMPLE_FACTORS           	-	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A	Treatment Protocol:syngenic	lineage_1=04_B0_syngenic_42days_UKy_GCH_rep1; protocol.id=['syngenic']; replicate=1; species=Mus musculus; species_type=Mouse; taxonomy_id=10090; time_point=42; lineage_2=04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1; protocol.id=['mouse_tissue_collection', 'tissue_quench', 'frozen_tissue_grind']; lineage_3=04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A; protocol.id=['polar_extraction', 'NMR_file_storage49']; replicate=1; replicate%type=analytical; type=cell_extract; weight=0.4553; weight%units=g; lineage_4=04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-protein; protein_weight=0.6679368105226386; protein_weight%units=mg; protocol.id=['protein_extraction']; RAW_FILE_NAME=04_B0_13C6-Glc_UKy_GCH_Ms_colon_PRESAT_01.fid/fid
SUBJECT_SAMPLE_FACTORS           	-	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A	Treatment Protocol:syngenic	lineage_1=12_B1-2_syngenic_7days_UKy_GCH_rep3; protocol.id=['syngenic']; replicate=3; species=Mus musculus; species_type=Mouse; taxonomy_id=10090; time_point=7; lineage_2=12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3; protocol.id=['mouse_tissue_collection', 'tissue_quench', 'frozen_tissue_grind']; lineage_3=12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A; protocol.id=['polar_extraction', 'NMR_file_storage57']; replicate=1; replicate%type=analytical; type=cell_extract; weight=0.4515; weight%units=g; lineage_4=12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-protein; protein_weight=1.6127238309055993; protein_weight%units=mg; protocol.id=['protein_extraction']; RAW_FILE_NAME=12_B1-2_13C6-Glc_UKy_GCH_Ms_colon_PRESAT_01.fid/fid
SUBJECT_SAMPLE_FACTORS           	-	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A	Treatment Protocol:syngenic	lineage_1=05_B1_syngenic_42days_UKy_GCH_rep2; protocol.id=['syngenic']; replicate=2; species=Mus musculus; species_type=Mouse; taxonomy_id=10090; time_point=42; lineage_2=05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2; protocol.id=['mouse_tissue_collection', 'tissue_quench', 'frozen_tissue_grind']; lineage_3=05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A; protocol.id=['polar_extraction', 'NMR_file_storage50']; replicate=1; replicate%type=analytical; type=cell_extract; weight=0.4156; weight%units=g; lineage_4=05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-protein; protein_weight=0.6160223770621668; protein_weight%units=mg; protocol.id=['protein_extraction']; RAW_FILE_NAME=05_B1_13C6-Glc_UKy_GCH_Ms_colon_PRESAT_01.fid/fid
SUBJECT_SAMPLE_FACTORS           	-	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A	Treatment Protocol:allogenic	lineage_1=07_C1-1_allogenic_42days_UKy_GCH_rep1; protocol.id=['allogenic']; replicate=1; species=Mus musculus; species_type=Mouse; taxonomy_id=10090; time_point=42; lineage_2=07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1; protocol.id=['mouse_tissue_collection', 'tissue_quench', 'frozen_tissue_grind']; lineage_3=07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A; protocol.id=['polar_extraction', 'NMR_file_storage52']; replicate=1; replicate%type=analytical; type=cell_extract; weight=0.44; weight%units=g; lineage_4=07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-protein; protein_weight=1.2093335004111359; protein_weight%units=mg; protocol.id=['protein_extraction']; RAW_FILE_NAME=07_C1-1_13C6-Glc_UKy_GCH_Ms_colon_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                   	mouse
#TREATMENT
TR:TREATMENT_SUMMARY             	Mouse with allogenic bone marrow transplant. Fed with semi-liquid diet supplemented with fully labeled glucose for 24 hours before harvest.
TR:TREATMENT_SUMMARY             	Mouse with no treatment. Fed with semi-liquid diet supplemented with fully labeled glucose for 24 hours before harvest.
TR:TREATMENT_SUMMARY             	Mouse with syngenic bone marrow transplant. Fed with semi-liquid diet supplemented with fully labeled glucose for 24 hours before harvest.
TR:TREATMENT_PROTOCOL_ID         	allogenic
TR:TREATMENT_PROTOCOL_ID         	naive
TR:TREATMENT_PROTOCOL_ID         	syngenic
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	Protein extraction and quantification.
SP:SAMPLEPREP_SUMMARY            	Frozen tissue is ground in a SPEX grinder under liquid nitrogen to homogenize the sample.
SP:SAMPLEPREP_SUMMARY            	Tissue is frozen in liquid nitrogen to stop metabolic processes.
SP:SAMPLEPREP_SUMMARY            	Polar extraction from homogenate, lypholized, and frozen.
SP:SAMPLEPREP_PROTOCOL_ID        	protein_extraction; frozen_tissue_grind; tissue_quench; polar_extraction
SP:SAMPLEPREP_PROTOCOL_FILENAME  	4B_Extract_Polar_Lipid_Prot_Fan_070417.pdf; 4D_17Jun4_Fan_Prot_Quant.pdf
#ANALYSIS
AN:ANALYSIS_TYPE                 	NMR
#NMR
NM:INSTRUMENT_NAME               	Agilent 600
NM:INSTRUMENT_TYPE               	Agilent 600
NM:NMR_EXPERIMENT_TYPE           	PRESAT (1H1D)
NM:STANDARD_CONCENTRATION        	0.5 mM
NM:SPECTROMETER_FREQUENCY        	600 MHz
NM:NMR_PROBE                     	cryogenic triple resonance HCN
NM:NMR_SOLVENT                   	D20
NM:NMR_TUBE_SIZE                 	1.7 mm
NM:SHIMMING_METHOD               	gradient shimming
NM:PULSE_SEQUENCE                	PRESAT
NM:WATER_SUPPRESSION             	presaturation
NM:CHEMICAL_SHIFT_REF_CPD        	DSS
NM:TEMPERATURE                   	15 celsius
NM:ACQUISITION_TIME              	2 s
NM:RELAXATION_DELAY              	4 s
NM:BASELINE_CORRECTION_METHOD    	Bernstein Polynomial
#NMR_METABOLITE_DATA
NMR_METABOLITE_DATA:UNITS	normalized peak area
NMR_METABOLITE_DATA_START
Samples	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Factors	Treatment Protocol:naive	Treatment Protocol:syngenic	Treatment Protocol:allogenic	Treatment Protocol:allogenic	Treatment Protocol:naive	Treatment Protocol:naive	Treatment Protocol:allogenic	Treatment Protocol:allogenic	Treatment Protocol:syngenic	Treatment Protocol:allogenic	Treatment Protocol:syngenic	Treatment Protocol:syngenic	Treatment Protocol:syngenic	Treatment Protocol:syngenic	Treatment Protocol:allogenic
AXP-1' 13C-A_1	331.5317838779235	253.5358236035876	472.3561530882483	238.4711973663019	231.9680000863343	173.7153488051175	539.5833210157014	962.2147308806843	276.4855513627148	685.051582	412.5302693984606	58.17457293135448	645.7842857752023	192.7162640229122	314.9515840027068
AXP-1' 13C-A_2				155.785412514407											
AXP-1' 13C-B_1	285.7567884320343	315.3923743761549	535.7940917919707	451.0329120099067	284.1814461167734	186.9516569890583	468.5405269486064	979.9348077165542	310.5358099633044	1014.145240525968	393.6379244937825	115.0142151226817	498.8141421600839	146.803447934583	367.3798774345882
AXP-1'_1	165.6712382977046	141.3335732643067	165.4277587763141	302.6059228890713	92.7095373540717	94.16672684287246	252.7288482616979	438.0587753899525	158.4967726018954	184.5798104396603	152.3186949057814	70.97353208819227	196.864076489351	123.24119535207	187.3895359570287
AXP-1'_2	411.8286368074893	357.5152587350875	348.1855209838985	565.3801304336687	215.5337546713212	83.34396410043632	189.4496008498553	620.7540574948047	268.0585797786896	414.6230925433069	362.1006760038646	174.2174812456115	232.4675379970918	245.0847605617159	314.5648534455349
AXP-1'_3	201.5088888668995	171.7158755308274	162.6052776534937	308.5233562362685	130.0024180213899	174.262114361423	597.2490514143204	314.9615730582897	246.9772059946797	176.6562795043711	186.1377804834966	62.29895469525854	225.3165648138693	98.11990815547468	162.5072976343464
AXP-1'_4						151.6407168947468	112.3913854905968								
AXP-1'_5							490.3406140756214								
AXP-2_1	628.4788468056789	557.0108758524696	491.8736859414482	599.900785924509	419.5521495412679	461.42657302557	723.4410949758117	897.1488989538611	320.0425311638945	506.9861606552332	299.2028331409126	384.2597646933987	342.7467824681286	428.9297941462228	640.3225901695157
AXP-2_2				292.1771927952672			472.0160068162779	285.7565569665034	220.245417394307	111.1112566584391	192.3743939409327		210.2951953994787		
AXP-8_1	421.7663389563915	171.8907350042502	261.5503238167034	395.0034474776678	148.4748871353598	159.7257224669648	767.5889404036734	483.7090689901094	237.4310818214043	297.9272962213938	214.04185395801	88.5792235321774	256.4611242014972	131.8159034565274	180.8346330805545
AXP-8_2		197.1713604874701	158.7278232365341	269.4825302262851	133.1897882847929	154.8404160405245	305.2721088915777	296.4670744434437	252.0060890787692	203.5252443092902	222.9796702070272	69.51887934366688	271.3739290821498	77.563747349408	120.0258394034822
Ace-2_1	412.2064968170358	140.6346173043367	188.781058627272	202.9611120103798	103.28176230559	9.754405578204151	147.017467551439	1094.970650848673	424.6474453642241	325.7943136666667	366.3933018275557	118.5687188068053	324.5306124039801	158.0928056101485	221.2478138155512
Ala-3_1	277.6145305996395	112.1053182211423	142.5001783065113	245.0322702206779	83.28868798975283	202.7674034497919	453.298050873778	427.1229059155198	241.4738331924239	271.4376677500108	165.2445014728667	67.77025761360296	162.6432785603009	72.22466838645985	142.4144288987204
Ala-3_2	245.7716884188881	123.9633474494976	121.8318342866483	262.1791231426083	95.48244908401017	207.2473832469257	422.8365869559161	422.1261476777185	244.4244195723249	263.7245650818363	152.9161868085437	69.1251009561542	174.8507668066475	88.75145871086652	182.2125129706269
Ala13C-A_1	15.55455355106551	44.82963027233451	68.07369833059293	43.49415176139211	28.43402635248064	6662.77937037323	37.85558324779275	87.30826003757839	10.80803358138035	104.0995478714353	64.22268247717568	37.99266402716984	79.287369573417	20.63211816355339	25.29796366743279
Ala13C-A_2	52.64591571771542	91.06392718306961	145.2306675746229	88.90637318078149	39.94929117458856	2661.239530786533	70.7230590613024	197.954569123652	28.05277527030708	243.198750567742	42.51736831798411	29.89073339774745	135.0234499793774	42.17501725893709	63.79168797712157
Ala13C-A_3	55.71696985366068	113.4224308506432	64.34436321637382	97.18327579757465	21.40363975238363	563.4459073404166	129.4965540141119	100.2804124484294	47.194834233839	122.6457545907806	65.98111557142498	71.14632930975539	179.2126478686373	49.86318621882152	69.42774172534457
Ala13C-A_4	66.26172258323388	97.34498239554931	97.9002697107759	124.9946188235179	66.73949937250643		108.4686720720039	111.2871012388072		110.0967160960613	62.96157908437971	31.89259647816957	189.3830946397519	48.12694227627247	82.19619184583121
Ala13C-A_5	15.46959482704588	40.14644794642096	161.6570815892315	36.85093409460043	15.87417501695477		24.77930648709092	228.1536966801028		272.030711594441		18.07222773091771	69.34519186502219	13.50302460608812	20.17750325828515
Ala13C-A_6			64.89846235965781					75.85250313232694		105.4811991579389					
Ala13C-B_1	12.48232044584687	34.2765701003441	59.08988951878436	30.10110703402093	20.23310213897628		20.07834077798115	73.55939443993475	41.86351239536042	91.89328231296717	8.441102181749898	26.53467578932312	72.26478289649702	10.14809219727003	18.2037522604467
Ala13C-B_2	53.5544185379269	120.4292900222221	167.4379960472869	110.7216377788043	48.64369430035142		111.9057176796464	284.5270622635108	40.62383169915281	253.0497995038972	55.56718403730857	27.88821232392622	206.5413455088301	48.29867929786863	78.21721012826325
Ala13C-B_3	53.47541710097138	84.31155269910714	60.06166600453792	34.79918012019287	627.8774974933596		69.43134824587278	107.1401522923909	10.49500285010308	126.1177173002416	35.68395212962987	25.81211046671371	62.28599875147626	37.01850046936118	59.14561424199477
Ala13C-B_4	70.74978988784831	115.3138452085833	102.8094828992204	61.04153362534853	37.72574142433362		117.0132149314468	104.2266389651564		117.3056786489371	51.41989332930687	12.36947969148089	127.7988686487959	45.56382094526956	86.93345389436395
Ala13C-B_5	19.95770701654327	45.90382399971774	158.4119885934377	103.7777153274364	38.00305293039448		32.72458518462471	246.7654840610116		273.9358842925341	18.91046662120451		190.7272914347874	21.87924794275284	32.53502281544181
Ala13C-B_6			67.58758026742609	31.46695052210332				77.52965251598611		120.2689237533019			82.37225196464748		
Asp-3b_1	110.1465058744282	77.25633405499785	121.7790586438098	143.119940325412	32.65788205949445	69.35250750678927	255.9182960863294	441.773886336804	116.3281825186827	271.9336560450207	90.66829986980972	34.94493501530471	80.6367374563338	51.7440342199415	107.8950196504714
Asp-3b_2	143.9127073528896	75.67205686581461	163.5036510851818	191.1761093434242	40.53856757618868	90.89242985072961	229.4470465322904	398.9713984433337	113.7722107567757	351.2742669178484	97.17047547282779	46.345121277	90.95534150279848	46.86872145082746	93.94311577515714
Asp-3b_3	85.1756861271919	37.5978901708747	62.69655117513475	75.40065599051317	27.05024271870924	48.22638814115297	143.690124464599	234.9275757568103	59.75209454720068	96.77883730236998	48.68088336692726	18.13829373225389	29.51574165746065	23.41676438344334	42.52674375373269
Asp-3b_4	80.32532996120206	36.23261107724507	68.6880477547864	85.39784727583162	30.49022363250583	38.14892449403709	127.526586809543	238.3101917948723	63.28651240390562	168.0569515930424	56.49107716102986	12.67459470361654	50.33081376144037	25.27092971669496	62.70993993600665
CXP-6_1	77.80328695926423	58.4408544560298	64.07196951610916	119.0681210385148	35.21836514824499	52.95884554810505	150.4636000825328	125.3755028248497	80.39666206745397	69.27003861028416	63.74630032878058	23.23584441579783	93.46573465827403	33.22143048836651	31.04529996960856
Creat-P_1										31.522572574931					
Creat_1	3380.251023776085	2918.210289594896	3616.59549388528	5111.030713343897	1855.904959208275	1869.346676588465	7044.137246865874	6950.504179102633	2978.962802893588	3745.745312797589	2815.315952497099	1129.205346335898	3580.362773439405	1774.57828960742	2867.310956126621
Cys-3-GSH_1	35.09096406258905	37.21642395142545	61.58165865153355	62.167663722444	14.92255515783373	16.05675546416744	101.7973807450389	121.9524594557385	31.17733891816156	49.07811764803824	29.87626499246533	11.88136640199992	40.05256692649385	18.37157866993579	36.86764539218755
Cys-3-GSH_2	140.4670456386769	6.76163067838164	10.58434460288903	6.06001954406928	76.27217661687689	76.72987895455182	29.13984976092024	41.14455487019885	134.2595065200548	19.11532447226879	121.9307357365265	55.25028128096148	178.4858328181998	62.00486797077198	10.16568526263563
Cys-3-GSH_3	139.8324181278533	119.8958769452	206.5244578244146	205.2918904189699	55.28830987782427	62.71506795882385	312.3582105314898	434.8912562575201	113.6190349710265	309.8982710748552	108.6389449210743	63.23412665258465	146.6854124417657	48.33756622186439	130.8394954125455
Cys-3-GSH_4	128.8004602075822	117.1636341410625	211.3091826011656	193.5306144773558	58.77388320060364	77.76284596886315	101.8024359848309	124.7223123242886	124.647916509514	252.6358368674254	120.4730578140835	40.24799232334141	165.2831329909487	49.18642657676297	129.5243297795873
Cys-3-GSH_5	108.0537694329725	103.0124939435222	164.0631744408116	176.9251084148942	57.10213190251242	81.3152369032464	259.6914333504446	394.4657651027167	123.7660160376625	245.4508140312031	109.0336193507739	31.49082911988157	152.0049288980384	55.10025166275132	108.8362051099816
Cys-3-GSH_6	15.94116788632945	84.98183975223918	139.9361724387237	160.2667987471436	14.92255515783373	27.10958235654059	277.9686556849024	409.5037028129317	31.17733891816156	218.8047776612187	29.87626499246533	11.88136640199992	40.05256692649385	18.37157866993579	84.87683562926105
Cys-3-GSH_7		37.21642395142545	61.58165865153355	62.167663722444			193.0721319763107	294.9064518436319		287.5285886582435					36.86764539218755
Cys-3-GSH_8							101.7973807450389	16.11322199143728							
Cys-3-GSH_9								121.9524594557385							
DSS_1	2548.92042041074	2335.643526473173	2558.886610621195	2437.329842046501	2397.956545162773	2622.007483913399	2423.902120695859	2653.328097361565	2616.74314167945	2534.742583054788	2560.623099653295	2579.773796890546	2580.377871668108	2480.505942819927	2579.594524401747
For_1	229.9743551009329	101.8618749105564	158.0231458152592	147.2239488309217	174.2896345156472	77.61665647566447	146.8938570197675	105.6540784937686	159.8655506394598	223.1242602602464	219.6420273398539	86.98365094586305	119.9581192213372	120.7992636630496	147.5045807392951
Fum_1	13.47866978260842			7.804740123197022	3.482057151924922	13.73034960344728	16.23367769659699	14.13954426027306	8.267302039360242		8.248793370868043				6.003886262239362
GSH+GSSG-3_1	513.8532054878916	302.0982081394622	203.9912367637945	363.2564262544294	222.1036408067048	508.8051916520172	625.243686797149	653.6570287057685	251.7403645327718	591.3470852941475	722.1881473238894	71.3202444781138	596.9667567975312	132.2900391525274	285.1845834457148
GSH+GSSG-3_2	660.1899757667898	387.7591799874503	135.9215869385617	349.81952505081	310.5515305951353	1362.96145331125	1136.567626789186	718.0279863008227	415.0255399702859	306.2148782807163	661.0044040238491	158.9866084564293	691.6733053249816	170.2235364314061	419.4527633604665
GSH+GSSG-3_3	22.03924133597016	397.2951609809501	376.6598760354977	757.4473009457421	327.4746875427429	87.23950597513455	937.8975273428728	275.3183587975009	780.6322422311919	94.62569849372534	24.26815104326788	211.6208184042908	29.09569374699516	249.2638264743661	502.2050332995775
GSH+GSSG-3_4	22.03924133597016	25.19458346207249	19.97372349425493	74.94223799127894	107.81946	445.2738684514407	55.32097422651805	507.2884025453117	25.27778568939355	224.596128500877	24.26815104326788	153.4589471462274	29.09569374699516	130.2739933627348	40.71714252806906
GSH+GSSG-3_5				74.94223799127894				298.8058242340376	25.27778568939355	156.219205325706					
GSH+GSSG-3_6								100.5596525838332	32.40371431942517	46.81224214040636					
GSH+GSSG-3_7								57.0067523574977							
GSH+GSSG-4_1	14.34975390204979	17.60624855187275	15.89955402919852	16.47638444346759	7.954784982460979	22.36855209860441	27.5555630804683	21.04530061828018	22.14205503447031	14.15756533408307	11.75476107765223	6.483377519168077	24.42842590980345	4.635048593685391	6.903560816202504
GSH+GSSG-4_2	26.45121157507666	36.76396336749495	17.15961566244253	34.60962940324472	29.62080626236089	49.98784737689769	55.06623148508105	49.16755797371756	59.59858368435494	5.902420646202762	24.23506214329409	38.16488479897794	48.55397452820369	12.33799320307463	18.89147809359989
GSH+GSSG-4_3	65.38470813947781	29.64439651837493	44.38899857080086	72.11596952492931	14.84653027115394	52.61388504893971	106.2924219284454	98.63074849339857	43.91145180454895	20.01184773872318	63.50601429546492	10.00909987218436	38.69084130538277	26.22637630045804	47.92312592637393
GSH+GSSG-4_4	47.46537283305379	62.47009762674983	39.12171605957028	58.14872750540732	27.46172379627975	46.78631560098533	86.89700486980458	75.53869732730126	67.55262059650305	50.93448694055267	38.56638392621103	58.53181755480212	55.76830795851485	18.96291389540953	35.60542993780837
GSH+GSSG-4_5	80.14275627032329	31.43765833704008	108.3026087695386	115.4305896666344	17.53872761502138	9.287984210435427	181.9982653356479	150.5700582318115	30.07745095413536	40.55492055338477	54.47971330783771	240.31556189804	26.77285093819225	32.51974841626888	74.72774064778834
GSH+GSSG-4_6	38.33684601157063	9.570751943753733	36.06410370247511	40.67915164859297	4.895492034289992	19.99351356329634	99.26053860672855	91.78594615003401	12.52982828770873	105.7274841060989	21.18984295223675		9.447823058059383	10.98390039884507	31.05844007807798
GSH+GSSG-4_7	15.86649867841447		11.724714124728	16.02289557069124		7.640869091585517	40.04303221866185	35.62472394463624		28.3993238446968	12.31002887676524			4.450430937015023	11.7008411855737
GSH+GSSG-4_8				5.543202270651926			13.41015882426243	12.97315233968481		9.931865374751277	7.063234208320908				
GSSG-12_1	103.4807808738552	25.88142413285023	36.86469292763883	133.5889112847522	42.25381440998588	125.8209406842129	169.5112953039022	234.2912213743782	115.5306698049082	460.9803057437379	90.85403820504482	8.967566	271.451784847652	26.33681701231256	90.7018371908846
GSSG-12_2	103.4807808738552	25.88142413285023	36.86469292763883	133.5889112847522	42.25381440998588	125.8209406842129	100.9517250520646	234.2912213743782	115.5306698049082	460.9803057437379	90.85403820504482	8.967566	271.451784847652	26.33681701231256	90.7018371908846
GSSG-12_3	84.66149627645522	38.7657008306975	38.47887032545423	420.3192662830365	33.02170908116118	37.51914384835295	107.6070372845798	132.7328556917542	324.6638723797209	62.1372528285235	50.34039225244273	19.981423	271.451784847652	39.7272702572542	67.50412448381182
GSSG-12_4	84.66149627645522	38.7657008306975	38.47887032545423	63.479270857084	33.02170908116118	1284.412407774744	107.6070372845798	132.7328556917542	324.6638723797209	62.1372528285235	50.34039225244273	19.981423	271.451784847652	39.7272702572542	67.50412448381182
GXP-1'_1	67.43013488194254	43.51893451617627	50.21895323502011	69.88807763999624	34.95148138880911	37.75189763936002	103.9865659614732	128.7082538991095	55.8867272479352	58.88483277723748	47.2174870718641	13.22767138509659	60.69144272365679	23.24511379356192	49.04892705908495
GXP-1'_2	44.81465930716627	31.98043088983647	39.38876802469435	92.58175396686048	28.43392532276753	29.51922501084704	84.17006015538317	90.3351987013607	37.19542216766837	34.74594870285475	46.07560291020006	13.05920331578936	34.38015543534901	17.60357936691143	41.55801531428945
Gln+Glu-2_1	88.4719416588007	18.743492866858	36.07391537953433	97.31133305987571	22.20487886830932	262.8878948302124	147.1136053674154	155.047076385726	61.2773049640657	34.9805948716675	37.4925051315113	8.378978129588033	32.58347304328716	8.529194917733053	31.46531435507046
Gln+Glu-2_10	76.3052384816405			50.82340723408029			542.9371633227476		359.3103110720073			38.22731953733051			
Gln+Glu-2_11	295.9080801765606			9.681037569558374			11.08366259397197		9.392150410029009						
Gln+Glu-2_2	53.31470275187041	40.82513160939218	42.19448723934566	80.27282684348737	16.71513021738282	663.0486068154378	146.4178305166854	186.3512764983554	24.13746468450374	54.46505129803728	20.91237339728101	48.84740832016582	35.77588516137629	8.681683336677983	48.50202827101558
Gln+Glu-2_3	24.88627233380782	13.30159577640211	25.90487565469002	109.3868093912215	10.83952749615307	1057.660058215874	125.2936873946338	179.0258575547762	61.90104371626711	34.73041685544757	25.11774302621496	37.38701032921857	22.4944375435374	13.01617605035074	23.63667046893663
Gln+Glu-2_4	42.08751902001344	32.13176175193303	46.1738212557897	161.4434643368599	16.76145412061939	2980.332631991236	158.1720416572999	186.0739807664988	86.47307589211323	77.96852034739108	44.73628562560495	80.49755308854634	35.37291651293963	116.5818066668534	43.68263211864231
Gln+Glu-2_5	54.96866977871298	202.4489792310303	20.08935181600651	133.6936128833447	135.5383262844165	892.6131554167383	102.9040597541269	103.0176436253319	37.59726833496357	24.03593507978694	47.15420319709056	11.92526047871351	12.84068504765907	10.9810611531125	13.39963524509296
Gln+Glu-2_6	20.37545156034068	3.911952283642404	307.0645479617469	779.657820597024	15.19248995680115		91.5214722252204	1128.053211652685	79.53607945673795	520.0841414482121	303.9702564530689	809.8722825155511	353.1323718001168	116.8081349430124	312.0753433448965
Gln+Glu-2_7	40.15582731109992	136.273827983117	192.6235863962704	1287.838456667895	140.9017429154978		516.553524548142	1113.279166380599	289.7613963925074	134.5165720356616	39.43392648082566	172.0234213291852	98.51068750742418		15.69871890049588
Gln+Glu-2_8	269.1296647723873	185.2073663581521	286.1702160564582	93.6947099152136			17.30785536799525	610.3309436557321	18.29519611009639	519.0064380447917	97.39702381409153	131.543583169843	350.806423018166		78.78776865006498
Gln+Glu-2_9	25.3524152751726			450.3177097084226			2141.758236253505	12.97333111714796	1040.414508280882		309.5275831643692	56.49924593304453	20.64337060505273		239.2269579974805
Gln-3_1	175.1738665317808	104.5606547745495	153.3191204325565	105.068568656217	134.874459611517	197.1877272563469	278.7072485567702	373.4466443392015	519.101310417462	285.5219279481821	210.8909915995208	28.01657047672299	170.9613035005571	79.002056120516	481.9068015785785
Gln-3_2	304.723182025745			741.7773474938815		170.6499699996316	618.10790398721	357.8192728791997	490.1692063750473	185.3343327365048	512.657545164767		484.8187424213197		
Gln-3_3				409.051405521387				3948.326794795798							
Gln-4_1	13.40725995379316	8.577508113648605	17.21594097755786	11.4509914334965	9.131323839472218	235.9792393007476	22.26087904657851	28.55408406531637	60.23179345540028	20.28617095091468	46.43933958767861	17.15367369270351	12.42824440009842	8.4314528695555	12.79316268160195
Gln-4_2	40.23849304856828	15.26294718407309	20.19598079976386	46.95575245259953	90.7318485642257	29.06691789609058	85.2524925077848	64.96573502401122	244.2725314106144	26.8318840465198	215.8714093727436	58.76005923694692	19.24670015395533	11.9037070819452	38.73316552027894
Gln-4_3	187.6020216396081	13.74183692725361	31.94481734880097	15.30404535216148	114.6671241458121	175.9424418615344	24.99611189591199	43.21750155906091	173.9235443306556	47.30861591640552	199.330469402601	66.22845438846764	28.96091921890894	9.113578450664104	15.77867679674713
Gln-4_4	166.0524618641772	146.1520204858858	349.6746148189787	337.3853086201585	12.7012067678444	364.21715571742	363.708423311882	586.6269063954086	72.09023885434604	431.9433896816535	56.57258138633102	17.15367369270351	249.8825811575925	85.29016194533258	218.618467972247
Gln-4_5	43.43006400371339	192.9733432648502	431.2577581431908	220.6399325765586		200.9921172149043	294.8377861814462	494.3509219306915	69.83019156290452	725.7182998658507			318.8162677519161	111.6562304000911	230.0939567317572
Gln-4_6		16.52607224108694	17.42056003080429	87.81034002686997		17.19261645469956	83.65025440734343	164.2849573183947		29.03610878445342			19.02746798486821	14.81257421247568	39.45459974546499
Gln-4_7				57.81031986896812		42.18746067003891	99.71425275737145	85.0123292192151							
Glu-3-a_1	47.00581355155996	39.42468422693823	176.4616797741002	38.90052351312067	405.3247446071871	643.9807809543402	13881.41465241976	218.1493581283524	76.70105204005745	228.7361803145786	93.84010329875858	3775.645851630424	97.69042757522212	155.9215876048304	44.62520059271407
Glu-3-a_10				2777.446958822103		119.0038989929681	709.7235331961037	469.8384194162937	28.10703949677946						
Glu-3-a_11				334.7245624277793		28.13738704872368		222.3131108597301	643.3754836859148						
Glu-3-a_12								83.05927386074495							
Glu-3-a_2	140.3615208041093	179.4581577885243	876.0591088996873	503.4708722562655	7814.733557517624	3151.022329287283	153.1353501775857	259.8237521507956	1069.08676906271	168.2509773840618	1048.644980141017	176.1841018572603	71.69205786250008	3238.268692092903	217.3597250304666
Glu-3-a_3	6974.336865982882	9420.32460429817	4148.168968953532	11998.00587423547	272.374144936913	131.420831786834	541.4999749296665	1023.54510000384	4884.592264024422	622.1677026130177	5852.51694856884	1543.648676591584	380.1674725606109	160.7956145140185	6617.37941149624
Glu-3-a_4	158.3766149144894	239.941453633436	748.9188223867615	77.89214752622506	232.4502959640575	206.3331698835669	934.4917694625924	5430.05986080838	168.1447633849362	4632.339945963963	126.3618285012945	68.49699196183184	9526.965203958087	183.0441088383378	41.61608661564964
Glu-3-a_5	277.4351931944747	219.3621059377054	502.5566657216197	486.1476823807281	387.670043231331	382.2284799619486	268.1182208595718	1299.660760616461	413.6794672575366	1185.810939476668	255.2863105992964		392.4639953819415	286.825559069744	411.4658029795374
Glu-3-a_6	475.6757556393929	184.563922658869	182.0259320920935	646.7011577443872	234.6286622103888	267.839128087138	503.7629076873798	684.709191966574	657.9929803411812	828.8943940247718	559.98077230726		25.36720855189013	81.71544392538068	334.6187276291056
Glu-3-a_7	196.7605548871333	178.0245066441039	62.94263345618999	128.6674535604435		132.8843246797587	391.3611126023362	3023.621330915666	124.3499929650697	164.1338120578871	45.48086146555777		1193.311360897299		301.4949745882279
Glu-3-a_8				322.4448599087617		53.67911445193668	576.1598996263176	1048.229636150213	286.5863150297852	220.271531849362	940.9732342563161		245.543703217458		83.73097887360788
Glu-3-a_9				211.6966880454341		32.43353950562823	207.0322304301819	262.6474081565934	722.6667040914659	26.47180349844398	469.9826312385836				
Glu-3-b_1	7.708952050484295	1508.764484954237	13.8231822140419	11.62331059761495	50.59114332816721	45.47163568774175	16.90996574262692	124.7091821113988	122.0303136191363	59.51155343059708	22.72438791587507	403.7991175251078	12.3352420400105	673.9148716381077	12.14094445321778
Glu-3-b_2	32.22454804481785		1225.463911779618	43.85468308158597	562.3630507056888	142.4329663711283	60.87037954184688	29.88419170513093	34.62459415686992	19.99981072871926	67.26178217942781		44.36253569567625		44.23893223424719
Glu-3-b_3	94.99528444889772			197.2053509820165		115.0869639397021	287.671905824193	76.63860107586771	135.2321405912801	17.25490517462362	49.73991023969816		1409.637712550671		159.8409574696044
Glu-3-b_4	78.00522632591458			262.8306377528687		455.3882992012147	296.7834401092672	50.13747826369661	132.7277509921794	42.5102633416849	1415.410246083507				570.0445809522868
Glu-3-b_5	1124.803726401827			549.6357078876705			821.9459088030475	836.58715207809	910.4520176009509	44.2545994243805					
Glu-3-b_6								164.0424363894047		468.3841308157026					
Glu-3-b_7								854.5465334033922							
Glu-4_1	135.9330758906494	93.37089469161663	142.7099184029527	145.8260346401734	84.04558799681575		284.662716114317	28.15526748575193	106.9626937405407	108.8680664920148	84.1150573485014	10.46954526498157	125.0145056603695	23.7011575823571	60.68760416116666
Glu-4_10				103.4865035386573				114.673914782265	92.83370626225506	88.24618577037911					
Glu-4_11								179.2013960422225		25.15797796823282					
Glu-4_2	105.3974514672825	55.53557735024798	129.3346152138888	40.52195045884803	46.62113495644214		246.5067128389881	332.6973316225545	76.17292147637929	198.8449013745603	81.59772231687182	10.91705641448213	92.53220184552622	23.67410012254866	58.10416355200829
Glu-4_3	103.7524399958523	31.90703678155798	77.22652684413298	174.3533433938339	36.775303577128		216.1629835628655	93.18498091364225	106.3143961411293	125.3951279670285	69.37977804034516	19.92303217682533	61.93159681183926	18.14561653811934	56.69963867826301
Glu-4_4	129.3356551964385	22.1838652885791	52.15077182094485	146.8612189022341	23.03571943009404		189.712914345642	473.1083835347955	133.3115883991525	180.7698757686741	82.56905076879221	13.16916372646521	45.15657770094157	294.3689994955017	87.88188840254244
Glu-4_5	125.3748724973651	421.430692887197	521.3504809538387	153.4108936863854	353.3551253884628		272.4385377527934	305.5124334821156	124.5589385068446	263.111861601975	77.63378564145847	10.45811027919815	507.5009826596989	15.27154803727648	65.69324447245238
Glu-4_6	140.8353278655549	21.40093914705669	51.26259185994042	279.1672239464968	12.37177794119147		231.9715207095144	363.517667036471	139.4813126029383	220.2466099818031	93.62890793254321		49.69218186803887		84.11500287849896
Glu-4_7	74.83757369445392		35.35521429132383	211.6700496569437	23.96721542520392		153.1048912755359	546.6704390446558	124.8832426022348	179.9047657814361	59.90317350061156		37.83570826634034		48.61106922938833
Glu-4_8	75.59875036808869			117.8040838831256			150.7460369801868	365.7926195122511	116.7586004100778	137.5758721602037	61.31610032340676				44.88521202529869
Glu-4_9				31.79194438765221				237.2983912370771	10.53323640636751	74.42626154627837					
Gly_1	514.9424453715768	450.530236716681	646.2161565136894	863.4355611968474	316.8731246858569	357.2853247671799	1245.807242492031	1322.621938714789	662.813025969091	1021.644740003476	706.4765956602228	287.4706274784327	778.5985738635461	242.3272873875032	600.4747292911596
Glycogen_1	16.019708	195.114036	21.287462	28.541369	22.556406	169.0558412725676	24.400722	17.87795	15.221016	83.04842056797253	14.514158	94.99075136826907	23.577653	115.0814072841212	247.0003757599208
Glycogen_2						239.310054975141									
Ile_1	31.34700043419529	32.46990842679232	42.83689697006749	50.09425498578867	15.70347239477414	24.20017346575466	61.22919538838872	67.90439198201814	33.87754293421906	64.61063530891754	34.22781927505747	26.28427580386111	34.90290479148472	15.25393833589299	28.06228676104511
Ile_2	32.63035218614014	35.52474711635126	45.89231870313406	50.60106647678523	17.33099669192787	27.71236774298535	63.82814225867011	67.45914367444412	32.69300850825043	56.46324039627634	31.53072534631304	21.51461419686129	32.85923621337197	17.65568235884237	33.80919297147921
Inosine-1'_1	90.63010446471154	97.10484873342848	81.42065066808412	72.37115365909159	73.96326486758403	71.47923066479616	114.6950296386735	104.6726824938056	96.71658574385313	41.24035893141202	64.5821668264071	30.33780211214925	46.08648735852659	42.91445955783072	70.62351674479811
Inosine-1'_2	98.45505782499716	102.9382726961696	86.70619674402323	87.88822058299772	73.38958882552339	77.4508335789843	131.1681670051119	108.2394820463322	102.135289096929	52.86184555870423	57.11174526852695	30.81419555028549	49.32305411857696	59.01046197260339	73.50531910807737
Lac-2_1	248.8298451503543	118.5071597886632	82.16439170741604	219.3059158207115	70.31114502876522	195.577577748102	413.6857006048209	369.6574863554318	296.4824805295492	95.77633793703562	210.91347878111	82.17111101821253	141.4010507138243	92.56683334786808	153.4719390116849
Lac-2_2	878.4247807798158	503.5817387383908	226.4576244826551	675.8426358338027	228.1224944748707	350.3098760537557	1347.307781285657	999.3292131390011	1066.081719354108	279.1005068595192	545.3637531940725	356.4760779183099	389.713919780301	372.1648783582029	455.3991413936521
Lac-2_3	935.0704949307597	581.7986131441947	493.3473551021268	1211.262589402956	329.1024682937057	894.51733328526	1461.36479805693	1760.670118155896	1116.478366181905	689.1500188779347	616.1246798635874	385.2287003697096	666.4396225992298	411.1885739137214	552.258873836117
Lac-2_4	392.1483729695654	175.474533211256	179.039924761189	409.212246767192	120.957916816248	350.0033239392214	695.0371192167584	727.4927993543498	365.7038265710502	384.5713628051011	311.4517317661839	129.514874467134	254.6327167949934	128.3023921751644	244.572887174973
Lac-3_1	1965.935851145872	989.7121739895124	846.1147722119559	1794.300051561777	677.5868429344704	70951.17941998893	3385.170630171102	2763.70956645424	2060.149546123508	1095.931816565428	1425.765370785141	639.7230521036912	1305.871906666596	784.6776710607284	1148.280430035202
Lac-3_2	1984.510301200682	1113.529059926402	917.9714322483319	2003.190518409054	695.3711291328809	7172.490362403605	3177.847027484123	3033.354943667434	2048.220241838253	1104.191077696402	1356.456325152219	659.41769165971	1295.374996420001	820.2556543204252	1121.471375932668
Lac-3_3						6640.364494322709									
Lac13C-A_1	253.9277263355478	473.2943342094843	731.497527817154	529.5590912613987	204.2341288492549	212.5474083199784	477.5990958911089	1025.731721794185	243.2773080178663	874.898193079396	274.9038627127354	153.2682190818907	617.7213839675918	231.5245574551796	331.8290188474999
Lac13C-A_2	48.96054343960419	1005.104659969048	1397.94235765463	70.43301124058871	496.9047781177216	451.0881277787741	83.23136140654331	2202.728243520717	49.31394450778296	1691.571886442356	50.17822596616808	324.6334528416386	1276.126097700032	528.8755201588248	54.60414977842216
Lac13C-A_3	590.5696941460161	396.9740001336577	637.937469467534	1273.152581628985	225.7179752395657	216.7654469578755	1212.728488732639	996.0757628274959	608.9651964661736	862.5931666496081	655.747499789633	146.8332749390244	659.2693603593135	249.5628447947105	785.950369185554
Lac13C-A_4	266.2974605867273	574.526195488621	709.3639191576027	594.860128834434	249.94000672085	198.5135580370022	485.6660636371623	1092.533965216375	321.767908356921	805.1344463132609	293.360344816299	190.8353641669142	679.3175954934945	270.8653739543174	375.8341480648301
Lac13C-A_5	311.046533093198	1005.615750066755	1312.209578819217	596.3820612980235	469.8302103003381	549.6613870364725	536.4529837830922	1977.893473484593	271.1538063766192	1775.101804406942	338.5511998205706	348.8814025763776	1422.984113611869	511.0940149685738	412.53833840675
Lac13C-A_6	572.151513111178	442.1023481583604	625.269764187158	1254.569302021095	197.6442867659972	198.6344910963751	1108.140448929897	139.5507452926797	628.8761116709773	791.1766562252647	648.7360993751491	138.2503853911523	550.7091848130937	237.8559813895406	854.5131116817698
Lac13C-A_7	49.47754082210832			95.63567052645016			106.8786462057044	907.0674921020869	55.92705734521446		64.30995704363035				54.08742165348865
Lac13C-A_8	227.8321318699537			464.0987977555686			349.7978797722666		217.2967904046728		228.8126724586055				315.6704111281724
Lac13C-B_1	189.7896909641499	405.7211514774049	680.2685960897587	508.0810514600898	214.4185062784796	152.9331548167504	441.8476716571684	892.0224588139912	233.5751699832745	717.4324180824133	241.204300166299	143.6902352452092	558.0844318561293	228.3845260607819	297.3540294891517
Lac13C-B_2	167.098859590556	1010.85063046856	1328.418287519015	74.73748368687747	514.30777968142	445.5175706177104	94.08870521565973	2205.386539868203	53.94183828052406	1691.515069951414	51.36384481052016	416.5830273521337	1316.215496667938	516.3188660967255	68.15421450124397
Lac13C-B_3	523.698623203795	438.0684947051445	637.4863601330462	1236.38530276121	207.2465666259667	226.7827978318661	1185.201200266955	900.0086007933614	600.5078276016823	787.6692612793921	680.1317449600236	116.0954640117378	591.9819949740198	233.5831834407579	749.8645671377045
Lac13C-B_4	259.9249390624718	510.9620184949477	682.0465583797795	592.3813173654836	263.825285538791	199.9513071886247	474.8841687343806	1193.395432494111	298.4358717583939	803.3663268749482	284.6108835096566	233.7299353999199	659.7425766828052	286.6492085377783	362.5680075909527
Lac13C-B_5	304.5675670867424	1049.391898297286	1255.799804402224	572.6115028146834	469.0826239271703	410.4574230416038	530.027359258479	1930.021164408269	272.5598426185807	1631.027171659649	313.2553438620102	368.3244919214128	1355.857394670307	498.9111334270025	404.167157607716
Lac13C-B_6	549.8764638321169	444.1549087470196	555.9853769438221	1261.573718083983	210.4912049891476	235.8466131889886	1088.682976420594	142.8702409962495	578.8890743182036	754.7680976235159	688.9785742380633	147.5546196600019	616.9535568122618	222.8944963481595	834.4576877462886
Lac13C-B_7	48.6698926953818			79.01445100821019			102.3512957171164	849.2617421272133	54.3154191926664		54.68527997676597				56.06808905693524
Lac13C-B_8	207.9841281753671			490.1889245294439			318.7125095187338		199.4550761602479		240.1994979751418				298.4644173970427
Me-His A_1	73.04270346190427	64.35947032604194	74.80918306381363	111.5081092580812	46.99905579981915	63.78325964697859	89.54054401425728	160.0733768553439	77.00830504583195	85.83240448712131	77.21756999017005	33.66643724187802	93.24484971810665	33.12761349170208	37.66500168408523
Me-His B_1	39.07331612644968	38.30336827371104	45.02654889556892	40.92159020421158	26.91914402640135	32.83238337520181	61.1809746630062	89.18025543361314	49.54598127916682	55.14071656360071	41.14620282161454	16.03045973021447	50.0711933130772	23.16158392713229	32.14666036432371
NAD+-A1'_1	43.19265637467866	28.87202701201015	23.84026480309728	52.00408586579355	14.38963634623488	27.74941585872283	81.80007572164304	49.88300231206304	43.61005990552469	13.21707856108686	26.70681458518398	3.286624875368151	39.62262665200202	14.40765089705126	20.52327534129216
NAD+-A1'_2	38.9588677926338	36.17460952677063	24.04291923421497	28.40338199128971	11.8666220876446	26.69011114837867	71.41646153044775	65.8538195792095	37.50741121995513	24.61451498703317	27.81280558108258	12.04561522783424	48.91269189854173	13.95872031760923	18.52681007184783
NAD+-A1'_3			14.92131301192617												
NAD+-N1' 13C-B_1					14.73177493124397									18.65065693844493	
NAD+-N1'_1	44.89674061326429	27.61391321769724	31.16189545161876	60.98527626446985	18.73007726165214	34.02564682388829	107.3094776793697	86.85646582708472	42.82713800353434		27.92475372962788	4.952366	33.39254809536909	15.08834650006431	22.43564861551382
NAD+-N1'_2	43.86526933845616	35.9027428623008		47.72421792033066	17.46697181530293	20.86052081951411	101.6765200864335	60.40314088327119	35.09285655782721		31.49329055112903	3.534881	46.10795024222293	15.84044906628997	16.0381273978395
NAD-N2_1	148.6720315433985	105.5069104872918	106.3042048976221	194.4518820438391	66.80074445903651	112.2937867613705	250.3890227391598	275.3806521894579	141.5238288690709	178.3334473165829	129.08206666697	47.87860608668644	174.090058944608	62.25724667735476	67.28478512951452
NAD-N6_1	81.0660050019758	56.97301599035458	51.4204566502182	106.5349559577464	9.078808004671851	47.09901450918579	134.4124138944033	143.4125056762471	56.43598040995122	59.51797782024411	56.29440960250945	16.92825160749057	79.68495639212574	17.51754286530107	28.06546262500543
NAD-N6_2	71.81006626148502	49.86662628507804	51.95476273708699	109.6406544265843	15.79033239909497	40.96223579727307	125.7519974877512	115.1117223727189	73.033562499711	79.83184862444425	46.94592145363311	16.986405952587	97.23293991480627	25.41233055540648	38.49734088450074
NAD-N6_3					24.3226576139228										
NADP-N2_1	5.968232448800997	3.67643407792798	6.786215217188761	15.87110167886568	4.766921796197524	3.101176856162626	22.9802258056901	17.3235316855011	12.9725633052188	21.77565925802372	10.15840124903286	4.052158413886956	17.7828596166133	1.003261962998515	3.089255
Nicotin-2_1	25.092804	20.1831	25.089137	15.001141	47.272286	4.133522	24.298944	50.294354	11.757285	28.951795	10.87993	13.356239	10.418567	17.847505	20.867102
Nicotin-2_2	14.514463	10.155746	26.218561	23.459708		6.973114	24.198559	47.717915	19.374208	20.017715	16.848087	9.172334	12.967406	10.661424	28.48818
Nicotin-5_1	6.559854	8.110237067366986	14.76309775570363	6.186129062389668	22.312085	13.358342	14.0764999223928	30.14478313559581	9.782765738012912	20.96215371055455	3.95193321799541	1.726713929880438	2.178167449770978	18.19387482572611	22.25953034856689
Nicotin-5_2	8.601861	9.754717581153574	14.66948304697247	18.12120594028252	15.57544	20.003451	34.80296551026862	30.4635659545772	15.89360031363981	11.21095898877044	1.969279340061405	0.9165996998580697	1.245279624012669	20.82325355369044	20.94133539851495
Nicotin-5_3	8.150329	6.01654281550739	15.40121630751859	12.92920190245529	14.508151	5.952541	34.80296551026862	38.24431674407538	10.64143906429585	27.3787741327111	5.686620129462232	1.855392719231924	1.780837855150399	5.72353341323247	12.35295485129857
Nicotin-5_4	9.421364	5.615830434436395	11.64574365854604	7.702175771641498	23.852524	4.90707	28.15996699069037	33.55483470249334	10.6874918442649	13.622561668033	2.551439527600973	2.204112103720202	1.729243165162452	8.625896225498185	24.21562157831398
Nicotin-6_1	21.4483192328867	21.62579815453553	22.74782678220122	27.36313772964251	12.66622235317772	2.217737559774028	27.38830163796024	60.2379089775596	18.10181629099947	23.01161738007803	18.27965796595461	10.9240335270731	15.70062082247068	9.20452545491806	23.37981145105375
Nicotin-6_2	29.26850111579607	16.89907663929716	27.42489658536285	26.84663627987453	17.66377470544168	3.146679620183086	33.1583243238499	45.91774665645161	17.30705037106021	25.60392004330222	12.95560731088479	8.17546242550833	8.902558898053655	18.66530055718637	26.27697049989986
Phe-2,6_1	7.14912982734279	8.24700636192684	11.61177229323864	21.81555435043233		20.83141928606717	14.53147818593672	20.21957008299381		11.08042880074023					10.1594648336545
Phe-2,6_2	7.14912982734279	8.24700636192684	11.49240157222847	21.81555435043233		17.92918554064304	14.53147818593672	19.78218747786597		11.08042880074023					10.1594648336545
Phe-3,5_1	14.95618076043977	14.13463079328087	23.90421992646215	37.33894792732774	25.140595	18.08047162137257	38.86813061893561	51.95004740579104	11.75336695687811	32.02477469092869	12.35175065820356	14.02657498697842	25.7165714900652	7.159622185485288	22.14636798994779
Phe-3,5_2	23.73465839995	23.1809198656104	39.29217414221051	38.56046903164783	15.08716705470443	21.58251723673285	45.60480491365418	58.45358021380797	23.52407455248126	40.31533633341544	17.62597483169117	10.87049003147249	33.46815125359925	11.66039717342811	24.26085422952901
Phe-3,5_3	16.107804	8.19805965017118	13.13923400776691	14.2960579512753	11.3778325	16.265596	17.43918508869245	22.88220129536245	14.90295473028131	22.52316432890231	14.24958171857941	2.640102553049336	8.774178635965661	8.021801978857185	10.49591512525985
Succinate-2,3_1	250.6286617708517	125.0176553822518	95.54954610426151	256.1390261590196	60.9443739520444	165.3858119530443	376.3089999813298	358.7417125875446	221.7297812179041	131.4073962940491	217.2537762254404	77.0966270341338	168.9590251055216	81.32374098021054	142.506862089382
Tau-1 (SCH2)_1	1802.521002240408	1639.8630863029	1763.697245328748	2390.038847623283	1098.602766690062	1608.692535317336	3274.550219182873	3724.597698976847	1701.827433547094	2623.969870013748	1668.816137067411	731.3989195659796	1881.373095271551	1049.437183654831	1571.733699484698
Tau-1 (SCH2)_2	4076.850727341131	4105.920497931375	3974.343887080981	5682.924937271896	2531.487092250055	2837.656375263956	6967.231890740072	8967.358579741602	3908.109001586836	6240.182516103118	3692.416845026718	1746.499782414633	4511.574577983952	2441.96794612528	3795.94882761573
Tau-1 (SCH2)_3	3289.496709053486	3160.123187847901	2985.04217267079	3944.437272122424	1872.954016637386	2258.381202130479	4591.4330499864	6605.135596339068	2994.268100689646	4252.956429961365	2804.46180927722	1392.555067633225	3585.620444679515	1965.394555969556	2579.535754353955
Tau-2 (NCH2)_1	2229.644144087435	2175.217381433476	2315.303154662903	3313.631599483291	1400.265058844792	1584.711837222727	3915.497146394899	4826.248758237599	2005.744641948839	3383.910488679914	2006.444672740431	958.1827365609396	2381.097386204779	1365.923020895634	2006.05630865216
Tau-2 (NCH2)_2	3797.609293425971	3842.956210772511	4071.765471773394	5603.552841177087	2470.098759926263	2811.31422797685	6486.85487092051	8694.904666086848	3514.174636460392	6139.837010722075	3609.373569640602	1758.126756865023	4310.994259232474	2352.647159369142	3561.516420124074
Tau-2 (NCH2)_3	1677.997997866489	1690.952712495027	1777.797875587774	2367.826139036075	1098.096920888507	1197.34487785121	2722.845977634182	3804.707667697272	1593.356981902301	2681.262056081606	1671.153876755855	728.3768908247886	1896.194067304006	1024.128786866564	1522.800470368421
Tris_1	1739.334329240564	890.2384080996502	1483.467326227844	1716.764919960248	1756.616698857282		1932.616838208431	1710.094917729883	1742.802071761597	1768.954789718636	1682.706996845077	1908.588420111923	1634.420087701184	1989.475506207143	1938.269679120946
Trp-4_1	31.81586761709501	31.48268284743603	22.52838876096572	45.87467215967814	17.01524705863601	16.406118	69.1073728010343	48.34667544678193	32.87094745480418	19.787125248491	30.43245927459222	3.346700431149042	39.84244978116965	14.81899745526625	30.41687748893579
Trp-4_2	30.72196751163931	44.3828668827272	16.9767357454423	45.937861814306	19.99420897583472	22.566858	70.09905317083071	58.22720183141327	36.51553039734632	29.43926125376897	29.79576216000696	6.268521230855636	43.54024142863265	16.99828476292265	19.73057174006152
Tyr-2,6_1	33.79482696901886	41.44728571624985	32.66508231019719	58.53779707820065	17.96931145472113	20.81735590539223	61.18744168357962	38.39116532621779	22.47315736436692	27.55390603394493	25.50498911139064	18.48400278041685	42.9852882568567	13.67139754406793	29.17055306585495
Tyr-2,6_2	36.85636587106467	42.68884528736038	30.46802902449696	58.05905372140088	19.69964770844285	21.76182197756682	60.49085505185862	37.63296232175829	25.40881921251674	29.63248317262635	24.06998595323975	17.33403620362344	50.7544532125001	15.80843869761987	34.27951124354929
Tyr-3,5_1	20.41660446199473	32.41238485064769	30.08377819682828	47.72280135266018	9.950128630235707	283.7523094284954	53.7933400052539	26.44155609349957	16.87946179242572	26.61580251258802	19.28232521909515	11.61376097179891	34.70677434784079	10.8973405000536	28.05438153271243
Tyr-3,5_2	28.60845527875209	35.16357578099375	25.37714067486696	51.82599850270961	12.46879385554449	354.2005937075812	54.59212452898751	28.80601423030836	21.05386702307263	21.33036055744661	20.49697441098074	15.83381409781794	42.23689154111743	10.24379023122027	29.02182523524627
UXP-1'_1	79.60646398680385	88.46057989368776	96.18629585405344	142.2155774555692	37.55145253547094	64.45549375236482	202.588427760126	172.2934028136729	75.67984143171886	131.839415	68.96451132411462	14.84557846465023	95.42409412966317	31.75485344618752	77.30351618736067
UXP-1'_2	95.95889469727871	109.9546034910125	170.3104273879945	149.3623403547624	112.9025741883504	77.89100325726383	196.2818229074537	373.2806078509486	84.71146808706054	154.866319	166.345561785686	25.30546709959032	91.80843725616731	25.3242895170611	117.8748205892988
UXP-5_1	93.00168069486737	65.63363933897458	114.2985026986848	71.34324268299608	65.24323169443095	70.5611603156168	196.8804943312149	76.4485312438357	77.5805225760425	34.812725	60.18676750571971	14.74407841506932	63.57968231893891	31.53110565890587	55.39906282207898
UXP-5_2	10.9014428718489	10.48655201130297	16.00665873459049	44.47971459548136	14.76537920217091	20.69353680085043	23.49832966806984	30.2805896605359	13.28810277565942	41.31382644659392	21.06707457790533	5.653424790987446	16.35153105972917	6.062083228843925	12.57329694486708
UXP-5_3	39.63124433095275	29.86467272962684		19.18122620052201			74.0775201284111	33.72610481241179	27.05933282537232	31.158219	28.23498115147701	10.96715063128956	18.55240490351371	15.78683169301536	25.11439913718133
UXP-5_4				44.14800285774972						13.790173					
UXP-5_5										13.77594020575492					
UXP-5_6										25.867297					
UXP-6_1	17.991077	19.82837	7.945564	23.748863	16.367467	10.36032	28.048895	22.600979	24.600491	4.969772	18.938956	6.172454	17.88488	12.105585	14.239344
UXP-6_2	18.009229	22.234541	11.427005	12.78715	18.31483	15.364948	30.139174	15.888265	24.273998	5.637296	21.259169	4.223456	16.090072	9.341376	13.916986
Val-B_1	79.85050172654006	85.41104058154447	90.22978091537787	109.4070296519335	49.00223969745059	57.28780586639598	124.1514567652858	146.5900273394591	56.31743510534428	134.1442531763336	58.16573055178845	43.42390792381402	90.7864542739754	44.338646623648	87.53683086471518
Val-B_2	71.62114394073892	89.0353119934146	95.09763791497261	114.8855607594172	40.17230855800363	60.30491364221904	115.6246510490392	126.9803927722857	56.26069226644361	138.1209907433883	57.05051507232155	39.48425552311821	88.96831374657371	43.17843993574223	58.40309859334634
aGlc_1	126.3212298257325	81.80949829345792	73.85005714285714	717.4275929915513	264.3840957874482	118.9951589782082	205.4528116255317	28.07963093726704	71.92515894405163	93.76166466344586	51.09584571428572	49.33143377005514	11.780972	49.94946285714286	156.2521135286914
aGlc_2	112.3988321305055	87.17394316150346	64.58066806844182	759.829793536714		193.6617168246108	220.7630105340251	21.71936579361261	86.03112244104268	60.7113065355823	49.13062	31.05055142857143	7.749536	50.49120364637763	142.4980898104684
bGlc 13C-A_1	1516.787660285503	1307.534343792078	1239.158505461749	1040.725934963924	515.4447068795444	163.614655936823	2017.921689323278	2223.10089036804	938.6616306244352	1120.902607304028	1301.50991899277	496.0940928340811	1559.809573250396	774.1840558221692	1668.35767957013
bGlc 13C-A_2	484.0097848879469	690.1329365799131	586.7420442444351	1087.118566307623	158.3222880349709	465.7112199335039	1518.923425761336	2377.524197916682	384.4923568593396	803.24988140357	385.4931745817238	146.3714916294767	530.2643171075229	195.636551682044	729.0958978795168
bGlc 13C-A_3						242.1762404111841									
bGlc_1	156.1052203517234	66.21828490526484	78.8966055718557	774.4282746858944	34.25915999999999	140.8230714010925	340.0747369184257	652.1584826015563	117.2129012155481	802.2828256653437	55.13186628035478	28.07591692307692	178.6257522972458	46.24677424268183	168.5379588975786
bGlc_2	117.7359681766317	83.82003062502271	36.31719231530367	715.8308895830819	38.15290154763438	153.0419481312586	211.188436461772	28.65952769230769	71.91230229566459	55.04589583245421	34.99291818732343	22.87919230769231	32.0986723076923	73.05841252100338	142.1646028046576
m-Ins-1,3_1	662.910936177221	533.8542006218132	433.1356175268807	505.163348032717	282.8937576825499	389.5541738247006	768.6242535128825	932.3905545356722	597.0362255197788	378.4060874128295	428.0252139965439	237.6562737252727	552.4715764421211	365.3953207509775	251.7069555837163
m-Ins-1,3_2	663.7346127079921	660.683665211034	453.4104567275103	638.7877788504045	274.2785669219169	414.3705872122034	758.702377326189	1074.889653531934	576.7090393011483	429.9317839402045	528.8278214801977	286.1632675698879	680.0779382603049	368.7615174214919	314.9698409168771
m-Ins-1,3_3	963.2979636373223	811.664236274079	634.7791205534072	889.5041714524443	395.7323801964818	504.4484591707058	1065.506600552693	1419.931589779881	898.0052047206376	629.7178302694145	671.6852348206625	370.4775342728524	826.3560168801508	532.3639434942609	415.9418270609285
m-Ins-1,3_4	940.8418340814216	911.104973972082	546.9993390550082	818.5446830956316	375.020099534269	570.6149254280093	960.8627872021718	1428.545318746359	751.1870935017561	538.7391098145768	659.9530931162159	276.3659674137356	955.1300976776055	496.3437393496199	413.3518817184436
m-Ins-2?_1	777.2463253468426	656.9860626974449	506.2688358982172	545.4360189713262	313.6807559678045	538.5142449973188	782.5325352251733	1081.273529212898	623.2371905671628	413.7614020396758	525.501347845943	293.0269194411643	615.3195671527811	410.8317420674576	276.1759048434986
m-Ins-2?_2	1519.338080618538	1361.901836965824	958.654307062084	1140.061986702038	632.8360317222777	3675.720246910038	1760.838083221152	2298.627240481452	1353.756997592786	900.8363099006227	1008.151821067731	599.3044537622119	1410.288631658679	881.7077688521742	571.7553990350791
m-Ins-2?_3	752.381591995677	784.7117051773688	522.9653488429412	603.1553665435952	307.4626723533142		915.9818706579155	1373.357885832926	667.155215613365	495.2999183458458	639.524123160441	437.8818927352154	755.9993106000638	425.7857372463226	352.3563690033007
pyruvate-3_1	25.63423234660587	8.336339004587003	15.24549261790096	21.74385098134263	6.616036359602471		31.32610330418672	28.54550035029408	19.43356949712076	20.11597821303588	16.36836876784804	13.57168033333333	16.12718610074635	7.285989915946167	15.18202377820215
NMR_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	base_inchi	isotopic_inchi	peak_description	peak_pattern	proton_count	representative_inchi	transient_peak	transient_peak%type
AXP-1' 13C-A_1	['InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/p-2/t4-,6-,7-,10-/m1/s1', ' InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/p-3/t4-,6-,7-,10-/m1/s1', ' InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/p-4/t4-,6-,7-,10-/m1/s1']	['InChI=1/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/p-2/t4-,6-,7-,10-/m1/s1/i7H,10+1H/fC10H12N5O7P/h11H2/q-2', ' InChI=1/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/p-3/t4-,6-,7-,10-/m1/s1/i7H,10+1H/fC10H12N5O10P2/h11H2/q-3', ' InChI=1/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/p-4/t4-,6-,7-,10-/m1/s1/i7H,10+1H/fC10H12N5O13P3/h11H2/q-4']	['[1H31:C10]HResonance + [1H31:13C10]J1CH + [1H31:1H30]J3HH', ' [1H35:13C10]HResonance + [1H35:13C10]J1CH + [1H35:1H34]J3HH', ' [1H39:13C10]HResonance + [1H39:13C10]J1CH + [1H39:1H38]J3HH']	multiplets	0.5	['InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/p-2/t4-,6-,7-,10-/m1/s1', ' InChI=1/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/p-3/t4-,6-,7-,10-/m1/s1/fC10H12N5O10P2/h11H2/q-3', ' InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/p-4/t4-,6-,7-,10-/m1/s1']	1	integer
AXP-1' 13C-A_2	['InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/p-2/t4-,6-,7-,10-/m1/s1', ' InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/p-3/t4-,6-,7-,10-/m1/s1', ' InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/p-4/t4-,6-,7-,10-/m1/s1']	['InChI=1/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/p-2/t4-,6-,7-,10-/m1/s1/i7H,10+1H/fC10H12N5O7P/h11H2/q-2', ' InChI=1/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/p-3/t4-,6-,7-,10-/m1/s1/i7H,10+1H/fC10H12N5O10P2/h11H2/q-3', ' InChI=1/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/p-4/t4-,6-,7-,10-/m1/s1/i7H,10+1H/fC10H12N5O13P3/h11H2/q-4']	['[1H31:C10]HResonance + [1H31:13C10]J1CH + [1H31:1H30]J3HH', ' [1H35:13C10]HResonance + [1H35:13C10]J1CH + [1H35:1H34]J3HH', ' [1H39:13C10]HResonance + [1H39:13C10]J1CH + [1H39:1H38]J3HH']	multiplets	0.5	['InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/p-2/t4-,6-,7-,10-/m1/s1', ' InChI=1/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/p-3/t4-,6-,7-,10-/m1/s1/fC10H12N5O10P2/h11H2/q-3', ' InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/p-4/t4-,6-,7-,10-/m1/s1']	2	integer
AXP-1' 13C-B_1	['InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/p-2/t4-,6-,7-,10-/m1/s1', ' InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/p-3/t4-,6-,7-,10-/m1/s1', ' InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/p-4/t4-,6-,7-,10-/m1/s1']	['InChI=1/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/p-2/t4-,6-,7-,10-/m1/s1/i7H,10+1H/fC10H12N5O7P/h11H2/q-2', ' InChI=1/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/p-3/t4-,6-,7-,10-/m1/s1/i7H,10+1H/fC10H12N5O10P2/h11H2/q-3', ' InChI=1/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/p-4/t4-,6-,7-,10-/m1/s1/i7H,10+1H/fC10H12N5O13P3/h11H2/q-4']	['[1H31:C10]HResonance + [1H31:13C10]J1CH + [1H31:1H30]J3HH', ' [1H35:13C10]HResonance + [1H35:13C10]J1CH + [1H35:1H34]J3HH', ' [1H39:13C10]HResonance + [1H39:13C10]J1CH + [1H39:1H38]J3HH']	multiplets	0.5	['InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/p-2/t4-,6-,7-,10-/m1/s1', ' InChI=1/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/p-3/t4-,6-,7-,10-/m1/s1/fC10H12N5O10P2/h11H2/q-3', ' InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/p-4/t4-,6-,7-,10-/m1/s1']	1	integer
AXP-1'_1	['InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/p-2/t4-,6-,7-,10-/m1/s1', ' InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/p-3/t4-,6-,7-,10-/m1/s1', ' InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/p-4/t4-,6-,7-,10-/m1/s1']	['InChI=1/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/p-2/t4-,6-,7-,10-/m1/s1/i7H,10H/fC10H12N5O7P/h11H2/q-2', ' InChI=1/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/p-3/t4-,6-,7-,10-/m1/s1/i7H,10H/fC10H12N5O10P2/h11H2/q-3', ' InChI=1/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/p-4/t4-,6-,7-,10-/m1/s1/i7H,10H/fC10H12N5O13P3/h11H2/q-4']	['[1H31:C10]HResonance + [1H31:1H30]J3HH', ' [1H35:C10]HResonance + [1H35:1H34]J3HH', ' [1H39:C10]HResonance + [1H39:1H38]J3HH']	doublets	1	['InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/p-2/t4-,6-,7-,10-/m1/s1', ' InChI=1/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/p-3/t4-,6-,7-,10-/m1/s1/fC10H12N5O10P2/h11H2/q-3', ' InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/p-4/t4-,6-,7-,10-/m1/s1']	1	integer
AXP-1'_2	['InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/p-2/t4-,6-,7-,10-/m1/s1', ' InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/p-3/t4-,6-,7-,10-/m1/s1', ' InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/p-4/t4-,6-,7-,10-/m1/s1']	['InChI=1/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/p-2/t4-,6-,7-,10-/m1/s1/i7H,10H/fC10H12N5O7P/h11H2/q-2', ' InChI=1/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/p-3/t4-,6-,7-,10-/m1/s1/i7H,10H/fC10H12N5O10P2/h11H2/q-3', ' InChI=1/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/p-4/t4-,6-,7-,10-/m1/s1/i7H,10H/fC10H12N5O13P3/h11H2/q-4']	['[1H31:C10]HResonance + [1H31:1H30]J3HH', ' [1H35:C10]HResonance + [1H35:1H34]J3HH', ' [1H39:C10]HResonance + [1H39:1H38]J3HH']	doublets	1	['InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/p-2/t4-,6-,7-,10-/m1/s1', ' InChI=1/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/p-3/t4-,6-,7-,10-/m1/s1/fC10H12N5O10P2/h11H2/q-3', ' InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/p-4/t4-,6-,7-,10-/m1/s1']	2	integer
AXP-1'_3	['InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/p-2/t4-,6-,7-,10-/m1/s1', ' InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/p-3/t4-,6-,7-,10-/m1/s1', ' InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/p-4/t4-,6-,7-,10-/m1/s1']	['InChI=1/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/p-2/t4-,6-,7-,10-/m1/s1/i7H,10H/fC10H12N5O7P/h11H2/q-2', ' InChI=1/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/p-3/t4-,6-,7-,10-/m1/s1/i7H,10H/fC10H12N5O10P2/h11H2/q-3', ' InChI=1/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/p-4/t4-,6-,7-,10-/m1/s1/i7H,10H/fC10H12N5O13P3/h11H2/q-4']	['[1H31:C10]HResonance + [1H31:1H30]J3HH', ' [1H35:C10]HResonance + [1H35:1H34]J3HH', ' [1H39:C10]HResonance + [1H39:1H38]J3HH']	doublets	1	['InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/p-2/t4-,6-,7-,10-/m1/s1', ' InChI=1/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/p-3/t4-,6-,7-,10-/m1/s1/fC10H12N5O10P2/h11H2/q-3', ' InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/p-4/t4-,6-,7-,10-/m1/s1']	3	integer
AXP-1'_4	['InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/p-2/t4-,6-,7-,10-/m1/s1', ' InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/p-3/t4-,6-,7-,10-/m1/s1', ' InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/p-4/t4-,6-,7-,10-/m1/s1']	['InChI=1/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/p-2/t4-,6-,7-,10-/m1/s1/i7H,10H/fC10H12N5O7P/h11H2/q-2', ' InChI=1/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/p-3/t4-,6-,7-,10-/m1/s1/i7H,10H/fC10H12N5O10P2/h11H2/q-3', ' InChI=1/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/p-4/t4-,6-,7-,10-/m1/s1/i7H,10H/fC10H12N5O13P3/h11H2/q-4']	['[1H31:C10]HResonance + [1H31:1H30]J3HH', ' [1H35:C10]HResonance + [1H35:1H34]J3HH', ' [1H39:C10]HResonance + [1H39:1H38]J3HH']	doublets	1	['InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/p-2/t4-,6-,7-,10-/m1/s1', ' InChI=1/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/p-3/t4-,6-,7-,10-/m1/s1/fC10H12N5O10P2/h11H2/q-3', ' InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/p-4/t4-,6-,7-,10-/m1/s1']	4	integer
AXP-1'_5	['InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/p-2/t4-,6-,7-,10-/m1/s1', ' InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/p-3/t4-,6-,7-,10-/m1/s1', ' InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/p-4/t4-,6-,7-,10-/m1/s1']	['InChI=1/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/p-2/t4-,6-,7-,10-/m1/s1/i7H,10H/fC10H12N5O7P/h11H2/q-2', ' InChI=1/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/p-3/t4-,6-,7-,10-/m1/s1/i7H,10H/fC10H12N5O10P2/h11H2/q-3', ' InChI=1/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/p-4/t4-,6-,7-,10-/m1/s1/i7H,10H/fC10H12N5O13P3/h11H2/q-4']	['[1H31:C10]HResonance + [1H31:1H30]J3HH', ' [1H35:C10]HResonance + [1H35:1H34]J3HH', ' [1H39:C10]HResonance + [1H39:1H38]J3HH']	doublets	1	['InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/p-2/t4-,6-,7-,10-/m1/s1', ' InChI=1/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/p-3/t4-,6-,7-,10-/m1/s1/fC10H12N5O10P2/h11H2/q-3', ' InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/p-4/t4-,6-,7-,10-/m1/s1']	5	integer
AXP-2_1	['InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/p-2/t4-,6-,7-,10-/m1/s1', ' InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/p-3/t4-,6-,7-,10-/m1/s1', ' InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/p-4/t4-,6-,7-,10-/m1/s1']	InChI=1/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/p-2/t4-,6-,7-,10-/m1/s1/i2H/fC10H12N5O7P/h11H2/q-2	[1H26:C2]HResonance	singlet	1	['InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/p-2/t4-,6-,7-,10-/m1/s1', ' InChI=1/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/p-3/t4-,6-,7-,10-/m1/s1/fC10H12N5O10P2/h11H2/q-3', ' InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/p-4/t4-,6-,7-,10-/m1/s1']	1	integer
AXP-2_2	['InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/p-2/t4-,6-,7-,10-/m1/s1', ' InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/p-3/t4-,6-,7-,10-/m1/s1', ' InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/p-4/t4-,6-,7-,10-/m1/s1']	InChI=1/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/p-2/t4-,6-,7-,10-/m1/s1/i2H/fC10H12N5O7P/h11H2/q-2	[1H26:C2]HResonance	singlet	1	['InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/p-2/t4-,6-,7-,10-/m1/s1', ' InChI=1/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/p-3/t4-,6-,7-,10-/m1/s1/fC10H12N5O10P2/h11H2/q-3', ' InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/p-4/t4-,6-,7-,10-/m1/s1']	2	integer
AXP-8_1	['InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/p-2/t4-,6-,7-,10-/m1/s1', ' InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/p-3/t4-,6-,7-,10-/m1/s1', ' InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/p-4/t4-,6-,7-,10-/m1/s1']	['InChI=1/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/p-2/t4-,6-,7-,10-/m1/s1/i3H/fC10H12N5O7P/h11H2/q-2', ' InChI=1/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/p-3/t4-,6-,7-,10-/m1/s1/i3H/fC10H12N5O10P2/h11H2/q-3', ' InChI=1/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/p-4/t4-,6-,7-,10-/m1/s1/i3H/fC10H12N5O13P3/h11H2/q-4']	['[1H27:C3]Hresonance', ' [1H30:C2]Hresonance', ' [1H35:C3]Hresonance']	singlet	1	['InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/p-2/t4-,6-,7-,10-/m1/s1', ' InChI=1/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/p-3/t4-,6-,7-,10-/m1/s1/fC10H12N5O10P2/h11H2/q-3', ' InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/p-4/t4-,6-,7-,10-/m1/s1']	1	integer
AXP-8_2	['InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/p-2/t4-,6-,7-,10-/m1/s1', ' InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/p-3/t4-,6-,7-,10-/m1/s1', ' InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/p-4/t4-,6-,7-,10-/m1/s1']	['InChI=1/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/p-2/t4-,6-,7-,10-/m1/s1/i3H/fC10H12N5O7P/h11H2/q-2', ' InChI=1/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/p-3/t4-,6-,7-,10-/m1/s1/i3H/fC10H12N5O10P2/h11H2/q-3', ' InChI=1/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/p-4/t4-,6-,7-,10-/m1/s1/i3H/fC10H12N5O13P3/h11H2/q-4']	['[1H27:C3]Hresonance', ' [1H30:C2]Hresonance', ' [1H35:C3]Hresonance']	singlet	1	['InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/p-2/t4-,6-,7-,10-/m1/s1', ' InChI=1/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/p-3/t4-,6-,7-,10-/m1/s1/fC10H12N5O10P2/h11H2/q-3', ' InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/p-4/t4-,6-,7-,10-/m1/s1']	2	integer
Ace-2_1	InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1	InChI=1/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1/i1H3/fC2H3O2/q-1	['[1H5', '1H6', '1H7:C1]HResonance']	singlet	3	InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1	1	integer
Ala-3_1	InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1	InChI=1/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1/i1H3,2H/f/h4H	['[1H7', '1H8', '1H9:C1]HResonance + [1H7', '1H8', '1H9:1H10]J3HH']	doublets	3	InChI=1/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1/f/h4H	1	integer
Ala-3_2	InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1	InChI=1/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1/i1H3,2H/f/h4H	['[1H7', '1H8', '1H9:C1]HResonance + [1H7', '1H8', '1H9:1H10]J3HH']	doublets	3	InChI=1/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1/f/h4H	2	integer
Ala13C-A_1	InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1	InChI=1/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1/i1+1H3,2H/f/h4H	['[1H7', '1H8', '1H9:C1]HResonance + [1H7', '1H8', '1H9:13C1]J1CH + [1H7', '1H8', '1H9:1H10]J3HH']	ddd	1.5	InChI=1/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1/f/h4H	1	integer
Ala13C-A_2	InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1	InChI=1/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1/i1+1H3,2H/f/h4H	['[1H7', '1H8', '1H9:C1]HResonance + [1H7', '1H8', '1H9:13C1]J1CH + [1H7', '1H8', '1H9:1H10]J3HH']	ddd	1.5	InChI=1/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1/f/h4H	2	integer
Ala13C-A_3	InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1	InChI=1/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1/i1+1H3,2H/f/h4H	['[1H7', '1H8', '1H9:C1]HResonance + [1H7', '1H8', '1H9:13C1]J1CH + [1H7', '1H8', '1H9:1H10]J3HH']	ddd	1.5	InChI=1/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1/f/h4H	3	integer
Ala13C-A_4	InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1	InChI=1/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1/i1+1H3,2H/f/h4H	['[1H7', '1H8', '1H9:C1]HResonance + [1H7', '1H8', '1H9:13C1]J1CH + [1H7', '1H8', '1H9:1H10]J3HH']	ddd	1.5	InChI=1/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1/f/h4H	4	integer
Ala13C-A_5	InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1	InChI=1/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1/i1+1H3,2H/f/h4H	['[1H7', '1H8', '1H9:C1]HResonance + [1H7', '1H8', '1H9:13C1]J1CH + [1H7', '1H8', '1H9:1H10]J3HH']	ddd	1.5	InChI=1/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1/f/h4H	5	integer
Ala13C-A_6	InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1	InChI=1/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1/i1+1H3,2H/f/h4H	['[1H7', '1H8', '1H9:C1]HResonance + [1H7', '1H8', '1H9:13C1]J1CH + [1H7', '1H8', '1H9:1H10]J3HH']	ddd	1.5	InChI=1/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1/f/h4H	6	integer
Ala13C-B_1	InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1	InChI=1/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1/i1+1H3,2H/f/h4H	['[1H7', '1H8', '1H9:C1]HResonance + [1H7', '1H8', '1H9:13C1]J1CH + [1H7', '1H8', '1H9:1H10]J3HH']	ddd	1.5	InChI=1/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1/f/h4H	1	integer
Ala13C-B_2	InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1	InChI=1/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1/i1+1H3,2H/f/h4H	['[1H7', '1H8', '1H9:C1]HResonance + [1H7', '1H8', '1H9:13C1]J1CH + [1H7', '1H8', '1H9:1H10]J3HH']	ddd	1.5	InChI=1/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1/f/h4H	2	integer
Ala13C-B_3	InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1	InChI=1/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1/i1+1H3,2H/f/h4H	['[1H7', '1H8', '1H9:C1]HResonance + [1H7', '1H8', '1H9:13C1]J1CH + [1H7', '1H8', '1H9:1H10]J3HH']	ddd	1.5	InChI=1/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1/f/h4H	3	integer
Ala13C-B_4	InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1	InChI=1/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1/i1+1H3,2H/f/h4H	['[1H7', '1H8', '1H9:C1]HResonance + [1H7', '1H8', '1H9:13C1]J1CH + [1H7', '1H8', '1H9:1H10]J3HH']	ddd	1.5	InChI=1/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1/f/h4H	4	integer
Ala13C-B_5	InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1	InChI=1/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1/i1+1H3,2H/f/h4H	['[1H7', '1H8', '1H9:C1]HResonance + [1H7', '1H8', '1H9:13C1]J1CH + [1H7', '1H8', '1H9:1H10]J3HH']	ddd	1.5	InChI=1/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1/f/h4H	5	integer
Ala13C-B_6	InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1	InChI=1/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1/i1+1H3,2H/f/h4H	['[1H7', '1H8', '1H9:C1]HResonance + [1H7', '1H8', '1H9:13C1]J1CH + [1H7', '1H8', '1H9:1H10]J3HH']	ddd	1.5	InChI=1/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1/f/h4H	6	integer
Asp-3b_1	InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/p-1/t2-/m0/s1	InChI=1/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/p-1/t2-/m0/s1/i1H2,2H/fC4H6NO4/h5H/q-1	['1H10', '1H11:C1]HResonance + [1H10:1H11]J2HH + [1H10', '1H11:1H12]J3HH']	dd	1	InChI=1/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/p-1/t2-/m0/s1/fC4H6NO4/h5H/q-1	1	integer
Asp-3b_2	InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/p-1/t2-/m0/s1	InChI=1/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/p-1/t2-/m0/s1/i1H2,2H/fC4H6NO4/h5H/q-1	['1H10', '1H11:C1]HResonance + [1H10:1H11]J2HH + [1H10', '1H11:1H12]J3HH']	dd	1	InChI=1/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/p-1/t2-/m0/s1/fC4H6NO4/h5H/q-1	2	integer
Asp-3b_3	InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/p-1/t2-/m0/s1	InChI=1/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/p-1/t2-/m0/s1/i1H2,2H/fC4H6NO4/h5H/q-1	['1H10', '1H11:C1]HResonance + [1H10:1H11]J2HH + [1H10', '1H11:1H12]J3HH']	dd	1	InChI=1/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/p-1/t2-/m0/s1/fC4H6NO4/h5H/q-1	3	integer
Asp-3b_4	InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/p-1/t2-/m0/s1	InChI=1/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/p-1/t2-/m0/s1/i1H2,2H/fC4H6NO4/h5H/q-1	['1H10', '1H11:C1]HResonance + [1H10:1H11]J2HH + [1H10', '1H11:1H12]J3HH']	dd	1	InChI=1/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/p-1/t2-/m0/s1/fC4H6NO4/h5H/q-1	4	integer
CXP-6_1	['InChI=1S/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/p-2/t4-,6-,7-,8-/m1/s1', ' InChI=1S/C9H15N3O11P2/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H2,10,11,15)(H2,16,17,18)/p-3/t4-,6-,7-,8-/m1/s1', ' InChI=1S/C9H16N3O14P3/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H2,10,11,15)(H2,16,17,18)/p-4/t4-,6-,7-,8-/m1/s1']	['InChI=1/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/p-2/t4-,6-,7-,8-/m1/s1/i1H,2H/fC9H12N3O8P/h10H2/q-2', ' InChI=1/C9H15N3O11P2/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H2,10,11,15)(H2,16,17,18)/p-3/t4-,6-,7-,8-/m1/s1/i1H,2H/fC9H12N3O11P2/h10H2/q-3', ' InChI=1/C9H16N3O14P3/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H2,10,11,15)(H2,16,17,18)/p-4/t4-,6-,7-,8-/m1/s1/i1H,2H/fC9H12N3O14P3/h10H2/q-4']	['[1H23:C2]HResonance + [1H23:1H22]J3HH', ' [1H27:C2]HResonance + [1H27:1H26]J3HH', ' [1H31:C2]HResonance + [1H31:1H30]J3HH']	doublets	1	['InChI=1/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/p-2/t4-,6-,7-,8-/m1/s1/fC9H12N3O8P/h10H2/q-2', ' InChI=1/C9H15N3O11P2/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H2,10,11,15)(H2,16,17,18)/p-3/t4-,6-,7-,8-/m1/s1/fC9H12N3O11P2/h10H2/q-3', ' InChI=1/C9H16N3O14P3/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H2,10,11,15)(H2,16,17,18)/p-4/t4-,6-,7-,8-/m1/s1/fC9H12N3O14P3/h10H2/q-4']	1	integer
Creat-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
Cys-3-GSH_1	InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1	InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1/i4H2,6H/fC10H16N3O6S/h11-13H/q-1	['[1H27', '1H28:C4]HResonance + [1H27', '1H28:1H30]J3HH']	triplet	2	InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1/fC10H16N3O6S/h11-13H/q-1 	1	integer
Cys-3-GSH_2	InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1	InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1/i4H2,6H/fC10H16N3O6S/h11-13H/q-1	['[1H27', '1H28:C4]HResonance + [1H27', '1H28:1H30]J3HH']	triplet	2	InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1/fC10H16N3O6S/h11-13H/q-1 	2	integer
Cys-3-GSH_3	InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1	InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1/i4H2,6H/fC10H16N3O6S/h11-13H/q-1	['[1H27', '1H28:C4]HResonance + [1H27', '1H28:1H30]J3HH']	triplet	2	InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1/fC10H16N3O6S/h11-13H/q-1 	3	integer
Cys-3-GSH_4	InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1	InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1/i4H2,6H/fC10H16N3O6S/h11-13H/q-1	['[1H27', '1H28:C4]HResonance + [1H27', '1H28:1H30]J3HH']	triplet	2	InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1/fC10H16N3O6S/h11-13H/q-1 	4	integer
Cys-3-GSH_5	InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1	InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1/i4H2,6H/fC10H16N3O6S/h11-13H/q-1	['[1H27', '1H28:C4]HResonance + [1H27', '1H28:1H30]J3HH']	triplet	2	InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1/fC10H16N3O6S/h11-13H/q-1 	5	integer
Cys-3-GSH_6	InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1	InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1/i4H2,6H/fC10H16N3O6S/h11-13H/q-1	['[1H27', '1H28:C4]HResonance + [1H27', '1H28:1H30]J3HH']	triplet	2	InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1/fC10H16N3O6S/h11-13H/q-1 	6	integer
Cys-3-GSH_7	InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1	InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1/i4H2,6H/fC10H16N3O6S/h11-13H/q-1	['[1H27', '1H28:C4]HResonance + [1H27', '1H28:1H30]J3HH']	triplet	2	InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1/fC10H16N3O6S/h11-13H/q-1 	7	integer
Cys-3-GSH_8	InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1	InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1/i4H2,6H/fC10H16N3O6S/h11-13H/q-1	['[1H27', '1H28:C4]HResonance + [1H27', '1H28:1H30]J3HH']	triplet	2	InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1/fC10H16N3O6S/h11-13H/q-1 	8	integer
Cys-3-GSH_9	InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1	InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1/i4H2,6H/fC10H16N3O6S/h11-13H/q-1	['[1H27', '1H28:C4]HResonance + [1H27', '1H28:1H30]J3HH']	triplet	2	InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1/fC10H16N3O6S/h11-13H/q-1 	9	integer
DSS_1	InChI=1S/C6H16O3SSi/c1-11(2,3)6-4-5-10(7,8)9/h4-6H2,1-3H3,(H,7,8,9)/i4D2,5D2,6D2	InChI=1/C6H16O3SSi/c1-11(2,3)6-4-5-10(7,8)9/h4-6H2,1-3H3,(H,7,8,9)/p-1/i1H3,2H3,3H3,4D2,5D2,6D2/fC6H15O3SSi/q-1	['[1H12', '1H13', '1H14:C1+1H15', '1H16', '1H17:C2+1H18', '1H19', '1H20:C3]Hresonance']	Singlet	9	InChI=1/C6H16O3SSi/c1-11(2,3)6-4-5-10(7,8)9/h4-6H2,1-3H3,(H,7,8,9)/p-1/i4D2,5D2,6D2/fC6H15O3SSi/q-1	1	integer
For_1	InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)/p-1	InChI=1/CH2O2/c2-1-3/h1H,(H,2,3)/p-1/i1H/fCHO2/q-1	[1H4:C1]Hresonance	singlet	1	InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)/p-1	1	integer
Fum_1	InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/p-2/b2-1+	InChI=1/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/p-2/b2-1+/i1H,2H/fC4H2O4/q-2	[1H9:C1+1H10:C2]Hresonance	singlet	2	InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/p-2/b2-1+	1	integer
GSH+GSSG-3_1	['InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1', ' InChI=1S/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2']	['InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1/i1H2,2H2,5H/fC10H16N3O6S/h11-13H/q-1', ' InChI=1/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2/t9-,10-,11-,12-/m0/s1/i1H2,2H2,3H2,4H2,,9H,10H/fC20H30N6O12S2/h21-22,27-28,33-34H/q-2']	['[1H21,1H22:C1]HResonance + [1H21,1H22:1H23,1H24]J3HH + [1H21,1H22:1H29]J3HH', ' [1H41,1H42:C1+1H43,1H44:C2]HResonance + [1H41,1H42:1H45,1H46]J3HH + [1H41,1H42:1H57]J3HH + [1H43,1H44:1H47,1H48]J3HH + [1H43,1H44:1H58]J3HH']	multiplets	2	['InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1/fC10H16N3O6S/h11-13H/q-1', ' InChI=1/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2/t9-,10-,11-,12-/m0/s1/fC20H30N6O12S2/h21-22,27-28,33-34H/q-2']	1	integer
GSH+GSSG-3_2	['InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1', ' InChI=1S/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2']	['InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1/i1H2,2H2,5H/fC10H16N3O6S/h11-13H/q-1', ' InChI=1/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2/t9-,10-,11-,12-/m0/s1/i1H2,2H2,3H2,4H2,,9H,10H/fC20H30N6O12S2/h21-22,27-28,33-34H/q-2']	['[1H21,1H22:C1]HResonance + [1H21,1H22:1H23,1H24]J3HH + [1H21,1H22:1H29]J3HH', ' [1H41,1H42:C1+1H43,1H44:C2]HResonance + [1H41,1H42:1H45,1H46]J3HH + [1H41,1H42:1H57]J3HH + [1H43,1H44:1H47,1H48]J3HH + [1H43,1H44:1H58]J3HH']	multiplets	2	['InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1/fC10H16N3O6S/h11-13H/q-1', ' InChI=1/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2/t9-,10-,11-,12-/m0/s1/fC20H30N6O12S2/h21-22,27-28,33-34H/q-2']	2	integer
GSH+GSSG-3_3	['InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1', ' InChI=1S/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2']	['InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1/i1H2,2H2,5H/fC10H16N3O6S/h11-13H/q-1', ' InChI=1/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2/t9-,10-,11-,12-/m0/s1/i1H2,2H2,3H2,4H2,,9H,10H/fC20H30N6O12S2/h21-22,27-28,33-34H/q-2']	['[1H21,1H22:C1]HResonance + [1H21,1H22:1H23,1H24]J3HH + [1H21,1H22:1H29]J3HH', ' [1H41,1H42:C1+1H43,1H44:C2]HResonance + [1H41,1H42:1H45,1H46]J3HH + [1H41,1H42:1H57]J3HH + [1H43,1H44:1H47,1H48]J3HH + [1H43,1H44:1H58]J3HH']	multiplets	2	['InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1/fC10H16N3O6S/h11-13H/q-1', ' InChI=1/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2/t9-,10-,11-,12-/m0/s1/fC20H30N6O12S2/h21-22,27-28,33-34H/q-2']	3	integer
GSH+GSSG-3_4	['InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1', ' InChI=1S/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2']	['InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1/i1H2,2H2,5H/fC10H16N3O6S/h11-13H/q-1', ' InChI=1/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2/t9-,10-,11-,12-/m0/s1/i1H2,2H2,3H2,4H2,,9H,10H/fC20H30N6O12S2/h21-22,27-28,33-34H/q-2']	['[1H21,1H22:C1]HResonance + [1H21,1H22:1H23,1H24]J3HH + [1H21,1H22:1H29]J3HH', ' [1H41,1H42:C1+1H43,1H44:C2]HResonance + [1H41,1H42:1H45,1H46]J3HH + [1H41,1H42:1H57]J3HH + [1H43,1H44:1H47,1H48]J3HH + [1H43,1H44:1H58]J3HH']	multiplets	2	['InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1/fC10H16N3O6S/h11-13H/q-1', ' InChI=1/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2/t9-,10-,11-,12-/m0/s1/fC20H30N6O12S2/h21-22,27-28,33-34H/q-2']	4	integer
GSH+GSSG-3_5	['InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1', ' InChI=1S/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2']	['InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1/i1H2,2H2,5H/fC10H16N3O6S/h11-13H/q-1', ' InChI=1/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2/t9-,10-,11-,12-/m0/s1/i1H2,2H2,3H2,4H2,,9H,10H/fC20H30N6O12S2/h21-22,27-28,33-34H/q-2']	['[1H21,1H22:C1]HResonance + [1H21,1H22:1H23,1H24]J3HH + [1H21,1H22:1H29]J3HH', ' [1H41,1H42:C1+1H43,1H44:C2]HResonance + [1H41,1H42:1H45,1H46]J3HH + [1H41,1H42:1H57]J3HH + [1H43,1H44:1H47,1H48]J3HH + [1H43,1H44:1H58]J3HH']	multiplets	2	['InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1/fC10H16N3O6S/h11-13H/q-1', ' InChI=1/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2/t9-,10-,11-,12-/m0/s1/fC20H30N6O12S2/h21-22,27-28,33-34H/q-2']	5	integer
GSH+GSSG-3_6	['InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1', ' InChI=1S/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2']	['InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1/i1H2,2H2,5H/fC10H16N3O6S/h11-13H/q-1', ' InChI=1/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2/t9-,10-,11-,12-/m0/s1/i1H2,2H2,3H2,4H2,,9H,10H/fC20H30N6O12S2/h21-22,27-28,33-34H/q-2']	['[1H21,1H22:C1]HResonance + [1H21,1H22:1H23,1H24]J3HH + [1H21,1H22:1H29]J3HH', ' [1H41,1H42:C1+1H43,1H44:C2]HResonance + [1H41,1H42:1H45,1H46]J3HH + [1H41,1H42:1H57]J3HH + [1H43,1H44:1H47,1H48]J3HH + [1H43,1H44:1H58]J3HH']	multiplets	2	['InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1/fC10H16N3O6S/h11-13H/q-1', ' InChI=1/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2/t9-,10-,11-,12-/m0/s1/fC20H30N6O12S2/h21-22,27-28,33-34H/q-2']	6	integer
GSH+GSSG-3_7	['InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1', ' InChI=1S/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2']	['InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1/i1H2,2H2,5H/fC10H16N3O6S/h11-13H/q-1', ' InChI=1/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2/t9-,10-,11-,12-/m0/s1/i1H2,2H2,3H2,4H2,,9H,10H/fC20H30N6O12S2/h21-22,27-28,33-34H/q-2']	['[1H21,1H22:C1]HResonance + [1H21,1H22:1H23,1H24]J3HH + [1H21,1H22:1H29]J3HH', ' [1H41,1H42:C1+1H43,1H44:C2]HResonance + [1H41,1H42:1H45,1H46]J3HH + [1H41,1H42:1H57]J3HH + [1H43,1H44:1H47,1H48]J3HH + [1H43,1H44:1H58]J3HH']	multiplets	2	['InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1/fC10H16N3O6S/h11-13H/q-1', ' InChI=1/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2/t9-,10-,11-,12-/m0/s1/fC20H30N6O12S2/h21-22,27-28,33-34H/q-2']	7	integer
GSH+GSSG-4_1	['InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1', ' InChI=1S/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2']	['InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1/i1H2,2H2/fC10H16N3O6S/h11-13H/q-1', ' InChI=1/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2/t9-,10-,11-,12-/m0/s1/i1H2,2H2,3H2,4H2/fC20H30N6O12S2/h21-22,27-28,33-34H/q-2']	['[1H23,1H24:C2]HResonance + [1H23:1H24]J2HH + [1H23,1H24:1H21,1H22]J3HH', ' [1H45,1H46:C3+1H47,1H48:C4]HResonance + [1H45:1H46]J2HH + [1H45,1H46:1H41,1H42]J3HH + [1H47:1H48]J2HH + [1H47,1H48:1H43,1H44]J3HH']	multiplets	4	['InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1/fC10H16N3O6S/h11-13H/q-1', ' InChI=1/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2/t9-,10-,11-,12-/m0/s1/fC20H30N6O12S2/h21-22,27-28,33-34H/q-2']	1	integer
GSH+GSSG-4_2	['InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1', ' InChI=1S/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2']	['InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1/i1H2,2H2/fC10H16N3O6S/h11-13H/q-1', ' InChI=1/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2/t9-,10-,11-,12-/m0/s1/i1H2,2H2,3H2,4H2/fC20H30N6O12S2/h21-22,27-28,33-34H/q-2']	['[1H23,1H24:C2]HResonance + [1H23:1H24]J2HH + [1H23,1H24:1H21,1H22]J3HH', ' [1H45,1H46:C3+1H47,1H48:C4]HResonance + [1H45:1H46]J2HH + [1H45,1H46:1H41,1H42]J3HH + [1H47:1H48]J2HH + [1H47,1H48:1H43,1H44]J3HH']	multiplets	4	['InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1/fC10H16N3O6S/h11-13H/q-1', ' InChI=1/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2/t9-,10-,11-,12-/m0/s1/fC20H30N6O12S2/h21-22,27-28,33-34H/q-2']	2	integer
GSH+GSSG-4_3	['InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1', ' InChI=1S/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2']	['InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1/i1H2,2H2/fC10H16N3O6S/h11-13H/q-1', ' InChI=1/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2/t9-,10-,11-,12-/m0/s1/i1H2,2H2,3H2,4H2/fC20H30N6O12S2/h21-22,27-28,33-34H/q-2']	['[1H23,1H24:C2]HResonance + [1H23:1H24]J2HH + [1H23,1H24:1H21,1H22]J3HH', ' [1H45,1H46:C3+1H47,1H48:C4]HResonance + [1H45:1H46]J2HH + [1H45,1H46:1H41,1H42]J3HH + [1H47:1H48]J2HH + [1H47,1H48:1H43,1H44]J3HH']	multiplets	4	['InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1/fC10H16N3O6S/h11-13H/q-1', ' InChI=1/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2/t9-,10-,11-,12-/m0/s1/fC20H30N6O12S2/h21-22,27-28,33-34H/q-2']	3	integer
GSH+GSSG-4_4	['InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1', ' InChI=1S/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2']	['InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1/i1H2,2H2/fC10H16N3O6S/h11-13H/q-1', ' InChI=1/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2/t9-,10-,11-,12-/m0/s1/i1H2,2H2,3H2,4H2/fC20H30N6O12S2/h21-22,27-28,33-34H/q-2']	['[1H23,1H24:C2]HResonance + [1H23:1H24]J2HH + [1H23,1H24:1H21,1H22]J3HH', ' [1H45,1H46:C3+1H47,1H48:C4]HResonance + [1H45:1H46]J2HH + [1H45,1H46:1H41,1H42]J3HH + [1H47:1H48]J2HH + [1H47,1H48:1H43,1H44]J3HH']	multiplets	4	['InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1/fC10H16N3O6S/h11-13H/q-1', ' InChI=1/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2/t9-,10-,11-,12-/m0/s1/fC20H30N6O12S2/h21-22,27-28,33-34H/q-2']	4	integer
GSH+GSSG-4_5	['InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1', ' InChI=1S/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2']	['InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1/i1H2,2H2/fC10H16N3O6S/h11-13H/q-1', ' InChI=1/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2/t9-,10-,11-,12-/m0/s1/i1H2,2H2,3H2,4H2/fC20H30N6O12S2/h21-22,27-28,33-34H/q-2']	['[1H23,1H24:C2]HResonance + [1H23:1H24]J2HH + [1H23,1H24:1H21,1H22]J3HH', ' [1H45,1H46:C3+1H47,1H48:C4]HResonance + [1H45:1H46]J2HH + [1H45,1H46:1H41,1H42]J3HH + [1H47:1H48]J2HH + [1H47,1H48:1H43,1H44]J3HH']	multiplets	4	['InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1/fC10H16N3O6S/h11-13H/q-1', ' InChI=1/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2/t9-,10-,11-,12-/m0/s1/fC20H30N6O12S2/h21-22,27-28,33-34H/q-2']	5	integer
GSH+GSSG-4_6	['InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1', ' InChI=1S/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2']	['InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1/i1H2,2H2/fC10H16N3O6S/h11-13H/q-1', ' InChI=1/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2/t9-,10-,11-,12-/m0/s1/i1H2,2H2,3H2,4H2/fC20H30N6O12S2/h21-22,27-28,33-34H/q-2']	['[1H23,1H24:C2]HResonance + [1H23:1H24]J2HH + [1H23,1H24:1H21,1H22]J3HH', ' [1H45,1H46:C3+1H47,1H48:C4]HResonance + [1H45:1H46]J2HH + [1H45,1H46:1H41,1H42]J3HH + [1H47:1H48]J2HH + [1H47,1H48:1H43,1H44]J3HH']	multiplets	4	['InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1/fC10H16N3O6S/h11-13H/q-1', ' InChI=1/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2/t9-,10-,11-,12-/m0/s1/fC20H30N6O12S2/h21-22,27-28,33-34H/q-2']	6	integer
GSH+GSSG-4_7	['InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1', ' InChI=1S/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2']	['InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1/i1H2,2H2/fC10H16N3O6S/h11-13H/q-1', ' InChI=1/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2/t9-,10-,11-,12-/m0/s1/i1H2,2H2,3H2,4H2/fC20H30N6O12S2/h21-22,27-28,33-34H/q-2']	['[1H23,1H24:C2]HResonance + [1H23:1H24]J2HH + [1H23,1H24:1H21,1H22]J3HH', ' [1H45,1H46:C3+1H47,1H48:C4]HResonance + [1H45:1H46]J2HH + [1H45,1H46:1H41,1H42]J3HH + [1H47:1H48]J2HH + [1H47,1H48:1H43,1H44]J3HH']	multiplets	4	['InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1/fC10H16N3O6S/h11-13H/q-1', ' InChI=1/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2/t9-,10-,11-,12-/m0/s1/fC20H30N6O12S2/h21-22,27-28,33-34H/q-2']	7	integer
GSH+GSSG-4_8	['InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1', ' InChI=1S/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2']	['InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1/i1H2,2H2/fC10H16N3O6S/h11-13H/q-1', ' InChI=1/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2/t9-,10-,11-,12-/m0/s1/i1H2,2H2,3H2,4H2/fC20H30N6O12S2/h21-22,27-28,33-34H/q-2']	['[1H23,1H24:C2]HResonance + [1H23:1H24]J2HH + [1H23,1H24:1H21,1H22]J3HH', ' [1H45,1H46:C3+1H47,1H48:C4]HResonance + [1H45:1H46]J2HH + [1H45,1H46:1H41,1H42]J3HH + [1H47:1H48]J2HH + [1H47,1H48:1H43,1H44]J3HH']	multiplets	4	['InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1/fC10H16N3O6S/h11-13H/q-1', ' InChI=1/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2/t9-,10-,11-,12-/m0/s1/fC20H30N6O12S2/h21-22,27-28,33-34H/q-2']	8	integer
GSSG-12_1	InChI=1S/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2	InChI=1/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2/t9-,10-,11-,12-/m0/s1/i7H2,8H2,11H,12H/fC20H30N6O12S2/h21-22,27-28,33-34H/q-2	['[1H59:C11+1H60:C12]HResonance + [1H59:1H53', '1H54]J3HH + [1H60:1H55', '1H56]J3HH']	q	0.5	InChI=1/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2/t9-,10-,11-,12-/m0/s1/fC20H30N6O12S2/h21-22,27-28,33-34H/q-2	1	integer
GSSG-12_2	InChI=1S/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2	InChI=1/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2/t9-,10-,11-,12-/m0/s1/i7H2,8H2,11H,12H/fC20H30N6O12S2/h21-22,27-28,33-34H/q-2	['[1H59:C11+1H60:C12]HResonance + [1H59:1H53', '1H54]J3HH + [1H60:1H55', '1H56]J3HH']	q	0.5	InChI=1/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2/t9-,10-,11-,12-/m0/s1/fC20H30N6O12S2/h21-22,27-28,33-34H/q-2	2	integer
GSSG-12_3	InChI=1S/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2	InChI=1/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2/t9-,10-,11-,12-/m0/s1/i7H2,8H2,11H,12H/fC20H30N6O12S2/h21-22,27-28,33-34H/q-2	['[1H59:C11+1H60:C12]HResonance + [1H59:1H53', '1H54]J3HH + [1H60:1H55', '1H56]J3HH']	q	0.5	InChI=1/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2/t9-,10-,11-,12-/m0/s1/fC20H30N6O12S2/h21-22,27-28,33-34H/q-2	3	integer
GSSG-12_4	InChI=1S/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2	InChI=1/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2/t9-,10-,11-,12-/m0/s1/i7H2,8H2,11H,12H/fC20H30N6O12S2/h21-22,27-28,33-34H/q-2	['[1H59:C11+1H60:C12]HResonance + [1H59:1H53', '1H54]J3HH + [1H60:1H55', '1H56]J3HH']	q	0.5	InChI=1/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2/t9-,10-,11-,12-/m0/s1/fC20H30N6O12S2/h21-22,27-28,33-34H/q-2	4	integer
GXP-1'_1	['InChI=1/C10H14N5O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18)/p-2/t3-,5-,6-,9-/m1/s1 ', '  InChI=1/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)/p-3/t3-,5-,6-,9-/m1/s1  ', '  InChI=1/C10H16N5O14P3/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H3,11,13,14,18)/p-4/t3-,5-,6-,9-/m1/s1']	['InChI=1/C10H14N5O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18)/p-2/t3-,5-,6-,9-/m1/s1/i6H,9H/fC10H12N5O8P/h11,13,18H/q-2/b11-10+ ', '  InChI=1/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)/p-3/t3-,5-,6-,9-/m1/s1/i6H,9H/fC10H12N5O11P2/h11,13,18H/q-3/b11-10+  ', '  InChI=1/C10H16N5O14P3/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H3,11,13,14,18)/p-4/t3-,5-,6-,9-/m1/s1/i6H,9H/fC10H12N5O14P3/h14H,11H2/q-4']	['[1H31:C9]HResonance + [1H31:1H30]J3HH', ' [1H35:C9]HResonance + [1H35:1H34]J3HH', ' [1H39:C9]HResonance + [1H39:1H38]J3HH']		1	['InChI=1/C10H14N5O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18)/p-2/t3-,5-,6-,9-/m1/s1/fC10H12N5O8P/h11,13,18H/q-2/b11-10+ ', '  InChI=1/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)/p-3/t3-,5-,6-,9-/m1/s1/fC10H12N5O11P2/h11,13,18H/q-3/b11-10+  ', '  InChI=1/C10H16N5O14P3/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H3,11,13,14,18)/p-4/t3-,5-,6-,9-/m1/s1/fC10H12N5O14P3/h14H,11H2/q-4']	1	integer
GXP-1'_2	['InChI=1/C10H14N5O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18)/p-2/t3-,5-,6-,9-/m1/s1 ', '  InChI=1/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)/p-3/t3-,5-,6-,9-/m1/s1  ', '  InChI=1/C10H16N5O14P3/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H3,11,13,14,18)/p-4/t3-,5-,6-,9-/m1/s1']	['InChI=1/C10H14N5O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18)/p-2/t3-,5-,6-,9-/m1/s1/i6H,9H/fC10H12N5O8P/h11,13,18H/q-2/b11-10+ ', '  InChI=1/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)/p-3/t3-,5-,6-,9-/m1/s1/i6H,9H/fC10H12N5O11P2/h11,13,18H/q-3/b11-10+  ', '  InChI=1/C10H16N5O14P3/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H3,11,13,14,18)/p-4/t3-,5-,6-,9-/m1/s1/i6H,9H/fC10H12N5O14P3/h14H,11H2/q-4']	['[1H31:C9]HResonance + [1H31:1H30]J3HH', ' [1H35:C9]HResonance + [1H35:1H34]J3HH', ' [1H39:C9]HResonance + [1H39:1H38]J3HH']		1	['InChI=1/C10H14N5O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18)/p-2/t3-,5-,6-,9-/m1/s1/fC10H12N5O8P/h11,13,18H/q-2/b11-10+ ', '  InChI=1/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)/p-3/t3-,5-,6-,9-/m1/s1/fC10H12N5O11P2/h11,13,18H/q-3/b11-10+  ', '  InChI=1/C10H16N5O14P3/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H3,11,13,14,18)/p-4/t3-,5-,6-,9-/m1/s1/fC10H12N5O14P3/h14H,11H2/q-4']	2	integer
Gln+Glu-2_1	['InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1', ' InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1']	['InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/i1H2,3H/f/h6-8H/b7-4+', ' InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/i1H2,3H/fC5H8NO4/h6H/q-1']	['[1H15:C3]HResonance + [1H15:1H11,1H12]J3HH', ' [1H15:C3]HResonance + [1H15:1H11,1H12]J3HH']	triplet	3	['InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/f/h6-8H/b7-4+', ' InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/fC5H8NO4/h6H/q-1']	1	integer
Gln+Glu-2_10	['InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1', ' InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1']	['InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/i1H2,3H/f/h6-8H/b7-4+', ' InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/i1H2,3H/fC5H8NO4/h6H/q-1']	['[1H15:C3]HResonance + [1H15:1H11,1H12]J3HH', ' [1H15:C3]HResonance + [1H15:1H11,1H12]J3HH']	triplet	3	['InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/f/h6-8H/b7-4+', ' InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/fC5H8NO4/h6H/q-1']	10	integer
Gln+Glu-2_11	['InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1', ' InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1']	['InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/i1H2,3H/f/h6-8H/b7-4+', ' InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/i1H2,3H/fC5H8NO4/h6H/q-1']	['[1H15:C3]HResonance + [1H15:1H11,1H12]J3HH', ' [1H15:C3]HResonance + [1H15:1H11,1H12]J3HH']	triplet	3	['InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/f/h6-8H/b7-4+', ' InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/fC5H8NO4/h6H/q-1']	11	integer
Gln+Glu-2_2	['InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1', ' InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1']	['InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/i1H2,3H/f/h6-8H/b7-4+', ' InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/i1H2,3H/fC5H8NO4/h6H/q-1']	['[1H15:C3]HResonance + [1H15:1H11,1H12]J3HH', ' [1H15:C3]HResonance + [1H15:1H11,1H12]J3HH']	triplet	3	['InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/f/h6-8H/b7-4+', ' InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/fC5H8NO4/h6H/q-1']	2	integer
Gln+Glu-2_3	['InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1', ' InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1']	['InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/i1H2,3H/f/h6-8H/b7-4+', ' InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/i1H2,3H/fC5H8NO4/h6H/q-1']	['[1H15:C3]HResonance + [1H15:1H11,1H12]J3HH', ' [1H15:C3]HResonance + [1H15:1H11,1H12]J3HH']	triplet	3	['InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/f/h6-8H/b7-4+', ' InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/fC5H8NO4/h6H/q-1']	3	integer
Gln+Glu-2_4	['InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1', ' InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1']	['InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/i1H2,3H/f/h6-8H/b7-4+', ' InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/i1H2,3H/fC5H8NO4/h6H/q-1']	['[1H15:C3]HResonance + [1H15:1H11,1H12]J3HH', ' [1H15:C3]HResonance + [1H15:1H11,1H12]J3HH']	triplet	3	['InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/f/h6-8H/b7-4+', ' InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/fC5H8NO4/h6H/q-1']	4	integer
Gln+Glu-2_5	['InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1', ' InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1']	['InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/i1H2,3H/f/h6-8H/b7-4+', ' InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/i1H2,3H/fC5H8NO4/h6H/q-1']	['[1H15:C3]HResonance + [1H15:1H11,1H12]J3HH', ' [1H15:C3]HResonance + [1H15:1H11,1H12]J3HH']	triplet	3	['InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/f/h6-8H/b7-4+', ' InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/fC5H8NO4/h6H/q-1']	5	integer
Gln+Glu-2_6	['InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1', ' InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1']	['InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/i1H2,3H/f/h6-8H/b7-4+', ' InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/i1H2,3H/fC5H8NO4/h6H/q-1']	['[1H15:C3]HResonance + [1H15:1H11,1H12]J3HH', ' [1H15:C3]HResonance + [1H15:1H11,1H12]J3HH']	triplet	3	['InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/f/h6-8H/b7-4+', ' InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/fC5H8NO4/h6H/q-1']	6	integer
Gln+Glu-2_7	['InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1', ' InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1']	['InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/i1H2,3H/f/h6-8H/b7-4+', ' InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/i1H2,3H/fC5H8NO4/h6H/q-1']	['[1H15:C3]HResonance + [1H15:1H11,1H12]J3HH', ' [1H15:C3]HResonance + [1H15:1H11,1H12]J3HH']	triplet	3	['InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/f/h6-8H/b7-4+', ' InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/fC5H8NO4/h6H/q-1']	7	integer
Gln+Glu-2_8	['InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1', ' InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1']	['InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/i1H2,3H/f/h6-8H/b7-4+', ' InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/i1H2,3H/fC5H8NO4/h6H/q-1']	['[1H15:C3]HResonance + [1H15:1H11,1H12]J3HH', ' [1H15:C3]HResonance + [1H15:1H11,1H12]J3HH']	triplet	3	['InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/f/h6-8H/b7-4+', ' InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/fC5H8NO4/h6H/q-1']	8	integer
Gln+Glu-2_9	['InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1', ' InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1']	['InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/i1H2,3H/f/h6-8H/b7-4+', ' InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/i1H2,3H/fC5H8NO4/h6H/q-1']	['[1H15:C3]HResonance + [1H15:1H11,1H12]J3HH', ' [1H15:C3]HResonance + [1H15:1H11,1H12]J3HH']	triplet	3	['InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/f/h6-8H/b7-4+', ' InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/fC5H8NO4/h6H/q-1']	9	integer
Gln-3_1	InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1	InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/i1H2,2H2,3H/f/h6-8H/b7-4+	['[1H11', '1H12:C1]HResonance + [1H11', '1H12:1H13', '1H14]J3HH + [1H11', '1H12:1H15]J3HH']	multiplets	2	InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/f/h6-8H/b7-4+	1	integer
Gln-3_2	InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1	InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/i1H2,2H2,3H/f/h6-8H/b7-4+	['[1H11', '1H12:C1]HResonance + [1H11', '1H12:1H13', '1H14]J3HH + [1H11', '1H12:1H15]J3HH']	multiplets	2	InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/f/h6-8H/b7-4+	2	integer
Gln-3_3	InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1	InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/i1H2,2H2,3H/f/h6-8H/b7-4+	['[1H11', '1H12:C1]HResonance + [1H11', '1H12:1H13', '1H14]J3HH + [1H11', '1H12:1H15]J3HH']	multiplets	2	InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/f/h6-8H/b7-4+	3	integer
Gln-4_1	InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1	InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/i1H2,2H2/f/h6-8H/b7-4+	['[1H13', '1H14:C2]HResonance + [1H13', '1H14:1H11', '1H12]J3HH']	ddd	2	InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/f/h6-8H/b7-4+	1	integer
Gln-4_2	InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1	InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/i1H2,2H2/f/h6-8H/b7-4+	['[1H13', '1H14:C2]HResonance + [1H13', '1H14:1H11', '1H12]J3HH']	ddd	2	InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/f/h6-8H/b7-4+	2	integer
Gln-4_3	InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1	InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/i1H2,2H2/f/h6-8H/b7-4+	['[1H13', '1H14:C2]HResonance + [1H13', '1H14:1H11', '1H12]J3HH']	ddd	2	InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/f/h6-8H/b7-4+	3	integer
Gln-4_4	InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1	InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/i1H2,2H2/f/h6-8H/b7-4+	['[1H13', '1H14:C2]HResonance + [1H13', '1H14:1H11', '1H12]J3HH']	ddd	2	InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/f/h6-8H/b7-4+	4	integer
Gln-4_5	InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1	InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/i1H2,2H2/f/h6-8H/b7-4+	['[1H13', '1H14:C2]HResonance + [1H13', '1H14:1H11', '1H12]J3HH']	ddd	2	InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/f/h6-8H/b7-4+	5	integer
Gln-4_6	InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1	InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/i1H2,2H2/f/h6-8H/b7-4+	['[1H13', '1H14:C2]HResonance + [1H13', '1H14:1H11', '1H12]J3HH']	ddd	2	InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/f/h6-8H/b7-4+	6	integer
Gln-4_7	InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1	InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/i1H2,2H2/f/h6-8H/b7-4+	['[1H13', '1H14:C2]HResonance + [1H13', '1H14:1H11', '1H12]J3HH']	ddd	2	InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/f/h6-8H/b7-4+	7	integer
Glu-3-a_1	InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1	InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/i1H2,2H2,3H/fC5H8NO4/h6H/q-1	['[1H11', '1H12:C1]HResonance + [1H11:1H12]J2HH + [1H11', '1H12:1H13', '1H14]J3HH + [1H11', '1H12:1H15]J3HH']	multiplets	1	InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/fC5H8NO4/h6H/q-1	1	integer
Glu-3-a_10	InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1	InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/i1H2,2H2,3H/fC5H8NO4/h6H/q-1	['[1H11', '1H12:C1]HResonance + [1H11:1H12]J2HH + [1H11', '1H12:1H13', '1H14]J3HH + [1H11', '1H12:1H15]J3HH']	multiplets	1	InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/fC5H8NO4/h6H/q-1	10	integer
Glu-3-a_11	InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1	InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/i1H2,2H2,3H/fC5H8NO4/h6H/q-1	['[1H11', '1H12:C1]HResonance + [1H11:1H12]J2HH + [1H11', '1H12:1H13', '1H14]J3HH + [1H11', '1H12:1H15]J3HH']	multiplets	1	InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/fC5H8NO4/h6H/q-1	11	integer
Glu-3-a_12	InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1	InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/i1H2,2H2,3H/fC5H8NO4/h6H/q-1	['[1H11', '1H12:C1]HResonance + [1H11:1H12]J2HH + [1H11', '1H12:1H13', '1H14]J3HH + [1H11', '1H12:1H15]J3HH']	multiplets	1	InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/fC5H8NO4/h6H/q-1	12	integer
Glu-3-a_2	InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1	InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/i1H2,2H2,3H/fC5H8NO4/h6H/q-1	['[1H11', '1H12:C1]HResonance + [1H11:1H12]J2HH + [1H11', '1H12:1H13', '1H14]J3HH + [1H11', '1H12:1H15]J3HH']	multiplets	1	InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/fC5H8NO4/h6H/q-1	2	integer
Glu-3-a_3	InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1	InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/i1H2,2H2,3H/fC5H8NO4/h6H/q-1	['[1H11', '1H12:C1]HResonance + [1H11:1H12]J2HH + [1H11', '1H12:1H13', '1H14]J3HH + [1H11', '1H12:1H15]J3HH']	multiplets	1	InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/fC5H8NO4/h6H/q-1	3	integer
Glu-3-a_4	InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1	InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/i1H2,2H2,3H/fC5H8NO4/h6H/q-1	['[1H11', '1H12:C1]HResonance + [1H11:1H12]J2HH + [1H11', '1H12:1H13', '1H14]J3HH + [1H11', '1H12:1H15]J3HH']	multiplets	1	InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/fC5H8NO4/h6H/q-1	4	integer
Glu-3-a_5	InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1	InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/i1H2,2H2,3H/fC5H8NO4/h6H/q-1	['[1H11', '1H12:C1]HResonance + [1H11:1H12]J2HH + [1H11', '1H12:1H13', '1H14]J3HH + [1H11', '1H12:1H15]J3HH']	multiplets	1	InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/fC5H8NO4/h6H/q-1	5	integer
Glu-3-a_6	InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1	InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/i1H2,2H2,3H/fC5H8NO4/h6H/q-1	['[1H11', '1H12:C1]HResonance + [1H11:1H12]J2HH + [1H11', '1H12:1H13', '1H14]J3HH + [1H11', '1H12:1H15]J3HH']	multiplets	1	InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/fC5H8NO4/h6H/q-1	6	integer
Glu-3-a_7	InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1	InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/i1H2,2H2,3H/fC5H8NO4/h6H/q-1	['[1H11', '1H12:C1]HResonance + [1H11:1H12]J2HH + [1H11', '1H12:1H13', '1H14]J3HH + [1H11', '1H12:1H15]J3HH']	multiplets	1	InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/fC5H8NO4/h6H/q-1	7	integer
Glu-3-a_8	InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1	InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/i1H2,2H2,3H/fC5H8NO4/h6H/q-1	['[1H11', '1H12:C1]HResonance + [1H11:1H12]J2HH + [1H11', '1H12:1H13', '1H14]J3HH + [1H11', '1H12:1H15]J3HH']	multiplets	1	InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/fC5H8NO4/h6H/q-1	8	integer
Glu-3-a_9	InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1	InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/i1H2,2H2,3H/fC5H8NO4/h6H/q-1	['[1H11', '1H12:C1]HResonance + [1H11:1H12]J2HH + [1H11', '1H12:1H13', '1H14]J3HH + [1H11', '1H12:1H15]J3HH']	multiplets	1	InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/fC5H8NO4/h6H/q-1	9	integer
Glu-3-b_1	InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1	InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/i1H2,2H2,3H/fC5H8NO4/h6H/q-1	['[1H11', '1H12:C1]HResonance + [1H11:1H12]J2HH + [1H11', '1H12:1H13', '1H14]J3HH + [1H11', '1H12:1H15]J3HH']	multiplets	1	InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/fC5H8NO4/h6H/q-1	1	integer
Glu-3-b_2	InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1	InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/i1H2,2H2,3H/fC5H8NO4/h6H/q-1	['[1H11', '1H12:C1]HResonance + [1H11:1H12]J2HH + [1H11', '1H12:1H13', '1H14]J3HH + [1H11', '1H12:1H15]J3HH']	multiplets	1	InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/fC5H8NO4/h6H/q-1	2	integer
Glu-3-b_3	InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1	InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/i1H2,2H2,3H/fC5H8NO4/h6H/q-1	['[1H11', '1H12:C1]HResonance + [1H11:1H12]J2HH + [1H11', '1H12:1H13', '1H14]J3HH + [1H11', '1H12:1H15]J3HH']	multiplets	1	InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/fC5H8NO4/h6H/q-1	3	integer
Glu-3-b_4	InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1	InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/i1H2,2H2,3H/fC5H8NO4/h6H/q-1	['[1H11', '1H12:C1]HResonance + [1H11:1H12]J2HH + [1H11', '1H12:1H13', '1H14]J3HH + [1H11', '1H12:1H15]J3HH']	multiplets	1	InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/fC5H8NO4/h6H/q-1	4	integer
Glu-3-b_5	InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1	InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/i1H2,2H2,3H/fC5H8NO4/h6H/q-1	['[1H11', '1H12:C1]HResonance + [1H11:1H12]J2HH + [1H11', '1H12:1H13', '1H14]J3HH + [1H11', '1H12:1H15]J3HH']	multiplets	1	InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/fC5H8NO4/h6H/q-1	5	integer
Glu-3-b_6	InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1	InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/i1H2,2H2,3H/fC5H8NO4/h6H/q-1	['[1H11', '1H12:C1]HResonance + [1H11:1H12]J2HH + [1H11', '1H12:1H13', '1H14]J3HH + [1H11', '1H12:1H15]J3HH']	multiplets	1	InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/fC5H8NO4/h6H/q-1	6	integer
Glu-3-b_7	InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1	InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/i1H2,2H2,3H/fC5H8NO4/h6H/q-1	['[1H11', '1H12:C1]HResonance + [1H11:1H12]J2HH + [1H11', '1H12:1H13', '1H14]J3HH + [1H11', '1H12:1H15]J3HH']	multiplets	1	InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/fC5H8NO4/h6H/q-1	7	integer
Glu-4_1	InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1	InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/i1H2,2H2/fC5H8NO4/h6H/q-1	['[1H13', '1H14:C2]HResonance + [1H13:1H14]J2HH + [1H13', '1H14:1H11', '1H12]J3HH']	multiplets	2	InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/fC5H8NO4/h6H/q-1	1	integer
Glu-4_10	InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1	InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/i1H2,2H2/fC5H8NO4/h6H/q-1	['[1H13', '1H14:C2]HResonance + [1H13:1H14]J2HH + [1H13', '1H14:1H11', '1H12]J3HH']	multiplets	2	InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/fC5H8NO4/h6H/q-1	10	integer
Glu-4_11	InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1	InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/i1H2,2H2/fC5H8NO4/h6H/q-1	['[1H13', '1H14:C2]HResonance + [1H13:1H14]J2HH + [1H13', '1H14:1H11', '1H12]J3HH']	multiplets	2	InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/fC5H8NO4/h6H/q-1	11	integer
Glu-4_2	InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1	InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/i1H2,2H2/fC5H8NO4/h6H/q-1	['[1H13', '1H14:C2]HResonance + [1H13:1H14]J2HH + [1H13', '1H14:1H11', '1H12]J3HH']	multiplets	2	InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/fC5H8NO4/h6H/q-1	2	integer
Glu-4_3	InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1	InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/i1H2,2H2/fC5H8NO4/h6H/q-1	['[1H13', '1H14:C2]HResonance + [1H13:1H14]J2HH + [1H13', '1H14:1H11', '1H12]J3HH']	multiplets	2	InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/fC5H8NO4/h6H/q-1	3	integer
Glu-4_4	InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1	InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/i1H2,2H2/fC5H8NO4/h6H/q-1	['[1H13', '1H14:C2]HResonance + [1H13:1H14]J2HH + [1H13', '1H14:1H11', '1H12]J3HH']	multiplets	2	InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/fC5H8NO4/h6H/q-1	4	integer
Glu-4_5	InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1	InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/i1H2,2H2/fC5H8NO4/h6H/q-1	['[1H13', '1H14:C2]HResonance + [1H13:1H14]J2HH + [1H13', '1H14:1H11', '1H12]J3HH']	multiplets	2	InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/fC5H8NO4/h6H/q-1	5	integer
Glu-4_6	InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1	InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/i1H2,2H2/fC5H8NO4/h6H/q-1	['[1H13', '1H14:C2]HResonance + [1H13:1H14]J2HH + [1H13', '1H14:1H11', '1H12]J3HH']	multiplets	2	InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/fC5H8NO4/h6H/q-1	6	integer
Glu-4_7	InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1	InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/i1H2,2H2/fC5H8NO4/h6H/q-1	['[1H13', '1H14:C2]HResonance + [1H13:1H14]J2HH + [1H13', '1H14:1H11', '1H12]J3HH']	multiplets	2	InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/fC5H8NO4/h6H/q-1	7	integer
Glu-4_8	InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1	InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/i1H2,2H2/fC5H8NO4/h6H/q-1	['[1H13', '1H14:C2]HResonance + [1H13:1H14]J2HH + [1H13', '1H14:1H11', '1H12]J3HH']	multiplets	2	InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/fC5H8NO4/h6H/q-1	8	integer
Glu-4_9	InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1	InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/i1H2,2H2/fC5H8NO4/h6H/q-1	['[1H13', '1H14:C2]HResonance + [1H13:1H14]J2HH + [1H13', '1H14:1H11', '1H12]J3HH']	multiplets	2	InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/fC5H8NO4/h6H/q-1	9	integer
Gly_1	InChI=1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)	InChI=1/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)/i1H2/f/h3H	['[1H6', '1H7:C1]HResonance']	singlet	2	InChI=1/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)/f/h3H	1	integer
Glycogen_1	InChI=1S/C24H42O21/c25-1-5-9(28)11(30)16(35)22(41-5)39-4-8-20(45-23-17(36)12(31)10(29)6(2-26)42-23)14(33)18(37)24(43-8)44-19-7(3-27)40-21(38)15(34)13(19)32/h5-38H,1-4H2/t5-,6-,7-,8-,9-,10-,11+,12+,13-,14-,15-,16-,17-,18-,19-,20-,21+,22+,23-,24-/m1/s1	InChI=1S/C24H42O21/c25-1-5-9(28)11(30)16(35)22(41-5)39-4-8-20(45-23-17(36)12(31)10(29)6(2-26)42-23)14(33)18(37)24(43-8)44-19-7(3-27)40-21(38)15(34)13(19)32/h5-38H,1-4H2/t5-,6-,7-,8-,9-,10-,11+,12+,13-,14-,15-,16-,17-,18-,19-,20-,21+,22+,23-,24-/m1/s1/i17H,23H	[1H72:C23]HResonance + [1H72:1H66]J3HH	multiplets	1	InChI=1S/C24H42O21/c25-1-5-9(28)11(30)16(35)22(41-5)39-4-8-20(45-23-17(36)12(31)10(29)6(2-26)42-23)14(33)18(37)24(43-8)44-19-7(3-27)40-21(38)15(34)13(19)32/h5-38H,1-4H2/t5-,6-,7-,8-,9-,10-,11+,12+,13-,14-,15-,16-,17-,18-,19-,20-,21+,22+,23-,24-/m1/s1 	1	integer
Glycogen_2	InChI=1S/C24H42O21/c25-1-5-9(28)11(30)16(35)22(41-5)39-4-8-20(45-23-17(36)12(31)10(29)6(2-26)42-23)14(33)18(37)24(43-8)44-19-7(3-27)40-21(38)15(34)13(19)32/h5-38H,1-4H2/t5-,6-,7-,8-,9-,10-,11+,12+,13-,14-,15-,16-,17-,18-,19-,20-,21+,22+,23-,24-/m1/s1	InChI=1S/C24H42O21/c25-1-5-9(28)11(30)16(35)22(41-5)39-4-8-20(45-23-17(36)12(31)10(29)6(2-26)42-23)14(33)18(37)24(43-8)44-19-7(3-27)40-21(38)15(34)13(19)32/h5-38H,1-4H2/t5-,6-,7-,8-,9-,10-,11+,12+,13-,14-,15-,16-,17-,18-,19-,20-,21+,22+,23-,24-/m1/s1/i17H,23H	[1H72:C23]HResonance + [1H72:1H66]J3HH	multiplets	1	InChI=1S/C24H42O21/c25-1-5-9(28)11(30)16(35)22(41-5)39-4-8-20(45-23-17(36)12(31)10(29)6(2-26)42-23)14(33)18(37)24(43-8)44-19-7(3-27)40-21(38)15(34)13(19)32/h5-38H,1-4H2/t5-,6-,7-,8-,9-,10-,11+,12+,13-,14-,15-,16-,17-,18-,19-,20-,21+,22+,23-,24-/m1/s1 	2	integer
Ile_1	InChI=1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5-/m0/s1	InChI=1/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5-/m0/s1/i2H3,4H/f/h7H	['[1H13', '1H14', '1H15:C2]HResonance + [1H13', '1H14', '1H15:1H18]J3HH']	doublets	3	InChI=1/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5-/m0/s1/f/h7H	1	integer
Ile_2	InChI=1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5-/m0/s1	InChI=1/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5-/m0/s1/i2H3,4H/f/h7H	['[1H13', '1H14', '1H15:C2]HResonance + [1H13', '1H14', '1H15:1H18]J3HH']	doublets	3	InChI=1/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5-/m0/s1/f/h7H	2	integer
Inosine-1'_1	InChI=1S/C10H12N4O5/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18/h2-4,6-7,10,15-17H,1H2,(H,11,12,18)/t4-,6-,7-,10-/m1/s1	InChI=1S/C10H12N4O5/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18/h2-4,6-7,10,15-17H,1H2,(H,11,12,18)/t4-,6-,7-,10-/m1/s1/i7H,10H	[1H27:C10]HResonance + [1H27:1H26]J3HH	doublets	1	InChI=1/C10H12N4O5/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18/h2-4,6-7,10,15-17H,1H2,(H,11,12,18)/t4-,6-,7-,10-/m1/s1/f/h11H	1	integer
Inosine-1'_2	InChI=1S/C10H12N4O5/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18/h2-4,6-7,10,15-17H,1H2,(H,11,12,18)/t4-,6-,7-,10-/m1/s1	InChI=1S/C10H12N4O5/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18/h2-4,6-7,10,15-17H,1H2,(H,11,12,18)/t4-,6-,7-,10-/m1/s1/i7H,10H	[1H27:C10]HResonance + [1H27:1H26]J3HH	doublets	1	InChI=1/C10H12N4O5/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18/h2-4,6-7,10,15-17H,1H2,(H,11,12,18)/t4-,6-,7-,10-/m1/s1/f/h11H	2	integer
Lac-2_1	InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1	InChI=1/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1/t2-/m0/s1/i1H3,2H/fC3H5O3/q-1	['[1H10:C2]HResonance + [1H10:1H7', '1H8', '1H9]J3HH']	quatet	1	InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1	1	integer
Lac-2_2	InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1	InChI=1/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1/t2-/m0/s1/i1H3,2H/fC3H5O3/q-1	['[1H10:C2]HResonance + [1H10:1H7', '1H8', '1H9]J3HH']	quatet	1	InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1	2	integer
Lac-2_3	InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1	InChI=1/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1/t2-/m0/s1/i1H3,2H/fC3H5O3/q-1	['[1H10:C2]HResonance + [1H10:1H7', '1H8', '1H9]J3HH']	quatet	1	InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1	3	integer
Lac-2_4	InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1	InChI=1/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1/t2-/m0/s1/i1H3,2H/fC3H5O3/q-1	['[1H10:C2]HResonance + [1H10:1H7', '1H8', '1H9]J3HH']	quatet	1	InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1	4	integer
Lac-3_1	InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1	InChI=1/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1/t2-/m0/s1/i1H3,2H/fC3H5O3/q-1	['[1H7', '1H8', '1H9:C1]HResonance + [1H7', '1H8', '1H9:1H10]J3HH']	doublets	3	InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1	1	integer
Lac-3_2	InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1	InChI=1/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1/t2-/m0/s1/i1H3,2H/fC3H5O3/q-1	['[1H7', '1H8', '1H9:C1]HResonance + [1H7', '1H8', '1H9:1H10]J3HH']	doublets	3	InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1	2	integer
Lac-3_3	InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1	InChI=1/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1/t2-/m0/s1/i1H3,2H/fC3H5O3/q-1	['[1H7', '1H8', '1H9:C1]HResonance + [1H7', '1H8', '1H9:1H10]J3HH']	doublets	3	InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1	3	integer
Lac13C-A_1	InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1	InChI=1/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1/t2-/m0/s1/i1+1H3/fC3H5O3/q-1	['[1H7', '1H8', '1H9:C1]HResonance + [1H7', '1H8', '1H9:13C1]J1CH']	ddd	1.5	InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1	1	integer
Lac13C-A_2	InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1	InChI=1/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1/t2-/m0/s1/i1+1H3/fC3H5O3/q-1	['[1H7', '1H8', '1H9:C1]HResonance + [1H7', '1H8', '1H9:13C1]J1CH']	ddd	1.5	InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1	2	integer
Lac13C-A_3	InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1	InChI=1/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1/t2-/m0/s1/i1+1H3/fC3H5O3/q-1	['[1H7', '1H8', '1H9:C1]HResonance + [1H7', '1H8', '1H9:13C1]J1CH']	ddd	1.5	InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1	3	integer
Lac13C-A_4	InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1	InChI=1/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1/t2-/m0/s1/i1+1H3/fC3H5O3/q-1	['[1H7', '1H8', '1H9:C1]HResonance + [1H7', '1H8', '1H9:13C1]J1CH']	ddd	1.5	InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1	4	integer
Lac13C-A_5	InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1	InChI=1/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1/t2-/m0/s1/i1+1H3/fC3H5O3/q-1	['[1H7', '1H8', '1H9:C1]HResonance + [1H7', '1H8', '1H9:13C1]J1CH']	ddd	1.5	InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1	5	integer
Lac13C-A_6	InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1	InChI=1/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1/t2-/m0/s1/i1+1H3/fC3H5O3/q-1	['[1H7', '1H8', '1H9:C1]HResonance + [1H7', '1H8', '1H9:13C1]J1CH']	ddd	1.5	InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1	6	integer
Lac13C-A_7	InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1	InChI=1/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1/t2-/m0/s1/i1+1H3/fC3H5O3/q-1	['[1H7', '1H8', '1H9:C1]HResonance + [1H7', '1H8', '1H9:13C1]J1CH']	ddd	1.5	InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1	7	integer
Lac13C-A_8	InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1	InChI=1/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1/t2-/m0/s1/i1+1H3/fC3H5O3/q-1	['[1H7', '1H8', '1H9:C1]HResonance + [1H7', '1H8', '1H9:13C1]J1CH']	ddd	1.5	InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1	8	integer
Lac13C-B_1	InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1	InChI=1/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1/t2-/m0/s1/i1+1H3/fC3H5O3/q-1	['[1H7', '1H8', '1H9:C1]HResonance + [1H7', '1H8', '1H9:13C1]J1CH']	ddd	1.5	InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1	1	integer
Lac13C-B_2	InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1	InChI=1/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1/t2-/m0/s1/i1+1H3/fC3H5O3/q-1	['[1H7', '1H8', '1H9:C1]HResonance + [1H7', '1H8', '1H9:13C1]J1CH']	ddd	1.5	InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1	2	integer
Lac13C-B_3	InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1	InChI=1/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1/t2-/m0/s1/i1+1H3/fC3H5O3/q-1	['[1H7', '1H8', '1H9:C1]HResonance + [1H7', '1H8', '1H9:13C1]J1CH']	ddd	1.5	InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1	3	integer
Lac13C-B_4	InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1	InChI=1/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1/t2-/m0/s1/i1+1H3/fC3H5O3/q-1	['[1H7', '1H8', '1H9:C1]HResonance + [1H7', '1H8', '1H9:13C1]J1CH']	ddd	1.5	InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1	4	integer
Lac13C-B_5	InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1	InChI=1/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1/t2-/m0/s1/i1+1H3/fC3H5O3/q-1	['[1H7', '1H8', '1H9:C1]HResonance + [1H7', '1H8', '1H9:13C1]J1CH']	ddd	1.5	InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1	5	integer
Lac13C-B_6	InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1	InChI=1/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1/t2-/m0/s1/i1+1H3/fC3H5O3/q-1	['[1H7', '1H8', '1H9:C1]HResonance + [1H7', '1H8', '1H9:13C1]J1CH']	ddd	1.5	InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1	6	integer
Lac13C-B_7	InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1	InChI=1/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1/t2-/m0/s1/i1+1H3/fC3H5O3/q-1	['[1H7', '1H8', '1H9:C1]HResonance + [1H7', '1H8', '1H9:13C1]J1CH']	ddd	1.5	InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1	7	integer
Lac13C-B_8	InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1	InChI=1/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1/t2-/m0/s1/i1+1H3/fC3H5O3/q-1	['[1H7', '1H8', '1H9:C1]HResonance + [1H7', '1H8', '1H9:13C1]J1CH']	ddd	1.5	InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1	8	integer
Me-His A_1	InChI=1S/C7H11N3O2/c1-10-4-9-3-5(10)2-6(8)7(11)12/h3-4,6H,2,8H2,1H3,(H,11,12)/t6-/m0/s1	InChI=1/C7H11N3O2/c1-10-4-9-3-5(10)2-6(8)7(11)12/h3-4,6H,2,8H2,1H3,(H,11,12)/t6-/m0/s1/i4H/f/h8H	[1H19:C4]HResonance	singlet	1	InChI=1/C7H11N3O2/c1-10-4-9-3-5(10)2-6(8)7(11)12/h3-4,6H,2,8H2,1H3,(H,11,12)/t6-/m0/s1/f/h8H	1	integer
Me-His B_1	InChI=1S/C7H11N3O2/c1-10-4-9-3-5(10)2-6(8)7(11)12/h3-4,6H,2,8H2,1H3,(H,11,12)/t6-/m0/s1	InChI=1/C7H11N3O2/c1-10-4-9-3-5(10)2-6(8)7(11)12/h3-4,6H,2,8H2,1H3,(H,11,12)/t6-/m0/s1/i3H/f/h8H	[1H18:C3]HResonance	singlet	1	InChI=1/C7H11N3O2/c1-10-4-9-3-5(10)2-6(8)7(11)12/h3-4,6H,2,8H2,1H3,(H,11,12)/t6-/m0/s1/f/h8H	1	integer
NAD+-A1'_1	InChI=1S/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/p+1/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1	InChI=1/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/p+1/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1/i16H,21H/fC21H28N7O14P2/h34,36H,22-23H2/q+1	[1H62:C21]HResonance + [1H62:1H60]J3HH	doublets	1	InChI=1/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/p+1/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1/fC21H28N7O14P2/h34,36H,22-23H2/q+1 	1	integer
NAD+-A1'_2	InChI=1S/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/p+1/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1	InChI=1/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/p+1/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1/i16H,21H/fC21H28N7O14P2/h34,36H,22-23H2/q+1	[1H62:C21]HResonance + [1H62:1H60]J3HH	doublets	1	InChI=1/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/p+1/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1/fC21H28N7O14P2/h34,36H,22-23H2/q+1 	2	integer
NAD+-A1'_3	InChI=1S/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/p+1/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1	InChI=1/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/p+1/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1/i16H,21H/fC21H28N7O14P2/h34,36H,22-23H2/q+1	[1H62:C21]HResonance + [1H62:1H60]J3HH	doublets	1	InChI=1/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/p+1/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1/fC21H28N7O14P2/h34,36H,22-23H2/q+1 	3	integer
NAD+-N1' 13C-B_1	InChI=1S/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/p+1/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1	InChI=1/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/p+1/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1/i15H,20+1H/fC21H28N7O14P2/h34,36H,22-23H2/q+1	[1H61:C20]HResonance + [1H61:13C20]J1CH + [1H61:1H59]J3HH	multiplets	0.5	InChI=1/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/p+1/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1/fC21H28N7O14P2/h34,36H,22-23H2/q+1 	1	integer
NAD+-N1'_1	InChI=1S/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/p+1/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1	InChI=1/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/p+1/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1/i15H,20H/fC21H28N7O14P2/h34,36H,22-23H2/q+1	[1H61:C20]HResonance + [1H61:1H59]J3HH	doublets	1	InChI=1/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/p+1/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1/fC21H28N7O14P2/h34,36H,22-23H2/q+1 	1	integer
NAD+-N1'_2	InChI=1S/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/p+1/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1	InChI=1/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/p+1/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1/i15H,20H/fC21H28N7O14P2/h34,36H,22-23H2/q+1	[1H61:C20]HResonance + [1H61:1H59]J3HH	doublets	1	InChI=1/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/p+1/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1/fC21H28N7O14P2/h34,36H,22-23H2/q+1 	2	integer
NAD-N2_1	InChI=1S/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/p+1/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1	InChI=1/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/p+1/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1/i4H/fC21H28N7O14P2/h34,36H,22-23H2/q+1	[1H48:C4]HResonance	singlet	1	InChI=1/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/p+1/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1/fC21H28N7O14P2/h34,36H,22-23H2/q+1 	1	integer
NAD-N6_1	InChI=1S/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/p+1/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1	InChI=1/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/p+1/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1/i1H,3H/fC21H28N7O14P2/h34,36H,22-23H2/q+1	[1H47:C3]HResonance + [1H47:1H45]J3HH	doublets	1	InChI=1/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/p+1/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1/fC21H28N7O14P2/h34,36H,22-23H2/q+1 	1	integer
NAD-N6_2	InChI=1S/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/p+1/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1	InChI=1/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/p+1/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1/i1H,3H/fC21H28N7O14P2/h34,36H,22-23H2/q+1	[1H47:C3]HResonance + [1H47:1H45]J3HH	doublets	1	InChI=1/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/p+1/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1/fC21H28N7O14P2/h34,36H,22-23H2/q+1 	2	integer
NAD-N6_3	InChI=1S/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/p+1/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1	InChI=1/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/p+1/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1/i1H,3H/fC21H28N7O14P2/h34,36H,22-23H2/q+1	[1H47:C3]HResonance + [1H47:1H45]J3HH	doublets	1	InChI=1/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/p+1/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1/fC21H28N7O14P2/h34,36H,22-23H2/q+1 	3	integer
NADP-N2_1	InChI=1S/C21H28N7O17P3/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32/h1-4,7-8,10-11,13-16,20-21,29-31H,5-6H2,(H7-,22,23,24,25,32,33,34,35,36,37,38,39)/p+1/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1	InChI=1/C21H28N7O17P3/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32/h1-4,7-8,10-11,13-16,20-21,29-31H,5-6H2,(H7-,22,23,24,25,32,33,34,35,36,37,38,39)/p+1/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1/i4H/fC21H29N7O17P3/h33-34,36,38H,22-23H2/q+1	[1H52:C4]HResonance	singlet	1	InChI=1/C21H28N7O17P3/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32/h1-4,7-8,10-11,13-16,20-21,29-31H,5-6H2,(H7-,22,23,24,25,32,33,34,35,36,37,38,39)/p+1/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1/fC21H29N7O17P3/h33-34,36,38H,22-23H2/q+1	1	integer
Nicotin-2_1	InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1	InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1/i8H	[1H25:C8]HResonance	doublets	1	InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1	1	integer
Nicotin-2_2	InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1	InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1/i8H	[1H25:C8]HResonance	doublets	1	InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1	2	integer
Nicotin-5_1	InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1	InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1/i2H,4H,6H	[1H16:C2]HResonance + [1H16:1H19]J3HH + [1H16:1H22]J3HH	ddd	1	InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1	1	integer
Nicotin-5_2	InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1	InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1/i2H,4H,6H	[1H16:C2]HResonance + [1H16:1H19]J3HH + [1H16:1H22]J3HH	ddd	1	InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1	2	integer
Nicotin-5_3	InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1	InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1/i2H,4H,6H	[1H16:C2]HResonance + [1H16:1H19]J3HH + [1H16:1H22]J3HH	ddd	1	InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1	3	integer
Nicotin-5_4	InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1	InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1/i2H,4H,6H	[1H16:C2]HResonance + [1H16:1H19]J3HH + [1H16:1H22]J3HH	ddd	1	InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1	4	integer
Nicotin-6_1	InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1	InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1/i2H,6H	[1H22:C6]HResonance + [1H22:1H16]J3HH	dd	1	InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1	1	integer
Nicotin-6_2	InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1	InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1/i2H,6H	[1H22:C6]HResonance + [1H22:1H16]J3HH	dd	1	InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1	2	integer
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
Tau-1 (SCH2)_1	InChI=1S/C2H7NO3S/c3-1-2-7(4,5)6/h1-3H2,(H,4,5,6)	InChI=1/C2H7NO3S/c3-1-2-7(4,5)6/h1-3H2,(H,4,5,6)/i1H2,2H2/f/h3H	['[1H10', '1H11:C2]HResonance + [1H10', '1H11:1H8', '1H9]J3HH']	triplet	2	InChI=1/C2H7NO3S/c3-1-2-7(4,5)6/h1-3H2,(H,4,5,6)/f/h3H	1	integer
Tau-1 (SCH2)_2	InChI=1S/C2H7NO3S/c3-1-2-7(4,5)6/h1-3H2,(H,4,5,6)	InChI=1/C2H7NO3S/c3-1-2-7(4,5)6/h1-3H2,(H,4,5,6)/i1H2,2H2/f/h3H	['[1H10', '1H11:C2]HResonance + [1H10', '1H11:1H8', '1H9]J3HH']	triplet	2	InChI=1/C2H7NO3S/c3-1-2-7(4,5)6/h1-3H2,(H,4,5,6)/f/h3H	2	integer
Tau-1 (SCH2)_3	InChI=1S/C2H7NO3S/c3-1-2-7(4,5)6/h1-3H2,(H,4,5,6)	InChI=1/C2H7NO3S/c3-1-2-7(4,5)6/h1-3H2,(H,4,5,6)/i1H2,2H2/f/h3H	['[1H10', '1H11:C2]HResonance + [1H10', '1H11:1H8', '1H9]J3HH']	triplet	2	InChI=1/C2H7NO3S/c3-1-2-7(4,5)6/h1-3H2,(H,4,5,6)/f/h3H	3	integer
Tau-2 (NCH2)_1	InChI=1S/C2H7NO3S/c3-1-2-7(4,5)6/h1-3H2,(H,4,5,6)	InChI=1/C2H7NO3S/c3-1-2-7(4,5)6/h1-3H2,(H,4,5,6)/i1H2,2H2/f/h3H	['[1H8', '1H9:C1]HResonance + [1H8', '1H9:1H10', '1H11]J3HH']	triplet	2	InChI=1/C2H7NO3S/c3-1-2-7(4,5)6/h1-3H2,(H,4,5,6)/f/h3H	1	integer
Tau-2 (NCH2)_2	InChI=1S/C2H7NO3S/c3-1-2-7(4,5)6/h1-3H2,(H,4,5,6)	InChI=1/C2H7NO3S/c3-1-2-7(4,5)6/h1-3H2,(H,4,5,6)/i1H2,2H2/f/h3H	['[1H8', '1H9:C1]HResonance + [1H8', '1H9:1H10', '1H11]J3HH']	triplet	2	InChI=1/C2H7NO3S/c3-1-2-7(4,5)6/h1-3H2,(H,4,5,6)/f/h3H	2	integer
Tau-2 (NCH2)_3	InChI=1S/C2H7NO3S/c3-1-2-7(4,5)6/h1-3H2,(H,4,5,6)	InChI=1/C2H7NO3S/c3-1-2-7(4,5)6/h1-3H2,(H,4,5,6)/i1H2,2H2/f/h3H	['[1H8', '1H9:C1]HResonance + [1H8', '1H9:1H10', '1H11]J3HH']	triplet	2	InChI=1/C2H7NO3S/c3-1-2-7(4,5)6/h1-3H2,(H,4,5,6)/f/h3H	3	integer
Tris_1	InChI=1S/C6H16O3SSi/c1-11(2,3)6-4-5-10(7,8)9/h4-6H2,1-3H3,(H,7,8,9)/i4D2,5D2,6D2	InChI=1/C4H11NO3/c5-4(1-6,2-7)3-8/h6-8H,1-3,5H2/p+1/i1H2,2H2,3H2/fC4H12NO3/h5H/q+1	['[1H9', '1H10:C1+1H11', '1H12:C2+1H13', '1H14:C3]Hresonance']	singlet	6	InChI=1/C6H16O3SSi/c1-11(2,3)6-4-5-10(7,8)9/h4-6H2,1-3H3,(H,7,8,9)/p-1/i4D2,5D2,6D2/fC6H15O3SSi/q-1 	1	integer
Trp-4_1	InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m0/s1	InChI=1/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m0/s1/i1H,3H/f/h12H	[1H18:C3]HResonance + [1H18:1H16]J3HH	doublets	1	InChI=1/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m0/s1/f/h12H	1	integer
Trp-4_2	InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m0/s1	InChI=1/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m0/s1/i1H,3H/f/h12H	[1H18:C3]HResonance + [1H18:1H16]J3HH	doublets	1	InChI=1/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m0/s1/f/h12H	2	integer
Tyr-2,6_1	InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1	InChI=1/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1/i1H,2H,3H,4H/f/h10H	[1H14:C1+1H15:C2]HResonance + [1H14:1H16]J3HH + [1H15:1H17]J3HH	doublets	2	InChI=1/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1/f/h10H	1	integer
Tyr-2,6_2	InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1	InChI=1/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1/i1H,2H,3H,4H/f/h10H	[1H14:C1+1H15:C2]HResonance + [1H14:1H16]J3HH + [1H15:1H17]J3HH	doublets	2	InChI=1/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1/f/h10H	2	integer
Tyr-3,5_1	InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1	InChI=1/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1/i1H,2H,3H,4H/f/h10H	[1H16:C3+1H17:C4]HResonance + [1H16:1H14]J3HH + [1H17:1H15]J3HH	doublets	2	InChI=1/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1/f/h10H	1	integer
Tyr-3,5_2	InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1	InChI=1/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1/i1H,2H,3H,4H/f/h10H	[1H16:C3+1H17:C4]HResonance + [1H16:1H14]J3HH + [1H17:1H15]J3HH	doublets	2	InChI=1/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1/f/h10H	2	integer
UXP-1'_1	['InChI=1S/C9H13N2O9P/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,18)/p-2/t4-,6-,7-,8-/m1/s1', ' InChI=1S/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18)/p-2/t4-,6-,7-,8-/m1/s1', ' InChI=1S/C9H15N2O15P3/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H,10,12,15)(H2,16,17,18)/p-4/t4-,6-,7-,8-/m1/s1']	['InChI=1/C9H13N2O9P/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,18)/p-2/t4-,6-,7-,8-/m1/s1/i7H,8H/fC9H11N2O9P/h10H/q-2', ' InChI=1/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18)/p-3/t4-,6-,7-,8-/m1/s1/i7H,8H/fC9H11N2O12P2/h10H/q-3', ' InChI=1/C9H15N2O15P3/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H,10,12,15)(H2,16,17,18)/p-4/t4-,6-,7-,8-/m1/s1/i7H,8H/fC9H11N2O15P3/h10H/q-4']	['[1H29:C8]HResonance + [1H29:1H28]J3HH', ' [1H33:C8]HResonance + [1H33:1H32]J3HH', ' [1H37:C8]HResonance + [1H37:1H36]J3HH']	doublets	1	['InChI=1/C9H13N2O9P/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,18)/p-2/t4-,6-,7-,8-/m1/s1/fC9H11N2O9P/h10H/q-2', ' InChI=1/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18)/p-3/t4-,6-,7-,8-/m1/s1/fC9H11N2O12P2/h10H/q-3', ' InChI=1/C9H15N2O15P3/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H,10,12,15)(H2,16,17,18)/p-4/t4-,6-,7-,8-/m1/s1/fC9H11N2O15P3/h10H/q-4']	1	integer
UXP-1'_2	['InChI=1S/C9H13N2O9P/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,18)/p-2/t4-,6-,7-,8-/m1/s1', ' InChI=1S/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18)/p-2/t4-,6-,7-,8-/m1/s1', ' InChI=1S/C9H15N2O15P3/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H,10,12,15)(H2,16,17,18)/p-4/t4-,6-,7-,8-/m1/s1']	['InChI=1/C9H13N2O9P/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,18)/p-2/t4-,6-,7-,8-/m1/s1/i7H,8H/fC9H11N2O9P/h10H/q-2', ' InChI=1/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18)/p-3/t4-,6-,7-,8-/m1/s1/i7H,8H/fC9H11N2O12P2/h10H/q-3', ' InChI=1/C9H15N2O15P3/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H,10,12,15)(H2,16,17,18)/p-4/t4-,6-,7-,8-/m1/s1/i7H,8H/fC9H11N2O15P3/h10H/q-4']	['[1H29:C8]HResonance + [1H29:1H28]J3HH', ' [1H33:C8]HResonance + [1H33:1H32]J3HH', ' [1H37:C8]HResonance + [1H37:1H36]J3HH']	doublets	1	['InChI=1/C9H13N2O9P/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,18)/p-2/t4-,6-,7-,8-/m1/s1/fC9H11N2O9P/h10H/q-2', ' InChI=1/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18)/p-3/t4-,6-,7-,8-/m1/s1/fC9H11N2O12P2/h10H/q-3', ' InChI=1/C9H15N2O15P3/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H,10,12,15)(H2,16,17,18)/p-4/t4-,6-,7-,8-/m1/s1/fC9H11N2O15P3/h10H/q-4']	2	integer
UXP-5_1	['InChI=1S/C9H13N2O9P/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,18)/p-2/t4-,6-,7-,8-/m1/s1', ' InChI=1S/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18)/p-2/t4-,6-,7-,8-/m1/s1', ' InChI=1S/C9H15N2O15P3/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H,10,12,15)(H2,16,17,18)/p-4/t4-,6-,7-,8-/m1/s1']	['InChI=1/C9H13N2O9P/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,18)/p-2/t4-,6-,7-,8-/m1/s1/i1H,2H/fC9H11N2O9P/h10H/q-2', ' InChI=1/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18)/p-3/t4-,6-,7-,8-/m1/s1/i1H,2H/fC9H11N2O12P2/h10H/q-3', ' InChI=1/C9H15N2O15P3/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H,10,12,15)(H2,16,17,18)/p-4/t4-,6-,7-,8-/m1/s1/i1H,2H/fC9H11N2O15P3/h10H/q-4']	['[1H22:C1]HResonance + [1H22:1H23]J3HH', ' [1H26:C1]HResonance + [1H26:1H27]J3HH', ' [1H30:C1]HResonance + [1H30:1H31]J3HH']	doublets	1	['InChI=1/C9H13N2O9P/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,18)/p-2/t4-,6-,7-,8-/m1/s1/fC9H11N2O9P/h10H/q-2', ' InChI=1/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18)/p-3/t4-,6-,7-,8-/m1/s1/fC9H11N2O12P2/h10H/q-3', ' InChI=1/C9H15N2O15P3/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H,10,12,15)(H2,16,17,18)/p-4/t4-,6-,7-,8-/m1/s1/fC9H11N2O15P3/h10H/q-4']	1	integer
UXP-5_2	['InChI=1S/C9H13N2O9P/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,18)/p-2/t4-,6-,7-,8-/m1/s1', ' InChI=1S/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18)/p-2/t4-,6-,7-,8-/m1/s1', ' InChI=1S/C9H15N2O15P3/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H,10,12,15)(H2,16,17,18)/p-4/t4-,6-,7-,8-/m1/s1']	['InChI=1/C9H13N2O9P/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,18)/p-2/t4-,6-,7-,8-/m1/s1/i1H,2H/fC9H11N2O9P/h10H/q-2', ' InChI=1/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18)/p-3/t4-,6-,7-,8-/m1/s1/i1H,2H/fC9H11N2O12P2/h10H/q-3', ' InChI=1/C9H15N2O15P3/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H,10,12,15)(H2,16,17,18)/p-4/t4-,6-,7-,8-/m1/s1/i1H,2H/fC9H11N2O15P3/h10H/q-4']	['[1H22:C1]HResonance + [1H22:1H23]J3HH', ' [1H26:C1]HResonance + [1H26:1H27]J3HH', ' [1H30:C1]HResonance + [1H30:1H31]J3HH']	doublets	1	['InChI=1/C9H13N2O9P/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,18)/p-2/t4-,6-,7-,8-/m1/s1/fC9H11N2O9P/h10H/q-2', ' InChI=1/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18)/p-3/t4-,6-,7-,8-/m1/s1/fC9H11N2O12P2/h10H/q-3', ' InChI=1/C9H15N2O15P3/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H,10,12,15)(H2,16,17,18)/p-4/t4-,6-,7-,8-/m1/s1/fC9H11N2O15P3/h10H/q-4']	2	integer
UXP-5_3	['InChI=1S/C9H13N2O9P/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,18)/p-2/t4-,6-,7-,8-/m1/s1', ' InChI=1S/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18)/p-2/t4-,6-,7-,8-/m1/s1', ' InChI=1S/C9H15N2O15P3/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H,10,12,15)(H2,16,17,18)/p-4/t4-,6-,7-,8-/m1/s1']	['InChI=1/C9H13N2O9P/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,18)/p-2/t4-,6-,7-,8-/m1/s1/i1H,2H/fC9H11N2O9P/h10H/q-2', ' InChI=1/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18)/p-3/t4-,6-,7-,8-/m1/s1/i1H,2H/fC9H11N2O12P2/h10H/q-3', ' InChI=1/C9H15N2O15P3/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H,10,12,15)(H2,16,17,18)/p-4/t4-,6-,7-,8-/m1/s1/i1H,2H/fC9H11N2O15P3/h10H/q-4']	['[1H22:C1]HResonance + [1H22:1H23]J3HH', ' [1H26:C1]HResonance + [1H26:1H27]J3HH', ' [1H30:C1]HResonance + [1H30:1H31]J3HH']	doublets	1	['InChI=1/C9H13N2O9P/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,18)/p-2/t4-,6-,7-,8-/m1/s1/fC9H11N2O9P/h10H/q-2', ' InChI=1/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18)/p-3/t4-,6-,7-,8-/m1/s1/fC9H11N2O12P2/h10H/q-3', ' InChI=1/C9H15N2O15P3/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H,10,12,15)(H2,16,17,18)/p-4/t4-,6-,7-,8-/m1/s1/fC9H11N2O15P3/h10H/q-4']	3	integer
UXP-5_4	['InChI=1S/C9H13N2O9P/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,18)/p-2/t4-,6-,7-,8-/m1/s1', ' InChI=1S/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18)/p-2/t4-,6-,7-,8-/m1/s1', ' InChI=1S/C9H15N2O15P3/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H,10,12,15)(H2,16,17,18)/p-4/t4-,6-,7-,8-/m1/s1']	['InChI=1/C9H13N2O9P/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,18)/p-2/t4-,6-,7-,8-/m1/s1/i1H,2H/fC9H11N2O9P/h10H/q-2', ' InChI=1/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18)/p-3/t4-,6-,7-,8-/m1/s1/i1H,2H/fC9H11N2O12P2/h10H/q-3', ' InChI=1/C9H15N2O15P3/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H,10,12,15)(H2,16,17,18)/p-4/t4-,6-,7-,8-/m1/s1/i1H,2H/fC9H11N2O15P3/h10H/q-4']	['[1H22:C1]HResonance + [1H22:1H23]J3HH', ' [1H26:C1]HResonance + [1H26:1H27]J3HH', ' [1H30:C1]HResonance + [1H30:1H31]J3HH']	doublets	1	['InChI=1/C9H13N2O9P/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,18)/p-2/t4-,6-,7-,8-/m1/s1/fC9H11N2O9P/h10H/q-2', ' InChI=1/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18)/p-3/t4-,6-,7-,8-/m1/s1/fC9H11N2O12P2/h10H/q-3', ' InChI=1/C9H15N2O15P3/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H,10,12,15)(H2,16,17,18)/p-4/t4-,6-,7-,8-/m1/s1/fC9H11N2O15P3/h10H/q-4']	4	integer
UXP-5_5	['InChI=1S/C9H13N2O9P/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,18)/p-2/t4-,6-,7-,8-/m1/s1', ' InChI=1S/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18)/p-2/t4-,6-,7-,8-/m1/s1', ' InChI=1S/C9H15N2O15P3/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H,10,12,15)(H2,16,17,18)/p-4/t4-,6-,7-,8-/m1/s1']	['InChI=1/C9H13N2O9P/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,18)/p-2/t4-,6-,7-,8-/m1/s1/i1H,2H/fC9H11N2O9P/h10H/q-2', ' InChI=1/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18)/p-3/t4-,6-,7-,8-/m1/s1/i1H,2H/fC9H11N2O12P2/h10H/q-3', ' InChI=1/C9H15N2O15P3/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H,10,12,15)(H2,16,17,18)/p-4/t4-,6-,7-,8-/m1/s1/i1H,2H/fC9H11N2O15P3/h10H/q-4']	['[1H22:C1]HResonance + [1H22:1H23]J3HH', ' [1H26:C1]HResonance + [1H26:1H27]J3HH', ' [1H30:C1]HResonance + [1H30:1H31]J3HH']	doublets	1	['InChI=1/C9H13N2O9P/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,18)/p-2/t4-,6-,7-,8-/m1/s1/fC9H11N2O9P/h10H/q-2', ' InChI=1/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18)/p-3/t4-,6-,7-,8-/m1/s1/fC9H11N2O12P2/h10H/q-3', ' InChI=1/C9H15N2O15P3/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H,10,12,15)(H2,16,17,18)/p-4/t4-,6-,7-,8-/m1/s1/fC9H11N2O15P3/h10H/q-4']	5	integer
UXP-5_6	['InChI=1S/C9H13N2O9P/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,18)/p-2/t4-,6-,7-,8-/m1/s1', ' InChI=1S/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18)/p-2/t4-,6-,7-,8-/m1/s1', ' InChI=1S/C9H15N2O15P3/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H,10,12,15)(H2,16,17,18)/p-4/t4-,6-,7-,8-/m1/s1']	['InChI=1/C9H13N2O9P/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,18)/p-2/t4-,6-,7-,8-/m1/s1/i1H,2H/fC9H11N2O9P/h10H/q-2', ' InChI=1/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18)/p-3/t4-,6-,7-,8-/m1/s1/i1H,2H/fC9H11N2O12P2/h10H/q-3', ' InChI=1/C9H15N2O15P3/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H,10,12,15)(H2,16,17,18)/p-4/t4-,6-,7-,8-/m1/s1/i1H,2H/fC9H11N2O15P3/h10H/q-4']	['[1H22:C1]HResonance + [1H22:1H23]J3HH', ' [1H26:C1]HResonance + [1H26:1H27]J3HH', ' [1H30:C1]HResonance + [1H30:1H31]J3HH']	doublets	1	['InChI=1/C9H13N2O9P/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,18)/p-2/t4-,6-,7-,8-/m1/s1/fC9H11N2O9P/h10H/q-2', ' InChI=1/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18)/p-3/t4-,6-,7-,8-/m1/s1/fC9H11N2O12P2/h10H/q-3', ' InChI=1/C9H15N2O15P3/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H,10,12,15)(H2,16,17,18)/p-4/t4-,6-,7-,8-/m1/s1/fC9H11N2O15P3/h10H/q-4']	6	integer
UXP-6_1	['InChI=1S/C9H13N2O9P/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,18)/p-2/t4-,6-,7-,8-/m1/s1', ' InChI=1S/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18)/p-2/t4-,6-,7-,8-/m1/s1', ' InChI=1S/C9H15N2O15P3/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H,10,12,15)(H2,16,17,18)/p-4/t4-,6-,7-,8-/m1/s1']	['InChI=1/C9H13N2O9P/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,18)/p-2/t4-,6-,7-,8-/m1/s1/i1H,2H/fC9H11N2O9P/h10H/q-2', ' InChI=1/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18)/p-3/t4-,6-,7-,8-/m1/s1/i1H,2H/fC9H11N2O12P2/h10H/q-3', ' InChI=1/C9H15N2O15P3/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H,10,12,15)(H2,16,17,18)/p-4/t4-,6-,7-,8-/m1/s1/i1H,2H/fC9H11N2O15P3/h10H/q-4']	['[1H23:C2]HResonance + [1H23:1H22]J3HH', ' [1H27:C2]HResonance + [1H27:1H26]J3HH', ' [1H31:C2]HResonance + [1H31:1H30]J3HH']	doublets	1	['InChI=1/C9H13N2O9P/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,18)/p-2/t4-,6-,7-,8-/m1/s1/fC9H11N2O9P/h10H/q-2', ' InChI=1/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18)/p-3/t4-,6-,7-,8-/m1/s1/fC9H11N2O12P2/h10H/q-3', ' InChI=1/C9H15N2O15P3/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H,10,12,15)(H2,16,17,18)/p-4/t4-,6-,7-,8-/m1/s1/fC9H11N2O15P3/h10H/q-4']	1	integer
UXP-6_2	['InChI=1S/C9H13N2O9P/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,18)/p-2/t4-,6-,7-,8-/m1/s1', ' InChI=1S/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18)/p-2/t4-,6-,7-,8-/m1/s1', ' InChI=1S/C9H15N2O15P3/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H,10,12,15)(H2,16,17,18)/p-4/t4-,6-,7-,8-/m1/s1']	['InChI=1/C9H13N2O9P/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,18)/p-2/t4-,6-,7-,8-/m1/s1/i1H,2H/fC9H11N2O9P/h10H/q-2', ' InChI=1/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18)/p-3/t4-,6-,7-,8-/m1/s1/i1H,2H/fC9H11N2O12P2/h10H/q-3', ' InChI=1/C9H15N2O15P3/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H,10,12,15)(H2,16,17,18)/p-4/t4-,6-,7-,8-/m1/s1/i1H,2H/fC9H11N2O15P3/h10H/q-4']	['[1H23:C2]HResonance + [1H23:1H22]J3HH', ' [1H27:C2]HResonance + [1H27:1H26]J3HH', ' [1H31:C2]HResonance + [1H31:1H30]J3HH']	doublets	1	['InChI=1/C9H13N2O9P/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,18)/p-2/t4-,6-,7-,8-/m1/s1/fC9H11N2O9P/h10H/q-2', ' InChI=1/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18)/p-3/t4-,6-,7-,8-/m1/s1/fC9H11N2O12P2/h10H/q-3', ' InChI=1/C9H15N2O15P3/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H,10,12,15)(H2,16,17,18)/p-4/t4-,6-,7-,8-/m1/s1/fC9H11N2O15P3/h10H/q-4']	2	integer
Val-B_1	InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t4-/m0/s1	InChI=1/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t4-/m0/s1/i1H3,3H/t3-,4-/f/h6H/i/tM	['[1H9', '1H10', '1H11:C1]HResonance + [1H9', '1H10', '1H11:1H15]J3HH']	doublets	3	InChI=1/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t4-/m0/s1/f/h6H	1	integer
Val-B_2	InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t4-/m0/s1	InChI=1/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t4-/m0/s1/i1H3,3H/t3-,4-/f/h6H/i/tM	['[1H9', '1H10', '1H11:C1]HResonance + [1H9', '1H10', '1H11:1H15]J3HH']	doublets	3	InChI=1/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t4-/m0/s1/f/h6H	2	integer
aGlc_1	InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m1/s1	InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m1/s1/i5H,6H	[1H19:C6]HResonance + [1H19:1H18]J3HH	doublets	0.35	InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m1/s1	1	integer
aGlc_2	InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m1/s1	InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m1/s1/i5H,6H	[1H19:C6]HResonance + [1H19:1H18]J3HH	doublets	0.35	InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m1/s1	2	integer
bGlc 13C-A_1	InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1	InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1/i5H,6+1H	[1H19:C6]HResonance + [1H19:13C6]J1CH + [1H19:1H18]J3HH	doublets	0.325	InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1	1	integer
bGlc 13C-A_2	InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1	InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1/i5H,6+1H	[1H19:C6]HResonance + [1H19:13C6]J1CH + [1H19:1H18]J3HH	doublets	0.325	InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1	2	integer
bGlc 13C-A_3	InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1	InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1/i5H,6+1H	[1H19:C6]HResonance + [1H19:13C6]J1CH + [1H19:1H18]J3HH	doublets	0.325	InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1	3	integer
bGlc_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
m-Ins-1,3_1	InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3-,4+,5-,6-	InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3-,4+,5-,6-/i1H,2H,3H,5H,6H/m0/s1	[1H13:C1+1H17:C5]HResonance + [1H13:1H14]J3HH + [1H13:1H15]J3HH + [1H17:1H15]J3HH + [1H17:1H18]J3HH	dd	2	InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3-,4+,5-,6-	1	integer
m-Ins-1,3_2	InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3-,4+,5-,6-	InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3-,4+,5-,6-/i1H,2H,3H,5H,6H/m0/s1	[1H13:C1+1H17:C5]HResonance + [1H13:1H14]J3HH + [1H13:1H15]J3HH + [1H17:1H15]J3HH + [1H17:1H18]J3HH	dd	2	InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3-,4+,5-,6-	2	integer
m-Ins-1,3_3	InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3-,4+,5-,6-	InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3-,4+,5-,6-/i1H,2H,3H,5H,6H/m0/s1	[1H13:C1+1H17:C5]HResonance + [1H13:1H14]J3HH + [1H13:1H15]J3HH + [1H17:1H15]J3HH + [1H17:1H18]J3HH	dd	2	InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3-,4+,5-,6-	3	integer
m-Ins-1,3_4	InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3-,4+,5-,6-	InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3-,4+,5-,6-/i1H,2H,3H,5H,6H/m0/s1	[1H13:C1+1H17:C5]HResonance + [1H13:1H14]J3HH + [1H13:1H15]J3HH + [1H17:1H15]J3HH + [1H17:1H18]J3HH	dd	2	InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3-,4+,5-,6-	4	integer
m-Ins-2?_1	InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3-,4+,5-,6-	InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3-,4+,5-,6-/i1H,2H,3H/t1-,2+,3-,4-,5+,6+	[1H15:C3]HResonance + [1H15:1H13]J3HH + [1H15:1H17]J3HH	triplet	1	InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3-,4+,5-,6-	1	integer
m-Ins-2?_2	InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3-,4+,5-,6-	InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3-,4+,5-,6-/i1H,2H,3H/t1-,2+,3-,4-,5+,6+	[1H15:C3]HResonance + [1H15:1H13]J3HH + [1H15:1H17]J3HH	triplet	1	InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3-,4+,5-,6-	2	integer
m-Ins-2?_3	InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3-,4+,5-,6-	InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3-,4+,5-,6-/i1H,2H,3H/t1-,2+,3-,4-,5+,6+	[1H15:C3]HResonance + [1H15:1H13]J3HH + [1H15:1H17]J3HH	triplet	1	InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3-,4+,5-,6-	3	integer
pyruvate-3_1	InChI=1S/C3H4O3/c1-2(4)3(5)6/h1H3,(H,5,6)/p-1	InChI=1/C3H4O3/c1-2(4)3(5)6/h1H3,(H,5,6)/p-1/i1H3/fC3H3O3/q-1	['[1H7', '1H8', '1H9:C1]HResonance']	singlet	3	InChI=1S/C3H4O3/c1-2(4)3(5)6/h1H3,(H,5,6)/p-1	1	integer
METABOLITES_END
EXTENDED_NMR_METABOLITE_DATA_START
metabolite_name	chemical_shift	peak_area	peak_height	peak_width	sample_id
AXP-1' 13C-A_1	6.000059062069679	86.85767440255876	0.6227483060194797	4.671983443487069	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
AXP-1' 13C-A_1	6.002040585747866	115.9840000431672	0.6759355272746767	6.07817747585404	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
AXP-1' 13C-A_1	5.992409716203292	165.7658919389617	1.071443673412114	5.017649008896054	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
AXP-1' 13C-A_1	6.000862618397901	29.08728646567724	0.2969375964725186	3.49101467221998	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
AXP-1' 13C-A_1	5.992546686601948	96.35813201145608	0.5907962778468054	6.460103691827976	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
AXP-1' 13C-A_1	6.001499310652205	126.7679118017938	0.8027273759407182	5.164549746857742	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
AXP-1' 13C-A_1	5.992340318903946	157.4757920013534	1.150036629175224	4.28846037627489	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
AXP-1' 13C-A_1	5.992130678898308	269.7916605078507	2.230645741814565	4.009866355465812	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
AXP-1' 13C-A_1	6.000892062537656	481.1073654403422	2.52118906488476	6.087659845231374	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
AXP-1' 13C-A_1	5.992201025239097	206.2651346992303	1.249663708943108	5.150920772396396	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
AXP-1' 13C-A_1	5.992219400595931	138.2427756813574	1.014065148822156	4.412926817718273	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
AXP-1' 13C-A_1	6.000633864164972	322.8921428876012	1.42968541034265	7.707313024902366	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
AXP-1' 13C-A_1	6.000825680526917	119.235598683151	1.22596794609214	3.586485425061869	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
AXP-1' 13C-A_1	6.00011	342.525791	2.14	6.893697	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
AXP-1' 13C-A_1	6.001229230756843	236.1780765441242	1.313384444652442	6.190312450535354	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
AXP-1' 13C-A_2	6.004528831056098	77.89270625720351	0.9886455824240363	2.845207234866971	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
AXP-1' 13C-B_1	6.274720200655623	93.47582849452914	0.3833807905712164	11.12704147169538	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
AXP-1' 13C-B_1	6.277343159893459	142.0907230583867	0.5156110218703918	10.38483280610055	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
AXP-1' 13C-B_1	6.27659497803595	142.8783942160171	0.5331461647293368	11.05858878668985	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
AXP-1' 13C-B_1	6.27514	57.50710756134083	0.25	10.97	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
AXP-1' 13C-B_1	6.275276661309639	73.4017239672915	0.2802676419222351	10.93518375427227	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
AXP-1' 13C-B_1	6.275642191210443	157.6961871880774	0.485168267762759	11.34121976628594	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
AXP-1' 13C-B_1	6.275913053249488	183.6899387172941	0.7085864734812006	10.6149403144107	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
AXP-1' 13C-B_1	6.276099103586448	234.2702634743032	0.9932700921558081	11.2418955068253	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
AXP-1' 13C-B_1	6.275561891335601	489.9674038582771	2.131424060590041	10.95688394633784	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
AXP-1' 13C-B_1	6.277166095320657	196.8189622468913	0.8281010106044482	10.6277536302337	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
AXP-1' 13C-B_1	6.275809669739007	155.2679049816522	0.5952950185514281	12.19086417354877	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
AXP-1' 13C-B_1	6.2756019541819	249.4070710800419	1.018069668640917	11.67672361335298	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
AXP-1' 13C-B_1	6.276516435897018	225.5164560049534	1.033521411830298	10.40036297573879	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
AXP-1' 13C-B_1	6.274891642282957	507.0726202629842	1.984241474795258	11.99453709058285	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
AXP-1' 13C-B_1	6.2769624986276	267.8970458959853	1.158167317318923	9.934331632959417	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
AXP-1'_1	6.129695904373486	94.16672684287246	1.734519663745608	2.011229809447695	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
AXP-1'_1	6.131639446921556	92.7095373540717	1.520182531852815	2.127941269587043	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
AXP-1'_1	6.131381336125416	165.6712382977046	2.801191164500151	2.096633168104239	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
AXP-1'_1	6.131527767480544	70.97353208819227	1.199933864995088	2.086359682831775	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
AXP-1'_1	6.131532027818474	123.24119535207	1.915371792047179	2.245090107252535	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
AXP-1'_1	6.13114944937921	141.3335732643067	2.348953884622043	2.137545881601105	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
AXP-1'_1	6.13141695929624	187.3895359570287	3.367173224976752	1.995292041086443	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
AXP-1'_1	6.130852052576737	252.7288482616979	4.498483014812809	2.071287097737831	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
AXP-1'_1	6.130588537213059	438.0587753899525	7.040432568818037	2.19867800004147	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
AXP-1'_1	6.131056836734779	152.3186949057814	2.612346930088083	2.072683393933459	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
AXP-1'_1	6.131070795462077	158.4967726018954	2.22328207170662	2.422551999147919	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
AXP-1'_1	6.130983732967269	196.864076489351	3.111217366621188	2.208130857727616	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
AXP-1'_1	6.13082847347185	302.6059228890713	4.81209108747965	2.191298336770176	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
AXP-1'_1	6.130783433374972	184.5798104396603	2.959820425158753	2.180609990456051	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
AXP-1'_1	6.13096538392618	165.4277587763141	2.856332467346537	2.050438371571235	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
AXP-1'_2	6.134939494963934	83.34396410043632	1.179673047356024	2.51646125710617	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
AXP-1'_2	6.140437381459501	215.5337546713212	2.190214482716724	3.769007961774257	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
AXP-1'_2	6.139939228563806	411.8286368074893	4.05377773424468	3.85202040829609	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
AXP-1'_2	6.140570044512375	174.2174812456115	1.754141609758823	3.635195713555322	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
AXP-1'_2	6.140982233497447	245.0847605617159	2.533534571007145	3.395602973323054	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
AXP-1'_2	6.140428890759036	357.5152587350875	3.426616528909353	3.640491640665394	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
AXP-1'_2	6.141146178307332	314.5648534455349	4.225586616859563	2.627697655694218	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
AXP-1'_2	6.136762658244394	189.4496008498553	2.907998455486829	2.301177090424363	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
AXP-1'_2	6.140328576757152	620.7540574948047	8.83385627009732	2.560378178947251	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
AXP-1'_2	6.140025341854764	362.1006760038646	3.550432972221241	3.720023804443754	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
AXP-1'_2	6.139404531767553	268.0585797786896	3.197541293612577	3.858628363372247	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
AXP-1'_2	6.14009190161678	232.4675379970918	3.709773641763078	2.955254381303713	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
AXP-1'_2	6.140428347771662	565.3801304336687	6.312172315603881	3.162045779222859	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
AXP-1'_2	6.139805670211059	414.6230925433069	3.833111098640823	3.875429217115348	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
AXP-1'_2	6.139923632370931	348.1855209838985	3.675200278054813	3.605360763315922	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
AXP-1'_3	6.138984228713955	174.262114361423	2.236202517467949	3.045500961545124	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
AXP-1'_3	6.14794975961146	130.0024180213899	1.418625996242702	3.205137818274836	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
AXP-1'_3	6.147840296506108	201.5088888668995	2.655026709331979	2.647245878575601	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
AXP-1'_3	6.148224714108027	62.29895469525854	0.8620057587432179	2.676321614012174	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
AXP-1'_3	6.148139016106176	98.11990815547468	1.08859783718584	3.119847818896379	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
AXP-1'_3	6.147466563430731	171.7158755308274	1.904376793578253	3.130916598904558	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
AXP-1'_3	6.147937790680358	162.5072976343464	1.80065608010096	2.988831864643308	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
AXP-1'_3	6.139120702532079	597.2490514143204	5.948172481671217	3.540868796449826	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
AXP-1'_3	6.146925151268357	314.9615730582897	4.065945646172803	2.702881237720658	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
AXP-1'_3	6.147258831867785	186.1377804834966	2.155471713367346	3.00559573268754	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
AXP-1'_3	6.147197487886801	246.9772059946797	2.910170872086575	2.982220817860143	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
AXP-1'_3	6.147098980929645	225.3165648138693	2.719446824364738	3.000900390071109	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
AXP-1'_3	6.147187650667305	308.5233562362685	3.980949172881342	2.67611738289734	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
AXP-1'_3	6.14718981797597	176.6562795043711	1.959897330701605	3.068710822293868	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
AXP-1'_3	6.147379922907487	162.6052776534937	2.049554724922285	2.762953665438271	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
AXP-1'_4	6.145923534782535	151.6407168947468	1.805292964040137	3.088219901172021	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
AXP-1'_4	6.141062196763154	112.3913854905968	2.484991225811827	1.639182842933312	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
AXP-1'_5	6.147156905197223	490.3406140756214	6.978631300073623	2.519151035970657	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
AXP-2_1	8.252009465538269	461.42657302557	4.843250529457298	3.608387250141782	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
AXP-2_1	8.253129698971742	419.5521495412679	4.309462442959378	3.558874524682853	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
AXP-2_1	8.252787414946484	628.4788468056789	6.818371022887331	3.440397814320402	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
AXP-2_1	8.25286529728618	384.2597646933987	3.211578348031082	3.938871010835451	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
AXP-2_1	8.252657492763829	428.9297941462228	4.557835061900159	3.248816330384719	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
AXP-2_1	8.252574762453653	557.0108758524696	6.147148101271641	3.34073144703754	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
AXP-2_1	8.252123899767454	640.3225901695157	8.189227856445898	2.599210076043684	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
AXP-2_1	8.251089889230515	723.4410949758117	11.72542451256904	2.239633205154811	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
AXP-2_1	8.250194223235853	897.1488989538611	15.77351514501924	1.949831741206986	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
AXP-2_1	8.251450721538689	299.2028331409126	6.069879878319902	1.808937157882685	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
AXP-2_1	8.251542348151021	320.0425311638945	4.981980197005617	2.213145990173985	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
AXP-2_1	8.251251029907127	342.7467824681286	7.00205546303442	1.797805723986436	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
AXP-2_1	8.250827202099545	599.900785924509	10.49923582151006	1.973498493575699	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
AXP-2_1	8.250955717458766	506.9861606552332	8.581765414322813	2.090873194475841	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
AXP-2_1	8.252091121113429	491.8736859414482	7.411517374179152	2.722452218179405	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
AXP-2_2	8.253617202133015	472.0160068162779	8.08069754170232	2.153572226460987	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
AXP-2_2	8.252660789981194	285.7565569665034	5.182944953120215	2.221365066353206	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
AXP-2_2	8.254033128111391	192.3743939409327	3.454539914874804	2.14825811390808	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
AXP-2_2	8.254050627098442	220.245417394307	3.946847156936506	2.213663836057683	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
AXP-2_2	8.253668882044513	210.2951953994787	4.439886665502857	1.923053145968327	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
AXP-2_2	8.253375875073234	292.1771927952672	4.967348137351957	2.344388444080509	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
AXP-2_2	8.253640763602268	111.1112566584391	2.599926633945425	1.747541765558609	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
AXP-8_1	8.536664352302992	159.7257224669648	3.214966185657784	1.848894455591061	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
AXP-8_1	8.537861140915476	148.4748871353598	2.935128448448662	1.836612742673587	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
AXP-8_1	8.538528917777032	421.7663389563915	5.42006064863093	2.974072410233047	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
AXP-8_1	8.537179713832646	88.5792235321774	1.667080733048772	1.882036274466945	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
AXP-8_1	8.537990009867316	131.8159034565274	2.490443623069522	1.897656880780216	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
AXP-8_1	8.537313120823404	171.8907350042502	3.662818175782174	1.742806580037933	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
AXP-8_1	8.537541217385467	180.8346330805545	3.838633136910122	1.724526850710827	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
AXP-8_1	8.5368054814209	767.5889404036734	12.87079232977727	2.144424011978737	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
AXP-8_1	8.536242744810492	483.7090689901094	9.119173975075384	1.899232346561105	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
AXP-8_1	8.537231086924814	214.04185395801	4.287817350775602	1.799213628926082	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
AXP-8_1	8.537176721984874	237.4310818214043	4.521300527976149	1.936090985116782	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
AXP-8_1	8.537145001502779	256.4611242014972	5.451366842044308	1.749345300808444	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
AXP-8_1	8.536670729932299	395.0034474776678	7.917304188464863	1.788752067355549	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
AXP-8_1	8.53683255952908	297.9272962213938	5.376270848521844	1.995770301494801	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
AXP-8_1	8.537084305009461	261.5503238167034	5.331190117415516	1.783779881647107	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
AXP-8_2	8.542102210411775	154.8404160405245	2.269997657745488	2.451916432745225	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
AXP-8_2	8.542519626338612	133.1897882847929	1.916476528246353	2.470953119436811	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
AXP-8_2	8.5412726747424	69.51887934366688	0.9867072267512458	2.514278846764601	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
AXP-8_2	8.543690490817283	77.563747349408	1.246981388965776	2.327196392715229	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
AXP-8_2	8.54251152477853	197.1713604874701	2.611385892212897	2.651853747531699	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
AXP-8_2	8.541836193719915	120.0258394034822	1.714816069306625	2.483454771045459	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
AXP-8_2	8.539209737058078	305.2721088915777	5.208856025632292	2.129584638830404	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
AXP-8_2	8.539731647673289	296.4670744434437	4.044232579310848	2.592523664365523	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
AXP-8_2	8.541470663819108	222.9796702070272	3.111809790917256	2.541475558022926	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
AXP-8_2	8.54083740261159	252.0060890787692	3.611024590125921	2.522922196015514	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
AXP-8_2	8.541927576195114	271.3739290821498	3.651357655048311	2.593251927121292	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
AXP-8_2	8.539733737532043	269.4825302262851	3.99452957146221	2.44461707523018	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
AXP-8_2	8.541030273589563	203.5252443092902	2.793186782662302	2.582424671349239	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
AXP-8_2	8.542008290543544	158.7278232365341	2.477505925077167	2.326864495229227	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Ace-2_1	1.912961380491192	29.26321673461245	0.3520051981480349	2.732172076550926	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Ace-2_1	1.909064249187359	309.8452869167699	7.528674540114684	1.445936814116966	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Ace-2_1	1.908993879641254	1236.619490451107	30.46317969222583	1.450912667764929	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Ace-2_1	1.908730723316362	355.7061564204158	7.678580667327847	1.62207917889641	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Ace-2_1	1.908797032012606	474.2784168304454	11.02072696478001	1.5325748133855	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Ace-2_1	1.908556618578086	421.9038519130102	10.10533771382472	1.473465675808394	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Ace-2_1	1.908846848744416	663.7434414466536	17.49318850852328	1.34227395172659	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Ace-2_1	1.909069165662782	441.0524026543168	9.976888718815593	1.569138976971864	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Ace-2_1	1.908974977911768	3284.911952546018	72.3617675400115	1.583964807530021	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Ace-2_1	1.908638714448271	1099.179905482667	26.80713551206041	1.446929515965242	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Ace-2_1	1.90859261932645	1273.942336092672	27.03746022371757	1.688422953875572	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Ace-2_1	1.908646597175009	973.5918372119402	24.49797236929083	1.424863880137412	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Ace-2_1	1.908802747266734	608.8833360311393	14.29384393703545	1.495743009471931	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Ace-2_1	1.90872	977.382941	21.413071	1.578529	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Ace-2_1	1.908628614602586	566.3431758818161	13.66384124924294	1.454056117644581	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Ala-3_1	1.461931870463921	608.3022103493759	10.58720858634626	1.952473622670395	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Ala-3_1	1.463531267340336	249.8660639692585	4.765604265353622	1.782031070020575	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Ala-3_1	1.463473817956054	832.8435917989184	15.24580549801395	1.856351973207816	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Ala-3_1	1.463176771814157	203.3107728408089	3.206432427723982	2.092351210913428	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Ala-3_1	1.463258282175653	216.6740051593796	4.183155852635924	1.817580930932314	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Ala-3_1	1.463039807146494	336.315954663427	5.881523378662636	1.910012787613204	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Ala-3_1	1.463320972432482	427.2432866961614	8.926975895677813	1.669943765102429	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Ala-3_1	1.463568593632545	1359.894152621334	20.74095272121463	2.171379797981878	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Ala-3_1	1.463446543147626	1281.368717746559	21.85439902525038	1.961155756195018	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Ala-3_1	1.463142128028809	495.7335044186	9.622142228340595	1.782783433379511	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Ala-3_1	1.463103012971014	724.4214995772718	11.64906534258022	2.118322872593801	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Ala-3_1	1.463155468543671	487.9298356809028	9.110490261805808	1.815231176785487	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Ala-3_1	1.46330957591301	735.0968106620337	13.05388643009037	1.906416064690742	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Ala-3_1	1.463215084426279	814.3130032500325	12.64908715272495	2.126849451057181	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Ala-3_1	1.463099751271247	427.5005349195339	7.659584961804804	1.862819436368221	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Ala-3_2	1.474040140697328	621.7421497407771	10.71775585725521	1.973119275324097	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Ala-3_2	1.475615380879095	286.4473472520305	5.058953896790075	1.901659758262921	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Ala-3_2	1.475626601257362	737.3150652566643	15.24488252014253	1.713848914434409	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Ala-3_2	1.475311897119695	207.3753028684626	3.271046963940927	2.10730366659238	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Ala-3_2	1.475383502088281	266.2543761325995	4.559186209141904	1.975967046697885	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Ala-3_2	1.475179392783753	371.8900423484928	6.192509588462156	1.998755429010922	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Ala-3_2	1.475427179976002	546.6375389118807	9.284325102887962	1.915226694083102	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Ala-3_2	1.475655434148382	1268.509760867748	20.77382931742465	2.085191445663134	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Ala-3_2	1.475556428731639	1266.378443033155	22.00164267160182	1.942970400744705	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Ala-3_2	1.475229386426983	458.7485604256311	9.569698767519151	1.694770091047219	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Ala-3_2	1.475177513580709	733.2732587169746	11.85582435918279	2.126243026427075	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Ala-3_2	1.47521934952494	524.5523004199425	9.647579684069916	1.840477733361026	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Ala-3_2	1.475364505298511	786.5373694278248	13.36127063024809	1.974615147188038	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Ala-3_2	1.475290074250563	791.1736952455087	12.94017526796556	2.061389549743101	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Ala-3_2	1.475194989664829	365.4955028599448	7.580110456194626	1.708183525636051	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Ala13C-A_1	1.341138434586432	9994.169055559845	47.6749613011045	7.816195454530123	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Ala13C-A_1	1.345451149855476	42.65103952872096	0.83645506136717	1.806721925442704	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Ala13C-A_1	1.345491624740543	23.33183032659826	0.5160812185111163	1.567429623981637	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Ala13C-A_1	1.345562861343983	56.98899604075476	0.6414421529687446	2.972899912759293	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Ala13C-A_1	1.345374889166369	30.94817724533009	0.5274104366157046	2.130420728662434	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Ala13C-A_1	1.345069679038323	67.24444540850176	1.234406380991985	1.91418373757398	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Ala13C-A_1	1.345308752350933	37.94694550114918	0.8005697468950953	1.670257217720604	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Ala13C-A_1	1.345696234666736	56.78337487168913	1.006973055503639	2.000588934867985	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Ala13C-A_1	1.345401172339929	130.9623900563676	2.406007219737646	1.915593624878756	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Ala13C-A_1	1.344990739416283	96.33402371576352	0.772680646220248	3.83625353967988	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Ala13C-A_1	1.345264586737067	16.21205037207052	0.3095375534821231	1.838290744556805	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Ala13C-A_1	1.345018889363311	118.9310543601255	2.250713436551017	1.858725468663842	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Ala13C-A_1	1.345177809469833	65.24122764208816	1.307900117952969	1.787549953076018	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Ala13C-A_1	1.345175675193014	156.1493218071529	2.950951817798967	1.8971627008433	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Ala13C-A_1	1.345063540955987	102.1105474958894	1.981429975594	1.828087225159861	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Ala13C-A_2	1.347907164384688	3991.859296179799	15.69687305345926	9.696718665866191	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Ala13C-A_2	1.352610140538324	59.92393676188284	1.295866038216849	1.668059662880071	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Ala13C-A_2	1.352643136075802	78.96887357657313	1.517888991439356	1.851019344611839	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Ala13C-A_2	1.352243127263915	44.83610009662118	0.7885493384091876	1.990879242481724	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Ala13C-A_2	1.352374543511037	63.26252588840563	1.169449934671205	1.904087328295576	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Ala13C-A_2	1.352159513028855	136.5958907746044	2.583595135823581	1.905818180117386	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Ala13C-A_2	1.352440074137966	95.68753196568235	1.895209101076434	1.811383555427968	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Ala13C-A_2	1.352728511618876	106.0845885919536	1.929170153742341	1.91872495292342	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Ala13C-A_2	1.352589109533386	296.9318536854781	5.369989423916095	1.983235094273397	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Ala13C-A_2	1.352246515629593	63.77605247697616	1.253875777867992	1.829149605975056	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Ala13C-A_2	1.352384408352257	42.07916290546063	0.8662251992799894	1.841085709072171	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Ala13C-A_2	1.352145730758339	202.5351749690662	4.11447356039255	1.780487705284921	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Ala13C-A_2	1.352392194121323	133.3595597711722	2.654572330440362	1.822279697122096	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Ala13C-A_2	1.352298807300275	364.798125851613	6.176645171372116	2.072044267853056	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Ala13C-A_2	1.352168161061263	217.8460013619343	4.015086885532809	1.928554313884703	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Ala13C-A_3	1.356270092958541	845.1688610106249	4.266007770751678	6.62541432094639	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Ala13C-A_3	1.357569071315173	32.10545962857544	0.5739921053277819	1.95932909514623	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Ala13C-A_3	1.358778654767964	83.57545478049101	0.9373871135284598	3.91302473103282	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Ala13C-A_3	1.358572584966884	106.7194939646331	0.8586436253651305	4.46757867023667	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Ala13C-A_3	1.359013090165059	74.79477932823228	0.7745039824837393	3.74257936411384	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Ala13C-A_3	1.358334836786475	170.1336462759648	1.820400442133242	3.786566665905851	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Ala13C-A_3	1.358373214880882	104.1416125880169	1.224974843148286	3.974883352364881	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Ala13C-A_3	1.35825981816971	194.2448310211679	1.441825770969755	5.2159997882956	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Ala13C-A_3	1.357290046505231	150.4206186726441	2.467074094111235	2.093213210616573	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Ala13C-A_3	1.357194476033952	98.97167335713748	0.8165158827189269	4.094519132614933	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Ala13C-A_3	1.364221743401509	70.7922513507585	1.080030845944353	2.294928563436479	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Ala13C-A_3	1.358034551290437	268.818971802956	3.020814328052753	3.754801043481665	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Ala13C-A_3	1.358139732397274	145.774913696362	1.765798477979142	3.879862236676679	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Ala13C-A_3	1.357174752708571	183.9686318861709	3.115993764420425	2.078983053070283	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Ala13C-A_3	1.356987783093194	96.51654482456073	1.782990964858799	1.891042817814453	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Ala13C-A_4	1.364555213389693	100.1092490587596	1.621625424145361	2.134554491234937	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Ala13C-A_4	1.364685370132284	99.39258387485081	1.698057458107288	2.065950670100677	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Ala13C-A_4	1.364479033710589	47.83889471725435	0.8320349538731959	2.031524504260747	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Ala13C-A_4	1.36445528811002	72.1904134144087	1.28560372014056	1.993164363211176	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Ala13C-A_4	1.364291061532975	146.017473593324	2.682787404839868	1.937823935387166	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Ala13C-A_4	1.364588319555059	123.2942877687468	2.123299108995604	2.044783862413099	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Ala13C-A_4	1.364888948658111	162.7030081080059	2.505235997291257	2.243424207841488	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Ala13C-A_4	1.359688735913015	166.9306518582109	2.565307889729837	2.270531617244929	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Ala13C-A_4	1.364428779493068	94.44236862656956	1.521324797956542	2.152860672304409	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Ala13C-A_4	1.364280463802898	284.0746419596278	4.768196264885939	2.057849167613929	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Ala13C-A_4	1.364532014106797	187.4919282352768	3.113398867572356	2.100838944366024	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Ala13C-A_4	1.359496684872486	165.1450741440919	2.776636384092813	2.08310386235336	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Ala13C-A_4	1.359346714777685	146.8504045661639	2.136648826177626	2.326883097503833	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Ala13C-A_5	1.371728330648278	23.81126252543215	0.5620729088570003	1.49610468636533	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Ala13C-A_5	1.371758849294704	23.20439224056883	0.5513044212805444	1.509055861182945	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Ala13C-A_5	1.371471257785688	27.10834159637657	0.4196319404796134	2.096017554467585	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Ala13C-A_5	1.371615230675895	20.25453690913218	0.4646000450620569	1.565650233642604	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Ala13C-A_5	1.371345551852096	60.21967191963144	1.216774702431401	1.774413394142228	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Ala13C-A_5	1.371623767565658	30.26625488742772	0.7285338414459304	1.497867211903388	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Ala13C-A_5	1.371819307032495	37.16895973063637	0.7524580472621503	1.76188248721778	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Ala13C-A_5	1.364671703871928	342.2305450201542	5.59835320221254	2.13891884220931	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Ala13C-A_5	1.371354247609695	104.0177877975333	2.131512741246806	1.737870779203021	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Ala13C-A_5	1.371510277073854	55.27640114190064	1.150334147588301	1.70416977095014	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Ala13C-A_5	1.364386781709151	408.0460673916614	6.409216738515876	2.221443131169693	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Ala13C-A_5	1.364280884758742	242.4856223838472	4.24089041359009	2.012918609249673	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Ala13C-A_6	1.371715685414724	113.7787546984904	2.27356957982133	1.776763217957501	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Ala13C-A_6	1.37153127795847	158.2217987369084	2.941300522316879	1.894051242539807	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Ala13C-A_6	1.371394685943971	97.34769353948671	1.944990278768815	1.779545721284686	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Ala13C-B_1	1.56176676540231	30.34965320846442	0.6742500016608293	1.575051592825988	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Ala13C-B_1	1.56175852646021	18.7234806687703	0.4824934943024402	1.384233292224748	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Ala13C-B_1	1.568546971921993	39.80201368398468	0.6683980130467696	2.092873118593743	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Ala13C-B_1	1.561579873406816	15.22213829590505	0.3561569312590126	1.497460551947503	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Ala13C-B_1	1.561220295591119	51.41485515051615	1.07964747167796	1.713178204422892	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Ala13C-B_1	1.561557525353791	27.30562839067004	0.6860418853735613	1.436207395279302	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Ala13C-B_1	1.561814094906166	30.11751116697173	0.6683824522368386	1.585928222539843	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Ala13C-B_1	1.561548688019717	110.3390916599021	2.218889270585944	1.751900249212085	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Ala13C-B_1	1.561332201497284	12.66165327262485	0.3495937242082687	1.303408592494369	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Ala13C-B_1	1.568836985821762	62.79526859304062	0.9763503863891907	2.258205475799815	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Ala13C-B_1	1.561298102299477	108.3971743447455	2.098003272571723	1.815560031185329	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Ala13C-B_1	1.561494443016722	45.15166055103139	1.016691076597199	1.563869185396577	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Ala13C-B_1	1.561401500826982	137.8399234694508	2.608466383870546	1.859074716754106	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Ala13C-B_1	1.561301112705971	88.63483427817654	1.803185896213514	1.722254081302338	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Ala13C-B_2	1.568797992553721	72.96554145052713	1.385107547207717	1.849663934595493	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Ala13C-B_2	1.569083676273407	80.33162780689035	1.477351562397996	2.004722563030676	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Ala13C-B_2	1.575225473871489	41.83231848588933	0.4412951597870069	3.307605707411489	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Ala13C-B_2	1.5686222760824	72.44801894680295	1.186591986890038	2.102587048479128	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Ala13C-B_2	1.568450574078546	180.6439350333331	2.79435399317843	2.234187163851046	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Ala13C-B_2	1.568816715250154	117.3258151923949	2.013603556669942	2.048777897116798	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Ala13C-B_2	1.569146933725226	167.8585765194696	2.524911742765669	2.292037556496392	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Ala13C-B_2	1.569221494072957	426.7905933952662	6.407955229271911	2.495687409974549	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Ala13C-B_2	1.568737871115014	83.35077605596285	1.33789474807003	2.178883848964493	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Ala13C-B_2	1.580805242177751	60.93574754872922	1.017224701400324	2.108038193330007	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Ala13C-B_2	1.568482013853874	309.8120182632451	4.826149779391021	2.213166367584843	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Ala13C-B_2	1.568752353276625	166.0824566682065	2.916759146551704	2.011755806802484	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Ala13C-B_2	1.568602463815555	379.5746992558458	6.181697656770321	2.152194507441145	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Ala13C-B_2	1.568472669620203	251.1569940709304	4.147321009249211	2.113044222933221	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Ala13C-B_3	1.575776022158722	941.8162462400393	2.427787266368039	12.03460172734426	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Ala13C-B_3	1.573903715110421	80.21312565145706	0.7931049677092845	3.302697240343194	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Ala13C-B_3	1.580829093615954	38.71816570007056	0.6987865538451907	1.994136053326559	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Ala13C-B_3	1.575255941125143	55.52775070404177	0.7817071838369368	3.195971214609596	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Ala13C-B_3	1.574614868899041	126.4673290486607	1.797210353438748	3.175310207185704	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Ala13C-B_3	1.575172590024293	88.71842136299216	1.176093496395648	3.260432030138809	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Ala13C-B_3	1.575524525864424	104.1470223688092	1.408836886481127	3.174886309763015	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Ala13C-B_3	1.573534554853601	160.7102284385863	2.433381202606452	2.203975525714712	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Ala13C-B_3	1.575243740766521	53.52592819444479	0.7082753264764927	3.142040686921758	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Ala13C-B_3	1.58768590473373	15.74250427515462	0.3217069772412248	1.754445709326877	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Ala13C-B_3	1.573192439644594	93.4289981272144	1.826827144159979	1.810358444089208	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Ala13C-B_3	1.573449764434157	52.19877018028929	1.122114732371075	1.687693166113234	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Ala13C-B_3	1.573438558005181	189.1765759503624	3.112151629807625	2.125317493427603	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Ala13C-B_3	1.573270474313526	90.09249900680688	1.742793231220206	1.803739145122287	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Ala13C-B_4	1.581117527714262	56.58861213650043	1.330723884306569	1.596835873658482	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Ala13C-B_4	1.581064043754238	106.1246848317725	1.684125164366434	2.141358090754629	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Ala13C-B_4	1.587750188912607	18.55421953722133	0.3666889114487432	1.776499088536371	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Ala13C-B_4	1.580781717295971	68.34573141790435	1.230821591692885	2.024034599276047	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Ala13C-B_4	1.580573767781255	172.9707678128749	2.736448622808966	2.186389783953549	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Ala13C-B_4	1.580958910234534	130.4001808415459	2.174813459379952	2.071184370128532	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Ala13C-B_4	1.581265387820389	175.5198223971701	2.663188769710897	2.299615257250771	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Ala13C-B_4	1.57591159104828	156.3399584477346	2.534672748615257	2.196801685055733	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Ala13C-B_4	1.580798260469733	77.1298399939603	1.387049220783336	1.967559847509221	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Ala13C-B_4	1.575487680345955	191.6983029731938	2.646799224072274	2.485303040746543	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Ala13C-B_4	1.575860380740876	91.56230043802279	1.440527918177122	2.20864514381924	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Ala13C-B_4	1.575801472612625	175.9585179734057	2.880554694040736	2.122296807527698	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Ala13C-B_4	1.575591462062807	154.2142243488306	2.257192547630384	2.335444489118049	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Ala13C-B_5	1.588125266219102	57.00457939559172	0.9241696850827059	2.086307802526803	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Ala13C-B_5	1.588024294035058	29.9365605248149	0.6837042904944651	1.607446707372885	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Ala13C-B_5	1.587934737990202	32.81887191412927	0.6303298004569401	1.946657584752638	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Ala13C-B_5	1.587640144664929	68.85573599957661	1.303960187691773	1.885775625974669	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Ala13C-B_5	1.587904172572183	48.80253422316271	0.9800567854615116	1.749244435917105	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Ala13C-B_5	1.588129168494466	49.08687777693707	0.9618709594624579	1.802564639293598	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Ala13C-B_5	1.581083366884043	370.1482260915174	5.756589671371542	2.24237726175967	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Ala13C-B_5	1.587690242984135	28.36569993180677	0.5922585427674132	1.706934901037586	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Ala13C-B_5	1.58059338033373	286.0909371521811	4.792752734298913	2.08281184153325	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Ala13C-B_5	1.580867527759333	155.6665729911546	2.898516672911224	1.925511671547644	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Ala13C-B_5	1.580705161949168	410.9038264388012	6.539136510814098	2.194916047692318	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Ala13C-B_5	1.580586873217436	237.6179828901566	4.153114759110192	2.013004950286402	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Ala13C-B_6	1.587958376357486	116.2944787739792	2.331804939254202	1.792401795462334	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Ala13C-B_6	1.58764884345585	123.5583779469712	2.339598015967603	1.870849722543371	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Ala13C-B_6	1.587847116136616	47.20042578315498	1.041299597786658	1.612462726482322	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Ala13C-B_6	1.58774284939533	180.4033856299529	3.189428097198657	2.001673001117321	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Ala13C-B_6	1.587662940503744	101.3813704011391	1.969139946457426	1.796439254331903	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Asp-3b_1	2.786778652350216	69.35250750678927	1.317823780000376	1.812908735874704	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Asp-3b_1	2.788502973610962	32.65788205949445	0.6578721875268203	1.731284799058091	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Asp-3b_1	2.788336196170192	110.1465058744282	2.22603165945997	1.713848914434409	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Asp-3b_1	2.787917233380893	34.94493501530471	0.5437417021315939	2.075602130518444	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Asp-3b_1	2.788336290578953	51.7440342199415	0.8106867281428173	2.108019692544202	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Asp-3b_1	2.787896922630118	77.25633405499785	1.153223273545966	2.169086112513323	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Asp-3b_1	2.788212790114877	107.8950196504714	1.774681037559522	1.964080249320936	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Asp-3b_1	2.788209245217349	255.9182960863294	3.692596004372581	2.238319370497466	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Asp-3b_1	2.787997295770218	441.773886336804	6.26011042261936	2.279137673349371	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Asp-3b_1	2.787963650594074	90.66829986980972	1.67035326726965	1.841942202487509	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Asp-3b_1	2.787986762761436	116.3281825186827	1.79743560200873	2.227074623151396	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Asp-3b_1	2.787932700479881	80.6367374563338	1.366639466851958	1.94767278094061	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Asp-3b_1	2.788008616882899	143.119940325412	2.7129073229496	1.840755683322526	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Asp-3b_1	2.787921347389284	271.9336560450207	3.50809019849355	2.436634681832452	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Asp-3b_1	2.787860523452068	121.7790586438098	2.030863559079776	1.988984953125556	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Asp-3b_2	2.79275246783703	90.89242985072961	1.414955155151808	2.112279382182876	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Asp-3b_2	2.794534216975233	40.53856757618868	0.7219248190963321	1.95932909514623	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Asp-3b_2	2.794417833080971	143.9127073528896	2.314616915025888	2.019792694663852	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Asp-3b_2	2.793975093279751	46.345121277	0.608532527226794	2.516175358431585	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Asp-3b_2	2.794285689990711	46.86872145082746	0.7178801071655618	2.15476811288712	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Asp-3b_2	2.793944342924208	75.67205686581461	1.05562011684048	2.288968532103941	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Asp-3b_2	2.79425136433855	93.94311577515714	1.611627323171267	1.930455196100838	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Asp-3b_2	2.794314915665085	229.4470465322904	3.459139457886566	2.196715369342975	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Asp-3b_2	2.794040843486034	398.9713984433337	5.989533847926062	2.18766253529447	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Asp-3b_2	2.794014248519741	97.17047547282779	1.667590256210863	1.930180335160052	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Asp-3b_2	2.794030835315555	113.7722107567757	1.715120604411097	2.280563518426149	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Asp-3b_2	2.793878503577338	90.95534150279848	1.335956695326291	2.207989843397113	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Asp-3b_2	2.794023336630322	191.1761093434242	2.684418944949983	2.268188911750529	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Asp-3b_2	2.793788752658761	351.2742669178484	3.506477960211639	3.082498391760927	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Asp-3b_2	2.793780959644774	163.5036510851818	1.998325241271732	2.599051048237149	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Asp-3b_3	2.815977693348013	48.22638814115297	0.9268117669432319	1.815616661662458	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Asp-3b_3	2.817669441934566	27.05024271870924	0.4955830929344467	1.807648864266081	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Asp-3b_3	2.81757556813245	85.1756861271919	1.519548984942258	1.856351973207816	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Asp-3b_3	2.817234510553643	18.13829373225389	0.3481243123897007	2.100216223949311	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Asp-3b_3	2.817455182179196	23.41676438344334	0.4495355994167453	1.817580930932314	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Asp-3b_3	2.817181034753592	37.5978901708747	0.6549847484557895	1.896315504251694	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Asp-3b_3	2.817455182179196	42.52674375373269	0.969292402923772	1.530869895955289	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Asp-3b_3	2.817402386186142	143.690124464599	2.328734585454491	2.043460822898765	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Asp-3b_3	2.817226869703869	234.9275757568103	3.835923933948281	2.004771323525369	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Asp-3b_3	2.817202133810094	48.68088336692726	1.038396005480391	1.63310151790667	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Asp-3b_3	2.817204238186306	59.75209454720068	1.06221164919614	1.947317292162525	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Asp-3b_3	2.81715885509944	29.51574165746065	0.7090107125708706	1.492545217507572	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Asp-3b_3	2.817215169629011	75.40065599051317	1.543174109993149	1.711065009173989	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Asp-3b_3	2.817152093921436	96.77883730236998	1.832470128107011	1.829000575401103	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Asp-3b_3	2.817181034753592	62.69655117513475	1.100958797130904	1.898669771731916	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Asp-3b_4	2.821991873099463	38.14892449403709	0.8079270546887837	1.716306046874158	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Asp-3b_4	2.823669668727694	30.49022363250583	0.5116709938106294	2.010739563939743	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Asp-3b_4	2.82363976267552	80.32532996120206	1.471987769263036	1.865713779127132	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Asp-3b_4	2.823223127556577	12.67459470361654	0.2671103028654011	2.252964143812468	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Asp-3b_4	2.823500256563193	25.27092971669496	0.4576144793834649	1.926870038400068	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Asp-3b_4	2.823109169677418	36.23261107724507	0.6446301407249643	1.910012787613204	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Asp-3b_4	2.823446448257825	62.70993993600665	1.077628931690743	1.930455196100838	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Asp-3b_4	2.823496009966097	127.526586809543	2.234312337202703	1.991534407152769	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Asp-3b_4	2.823196966641686	238.3101917948723	3.700307548681885	2.13286900262703	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Asp-3b_4	2.823266043635156	56.49107716102986	1.037319081531611	1.86371781568806	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Asp-3b_4	2.823255236596534	63.28651240390562	1.071009983257043	2.061809828576769	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Asp-3b_4	2.823121508626352	50.33081376144037	0.8265871101038281	2.030639664130922	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Asp-3b_4	2.823236017565833	85.39784727583162	1.520616093085528	1.908422776090313	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Asp-3b_4	2.822962994831351	168.0569515930424	2.028166494767788	2.744177920696878	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Asp-3b_4	2.823029513166456	68.6880477547864	1.143703749851441	2.050438371571235	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
CXP-6_1	8.14615834567756	52.95884554810505	1.154754136305143	1.629794938106691	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
CXP-6_1	8.147320002253053	35.21836514824499	0.7950164352740526	1.587412587531937	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
CXP-6_1	8.146801032617024	77.80328695926423	1.762661418155665	1.619209536163125	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
CXP-6_1	8.147251873029228	23.23584441579783	0.5115368419171159	1.62857639497292	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
CXP-6_1	8.147251343667426	33.22143048836651	0.7102932853434395	1.651410181138117	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
CXP-6_1	8.146573485938633	58.4408544560298	1.230612466157379	1.702636113547354	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
CXP-6_1	8.146789753426011	31.04529996960856	0.8199840950650904	1.381104142353367	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
CXP-6_1	8.145707326797375	150.4636000825328	3.040810325387578	1.816290812087383	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
CXP-6_1	8.144895397799985	125.3755028248497	2.541073640111905	1.735859076988385	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
CXP-6_1	8.146462751498492	63.74630032878058	1.393663472188806	1.639923770508631	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
CXP-6_1	8.146471272134907	80.39666206745397	1.622759488123965	1.890874345470215	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
CXP-6_1	8.146189550887152	93.46573465827403	2.0075396375948	1.688596317124608	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
CXP-6_1	8.145650839507315	119.0681210385148	2.417895015876041	1.738556459500852	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
CXP-6_1	8.145707498888939	69.27003861028416	1.301443059800605	1.872577245764809	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
CXP-6_1	8.146183457542376	64.07196951610916	1.329889609330084	1.701960910881011	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Creat-P_1	3.03147601837151	94.567717724793	1.313918239370852	2.390792373671268	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Creat_1	3.022218751042032	5608.040029765396	113.1050923621734	1.828018190042566	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Creat_1	3.023743937096545	5567.714877624826	113.8936827368148	1.72242595860724	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Creat_1	3.023612330523155	10140.75307132826	205.5226279576897	1.746309164943686	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Creat_1	3.023558326838523	3387.616039007693	64.19807592265958	1.848376183708317	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Creat_1	3.023522663757439	5323.73486882226	104.2523319282472	1.817580930932314	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Creat_1	3.023289377664123	8754.630868784687	181.627221851409	1.736863905325506	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Creat_1	3.023522663757439	8601.932868379865	179.7040390986703	1.697601834628302	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Creat_1	3.023485103721442	21132.41174059762	426.7396447178614	1.825734571372393	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Creat_1	3.023313731693854	20851.5125373079	422.085584926591	1.750272719491901	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Creat_1	3.023257546206174	8445.947857491297	175.3109123338097	1.705966721473146	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Creat_1	3.023245464188439	8936.888408680765	172.471536157499	1.877420763574177	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Creat_1	3.023248516331835	10741.08832031821	220.719745886934	1.711023503322423	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Creat_1	3.023292297747354	15333.09214003169	306.6266030870058	1.761064900273375	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Creat_1	3.023216585276412	11237.23593839277	217.5752552945751	1.838771437997371	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Creat_1	3.023209863716789	10849.78648165584	231.8030018361179	1.677170206091354	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Cys-3-GSH_1	2.903064611332158	32.11351092833488	0.6464310515973801	1.781115869005869	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Cys-3-GSH_1	2.904634593252407	29.84511031566747	0.6312624449986014	1.674322977599416	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Cys-3-GSH_1	2.904464081157669	70.1819281251781	1.33594679299817	1.856351973207816	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Cys-3-GSH_1	2.904284358188457	23.76273280399984	0.3683263635619778	2.192354750360108	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Cys-3-GSH_1	2.904399224962931	36.74315733987157	0.6548970916707765	1.904859456861204	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Cys-3-GSH_1	2.904048089663721	74.43284790285091	1.237690912660512	2.052515846386611	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Cys-3-GSH_1	2.904359916095341	73.73529078437511	1.220886952892556	2.107322023933816	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Cys-3-GSH_1	2.904489844559182	203.5947614900777	2.985476940968703	2.365292246776219	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Cys-3-GSH_1	2.904358698930583	243.9049189114771	3.332886292286994	2.553471548778965	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Cys-3-GSH_1	2.904080000217839	59.75252998493067	1.076546366463731	1.894279852208341	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Cys-3-GSH_1	2.903978836831336	62.35467783632311	1.058156365882753	2.061723070133095	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Cys-3-GSH_1	2.904084661114835	80.10513385298769	1.41841004706358	1.940308782759843	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Cys-3-GSH_1	2.904126748597857	124.335327444888	2.041832953005161	2.069291073199739	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Cys-3-GSH_1	2.904177151144939	98.15623529607647	1.644555376576174	2.104378353400038	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Cys-3-GSH_1	2.904166015622732	123.1633173030671	1.886090715953455	2.238961540637677	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Cys-3-GSH_2	2.926589332384899	153.4597579091036	1.811273882400358	2.823651407883999	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Cys-3-GSH_2	2.928363883301151	152.5443532337538	1.820565346132763	2.890146767853819	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Cys-3-GSH_2	2.928391269057834	280.9340912773538	3.374157604133636	2.932127752883092	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Cys-3-GSH_2	2.928854374430332	110.500562561923	0.9493064986574857	4.173348273925576	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Cys-3-GSH_2	2.928102788848481	124.009735941544	1.450016776730774	2.984102366592942	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Cys-3-GSH_2	2.917031336786073	13.52326135676328	0.2976863502974178	1.610125286744089	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Cys-3-GSH_2	2.917427610049084	20.33137052527125	0.4599433062260114	1.58416757271663	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Cys-3-GSH_2	2.917570519753225	58.27969952184047	1.125221353043186	1.854652589871159	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Cys-3-GSH_2	2.917427610049084	82.28910974039769	1.74183983357634	1.678205917696957	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Cys-3-GSH_2	2.927748546129625	243.861471473053	3.163824447374104	2.603770104801838	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Cys-3-GSH_2	2.927740573488349	268.5190130401096	2.976314018929589	3.02518494814082	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Cys-3-GSH_2	2.927944995483481	356.9716656363996	4.298761835860791	2.884327786523366	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Cys-3-GSH_2	2.917210895809446	12.12003908813856	0.3457526220207831	1.347570829851053	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Cys-3-GSH_2	2.917253045958906	38.23064894453758	0.8618892926771049	1.635353901049706	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Cys-3-GSH_2	2.917214207210123	21.16868920577807	0.5461245433107311	1.45804074892132	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Cys-3-GSH_3	2.942789297044151	125.4301359176477	1.768752289627883	2.505873046891641	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Cys-3-GSH_3	2.944370915398354	110.5766197556485	1.77044682492641	2.221250113288388	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Cys-3-GSH_3	2.944168492441186	279.6648362557065	3.833294139411497	2.526247309617653	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Cys-3-GSH_3	2.943584721440252	126.4682533051693	1.341142420709388	3.290315794688409	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Cys-3-GSH_3	2.944078806097182	96.67513244372877	1.436547511758551	2.386332621014496	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Cys-3-GSH_3	2.928165105079256	239.7917538904001	2.721750318667657	3.342802838049961	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Cys-3-GSH_3	2.928512464668111	261.678990825091	3.132791972359255	3.079561387905746	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Cys-3-GSH_3	2.928764916323533	624.7164210629796	6.92478447746824	3.23715461656866	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Cys-3-GSH_3	2.928738847111315	869.7825125150401	10.28569794444457	3.149668749906761	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Cys-3-GSH_3	2.943871873452209	217.2778898421486	3.249162421615929	2.333324141866373	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Cys-3-GSH_3	2.943764886441163	227.2380699420531	3.114442863532133	2.610013430298787	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Cys-3-GSH_3	2.943837145382171	293.3708248835315	4.543046538922372	2.326019258481387	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Cys-3-GSH_3	2.928200727092955	410.5837808379397	4.825318705784377	2.968976415936244	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Cys-3-GSH_3	2.92812835029499	619.7965421497104	6.986334149234877	3.095499632040863	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Cys-3-GSH_3	2.928184838253176	413.0489156488291	4.857899960740752	3.098916921677911	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Cys-3-GSH_4	2.950475206156124	155.5256919377263	2.159885949014782	2.501006738231113	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Cys-3-GSH_4	2.952182991202914	117.5477664012073	1.982224911073926	2.206377726136281	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Cys-3-GSH_4	2.952185022822674	257.6009204151644	4.036897768094091	2.286315570477056	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Cys-3-GSH_4	2.951997403731554	80.49598464668283	1.210247508362372	2.483311645218814	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Cys-3-GSH_4	2.951860616994088	98.37285315352594	1.563983108448186	2.336742003950993	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Cys-3-GSH_4	2.94374576290697	234.327268282125	3.199566209774251	2.553705310641477	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Cys-3-GSH_4	2.9439680742346	259.0486595591747	3.712450607331599	2.48205816711359	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Cys-3-GSH_4	2.941534681008241	203.6048719696618	3.041540849467954	2.386772432881596	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Cys-3-GSH_4	2.941298319978423	249.4446246485772	4.227910633373122	2.076084189569542	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Cys-3-GSH_4	2.951620937848379	240.946115628167	3.73251611399987	2.314221069293034	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Cys-3-GSH_4	2.951655598927693	249.2958330190279	3.482008924324983	2.554075829016623	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Cys-3-GSH_4	2.951688444142973	330.5662659818974	5.043855072462516	2.349754698300174	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Cys-3-GSH_4	2.943928527857372	387.0612289547117	5.223152953542262	2.565342264919524	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Cys-3-GSH_4	2.943837145382171	505.2716737348508	6.985507474502866	2.566941123977234	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Cys-3-GSH_4	2.943683179335116	422.6183652023313	5.59068789180425	2.641759631581736	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Cys-3-GSH_5	2.966617237686549	162.6304738064928	2.034362256039139	2.740443437950134	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Cys-3-GSH_5	2.968216928433096	114.2042638050248	1.726554370161568	2.349743048497272	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Cys-3-GSH_5	2.968133915138621	216.107538865945	3.18286127923078	2.384875019786339	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Cys-3-GSH_5	2.967789978919585	62.98165823976314	0.8483876226219643	2.698758370095584	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Cys-3-GSH_5	2.967978163820757	110.2005033255026	1.49808777955749	2.615658899448325	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Cys-3-GSH_5	2.95184499115247	206.0249878870445	3.154977615018539	2.370900108540449	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Cys-3-GSH_5	2.952121875688596	217.6724102199632	3.728457215195548	2.160291106398173	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Cys-3-GSH_5	2.944320776606971	519.3828667008892	7.412898505629066	2.44165653599796	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Cys-3-GSH_5	2.944202675282976	788.9315302054334	11.43093649649574	2.417875120173845	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Cys-3-GSH_5	2.967779353884832	218.0672387015479	3.26923759802996	2.357689511480273	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Cys-3-GSH_5	2.967703877354288	247.532032075325	3.170451156258715	2.769197258638964	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Cys-3-GSH_5	2.967779353884832	304.0098577960767	4.454865257726845	2.417392353849869	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Cys-3-GSH_5	2.951922912997932	353.8502168297885	5.559031230867791	2.309596750372858	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Cys-3-GSH_5	2.951886835711532	490.9016280624062	7.372188151702105	2.38739706477112	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Cys-3-GSH_5	2.951878803199858	328.1263488816232	5.361293016785654	2.25352060062802	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Cys-3-GSH_6	2.985291929225117	54.21916471308118	0.6241997014251038	2.955517388547021	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Cys-3-GSH_6	2.9855	29.84511031566747	0.6312624449986014	1.674322977599416	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Cys-3-GSH_6	2.986727598460169	31.88233577265891	0.4511931800767511	2.278931831973676	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Cys-3-GSH_6	2.9855	23.76273280399984	0.3683263635619778	2.192354750360108	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Cys-3-GSH_6	2.9855	36.74315733987157	0.6548970916707765	1.904859456861204	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Cys-3-GSH_6	2.967737651383031	169.9636795044784	2.409830151486877	2.475379693445142	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Cys-3-GSH_6	2.968002343230415	169.7536712585221	2.726564974971005	2.215461313647652	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Cys-3-GSH_6	2.952300262811344	555.9373113698049	8.257344080130945	2.482201349016537	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Cys-3-GSH_6	2.952261866317453	819.0074056258635	12.23600647283847	2.398712528153948	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Cys-3-GSH_6	2.9855	59.75252998493067	1.076546366463731	1.894279852208341	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Cys-3-GSH_6	2.9855	62.35467783632311	1.058156365882753	2.061723070133095	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Cys-3-GSH_6	2.9855	80.10513385298769	1.41841004706358	1.940308782759843	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Cys-3-GSH_6	2.967937626923794	320.5335974942871	4.552626868649118	2.466726722535857	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Cys-3-GSH_6	2.96785270611179	437.6095553224374	6.340314557398164	2.466196534656149	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Cys-3-GSH_6	2.967687971409631	279.8723448774474	4.261414792836841	2.335444489118049	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Cys-3-GSH_7	2.9855	74.43284790285091	1.237690912660512	2.052515846386611	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Cys-3-GSH_7	2.9855	73.73529078437511	1.220886952892556	2.107322023933816	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Cys-3-GSH_7	2.968089793560304	386.1442639526214	5.547952096256457	2.526667376968911	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Cys-3-GSH_7	2.968053501310435	589.8129036872639	8.456265256535513	2.471075135912738	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Cys-3-GSH_7	2.986476473398199	124.335327444888	2.041832953005161	2.069291073199739	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Cys-3-GSH_7	2.983314374669001	575.057177316487	1.470785631679184	14.41495252789539	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Cys-3-GSH_7	2.9855	123.1633173030671	1.886090715953455	2.238961540637677	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Cys-3-GSH_8	2.9855	203.5947614900777	2.985476940968703	2.365292246776219	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Cys-3-GSH_8	2.976552071504127	32.22644398287456	0.6435402734003062	1.77471186925989	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Cys-3-GSH_9	2.9855	243.9049189114771	3.332886292286994	2.553471548778965	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
DSS_1	-0.0004172263554935008	23598.06735522059	530.2007764780591	1.591951974641356	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
DSS_1	0.0004352937841692145	21581.60890646496	533.3707943548425	1.485073010080188	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
DSS_1	0.000257743382559545	22940.28378369666	552.4515897150327	1.46078276180344	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
DSS_1	0.0001540311325282829	23217.96417201492	486.6614147856573	1.67230542421438	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
DSS_1	0.0002458191935562108	22324.55348537934	524.3680134466172	1.491510357412176	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
DSS_1	-0.0001320569553120494	21020.79173825855	498.5397051618427	1.470898174481665	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
DSS_1	0.0002248542077254161	23216.35071961572	567.8777113469937	1.45519625490596	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
DSS_1	0.0001626905792327249	21815.11908626273	473.0132262317634	1.670765352016454	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
DSS_1	-1.278481430635314e-05	23879.95287625409	500.9936141463087	1.68909601391454	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
DSS_1	-3.308608706347626e-05	23045.60789687965	531.53445843079	1.542769839586044	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
DSS_1	-7.689152175260395e-05	23550.68827511505	503.2462704038988	1.70779600319348	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
DSS_1	-3.86881232034957e-05	23223.40084501297	531.8115299032784	1.56078963130132	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
DSS_1	1.659581053882197e-05	21935.96857841851	508.5415517336458	1.535910642561539	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
DSS_1	-0.0001172722049513015	22812.68324749309	480.6857413537388	1.655945700894974	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
DSS_1	-0.0001406756930784287	23029.97949559075	561.1835263302537	1.440402412645436	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
For_1	8.442106189101787	77.61665647566447	1.872540417252712	1.48610783545597	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
For_1	8.443770717839103	174.2896345156472	4.160526834052845	1.472452280766055	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
For_1	8.443714358893287	229.9743551009329	5.682126896039991	1.451092425403523	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
For_1	8.443422475155652	86.98365094586305	1.987988499927523	1.576558510225817	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
For_1	8.443513002220747	120.7992636630496	2.652601856846659	1.603733480344538	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
For_1	8.443280198003709	101.8618749105564	2.442549967827902	1.495184556326853	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
For_1	8.443536686117017	147.5045807392951	3.828064303057809	1.356798768888895	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
For_1	8.44383000710815	146.8938570197675	3.355911435676548	1.637148882466148	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
For_1	8.44372202295896	105.6540784937686	2.558402070620434	1.479839456493073	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
For_1	8.443345144312303	219.6420273398539	5.498560125362425	1.425438453780595	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
For_1	8.443290095857739	159.8655506394598	3.667020100629176	1.647317020979485	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
For_1	8.443378287999177	119.9581192213372	2.959380179276939	1.43817050654588	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
For_1	8.443529913012378	147.2239488309217	3.518803522674484	1.484736496325187	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
For_1	8.443454884647549	223.1242602602464	4.984913088511306	1.588044871275621	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
For_1	8.443325719516576	158.0231458152592	3.942679290896803	1.432609765734031	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Fum_1	6.508609364348554	27.46069920689455	0.4717979285439123	1.927591264199595	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Fum_1	6.510333500869827	6.964114303849844	0.1890526295030218	1.285328477594721	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Fum_1	6.510223782421115	26.95733956521684	0.6519832009882119	1.450767577100359	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Fum_1	6.50997488057938	12.00777252447872	0.2994941436854959	1.375347797944177	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Fum_1	6.510325158715949	32.46735539319398	0.5973019712562829	1.784751742002316	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Fum_1	6.510221005051396	28.27908852054613	0.5931649235841832	1.57262772097202	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Fum_1	6.50993943546149	16.49758674173609	0.3877090408540034	1.479839456493073	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Fum_1	6.509805299186325	16.53460407872048	0.3643212868354784	1.622759597615955	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Fum_1	6.510015182974661	15.60948024639404	0.3907721796061941	1.406055802626084	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
GSH+GSSG-3_1	2.150667918734584	1017.610383304034	8.667438993115324	4.036942637716447	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
GSH+GSSG-3_1	2.136553287616962	444.2072816134096	3.326608405920158	4.408573122280507	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
GSH+GSSG-3_1	2.150134450577452	1027.706410975783	8.518301959169698	4.293837574288484	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
GSH+GSSG-3_1	2.136505623359258	142.6404889562276	1.557543619185023	3.284883637423186	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
GSH+GSSG-3_1	2.136525697656426	264.5800783050549	2.517900220827578	3.772979524013844	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
GSH+GSSG-3_1	2.136360800791543	604.1964162789244	4.590872696930022	4.399027236930076	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
GSH+GSSG-3_1	2.136837103464392	570.3691668914296	5.773318954783082	3.542069536213509	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
GSH+GSSG-3_1	2.136771487122229	1250.487373594298	11.62713570787547	3.76290271938663	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
GSH+GSSG-3_1	2.137047012908603	1307.314057411537	14.5077890806018	2.975979963683455	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
GSH+GSSG-3_1	2.151206041211064	1444.376294647779	10.67893623492965	5.109091354117862	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
GSH+GSSG-3_1	2.14906495732078	503.4807290655436	5.438606212886104	3.243386682486863	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
GSH+GSSG-3_1	2.15034138406307	1193.933513595062	8.086765910731948	5.284156505024077	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
GSH+GSSG-3_1	2.149449288459923	726.5128525088587	7.039567524116635	3.450939153590153	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
GSH+GSSG-3_1	2.136718506771801	1182.694170588295	7.303227653749926	4.98293536380953	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
GSH+GSSG-3_1	2.136480751643284	407.982473527589	4.144705945909512	3.434620391068493	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
GSH+GSSG-3_2	2.163204051234071	2725.9229066225	16.061223883491	5.76742802727428	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
GSH+GSSG-3_2	2.152361381837996	621.1030611902705	5.514373410794132	3.92819668488927	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
GSH+GSSG-3_2	2.163188731674187	1320.37995153358	8.24950299951732	5.655401416444231	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
GSH+GSSG-3_2	2.151985978741578	317.9732169128586	2.610951069762994	4.749018902808944	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
GSH+GSSG-3_2	2.150911408063139	340.4470728628122	2.985483628911618	5.223342309968418	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
GSH+GSSG-3_2	2.150722353007808	775.5183599749006	5.762439305275407	5.603430658063594	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
GSH+GSSG-3_2	2.150177155516138	838.9055267209329	6.549088194997965	4.592601997439037	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
GSH+GSSG-3_2	2.151350590061893	2273.135253578372	15.86853965554896	5.370967243085359	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
GSH+GSSG-3_2	2.149568523467296	1436.055972601645	18.42884068126333	2.643088465195914	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
GSH+GSSG-3_2	2.163214047049269	1322.008808047698	10.88477817513929	4.599445293697928	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
GSH+GSSG-3_2	2.152244136034282	830.0510799405718	8.733536986612854	3.316237427706381	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
GSH+GSSG-3_2	2.162717025401756	1383.346610649963	8.313458825209976	5.852035879428172	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
GSH+GSSG-3_2	2.152441144990195	699.63905010162	7.443882388998219	3.334450496910192	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
GSH+GSSG-3_2	2.149378023952357	612.4297565614326	6.601760179859641	3.243329508656814	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
GSH+GSSG-3_2	2.149449288459923	271.8431738771234	3.476198649870593	2.789420153246881	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
GSH+GSSG-3_3	2.171927038167221	174.4790119502691	1.91441786776273	3.293414747386846	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
GSH+GSSG-3_3	2.163917320292001	654.9493750854858	5.74888770868711	4.099443334027493	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
GSH+GSSG-3_3	2.174074218284253	44.07848267194033	0.8043065031771517	1.968430739120619	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
GSH+GSSG-3_3	2.164240398490627	423.2416368085816	3.150637203324337	5.315280685903379	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
GSH+GSSG-3_3	2.163443636799738	498.5276529487322	3.45360625996386	5.327404060294884	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
GSH+GSSG-3_3	2.163009630591392	794.5903219619001	6.019631803517191	5.084056014326009	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
GSH+GSSG-3_3	2.163286446263898	1004.410066599155	6.467642417936688	5.649942970816443	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
GSH+GSSG-3_3	2.163273557301541	1875.795054685746	16.17736312701976	4.504066638712983	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
GSH+GSSG-3_3	2.153404148721932	550.6367175950019	5.570127715137277	3.380663303823994	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
GSH+GSSG-3_3	2.173378034840701	48.53630208653576	1.024123561366467	1.737448808348405	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
GSH+GSSG-3_3	2.16309946177286	1561.264484462384	11.95606073729106	4.652683453828379	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
GSH+GSSG-3_3	2.173408789999537	58.19138749399031	1.083684271131791	1.873643254766233	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
GSH+GSSG-3_3	2.163080484104948	1514.894601891484	12.26340844065277	4.528888234306537	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
GSH+GSSG-3_3	2.153368655239712	189.2513969874507	2.284828775659372	2.837337042180539	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
GSH+GSSG-3_3	2.161694540136856	753.3197520709955	5.175599373031771	5.196731440164301	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
GSH+GSSG-3_4	2.176046731471994	890.5477369028814	7.424636985283803	3.895104728756686	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
GSH+GSSG-3_4	2.17756	215.63892	1.43	5.261651	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
GSH+GSSG-3_4	2.174074218284253	44.07848267194033	0.8043065031771517	1.968430739120619	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
GSH+GSSG-3_4	2.177833056571156	306.9178942924548	1.67	6.412637644803313	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
GSH+GSSG-3_4	2.178033728963058	260.5479867254695	1.71	5.31646026962326	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
GSH+GSSG-3_4	2.173517607855646	50.38916692414499	0.7747064348441033	2.368163906723269	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
GSH+GSSG-3_4	2.173936837116923	81.43428505613812	1.175586454881261	2.417039099117646	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
GSH+GSSG-3_4	2.173866094040238	110.6419484530361	1.8579078866898	2.175940275873825	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
GSH+GSSG-3_4	2.161646632739527	1014.576805090623	13.42212783134219	2.702881237720658	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
GSH+GSSG-3_4	2.173378034840701	48.53630208653576	1.024123561366467	1.737448808348405	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
GSH+GSSG-3_4	2.173447982696258	50.55557137878711	1.02110925726755	1.860225184433814	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
GSH+GSSG-3_4	2.173408789999537	58.19138749399031	1.083684271131791	1.873643254766233	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
GSH+GSSG-3_4	2.173976238858285	149.8844759825579	1.819274813222515	3.037455427136795	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
GSH+GSSG-3_4	2.161136028518158	449.1922570017541	4.774069853279203	3.196070467116069	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
GSH+GSSG-3_4	2.1733517837459	39.94744698850985	0.8143880068894297	1.773183288532793	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
GSH+GSSG-3_5	2.165735866287502	597.6116484680753	6.844351023561774	3.625897438720363	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
GSH+GSSG-3_5	2.173447982696258	50.55557137878711	1.02110925726755	1.860225184433814	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
GSH+GSSG-3_5	2.173976238858285	149.8844759825579	1.819274813222515	3.037455427136795	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
GSH+GSSG-3_5	2.165085550102645	312.438410651412	3.152780577882544	4.111328126637305	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
GSH+GSSG-3_6	2.173840435497201	201.1193051676663	3.163473253710485	2.343911229504777	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
GSH+GSSG-3_6	2.178534837538229	64.80742863885034	0.967119383479181	2.470564913399884	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
GSH+GSSG-3_6	2.173447929036277	93.62448428081272	1.431121864095502	2.282673426827127	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
GSH+GSSG-3_7	2.179436402694498	114.0135047149954	2.579895374121569	1.556171048653766	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
GSH+GSSG-4_1	2.502701077447277	89.47420839441763	1.123213278291093	2.832600039782438	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
GSH+GSSG-4_1	2.504203926919369	31.81913992984392	0.5567117208686798	2.473728130809962	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
GSH+GSSG-4_1	2.49097767032946	57.39901560819916	0.7173322081441629	2.791997818871765	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
GSH+GSSG-4_1	2.503632278421857	25.93351007667231	0.3303521314753693	2.734230115064777	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
GSH+GSSG-4_1	2.491257667497205	18.54019437474156	0.261199764144835	2.549196241898137	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
GSH+GSSG-4_1	2.503865202175593	70.42499420749101	0.9709346568470903	2.686977998581287	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
GSH+GSSG-4_1	2.49132892657788	27.61424326481002	0.4885135389247645	2.378364603377278	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
GSH+GSSG-4_1	2.491060291862535	110.2222523218732	1.293046554569058	3.030185612325143	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
GSH+GSSG-4_1	2.490921835891336	84.1812024731207	1.073104018300675	2.8166832364723	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
GSH+GSSG-4_1	2.490515920568741	47.01904431060893	0.5473122791813474	2.997571611830447	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
GSH+GSSG-4_1	2.50378208903746	88.56822013788126	1.423666920757405	2.531331500687506	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
GSH+GSSG-4_1	2.503830527289381	97.71370363921382	1.433901989350821	2.448755702322215	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
GSH+GSSG-4_1	2.491219745711644	65.90553777387035	0.7713309663045842	3.26532089138369	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
GSH+GSSG-4_1	2.492959305088636	56.63026133633226	0.6130234657737004	3.454618054084639	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
GSH+GSSG-4_1	2.498073431351719	63.59821611679409	0.4280305322759888	4.87222381670677	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
GSH+GSSG-4_2	2.515575575640741	199.9513895075908	2.092121141155017	3.288532125540161	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
GSH+GSSG-4_2	2.51700563974354	118.4832250494436	1.516753365123825	2.732381800095529	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
GSH+GSSG-4_2	2.504141444502128	105.8048463003066	1.633976463328107	2.502359804275986	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
GSH+GSSG-4_2	2.515989603718325	152.6595391959118	2.183444586718762	2.423126079837655	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
GSH+GSSG-4_2	2.504104674714984	49.35197281229853	0.6672887980717142	2.646177302257051	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
GSH+GSSG-4_2	2.516647860843324	147.0558534699798	1.966422405535785	2.684812291945797	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
GSH+GSSG-4_2	2.504120473647587	75.56591237439956	1.236494866932483	2.376319797322527	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
GSH+GSSG-4_2	2.504054675492029	220.2649259403242	2.899120911219292	2.801112720006012	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
GSH+GSSG-4_2	2.503812145348781	196.6702318948703	2.877026892080538	2.520265389012061	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
GSH+GSSG-4_2	2.50383698104744	96.94024857317635	1.441958552516636	2.5701475958328	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
GSH+GSSG-4_2	2.51662407381752	238.3943347374197	3.161754934064735	2.654583799471617	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
GSH+GSSG-4_2	2.51662407381752	194.2158981128148	2.693606813425728	2.575515869206433	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
GSH+GSSG-4_2	2.503921909764582	138.4385176129789	1.905163260204901	2.667722441554974	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
GSH+GSSG-4_2	2.498082085301526	23.60968258481105	0.4559078690564238	1.909258034269644	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
GSH+GSSG-4_2	2.503732756850293	68.63846264977013	1.159747150040546	2.40603459386458	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
GSH+GSSG-4_3	2.528114615336712	210.4555401957588	1.429952402722916	4.779446105148699	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
GSH+GSSG-4_3	2.529732540928068	59.38612108461577	0.7519409675745441	2.771125389243961	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
GSH+GSSG-4_3	2.517113058245659	261.5388325579112	3.498416031040796	2.603587224889395	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
GSH+GSSG-4_3	2.529377197447022	40.03639948873746	0.4821541077997863	2.681770788695435	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
GSH+GSSG-4_3	2.516884487918698	104.9055052018322	1.344788002075777	2.753562099457013	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
GSH+GSSG-4_3	2.529361170682099	118.5775860734997	1.418316129374598	2.931726356370563	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
GSH+GSSG-4_3	2.516923821036607	191.6925037054957	2.653222037101743	2.500467431194466	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
GSH+GSSG-4_3	2.516937611967865	425.1696877137818	5.661210266145345	2.65497984496217	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
GSH+GSSG-4_3	2.516666783193238	394.5229939735943	5.563167713265862	2.542592497876193	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
GSH+GSSG-4_3	2.516706850448406	254.0240571818597	3.160095737215481	2.691632057135894	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
GSH+GSSG-4_3	2.529218530682873	175.6458072181958	1.893646308382668	3.198143282321675	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
GSH+GSSG-4_3	2.52922318835289	154.7633652215311	1.840262700024113	2.896572368872146	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
GSH+GSSG-4_3	2.516715456292721	288.4638780997172	4.157894704696839	2.479007233494018	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
GSH+GSSG-4_3	2.503714831914908	80.0473909548927	1.247371495209497	2.479332971029521	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
GSH+GSSG-4_3	2.516536081319352	177.5559942832034	2.394723813444833	2.616794001903958	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
GSH+GSSG-4_4	2.540259877436778	187.1452624039413	1.963168630065572	3.114588023800275	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
GSH+GSSG-4_4	2.541973188601882	109.846895185119	1.530061058288587	2.442398055940992	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
GSH+GSSG-4_4	2.52963245735237	189.8614913322152	2.197026166996468	3.038579249469522	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
GSH+GSSG-4_4	2.541352033263348	234.1272702192085	3.131555542677119	2.521383655458948	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
GSH+GSSG-4_4	2.529565579956191	75.85165558163811	0.7982452210465518	3.333750397392076	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
GSH+GSSG-4_4	2.541480107072191	249.8803905069993	2.664428727247852	3.078992497406007	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
GSH+GSSG-4_4	2.529589440192047	142.4217197512335	1.798506174205599	2.741570927021364	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
GSH+GSSG-4_4	2.529524104329254	347.5880194792183	4.290052512906725	2.901852536975151	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
GSH+GSSG-4_4	2.529500488187642	302.1547893092051	4.050166782146498	2.603080125854511	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
GSH+GSSG-4_4	2.529271226974595	154.2655357048441	1.704788802808707	3.157397703968166	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
GSH+GSSG-4_4	2.541589439303884	270.2104823860122	3.498161121797122	2.6801197703699	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
GSH+GSSG-4_4	2.541503525157395	223.0732318340594	3.003394117405691	2.496077309781594	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
GSH+GSSG-4_4	2.529403946950957	232.5949100216293	2.675816643705856	3.003493718488261	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
GSH+GSSG-4_4	2.51663769521151	203.7379477622107	2.588647409234115	2.779949454425552	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
GSH+GSSG-4_4	2.529290581281071	156.4868642382811	1.939976068035743	2.800117417830791	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
GSH+GSSG-4_5	2.545266551802741	37.15193684174171	0.4136413413594455	3.147004580077886	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
GSH+GSSG-4_5	2.554605941407234	70.1549104600855	0.8044990219692351	3.042730694614361	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
GSH+GSSG-4_5	2.541978105999053	320.5710250812932	4.050832292659311	2.713267656608258	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
GSH+GSSG-4_5	2.554949279137986	961.2622475921601	8.355498115658914	3.979173139646803	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
GSH+GSSG-4_5	2.541735850425772	130.0789936650755	1.48625641753002	2.868006355262031	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
GSH+GSSG-4_5	2.554178776674585	125.7506333481603	1.507988550948966	2.878658109705114	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
GSH+GSSG-4_5	2.541808123847917	298.9109625911533	3.536234245673301	2.804417247896288	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
GSH+GSSG-4_5	2.541923091627227	727.9930613425918	7.88761001900193	3.071193943425309	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
GSH+GSSG-4_5	2.541741608750493	602.2802329272462	7.572144559743025	2.702881237720658	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
GSH+GSSG-4_5	2.541552963792972	217.9188532313509	3.180449086607295	2.341193237264932	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
GSH+GSSG-4_5	2.554144389164204	120.3098038165414	1.56139007784887	2.73654964608519	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
GSH+GSSG-4_5	2.554210397026434	107.091403752769	1.597300469139736	2.370948721961762	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
GSH+GSSG-4_5	2.541709343909007	461.7223586665378	5.191863596948997	2.872170019468466	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
GSH+GSSG-4_5	2.529409829803416	162.2196822135391	1.910006590979941	2.948634430177187	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
GSH+GSSG-4_5	2.54147538047279	433.2104350781542	3.533267023307216	3.772681003499592	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
GSH+GSSG-4_6	2.553103715894717	79.97405425318537	1.044628422241829	2.565002461515452	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
GSH+GSSG-4_6	2.567115484515677	19.58196813715997	0.2949190355810356	2.316778402421655	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
GSH+GSSG-4_6	2.554431105262884	153.3473840462825	2.153574701321484	2.532062866922738	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
GSH+GSSG-4_6	2.554479310894361	43.93560159538029	0.6655190719759142	2.366915019696572	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
GSH+GSSG-4_6	2.566778822651205	38.28300777501493	0.640424791343043	2.161086806427996	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
GSH+GSSG-4_6	2.554309271989457	124.2337603123119	1.773416115782793	2.463243247021651	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
GSH+GSSG-4_6	2.554456225130955	397.0421544269142	4.770953726649887	2.903771081391195	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
GSH+GSSG-4_6	2.554401472680511	367.143784600136	4.94804618695698	2.595189846716011	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
GSH+GSSG-4_6	2.554208130020015	84.75937180894701	1.33710281562672	2.263950263133949	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
GSH+GSSG-4_6	2.566900741139084	50.11931315083493	0.800277706576006	2.245385871439821	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
GSH+GSSG-4_6	2.566941496925366	37.79129223223753	0.7034376535452254	1.874550273875296	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
GSH+GSSG-4_6	2.55435060831443	162.7166065943719	2.344871478045135	2.465604354385395	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
GSH+GSSG-4_6	2.541557862375651	422.9099364243955	3.682482239388643	3.544701994995015	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
GSH+GSSG-4_6	2.554092322580972	144.2564148099004	1.889933820913808	2.663296381337011	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
GSH+GSSG-4_7	2.565872261975572	30.56347636634207	0.4984010948602199	2.13970905308586	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
GSH+GSSG-4_7	2.567339566504693	63.46599471365789	1.019343824125243	2.185541781370621	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
GSH+GSSG-4_7	2.56715198930442	17.80172374806009	0.3253247488756073	2.055587786299734	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
GSH+GSSG-4_7	2.567069744611902	46.80336474229478	0.8337841715569067	2.033321240073449	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
GSH+GSSG-4_7	2.56706720012847	160.1721288746474	2.15004307063841	2.676252135304989	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
GSH+GSSG-4_7	2.567120272432339	142.4988957785449	2.048167168729837	2.487910250834677	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
GSH+GSSG-4_7	2.566889288444918	49.24011550706098	0.7644163603756059	2.308609190576517	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
GSH+GSSG-4_7	2.56711297332781	64.09158228276495	1.050163181396797	2.12948785248856	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
GSH+GSSG-4_7	2.554197401267249	113.5972953787872	1.608087760144471	2.48609171861014	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
GSH+GSSG-4_7	2.56678448571804	46.898856498912	0.7592291887790157	2.214705332160494	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
GSH+GSSG-4_8	2.580226276557413	53.64063529704973	0.7458224830100117	2.490118935822046	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
GSH+GSSG-4_8	2.579921171387817	51.89260935873924	0.7502379223582648	2.407992626185292	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
GSH+GSSG-4_8	2.580122900916009	28.25293683328363	0.3277109409679128	2.855170485625079	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
GSH+GSSG-4_8	2.580226276557413	22.1728090826077	0.363877242383678	2.126164116185255	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
GSH+GSSG-4_8	2.567040311282821	39.72746149900511	0.7001617185289224	1.989281659560275	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
GSSG-12_1	4.732591589107497	125.8209406842129	1.704473777467741	3.280529451892413	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
GSSG-12_1	4.746349896928895	42.25381440998588	0.6797271881711384	2.182384090272331	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
GSSG-12_1	4.746205776566837	103.4807808738552	1.686223503515774	2.147608473580314	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
GSSG-12_1	4.7459	8.967566	0.21	1.49	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
GSSG-12_1	4.746018307294869	26.33681701231256	0.4736218080866116	1.946275094439192	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
GSSG-12_1	4.745986314412765	25.88142413285023	0.6165656636114369	1.578858343374316	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
GSSG-12_1	4.746094155611127	90.7018371908846	1.401773298029951	2.257289240753968	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
GSSG-12_1	4.746217413265457	169.5112953039022	2.571754463946987	2.305749177489967	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
GSSG-12_1	4.746109731565046	234.2912213743782	3.400270480232306	2.401661296677498	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
GSSG-12_1	4.74589955634579	90.85403820504482	1.487758910145053	2.140855938545996	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
GSSG-12_1	4.745747516001848	115.5306698049082	1.757440129067011	2.349261054839773	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
GSSG-12_1	4.74589955634579	271.451784847652	2.863126506231945	3.201817000211343	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
GSSG-12_1	4.74580957846702	133.5889112847522	2.180614046464665	2.175304087258064	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
GSSG-12_1	4.746080118397883	460.9803057437379	3.698554611090954	4.299079341152408	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
GSSG-12_1	4.745955882732805	36.86469292763883	0.7537395779438089	1.71905921617647	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
GSSG-12_2	4.738190569407379	125.8209406842129	1.704473777467741	3.280529451892413	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
GSSG-12_2	4.746349896928895	42.25381440998588	0.6797271881711384	2.182384090272331	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
GSSG-12_2	4.746205776566837	103.4807808738552	1.686223503515774	2.147608473580314	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
GSSG-12_2	4.7459	8.967566	0.21	1.49	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
GSSG-12_2	4.746018307294869	26.33681701231256	0.4736218080866116	1.946275094439192	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
GSSG-12_2	4.745986314412765	25.88142413285023	0.6165656636114369	1.578858343374316	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
GSSG-12_2	4.746094155611127	90.7018371908846	1.401773298029951	2.257289240753968	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
GSSG-12_2	4.750762694263664	100.9517250520646	1.625562876888805	2.182259109773137	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
GSSG-12_2	4.746109731565046	234.2912213743782	3.400270480232306	2.401661296677498	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
GSSG-12_2	4.74589955634579	90.85403820504482	1.487758910145053	2.140855938545996	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
GSSG-12_2	4.745747516001848	115.5306698049082	1.757440129067011	2.349261054839773	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
GSSG-12_2	4.74589955634579	271.451784847652	2.863126506231945	3.201817000211343	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
GSSG-12_2	4.74580957846702	133.5889112847522	2.180614046464665	2.175304087258064	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
GSSG-12_2	4.746080118397883	460.9803057437379	3.698554611090954	4.299079341152408	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
GSSG-12_2	4.745955882732805	36.86469292763883	0.7537395779438089	1.71905921617647	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
GSSG-12_3	4.744342683185512	37.51914384835295	0.8558680508541066	1.663301217364622	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
GSSG-12_3	4.753477828331118	33.02170908116118	0.5728811697352473	2.066624593483613	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
GSSG-12_3	4.753436719379831	84.66149627645522	1.432032372722894	2.084128268383231	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
GSSG-12_3	4.7523	19.981423	0.28	2.49	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
GSSG-12_3	4.753118771886668	39.7272702572542	0.6062906992605297	2.341737777309735	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
GSSG-12_3	4.753027389411467	38.7657008306975	0.7285536246562895	1.907711555928332	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
GSSG-12_3	4.753233586268113	67.50412448381182	1.176336598671099	2.064072550249989	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
GSSG-12_3	4.753648436875422	107.6070372845798	1.85962767287237	2.018997145939027	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
GSSG-12_3	4.753390189395841	132.7328556917542	2.379843626109802	1.964078937412583	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
GSSG-12_3	4.753118771886668	50.34039225244273	1.027855151497167	1.771504052997404	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
GSSG-12_3	4.752928196247924	324.6638723797209	2.403160038793485	4.39621163002485	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
GSSG-12_3	4.753195858030141	67.03290810449974	1.336940298962848	1.815747996064936	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
GSSG-12_3	4.753138506817931	420.3192662830365	2.147028934664987	9.33106333273191	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
GSSG-12_3	4.753465240753923	62.1372528285235	1.118047620483305	1.959911288646857	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
GSSG-12_3	4.753085553884142	38.47887032545423	0.8037065633182354	1.686878023342033	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
GSSG-12_4	4.75252675865496	1284.412407774744	3.349539751772373	12.10151424226162	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
GSSG-12_4	4.753477828331118	33.02170908116118	0.5728811697352473	2.066624593483613	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
GSSG-12_4	4.753436719379831	84.66149627645522	1.432032372722894	2.084128268383231	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
GSSG-12_4	4.7523	19.981423	0.28	2.49	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
GSSG-12_4	4.753118771886668	39.7272702572542	0.6062906992605297	2.341737777309735	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
GSSG-12_4	4.753027389411467	38.7657008306975	0.7285536246562895	1.907711555928332	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
GSSG-12_4	4.753233586268113	67.50412448381182	1.176336598671099	2.064072550249989	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
GSSG-12_4	4.753648436875422	107.6070372845798	1.85962767287237	2.018997145939027	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
GSSG-12_4	4.753390189395841	132.7328556917542	2.379843626109802	1.964078937412583	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
GSSG-12_4	4.753118771886668	50.34039225244273	1.027855151497167	1.771504052997404	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
GSSG-12_4	4.752928196247924	324.6638723797209	2.403160038793485	4.39621163002485	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
GSSG-12_4	4.753195858030141	67.03290810449974	1.336940298962848	1.815747996064936	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
GSSG-12_4	4.753218267055617	63.479270857084	0.9532371390216265	2.051498057173797	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
GSSG-12_4	4.753465240753923	62.1372528285235	1.118047620483305	1.959911288646857	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
GSSG-12_4	4.753085553884142	38.47887032545423	0.8037065633182354	1.686878023342033	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
GXP-1'_1	5.926124038889207	37.75189763936002	0.5523359970341535	2.362222322499997	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
GXP-1'_1	5.92798087984549	34.95148138880911	0.5348048443100729	2.499029971337552	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
GXP-1'_1	5.927781181309705	67.43013488194254	0.8315010663383283	2.755741447744435	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
GXP-1'_1	5.928183107589709	13.22767138509659	0.2573348488880312	1.821456664992147	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
GXP-1'_1	5.927751195812043	23.24511379356192	0.3762642620338792	2.269224921638826	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
GXP-1'_1	5.927502903967235	43.51893451617627	0.611072522274991	2.480025022706831	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
GXP-1'_1	5.927749108120254	49.04892705908495	0.7734091712003732	2.18573910511671	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
GXP-1'_1	5.927481649743263	103.9865659614732	1.351858892088218	2.683964923248376	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
GXP-1'_1	5.927200813269049	128.7082538991095	1.750708137139056	2.498273024496174	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
GXP-1'_1	5.927489450170514	47.2174870718641	0.7673159163698785	2.194318341174733	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
GXP-1'_1	5.927433737566919	55.8867272479352	0.7502984410126331	2.598995904995422	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
GXP-1'_1	5.927433713357959	60.69144272365679	0.8489291864531497	2.510321017853471	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
GXP-1'_1	5.927361787522689	69.88807763999624	1.156551486504347	2.14550355487335	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
GXP-1'_1	5.927306674933412	58.88483277723748	0.7940561804987466	2.58793601301724	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
GXP-1'_1	5.927383578219451	50.21895323502011	0.7990456376794135	2.192941430344642	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
GXP-1'_2	5.936693322464996	29.51922501084704	0.4734576289589521	2.267025188811843	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
GXP-1'_2	5.93839339737447	28.43392532276753	0.4902475724365079	2.056198321143179	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
GXP-1'_2	5.93819730136511	44.81465930716627	0.700605520420729	2.279153206977115	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
GXP-1'_2	5.938711385187109	13.05920331578936	0.2492537226534896	2.020507359545114	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
GXP-1'_2	5.9383424432241	17.60357936691143	0.3571124942927535	1.899361096538884	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
GXP-1'_2	5.937983945342767	31.98043088983647	0.5522638987153222	2.079181967902461	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
GXP-1'_2	5.938196151305387	41.55801531428945	0.7053591238708214	2.072958254874245	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
GXP-1'_2	5.937953142995473	84.17006015538317	1.295354028587416	2.309869002768406	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
GXP-1'_2	5.93765877270374	90.3351987013607	1.528861896861443	2.126619197798868	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
GXP-1'_2	5.937930802091551	46.07560291020006	0.730774462349796	2.248917100638718	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
GXP-1'_2	5.937986281131793	37.19542216766837	0.6789670509107011	2.085613825176063	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
GXP-1'_2	5.937850028259325	34.38015543534901	0.6417881620089994	2.032548578381846	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
GXP-1'_2	5.937822682564983	92.58175396686048	1.592748568135366	2.110569372944286	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
GXP-1'_2	5.937883793465649	34.74594870285475	0.6595394552802137	1.973119275324097	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
GXP-1'_2	5.937795846240108	39.38876802469435	0.7445140338061319	1.969919352692532	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Gln+Glu-2_1	3.745946260767474	788.663684490637	7.955085639637015	3.499279875987888	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Gln+Glu-2_1	3.73241226979109	66.61463660492797	1.469300097773293	1.649564869747896	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Gln+Glu-2_1	3.732185050433221	265.4158249764021	5.362019299553516	1.774700347754614	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Gln+Glu-2_1	3.738198486809323	25.1369343887641	0.658742137927601	1.491295682431956	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Gln+Glu-2_1	3.738339222064446	25.58758475319916	0.5626721995494413	1.622019922927103	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Gln+Glu-2_1	3.738289883541541	56.230478600574	1.05441880723056	1.879658121213592	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Gln+Glu-2_1	3.738315730287649	94.3959430652114	2.088687849657326	1.607702486386957	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Gln+Glu-2_1	3.738785167885801	441.3408161022463	8.01922008205106	1.975506001659129	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Gln+Glu-2_1	3.738695307786775	465.141229157178	9.56688268675343	1.768289602907605	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Gln+Glu-2_1	3.738054632714256	112.4775153945339	2.372798203385623	1.664889054454325	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Gln+Glu-2_1	3.738097486213233	183.8319148921971	3.449363824366432	1.941252735609086	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Gln+Glu-2_1	3.738360162503672	97.7504191298615	1.853026197778434	1.814892037383696	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Gln+Glu-2_1	3.73849717826562	291.9339991796271	5.283020290198801	1.928116891911659	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Gln+Glu-2_1	3.738310818695866	104.9417846150025	2.166523102925697	1.68460763446286	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Gln+Glu-2_1	3.73826440885716	108.221746138603	2.080056691756262	1.822301146835215	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Gln+Glu-2_10	3.769691184238209	228.9157154449215	4.119103262488962	1.981167523350988	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Gln+Glu-2_10	3.782458494025342	114.6819586119915	1.996401411457148	1.94671121803848	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Gln+Glu-2_10	3.775072721733062	1628.811489968243	24.34870237263265	2.292638050550982	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Gln+Glu-2_10	3.774661619558501	1077.930933216022	15.12942128839579	2.465472183346591	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Gln+Glu-2_10	3.779347921560807	152.4702217022409	2.916281824191948	1.891594350626009	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Gln+Glu-2_11	3.774990485970121	887.7242405296819	14.86089198394883	2.084318882353438	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Gln+Glu-2_11	3.784099004855318	33.25098778191592	0.8186960305493323	1.587262516848464	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Gln+Glu-2_11	3.78432063195436	28.17645123008703	0.5113755532801479	1.946646648373739	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Gln+Glu-2_11	3.782840132644696	29.04311270867512	0.6937304018056112	1.460775224337567	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Gln+Glu-2_2	3.753555153704097	1989.145820446313	22.15472205999753	3.144545521359831	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Gln+Glu-2_2	3.738523379593121	50.14539065214845	1.040641474572177	1.69655081619991	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Gln+Glu-2_2	3.738511368721799	159.9441082556112	3.295269079924033	1.711202374927013	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Gln+Glu-2_2	3.744190701200268	146.5422249604975	2.289832678649011	2.251676548986549	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Gln+Glu-2_2	3.745464510969886	26.04505001003395	0.7056121270360426	1.534648325252075	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Gln+Glu-2_2	3.741225781370006	122.4753948281765	2.660601793505686	1.630183231871346	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Gln+Glu-2_2	3.741552606039513	145.5060848130468	3.506091526132162	1.487677501071017	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Gln+Glu-2_2	3.741881129757163	439.2534915500561	7.523947125992485	2.014660986596053	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Gln+Glu-2_2	3.741796186841397	559.0538294950661	10.90036651461652	1.803470127037237	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Gln+Glu-2_2	3.741314834446346	62.73712019184303	1.647002828994212	1.404370832864742	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Gln+Glu-2_2	3.741240623986052	72.41239405351124	1.60773184090464	1.669899228047471	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Gln+Glu-2_2	3.741350300355501	107.3276554841289	2.51560478424786	1.529663219759865	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Gln+Glu-2_2	3.74150091184596	240.8184805304621	4.953983522679032	1.74285737260808	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Gln+Glu-2_2	3.741460064396034	163.3951538941118	3.540239097415145	1.654752978814068	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Gln+Glu-2_2	3.741377397174617	126.583461718037	3.003473545169564	1.537884038055807	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Gln+Glu-2_3	3.761106376640428	3172.980174647622	27.58920535727549	3.956609173322991	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Gln+Glu-2_3	3.745998516250887	32.5185824884592	0.8395911389397328	1.351433627212699	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Gln+Glu-2_3	3.741684816006246	74.65881700142346	2.017639940810664	1.391538651455872	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Gln+Glu-2_3	3.75368166402153	112.1610309876557	2.078055730484945	1.97694006797394	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Gln+Glu-2_3	3.750138061565257	39.04852815105222	0.981582530140272	1.425660128587221	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Gln+Glu-2_3	3.745496988096629	39.90478732920633	1.110777158466526	1.324236071557491	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Gln+Glu-2_3	3.745957062811097	70.91001140680989	1.968681368912283	1.291393861792547	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Gln+Glu-2_3	3.746249103511496	375.8810621839013	7.085324708760688	1.907182967042865	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Gln+Glu-2_3	3.746196244702665	537.0775726643285	9.193477530735311	1.976918096346149	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Gln+Glu-2_3	3.745788168162267	75.35322907864487	2.148132080219046	1.293279678557828	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Gln+Glu-2_3	3.745686911628388	185.7031311488013	3.318428801079052	1.939701245988381	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Gln+Glu-2_3	3.745449229324381	67.4833126306122	1.860803960017257	1.417302866293032	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Gln+Glu-2_3	3.745942247553763	328.1604281736644	6.191668066584649	1.863708073251877	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Gln+Glu-2_3	3.745981384304256	104.1912505663427	2.528133703524732	1.453509955917121	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Gln+Glu-2_3	3.745733705053964	77.71462696407005	2.076784698481439	1.393168813032332	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Gln+Glu-2_4	3.769993244168559	8940.99789597371	31.67418238157521	9.78929585281251	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Gln+Glu-2_4	3.750380344069998	50.28436236185816	1.357225231521362	1.371659667009414	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Gln+Glu-2_4	3.746062963958548	126.2625570600403	3.2379096506269	1.437677317749877	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Gln+Glu-2_4	3.760855270635754	241.492659265639	4.819136730553554	1.843910492289137	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Gln+Glu-2_4	3.760969524563397	349.7454200005601	5.449055890504559	2.245090107252535	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Gln+Glu-2_4	3.750148749105993	96.39528525579908	2.041954543105882	1.69252977231925	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Gln+Glu-2_4	3.750360950476526	131.0478963559269	3.244690599272454	1.487160356319783	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Gln+Glu-2_4	3.75062030631847	474.5161249718997	9.733881003376155	1.789246678456954	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Gln+Glu-2_4	3.750530857801309	558.2219422994965	12.06200983619916	1.674024884078622	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Gln+Glu-2_4	3.750030622727364	134.2088568768148	3.382527126887613	1.462821907606362	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Gln+Glu-2_4	3.74997840193321	259.4192276763397	4.966484862834428	1.878023317482109	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Gln+Glu-2_4	3.749985059273694	106.1187495388189	2.760606747510063	1.426038066806501	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Gln+Glu-2_4	3.750296792146221	484.3303930105798	9.403678708519722	1.843094976032127	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Gln+Glu-2_4	3.750152604109807	233.9055610421732	4.939136003765493	1.697915824522831	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Gln+Glu-2_4	3.750006229141468	138.5214637673691	3.337014811706898	1.528295837547456	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Gln+Glu-2_5	3.772943004206952	2677.839466250215	19.20721939524118	4.393725258842082	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Gln+Glu-2_5	3.761189841163425	406.6149788532496	6.625193589951673	2.141488573871004	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Gln+Glu-2_5	3.750337317622199	164.9060093361389	4.225418563283509	1.438859249212449	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Gln+Glu-2_5	3.764211487937341	35.77578143614053	1.015183777885172	1.229632747433955	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Gln+Glu-2_5	3.769412319890131	32.94318345933749	0.8316431228953018	1.398139177640242	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Gln+Glu-2_5	3.760705091203865	607.346937693091	9.87303250712196	2.175951462658454	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Gln+Glu-2_5	3.754673847840599	40.19890573527888	0.8700746209828037	1.739323838009453	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Gln+Glu-2_5	3.755063111310331	308.7121792623807	4.958954811372156	2.320679783660103	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Gln+Glu-2_5	3.754643942177998	309.0529308759956	5.94513415131636	1.947676123774375	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Gln+Glu-2_5	3.755130760216604	141.4626095912717	2.069681025079829	2.384894701402533	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Gln+Glu-2_5	3.754538940330672	112.7918050048907	2.022505321757607	2.115985435606396	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Gln+Glu-2_5	3.754376467757806	38.5220551429772	0.9062652566966796	1.548574011365204	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Gln+Glu-2_5	3.754289723680353	401.0808386500343	4.966030799738022	2.744541208642545	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Gln+Glu-2_5	3.754066865727945	72.10780523936081	1.505093330346044	1.671667146254048	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Gln+Glu-2_5	3.754107009324211	60.26805544801954	1.159991908803062	1.800376714270377	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Gln+Glu-2_6	3.769723946896808	45.57746987040345	0.9944234748303286	1.599225868418549	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Gln+Glu-2_6	3.754907660599717	61.12635468102204	1.290586446569654	1.797074979338179	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Gln+Glu-2_6	3.771584812979993	2429.616847546653	8.364886468307533	10.4540795927215	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Gln+Glu-2_6	3.774856260698415	350.4244048290373	5.897226556914053	2.102587048479128	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Gln+Glu-2_6	3.764960528473108	11.73585685092721	0.5409323650273118	0.8949229491136158	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Gln+Glu-2_6	3.760983049763098	936.2260300346895	12.59458793224592	2.446705459669106	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Gln+Glu-2_6	3.758481869508694	274.5644166756612	5.136181589304426	1.820871052197911	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Gln+Glu-2_6	3.760943644304915	3384.159634958055	36.21949438883521	3.023244284472024	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Gln+Glu-2_6	3.760763281487351	911.9107693592066	13.75886847803968	2.312600348722863	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Gln+Glu-2_6	3.757872234472634	238.6082383702139	3.29137460912112	2.460999148349313	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Gln+Glu-2_6	3.760739808217124	1059.39711540035	16.78845719029873	2.203687630389491	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Gln+Glu-2_6	3.760871418094329	2338.973461791072	24.60624236269798	3.024745988808146	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Gln+Glu-2_6	3.760876426939113	1560.252424344636	21.29865193674851	2.493753278170966	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Gln+Glu-2_6	3.760736231006896	921.1936438852408	14.24465121918757	2.23650749006549	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Gln+Glu-2_7	3.775095319920442	422.7052287464933	7.113285760706466	2.07347271820928	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Gln+Glu-2_7	3.758350957936085	120.4674819332998	2.581256706426185	1.628431882416215	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Gln+Glu-2_7	3.771818353318196	516.0702639875557	7.548355401367322	2.330994042962701	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Gln+Glu-2_7	3.769374287379214	408.821483949351	4.925042629900814	2.900504481285471	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Gln+Glu-2_7	3.765662228258563	47.09615670148764	1.369447180715806	1.217001337561282	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Gln+Glu-2_7	3.76111188478071	1549.660573644426	22.33499640920727	2.420926800846653	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Gln+Glu-2_7	3.769735899437607	3339.837499141797	28.76375618755661	3.845378783766738	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Gln+Glu-2_7	3.765279768428728	118.301779442477	3.443416488379885	1.3426679316494	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Gln+Glu-2_7	3.760794832954716	869.2841891775223	12.2438456350016	2.473434174992009	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Gln+Glu-2_7	3.769364556947442	295.5320625222726	4.729251995001596	2.188650213485182	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Gln+Glu-2_7	3.771541040261676	3863.515370003685	17.20935377507026	8.451732521106527	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Gln+Glu-2_7	3.769604086285798	403.5497161069849	6.165459449898471	2.393144188458436	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Gln+Glu-2_7	3.769348249069159	577.8707591888112	7.798866581316802	2.609580331649774	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Gln+Glu-2_8	3.761222448341972	807.3889943171621	13.11673696502889	2.19155197728927	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Gln+Glu-2_8	3.77472680531117	394.6307495095291	4.976948156026295	2.694480568047484	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Gln+Glu-2_8	3.774616344103369	555.6220990744563	9.52973006527569	2.052515846386611	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Gln+Glu-2_8	3.769599235276232	236.3633059501949	4.339797149403537	1.990479597361395	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Gln+Glu-2_8	3.765856668579077	51.92356610398576	1.599788026536396	1.141219674525306	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Gln+Glu-2_8	3.774894060012658	1830.992830967196	29.99667036753413	2.129828109722779	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Gln+Glu-2_8	3.769356323485674	292.1910714422746	4.454418034454267	2.288795181246711	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Gln+Glu-2_8	3.765197027957722	54.88558833028918	1.732143699231176	1.16822359131929	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Gln+Glu-2_8	3.774639977886312	1052.419269054498	17.58742617851001	2.08281184153325	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Gln+Glu-2_8	3.771694683196374	281.0841297456408	4.86187139652036	1.980124006459633	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Gln+Glu-2_8	3.774725369358379	1557.019314134375	22.3537546020361	2.346726387051678	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Gln+Glu-2_8	3.774629577198536	858.5106481693746	14.73593088731855	2.037305693301179	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Gln+Glu-2_9	3.765676574871413	76.0572458255178	2.149586960551207	1.304479151529309	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Gln+Glu-2_9	3.779352323372078	169.4977377991336	3.353189253121389	1.886879877061887	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Gln+Glu-2_9	3.774903359736862	717.6808739924414	11.99440492420808	2.072958254874245	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Gln+Glu-2_9	3.770763335789598	6425.274708760517	23.92935266334398	10.18792057587386	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Gln+Glu-2_9	3.78342696315607	38.91999335144386	0.8438706850871247	2.048348622594453	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Gln+Glu-2_9	3.774692116663914	928.5827494931077	15.24816047560637	2.124878581326119	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Gln+Glu-2_9	3.770665781000773	3121.243524842645	9.221414934181087	11.61403548266478	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Gln+Glu-2_9	3.779193933704898	61.93011181515818	1.404609426106725	1.608084089964855	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Gln+Glu-2_9	3.774809933760886	1350.953129125268	21.49614242941623	2.194001115947204	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Gln-3_1	2.127768434875863	394.3754545126938	3.943048225703088	3.213384050725139	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Gln-3_1	2.129554054038457	269.748919223034	3.146066679199691	2.731145143395304	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Gln-3_1	2.129479832602602	350.3477330635616	5.305028278621412	2.228003588764731	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Gln-3_1	2.129187573393852	56.03314095344598	1.027735287710862	1.957747651873775	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Gln-3_1	2.129198041471926	158.004112241032	2.148951946223553	2.489620500104529	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Gln-3_1	2.129131900621857	209.121309549099	2.785794706297876	2.485440489308365	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Gln-3_1	2.128086527583551	963.813603157157	5.123972806020654	6.673620174437747	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Gln-3_1	2.125457904256529	557.4144971135404	6.588064683440269	2.980091632364753	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Gln-3_1	2.125402671782063	746.893288678403	8.921993392869572	2.936216505937129	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Gln-3_1	2.129086009075815	421.7819831990415	4.973868511757781	2.60928405543946	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Gln-3_1	2.127789183025191	1038.202620834924	6.924517509804523	5.304404169478826	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Gln-3_1	2.129122546357785	341.9226070011143	4.58474232953686	2.453581768698263	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Gln-3_1	2.125057930948862	210.137137312434	3.190970999720237	2.402015049599494	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Gln-3_1	2.125108863411113	571.0438558963641	4.665864083554146	4.03813554237189	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Gln-3_1	2.129125504326478	306.638240865113	4.214252513296391	2.422705531580592	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Gln-3_2	2.135110891579137	341.2999399992631	3.72783786826296	3.327701504694671	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Gln-3_2	2.136813263651754	609.4463640514899	7.097392221610533	3.143405984285053	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Gln-3_2	2.129558653090637	1236.21580797442	12.53129515403472	3.186037231565029	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Gln-3_2	2.129475467124455	715.6385457583993	10.57943426891478	2.269992405965083	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Gln-3_2	2.136256652633889	1025.315090329534	8.42125911347004	3.99938607664051	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Gln-3_2	2.136370233668506	980.3384127500946	8.826173233800757	3.821466892123961	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Gln-3_2	2.1362504357805	969.6374848426393	7.132790111923822	4.407242872639227	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Gln-3_2	2.129215788994908	1483.554694987763	10.77600874194052	4.236168859488639	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Gln-3_2	2.12925323603868	370.6686654730097	4.659975277150854	2.606801034981319	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Gln-3_3	2.139762746088618	7896.653589591596	9.053406751590488	30.05799434713717	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Gln-3_3	2.136741263697514	818.1028110427741	8.322759126437749	3.476528644907867	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Gln-4_1	2.413201420195789	471.9584786014952	5.111980074458931	3.233723256781158	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Gln-4_1	2.420918910403996	18.26264767894444	0.4827344174145213	1.380842875544895	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Gln-4_1	2.414545742242459	26.81451990758632	0.5062258188004176	1.83370303825374	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Gln-4_1	2.4202	34.30734738540701	0.5306202772694892	2.192354750360108	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Gln-4_1	2.414249105807613	16.862905739111	0.3220897756687145	1.814667956486357	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Gln-4_1	2.414180179625382	17.15501622729721	0.4114656996127219	1.469240605856311	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Gln-4_1	2.414516762120198	25.5863253632039	0.4460813875845948	1.913445714071691	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Gln-4_1	2.414825252994234	44.52175809315701	0.9474526973347849	1.739320110657425	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Gln-4_1	2.414715905194831	57.10816813063274	1.322730266090302	1.591763365617693	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Gln-4_1	2.420451646070942	92.87867917535722	2.023996321473792	1.635401859681533	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Gln-4_1	2.420480974429023	120.4635869108006	2.311712910100845	1.878525401407445	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Gln-4_1	2.414301538419218	24.85648880019684	0.5754349958879399	1.530509697674362	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Gln-4_1	2.41469476158899	22.901982866993	0.5430435031853263	1.552600551757676	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Gln-4_1	2.414340890847057	40.57234190182937	0.9304688515939654	1.654447680514299	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Gln-4_1	2.414241884313894	34.43188195511571	0.8626938704323671	1.44887813642392	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Gln-4_2	2.418434688512787	58.13383579218115	0.6060159633612899	2.95170228409392	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Gln-4_2	2.433786359345263	181.4636971284514	1.876191649884913	3.335623376544134	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Gln-4_2	2.420875242360929	80.47698609713656	1.772618466117328	1.649383981641596	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Gln-4_2	2.433745376037429	117.5201184738938	1.473860462170466	2.845897595122166	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Gln-4_2	2.420707962541429	23.8074141638904	0.5313028981018937	1.652043996456564	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Gln-4_2	2.420495854653258	30.52589436814618	0.753770275004075	1.526697315319391	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Gln-4_2	2.420718574333623	77.46633104055789	1.759553626269258	1.590372517903997	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Gln-4_2	2.420824453767708	170.5049850155696	3.359082082201874	1.819881282781237	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Gln-4_2	2.420736591634378	129.9314700480224	2.991978746951082	1.616337986965036	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Gln-4_2	2.433566396645003	431.7428187454871	5.928058149766201	2.653647594882276	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Gln-4_2	2.433507953955412	488.5450628212288	6.400990942209573	2.813902095015511	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Gln-4_2	2.420440889009962	38.49340030791067	1.00613027982418	1.493550131406292	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Gln-4_2	2.420581092381275	93.91150490519905	2.142340011448545	1.61040508710914	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Gln-4_2	2.420540747298551	53.66376809303961	1.2549455394377	1.595600635440944	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Gln-4_2	2.420484482944151	40.39196159952773	1.038023472275566	1.490809631103119	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Gln-4_3	2.424366977297369	351.8848837230688	2.141475418911453	5.762643820143825	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Gln-4_3	2.446584623647941	229.3342482916242	1.872253168335601	3.769050687838078	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Gln-4_3	2.43388679379553	375.2040432792161	4.9828442217444	2.716360617050326	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Gln-4_3	2.44634705046529	132.4569087769353	1.214229658062455	3.81187873612511	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Gln-4_3	2.424852421276209	18.22715690132821	0.3728506188929731	1.687049901719724	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Gln-4_3	2.424661534934649	27.48367385450722	0.5701326510265297	1.699567127348934	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Gln-4_3	2.425032343952456	31.55735359349427	0.580297904846581	1.876418772812836	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Gln-4_3	2.425225165964431	49.99222379182398	0.9943601480826373	1.822987539388234	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Gln-4_3	2.425148044450095	86.43500311812183	1.713323390555808	1.784795555566499	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Gln-4_3	2.446435159372468	398.6609388052019	5.106855678012526	2.642566575775255	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Gln-4_3	2.446175934755023	347.8470886613111	4.859368096062316	2.477724869155783	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Gln-4_3	2.42479214042934	57.92183843781788	0.9894677178550707	2.021139580194335	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Gln-4_3	2.424947463442741	30.60809070432297	0.665246999169235	1.663059955636751	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Gln-4_3	2.42485815497741	94.61723183281104	1.524992241580942	2.133034519716938	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Gln-4_3	2.424717540630986	63.88963469760193	1.208604137976058	1.834671034283021	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Gln-4_4	2.432153806556823	728.43431143484	4.245380098960383	5.360574671432833	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Gln-4_4	2.461030843242586	25.40241353568879	0.540724974508092	1.744976138776188	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Gln-4_4	2.446657169842198	332.1049237283544	4.317624802791365	2.563373216423515	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Gln-4_4	2.46073310697345	34.30734738540701	0.5306202772694892	2.192354750360108	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Gln-4_4	2.433595326369271	170.5803238906652	1.95635180797324	3.059158864607559	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Gln-4_4	2.43351742590697	292.3040409717716	2.897233950853562	3.430223128748615	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Gln-4_4	2.433831551285419	437.236935944494	5.046609343836256	2.952568185658897	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Gln-4_4	2.433822017428525	727.4168466237641	9.209764006115778	2.9621253338009	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Gln-4_4	2.433782802548489	1173.253812790817	10.89051347430954	3.620092766047798	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Gln-4_4	2.460582433566386	113.145162772662	1.983063177520406	2.013615727611288	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Gln-4_4	2.448935724256777	144.1804777086921	1.97986987066109	2.480224178266939	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Gln-4_4	2.433363715448107	499.765162315185	4.239575602655528	4.004227274875267	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Gln-4_4	2.433740168810218	674.7706172403169	6.688812236305023	3.382330089644405	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Gln-4_4	2.433177834397343	863.886779363307	5.983727857780458	4.850187979568352	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Gln-4_4	2.433106798088557	699.3492296379574	4.75727082931239	4.619561103422079	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Gln-4_5	2.444941895718409	401.9842344298085	3.23062538363149	3.828688692439704	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Gln-4_5	2.461003099175296	86.86012800742678	1.630921143092354	1.905202498124505	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Gln-4_5	2.446389673101007	223.3124608001823	1.810286634148361	3.983619914254999	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Gln-4_5	2.446037123994202	385.9466865297005	2.90281621280617	4.091055891054787	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Gln-4_5	2.446888905015805	460.1879134635144	4.340648400804839	3.67204534639556	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Gln-4_5	2.446551012441344	589.6755723628924	7.117261204796888	2.743845291535199	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Gln-4_5	2.446301336096852	988.701843861383	8.524662678259952	3.568747137427423	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Gln-4_5	2.460534569000329	139.660383125809	2.242787668945734	2.26154607039787	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Gln-4_5	2.446168185437553	637.6325355038322	4.168533651327919	4.796378546698203	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Gln-4_5	2.446224566589272	441.2798651531173	5.166092917086236	2.712855811803293	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Gln-4_5	2.445796920812321	1451.436599731701	6.403487444717247	7.102897939595753	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Gln-4_5	2.445862643397599	862.5155162863815	4.582983400418791	5.863692785928373	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Gln-4_6	2.447626589472286	34.38523290939912	0.5521373816076066	2.071491064124474	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Gln-4_6	2.460770125665501	29.62514842495136	0.4720531393900493	2.189780610822484	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Gln-4_6	2.460620320835415	33.05214448217389	0.6800551774477595	1.727412247373014	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Gln-4_6	2.460836148380285	78.90919949092998	1.523869100172596	1.846943168798752	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Gln-4_6	2.449411123107355	167.3005088146869	2.357339082460757	2.309195606362758	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Gln-4_6	2.449076621424989	328.5699146367893	3.178669442864309	3.180607392560322	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Gln-4_6	2.460521344389214	38.05493596973642	0.7935010725248514	1.719622365995343	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Gln-4_6	2.449194349998659	175.6206800537399	2.239398153566456	2.510617617575309	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Gln-4_6	2.460461274423037	58.07221756890684	1.004219315177779	2.042362064419858	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Gln-4_6	2.460561307517574	34.84112006160858	0.7471064111081696	1.71309333491084	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Gln-4_7	2.459453087724654	84.37492134007782	1.218184164080164	2.370635790880782	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Gln-4_7	2.461006199564895	199.4285055147429	3.097873028285663	2.271707190503836	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Gln-4_7	2.460859293890856	170.0246584384302	2.895003833079666	2.071100928951568	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Gln-4_7	2.460789034707781	115.6206397379362	1.967890770650178	2.050054187302476	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-3-a_1	2.015517584456696	643.9807809543402	2.212459403565658	8.956229876072113	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-3-a_1	2.016777970409891	405.3247446071871	2.888656995925829	4.474097987859029	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-3-a_1	2.007794016463493	47.00581355155996	1.126080617125978	1.474707543832837	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Glu-3-a_1	2.027458891293806	3775.645851630424	4.784059395779015	24.28411745098252	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-3-a_1	2.016833839590089	155.9215876048304	1.503639963211151	3.603118322408652	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-3-a_1	2.007353409365547	39.42468422693823	0.870340049019279	1.557890311393545	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Glu-3-a_1	2.007727101082907	44.62520059271407	1.053189961271652	1.509550733064471	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-3-a_1	2.032394417683815	13881.41465241976	27.83013818124548	16.47669167341934	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-3-a_1	2.007712253189156	218.1493581283524	3.931824111355699	1.964800090111986	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-3-a_1	2.007494380154597	93.84010329875858	1.643038070267497	1.844562451466332	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-3-a_1	2.007512562875948	76.70105204005745	1.135299887084958	2.24838273399831	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-3-a_1	2.007408918994002	97.69042757522212	2.256671498738571	1.552066268527748	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Glu-3-a_1	2.007545494031743	38.90052351312067	0.8876518928343989	1.615713408907143	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-3-a_1	2.006892042475711	228.7361803145786	2.899145068252611	2.804724363424243	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-3-a_1	2.006632207311458	176.4616797741002	1.711000703959348	3.688406217107467	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Glu-3-a_10	2.08710667854109	119.0038989929681	1.94899140592057	2.163213791967828	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-3-a_10	2.088772072558475	709.7235331961037	10.46102414086271	2.488232258472959	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-3-a_10	2.069289906553851	469.8384194162937	6.537227665406242	2.522353978887114	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-3-a_10	2.080079183039045	28.10703949677946	0.7558566923663944	1.453257373560185	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-3-a_10	2.077896810377544	2777.446958822103	6.526195277269702	13.0952364751442	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-3-a_11	2.091082916566156	28.13738704872368	0.4142147425121736	2.249663700007428	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-3-a_11	2.072121687242074	222.3131108597301	3.083825325875612	2.370772188892231	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-3-a_11	2.088277275272625	643.3754836859148	8.764425487463228	2.571257870445941	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-3-a_11	2.088475128930246	334.7245624277793	5.096148638932259	2.248913001201039	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-3-a_12	2.080479373211468	83.05927386074495	1.748667033723624	1.728447819464615	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-3-a_2	2.030187615017644	3151.022329287283	7.315048942282413	14.26571793069526	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-3-a_2	2.031675433790453	7814.733557517624	12.23245532812992	19.65749496191126	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-3-a_2	2.017520100940436	140.3615208041093	2.369562245417442	2.185526006332185	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Glu-3-a_2	2.044374642536132	176.1841018572603	1.552624694716691	3.873675023409605	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-3-a_2	2.031650604769392	3238.268692092903	5.28798333287986	19.09633728487603	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-3-a_2	2.016874438163887	179.4581577885243	2.447245996991973	2.558683330934119	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Glu-3-a_2	2.017341023005931	217.3597250304666	2.525530373303039	2.833718002044963	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-3-a_2	2.044559253752536	153.1353501775857	2.497045710591975	2.066020043957757	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-3-a_2	2.013143648716118	259.8237521507956	4.196485209853926	2.083672259579508	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-3-a_2	2.016994494088219	1048.644980141017	5.944246074179624	5.428243720916643	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-3-a_2	2.016882754629494	1069.08676906271	5.688092123999786	5.892362985900111	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-3-a_2	2.012853775930422	71.69205786250008	1.62862598410778	1.627077236944565	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Glu-3-a_2	2.01707413520211	503.4708722562655	4.112641031263326	4.067944750615675	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-3-a_2	2.012892092721529	168.2509773840618	2.669021064682351	2.231082332717897	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-3-a_2	2.016487787042475	876.0591088996873	6.131935066375753	4.525405043483689	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Glu-3-a_3	2.04262651394756	131.420831786834	1.768377173041415	2.547093381372671	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-3-a_3	2.048257619661356	272.374144936913	2.34982752533738	3.964761881789952	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-3-a_3	2.033461782473779	6974.336865982882	11.44146565856565	18.75637447721716	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Glu-3-a_3	2.055851603099033	1543.648676591584	35.13058248178281	1.569967561303087	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-3-a_3	2.047737899324799	160.7956145140185	1.319251259709372	4.110924567019687	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-3-a_3	2.032893608704579	9420.32460429817	9.872259772379865	29.36141147858923	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Glu-3-a_3	2.032481102515924	6617.37941149624	11.5751121784645	17.59091634793955	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-3-a_3	2.048773288809261	541.4999749296665	5.576466447625592	3.391612974352568	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-3-a_3	2.017501697118932	1023.54510000384	9.411911029953584	3.513745609036855	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-3-a_3	2.031625019301897	5852.51694856884	19.18830387915979	9.45059644722765	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-3-a_3	2.031519740707343	4884.592264024422	18.09258409964134	8.541330119035244	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-3-a_3	2.01698142021923	380.1674725606109	5.206732703530752	2.516614542589811	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Glu-3-a_3	2.032395518593559	11998.00587423547	23.68462113566814	16.14094732106287	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-3-a_3	2.016857167284082	622.1677026130177	7.505372987974157	3.012362372025119	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-3-a_3	2.029587446384841	4148.168968953532	11.02050709044601	12.49334265462052	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Glu-3-a_4	2.046828513338806	206.3331698835669	2.116273794914573	3.40195181042416	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-3-a_4	2.055842498075366	232.4502959640575	3.117318353630546	2.602948179240943	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-3-a_4	2.044405019383611	158.3766149144894	2.157024030344341	2.363610260529468	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Glu-3-a_4	2.088319619777669	68.49699196183184	1.028102472597254	2.337368754423947	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-3-a_4	2.055679591788863	183.0441088383378	2.543561832242812	2.454917011170428	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-3-a_4	2.047841913057054	239.941453633436	2.186983152073054	3.543336200726467	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Glu-3-a_4	2.044224749357443	41.61608661564964	1.000127258911126	1.545116773426834	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-3-a_4	2.055898682416049	934.4917694625924	11.49923545363927	2.89741956963193	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-3-a_4	2.029314439156238	5430.05986080838	14.32187808058078	12.25091041330583	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-3-a_4	2.0440278143317	126.3618285012945	2.067881555382916	2.144528115638791	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-3-a_4	2.043823561099486	168.1447633849362	2.381068907750766	2.51208074069821	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-3-a_4	2.032690883562561	9526.965203958087	16.73484547600704	19.05993238950945	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Glu-3-a_4	2.04371003992458	77.89214752622506	1.821196423990156	1.762290041837903	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-3-a_4	2.028682979364108	4632.339945963963	13.16570830714096	11.6617051922001	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-3-a_4	2.045336535503964	748.9188223867615	3.962670770107259	7.437590081202756	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Glu-3-a_5	2.054374111492018	382.2284799619486	4.093474226766267	3.258081504086973	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-3-a_5	2.069143249073893	387.670043231331	2.2102256373319	6.288574703078776	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-3-a_5	2.055685416311334	277.4351931944747	4.271008856928639	2.326238361906315	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Glu-3-a_5	2.069179415862107	286.825559069744	1.670135012468079	6.571371152483887	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-3-a_5	2.055460073241911	219.3621059377054	4.632610267571146	1.660355378806688	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Glu-3-a_5	2.055763588673455	411.4658029795374	6.420989253483081	2.044029077417806	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-3-a_5	2.066796774184504	268.1182208595718	4.237602816373686	2.267618132102744	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-3-a_5	2.031879375739453	1299.660760616461	6.063917183812345	7.211757151649833	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-3-a_5	2.048288888412422	255.2863105992964	3.039570111407962	2.963717846477059	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-3-a_5	2.048073765016873	413.6794672575366	4.207479694163286	3.453499127668838	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-3-a_5	2.055494655275305	392.4639953819415	5.933612859794177	2.182356176217861	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Glu-3-a_5	2.04837536098538	486.1476823807281	4.207988605288477	3.932761609694026	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-3-a_5	2.044010336311976	1185.810939476668	6.870628198789722	5.439160334817101	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-3-a_5	2.055534638963464	502.5566657216197	6.876849312594565	2.333330835917617	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Glu-3-a_6	2.065867961518428	267.839128087138	2.674210282607175	3.901464121409031	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-3-a_6	2.088695978405065	234.6286622103888	3.827427878308643	2.187688923885746	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-3-a_6	2.069120547536594	475.6757556393929	3.700876802267799	4.541975234710415	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Glu-3-a_6	2.088513797200005	81.71544392538068	1.375326120305228	2.157330661364241	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-3-a_6	2.068667180382244	184.563922658869	2.257710502499168	3.191182889241154	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Glu-3-a_6	2.068953957224326	334.6187276291056	2.866013158094883	3.898101306990855	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-3-a_6	2.069369450435086	503.7629076873798	7.022929846742571	2.55628227804536	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-3-a_6	2.044030020106416	684.709191966574	8.787526855613148	2.775328960735903	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-3-a_6	2.055328815371495	559.98077230726	6.981307704013125	2.788510755662279	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-3-a_6	2.055285471935197	657.9929803411812	7.740712773646346	3.066104287690048	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-3-a_6	2.066555935771502	25.36720855189013	0.5998525341976172	1.488391257955326	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Glu-3-a_6	2.055619084364578	646.7011577443872	8.784434953729189	2.573845576274107	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-3-a_6	2.05560799218239	828.8943940247718	8.834390448326806	3.008789068539511	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-3-a_6	2.068429025302921	182.0259320920935	2.215490997170537	3.117368010174338	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Glu-3-a_7	2.069676629606909	132.8843246797587	1.587869933885599	3.419994189165541	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-3-a_7	2.088672861681462	196.7605548871333	3.251336118416047	2.123668690424099	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Glu-3-a_7	2.088311990734407	178.0245066441039	2.599258999370676	2.403239664845392	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Glu-3-a_7	2.072204360718326	301.4949745882279	2.685877529213058	3.50788008828251	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-3-a_7	2.072198274583576	391.3611126023362	5.440595915961516	2.541015213890397	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-3-a_7	2.048172850622753	3023.621330915666	7.339953645754536	12.67540134409025	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-3-a_7	2.06632864408062	45.48086146555777	0.9034869629931217	1.735956865421851	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-3-a_7	2.066183391794061	124.3499929650697	2.004712771763923	2.164194567258779	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-3-a_7	2.068865934350906	1193.311360897299	5.487557969084543	6.800763409394424	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Glu-3-a_7	2.066635129066122	128.6674535604435	2.235974859617421	2.007856871231181	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-3-a_7	2.067083559855639	164.1338120578871	2.041248281304139	3.320643290343401	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-3-a_7	2.089671865730262	62.94263345618999	0.7041202244453663	3.119098228761704	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Glu-3-a_8	2.075771489754721	53.67911445193668	0.7301648064360898	2.707799618348255	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-3-a_8	2.088808986047994	83.73097887360788	1.474375409055161	2.142671960570215	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-3-a_8	2.076921388463319	576.1598996263176	5.494903819553381	3.652460872097055	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-3-a_8	2.055917287101977	1048.229636150213	12.64615070130071	2.954622568510987	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-3-a_8	2.069097964945936	940.9732342563161	5.815769349067847	5.315422481571336	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-3-a_8	2.068626868001791	286.5863150297852	3.430175647522716	2.968518933477112	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-3-a_8	2.088336981603025	245.543703217458	3.656207934519956	2.34905143989251	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Glu-3-a_8	2.069105574567049	322.4448599087617	4.610848922865381	2.501600290416989	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-3-a_8	2.07022068246066	220.271531849362	1.765774050444354	5.026012581900758	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-3-a_9	2.078906109513013	32.43353950562823	0.6203746682297977	1.824194960950943	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-3-a_9	2.080754430486809	207.0322304301819	3.012055234432538	2.464345656341722	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-3-a_9	2.066565383452621	262.6474081565934	4.016174109756251	2.281873415595339	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-3-a_9	2.088257545668655	469.9826312385836	7.572950104705154	2.215186452706866	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-3-a_9	2.072638094161948	722.6667040914659	3.567044317649923	6.531371446858048	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-3-a_9	2.071948597061667	211.6966880454341	3.302649799768465	2.170465011027697	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-3-a_9	2.078983185899552	26.47180349844398	0.581462329746308	2.169959775495278	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-3-b_1	2.103633584673654	45.47163568774175	0.6095236357573595	2.724516087607602	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-3-b_1	2.118019321756478	50.59114332816721	1.127418500761162	1.608851393036671	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-3-b_1	2.100255188689032	7.708952050484295	0.2934431290979581	0.9528932103990589	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Glu-3-b_1	2.122779992395205	403.7991175251078	2.59870299938958	4.812465110288231	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-3-b_1	2.122457572699567	673.9148716381077	3.96939848878683	5.350485560181588	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-3-b_1	2.122193332763421	1508.764484954237	7.582480664243267	6.15714654114577	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Glu-3-b_1	2.100198273909023	12.14094445321778	0.3956917125963602	1.149605555820446	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-3-b_1	2.100308933046527	16.90996574262692	0.5396073251524302	1.123547622371697	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-3-b_1	2.09185366307516	124.7091821113988	2.092738287049049	2.197025399846127	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-3-b_1	2.104380296693964	22.72438791587507	0.5176579752506228	1.58276700345473	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-3-b_1	2.095587497774879	122.0303136191363	1.216811779551166	3.085829724944537	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-3-b_1	2.104466496824644	12.3352420400105	0.2656386499276002	1.637973191582963	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Glu-3-b_1	2.100093167341949	11.62331059761495	0.4748521941180887	0.9862152724608035	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-3-b_1	2.092061094033698	59.51155343059708	0.8192126354869862	2.563694827692324	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-3-b_1	2.099828604425783	13.8231822140419	0.3315364246013928	1.454814914286156	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Glu-3-b_2	2.111874336637787	142.4329663711283	1.654852955579905	3.111099294688348	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-3-b_2	2.122952161446912	562.3630507056888	4.588378601119421	3.924729507762504	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-3-b_2	2.104703947526048	32.22454804481785	0.6838261480313376	1.64426606277008	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Glu-3-b_2	2.105229437737883	44.23893223424719	0.7307922557921034	2.635498007486309	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-3-b_2	2.105004343799765	60.87037954184688	1.278173224382857	1.862413548664833	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-3-b_2	2.100095425925211	29.88419170513093	0.9933319443978155	1.13996123684682	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-3-b_2	2.112995205814688	67.26178217942781	1.314686424494615	2.118015730893106	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-3-b_2	2.10452566482797	34.62459415686992	0.8090844668677627	1.672467634321866	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-3-b_2	2.117482531944292	44.36253569567625	1.194138766692435	1.36966113003319	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Glu-3-b_2	2.104770555070522	43.85468308158597	0.9601348849009831	2.177075370684649	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-3-b_2	2.099945555003334	19.99981072871926	0.4540066702318894	1.537073423555965	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-3-b_2	2.122492933846823	1225.463911779618	9.56042108749233	3.953003301580401	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Glu-3-b_3	2.116560112091951	115.0869639397021	1.837783132847971	2.170926583256541	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-3-b_3	2.113195789120126	94.99528444889772	1.804968105511274	2.337434944738025	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Glu-3-b_3	2.113428282398364	159.8409574696044	1.774407994813036	3.150865436547267	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-3-b_3	2.113535600519576	287.671905824193	3.486582881162251	3.103445912964319	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-3-b_3	2.104257134763152	76.63860107586771	1.919840402979959	1.431228696689909	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-3-b_3	2.117600395292103	49.73991023969816	1.315140753481192	1.3559989560473	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-3-b_3	2.112899127998832	135.2321405912801	1.889043108640247	2.661012178296266	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-3-b_3	2.122557715800417	1409.637712550671	9.801463491951308	4.425315302753216	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Glu-3-b_3	2.113127673430254	197.2053509820165	2.580820784327737	2.920359902845602	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-3-b_3	2.105824330922682	17.25490517462362	0.359057534666705	1.676793159935801	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-3-b_4	2.12142365179612	455.3882992012147	4.701988440874742	3.356804172723627	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-3-b_4	2.117853756398029	78.00522632591458	1.972483473295255	1.52777911937336	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Glu-3-b_4	2.122475863921185	570.0445809522868	5.470662417992382	3.206243789706806	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-3-b_4	2.118211259984769	296.7834401092672	4.702374547987136	2.202183010984847	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-3-b_4	2.105926721158687	50.13747826369661	1.397687108543823	1.365933633793381	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-3-b_4	2.122810035359908	1415.410246083507	8.58481929859393	5.413154420473492	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-3-b_4	2.117614769230165	132.7277509921794	2.683288829747124	1.823668428210358	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-3-b_4	2.117885319436562	262.8306377528687	4.11828749279486	2.212197036311249	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-3-b_4	2.113216686178267	42.5102633416849	0.9845843825075489	1.854312333770653	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-3-b_5	2.123236700927339	1124.803726401827	8.359762440798312	4.58935376089622	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Glu-3-b_5	2.122518512102264	821.9459088030475	10.61656579918568	2.653586107586396	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-3-b_5	2.113416154698589	836.58715207809	6.065476434936821	4.351902596771838	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-3-b_5	2.122406474263368	910.4520176009509	7.894682725372232	3.685502881234969	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-3-b_5	2.122284626054815	549.6357078876705	8.40542721849502	2.234410544437908	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-3-b_5	2.117728363970107	44.2545994243805	0.8871381462243061	1.731047804787916	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-3-b_6	2.117880712758491	164.0424363894047	3.11722845126185	1.87070593202229	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-3-b_6	2.122213254937984	468.3841308157026	7.23420536462405	2.21688640407308	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-3-b_7	2.1223099031402	854.5465334033922	11.74373130075604	2.464677712833799	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-4_1	2.323641243676918	168.0911759936315	1.648348388160468	3.137787610759153	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-4_1	2.323459007574987	271.8661517812988	4.235050495472997	2.182560037562232	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Glu-4_1	2.323076234681396	20.93909052996315	0.452258189208832	1.634158030058787	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-4_1	2.323372549772785	47.4023151647142	0.8876006919480752	1.92479770991938	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-4_1	2.323541645006819	186.7417893832333	1.92116612453395	3.551344775712703	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Glu-4_1	2.323305259864633	121.3752083223333	2.419495298856568	1.753499178549585	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-4_1	2.323350138767416	569.325432228634	7.50159977657434	2.491159958571732	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-4_1	2.319367653020079	56.31053497150386	1.376868790936121	1.487264519897354	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-4_1	2.323053999156868	168.2301146970028	2.938793047722791	1.9853018737591	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-4_1	2.3229067969779	213.9253874810814	3.392265547978212	2.200409174405638	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-4_1	2.323455147877766	250.0290113207389	2.61942527937167	3.458289848464712	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Glu-4_1	2.323068460313925	291.6520692803467	5.240834325186579	1.961848144678983	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-4_1	2.322860778467672	217.7361329840295	3.460880297330148	2.220624309038042	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-4_1	2.323046838132061	285.4198368059053	3.044803704880346	2.991390569639845	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Glu-4_10	2.352079348045369	229.34782956453	2.629894858025493	3.042896705491871	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-4_10	2.356362442123537	185.6674125245101	3.152770818496188	2.069642228749561	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-4_10	2.356450795124137	206.9730070773146	4.054205209977757	1.796966506687412	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-4_10	2.356375108035993	176.4923715407582	2.973792098823922	2.060232615165452	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-4_11	2.356520563353566	358.4027920844449	6.890467966300772	1.820127072940435	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-4_11	2.359908254731323	50.31595593646563	0.8669561150827426	2.060579771964855	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-4_2	2.330500770090306	93.24226991288428	1.572943670373264	2.075562087985288	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-4_2	2.330423252330374	210.7949029345651	4.079671269637172	1.845685561254927	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Glu-4_2	2.330111676969104	21.83411282896425	0.5159080279955628	1.527666730770154	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-4_2	2.330303221760741	47.34820024509732	0.8876811620347669	1.875181290471945	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-4_2	2.329861686348437	111.071154700496	1.829616810852616	2.148404485008045	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Glu-4_2	2.330285488561871	116.2083271040166	2.599455259864684	1.60614047823685	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-4_2	2.330342429822711	493.0134256779762	7.302421093674765	2.247520469433387	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-4_2	2.323114876244165	665.394663245109	10.06087556182178	2.251366634853556	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-4_2	2.330029599732069	163.1954446337436	3.0302987297006	1.881411114727008	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-4_2	2.326097198914362	152.3458429527586	1.263759428638276	4.322132105635987	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-4_2	2.329882786754214	185.0644036910524	2.909569461990233	2.204764252155221	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Glu-4_2	2.326455296068017	81.04390091769606	1.582640289559605	1.835966333980913	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-4_2	2.326330825051672	397.6898027491206	3.120257767611408	4.041832029868827	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-4_2	2.329816558474618	258.6692304277776	3.388093344584966	2.543983525016128	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Glu-4_3	2.334291395410431	73.550607154256	1.348097295496549	1.955718043282075	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-4_3	2.334272085732353	207.5048799917045	3.908754826882946	1.856785731716698	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Glu-4_3	2.334047095593144	39.84606435365066	0.6278100575006359	2.204669001432161	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-4_3	2.33660059767156	36.29123307623868	0.5958630210594917	2.09572249030235	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-4_3	2.333780164801865	63.81407356311596	1.311437863758046	1.739461480645713	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Glu-4_3	2.334107117005614	113.399277356526	2.326162267905818	1.722942735302541	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-4_3	2.334344905737301	432.325967125731	6.880313747662403	2.187353010531674	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-4_3	2.32638864449641	186.3699618272845	3.220733645022404	2.039726055516863	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-4_3	2.333948761133164	138.7595560806903	2.836319392216327	1.754670207685111	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-4_3	2.330074851680547	212.6287922822587	3.582297437129804	2.084571564377989	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-4_3	2.333798645517649	123.8631936236785	2.376983261477158	1.87940433741881	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Glu-4_3	2.33014538705831	348.7066867876678	5.850796692553843	2.055773267383862	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-4_3	2.329918353327307	250.7902559340571	3.958602650422814	2.221950857108501	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-4_3	2.333795112460041	154.453053688266	2.842742524910063	1.963359009144156	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Glu-4_4	2.337196254421271	46.07143886018808	1.055796857659628	1.565961067654979	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-4_4	2.337176078679201	258.6713103928769	4.411197388023822	1.992686699022247	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Glu-4_4	2.344190550340454	26.33832745293043	0.5276478394748456	1.750681046175798	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-4_4	2.343202503229798	588.7379989910033	2.147043496911011	9.937352567909333	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-4_4	2.336517887389047	44.36773057715821	0.9400463866244441	1.615909260412131	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Glu-4_4	2.33703198002018	175.7637768050849	2.915740473421382	2.010857668941932	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-4_4	2.337172966801797	379.425828691284	6.734202895448297	1.954627087607998	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-4_4	2.330127035655099	946.2167670695909	12.03929708216431	2.54165053150923	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-4_4	2.336800256387213	165.1381015375844	3.179965061321042	1.787677276386645	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-4_4	2.333979552087876	266.623176798305	3.817075735087596	2.406377310453835	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-4_4	2.336685216531777	90.31315540188314	1.971296538211179	1.627772261734862	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Glu-4_4	2.33393577279594	293.7224378044682	5.438817573947903	1.90899499840039	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-4_4	2.333709504526475	361.5397515373482	4.436698387154426	2.681572595300697	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-4_4	2.336662861575361	104.3015436418897	2.257711977174509	1.67400839262752	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Glu-4_5	2.34361083190131	706.7102507769256	2.880676710895676	8.075466554229266	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-4_5	2.342380555327293	250.7497449947302	3.883201912924751	2.127209957074559	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Glu-4_5	2.356440587037388	20.9162205583963	0.4542773178956013	1.641063308657793	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-4_5	2.356689356148445	30.54309607455296	0.6987118117538419	1.605676005149851	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-4_5	2.34280097041825	842.8613857743941	3.307719922795966	9.958509056562532	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Glu-4_5	2.342218022734297	131.3864889449048	2.421903143130712	1.857706742325623	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-4_5	2.342424239891891	544.8770755055867	6.991769545570544	2.583880501166387	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-4_5	2.333934286770985	611.0248669642313	9.78776387113212	2.125127965743308	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-4_5	2.34204876703747	155.2675712829169	2.77401490543034	1.925456262692522	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-4_5	2.336851413415001	249.1178770136893	3.811182895378956	2.236682057727823	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-4_5	2.342284084768168	1015.001965319398	4.655507125624718	7.400562666701596	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Glu-4_5	2.33689011062159	306.8217873727708	5.58925327215327	1.90899499840039	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-4_5	2.336800263950976	526.2237232039499	5.651057001409822	3.208066728811886	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-4_5	2.342448407940753	1042.700961907677	4.882575589468502	7.191817921911634	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Glu-4_6	2.348335095295069	24.74355588238295	0.6772618520347072	1.31697833285259	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-4_6	2.344779635903669	281.6706557311098	4.456924056269858	2.138342590188966	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Glu-4_6	2.356435910026736	42.80187829411339	0.9644296312402484	1.635469625607682	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Glu-4_6	2.344607864854532	168.2300057569979	2.978180760946914	1.967917475030186	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-4_6	2.344872462699879	463.9430414190288	6.746496606153936	2.315836747414903	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-4_6	2.336928426936288	727.0353340729421	11.17921098970559	2.222299211573148	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-4_6	2.344351064413479	187.2578158650864	3.194337261819291	2.0131103882236	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-4_6	2.342093557994325	278.9626252058766	3.876963917378364	2.498104431582548	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-4_6	2.347806544390776	99.38436373607774	1.721593308918716	1.923791293440994	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Glu-4_6	2.342035302754446	558.3344478929936	6.010348300497163	2.953611328816099	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-4_6	2.341629591638296	440.4932199636063	5.132991523782412	3.14235220198927	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-4_6	2.347797651254878	102.5251837198808	1.792800325105188	1.904756990577231	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Glu-4_7	2.356857914000367	47.93443085040784	0.9481504883298035	1.775978083029818	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-4_7	2.348269263751209	149.6751473889078	3.051567711408256	1.741153478540551	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Glu-4_7	2.34805856170123	97.22213845877667	2.159593442652014	1.603462400776819	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-4_7	2.348244439723413	306.2097825510717	5.372336946798915	1.988831127576739	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-4_7	2.341884621918807	1093.340878089312	11.04597924963182	3.19768838363357	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-4_7	2.347832731612141	119.8063470012231	2.389264969246391	1.765910715449584	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-4_7	2.344389431693459	249.7664852044696	3.688150962130535	2.306603399953556	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-4_7	2.35631705298505	75.67141653268068	1.55675492917069	1.70126455452229	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Glu-4_7	2.344558907143856	423.3400993138873	5.687371891528449	2.415845864807158	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-4_7	2.344616058702902	359.8095315628723	4.645534127050309	2.62919107697776	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-4_7	2.356285939309902	70.71042858264765	1.561458428369677	1.622060565725186	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Glu-4_8	2.356736814214434	151.1975007361774	3.183267291185081	1.697895949013465	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Glu-4_8	2.356610921036262	89.77042405059738	2.088854687818753	1.567126812439574	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-4_8	2.356722480698154	301.4920739603735	5.37465712213084	1.968916608296013	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-4_8	2.344622262999228	731.5852390245022	10.33334576849377	2.37675406073792	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-4_8	2.356364461123396	122.6322006468135	2.441622546399359	1.754954794520346	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-4_8	2.347873665287728	233.5172008201557	3.303465271566284	2.382439100305015	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-4_8	2.347997446070793	235.6081677662512	4.466008034122354	1.852539764054291	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-4_8	2.347893950048142	275.1517443204075	4.05189402799148	2.323070845965078	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-4_9	2.347992604011373	474.5967824741542	8.27144153236585	1.995042822827698	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-4_9	2.352252456333053	21.06647281273503	0.5771680965537501	1.517536761488998	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-4_9	2.35201914611889	63.58388877530442	1.194818267563172	2.190507023068907	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-4_9	2.351438817993695	148.8525230925567	1.707675985732591	3.131453365759591	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Gly_1	3.544500427720386	714.5706495343597	15.28713629722231	1.630985115419839	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Gly_1	3.546176217632517	633.7462493717137	15.45803579692044	1.466905805374775	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Gly_1	3.546133572435064	1029.884890743154	24.98694393845127	1.47656751072363	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Gly_1	3.541572465891895	574.9412549568654	11.49080696452491	1.757233111725259	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Gly_1	3.54586408282699	484.6545747750063	11.09224987706905	1.559857102805869	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Gly_1	3.54571708848428	901.060473433362	20.24713515184409	1.566642369257822	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Gly_1	3.545986024657964	1200.949458582319	29.34551818129425	1.427952987659834	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Gly_1	3.546345823848712	2491.614484984061	51.84105611326912	1.693829243336518	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Gly_1	3.546286707416916	2645.243877429578	59.31974274791961	1.577635593560732	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Gly_1	3.545771731826449	1412.953191320446	33.03536465886667	1.509529088523461	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Gly_1	3.545764222151404	1325.626051938182	28.02425031067818	1.695952251913725	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Gly_1	3.545789636484819	1557.197147727092	36.37739269599734	1.51327026687572	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Gly_1	3.546055205773115	1726.871122393695	39.52801885811795	1.544084914271238	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Gly_1	3.545965723357307	2043.289480006953	42.78769893514617	1.665143435975574	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Gly_1	3.54581712245996	1292.432313027379	31.23295870895188	1.48086984795743	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Glycogen_1	5.398593355399282	169.0558412725676	2.936597322013751	2.149887758030406	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Glycogen_1	5.4064	22.556406	0.265083	2.969057	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Glycogen_1	5.40659	16.019708	0.230581	2.800489	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Glycogen_1	5.409646560673102	94.99075136826907	0.2710396454550482	14.8220289127215	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Glycogen_1	5.41313575042025	115.0814072841212	0.2965766759920274	11.93976576339529	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Glycogen_1	5.41483	195.114036	0.4773	14.332387	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Glycogen_1	5.414113301321593	247.0003757599208	0.6752478723043556	11.66046103852584	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Glycogen_1	5.41339	24.400722	0.33	2.58	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Glycogen_1	5.41336	17.87795	0.29	2.94	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Glycogen_1	5.40617	14.514158	0.14	3.617385	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Glycogen_1	5.40673	15.221016	0.19	2.795252	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Glycogen_1	5.41342	23.577653	0.19	4.329901	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Glycogen_1	5.40979	28.541369	0.23	4.329901	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Glycogen_1	5.413408284134174	83.04842056797253	0.3999033008037268	6.418539918539324	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Glycogen_1	5.41273	21.287462	0.24	4.23	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Glycogen_2	5.405111163295258	239.310054975141	3.378898579519524	2.486507015577581	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Ile_1	0.9955175119858597	72.60052039726396	1.158886663744541	2.122109229197557	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Ile_1	0.9972689171239019	47.11041718432242	0.9071896296575115	1.8296355260814	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Ile_1	0.9971550235152414	94.04100130258588	1.663403371538524	1.972652688082909	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Ile_1	0.9969817085609544	78.85282741158332	1.236365745195472	2.211079286522668	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Ile_1	0.9970248937001773	45.76181500767897	0.8344327936609012	1.960083989705721	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Ile_1	0.9968167083388173	97.40972528037696	1.739755482251234	1.950364230349068	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Ile_1	0.9970345782033593	84.18686028313533	1.669937623561984	1.793254947447625	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Ile_1	0.9971739156218727	183.6875861651662	3.184787076645786	2.038469333061923	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Ile_1	0.9969961762066291	203.7131759460544	3.536961951695139	2.009646601672357	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Ile_1	0.9968279153756463	102.6834578251724	1.821647439103607	1.934728293723329	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Ile_1	0.9967401527226454	101.6326288026572	1.607530737255612	2.227074623151396	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Ile_1	0.9967722765584628	104.7087143744541	1.885831267516438	1.940308782759843	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Ile_1	0.996926907649332	150.282764957366	2.768315255989057	1.906890672234555	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Ile_1	0.996820653099544	193.8319059267526	2.994841380939035	2.199371997070815	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Ile_1	0.9967886522113549	128.5106909102025	2.296385899318651	1.950169781531943	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Ile_2	1.007272440652778	83.13710322895604	1.246256726605897	2.320982415998631	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Ile_2	1.009008918947613	51.99299007578362	0.9505451471370182	1.924272973154716	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Ile_2	1.008891340317114	97.89105655842042	1.733132394734481	1.982781502501794	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Ile_2	1.008635675277915	64.54384259058386	1.092395317428363	2.067834530459733	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Ile_2	1.008759275454762	52.9670470765271	0.9356238295517332	1.970029745132937	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Ile_2	1.008537944322971	106.5742413490538	1.794656660356156	2.07549954852609	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Ile_2	1.008779435755941	101.4275789144376	1.837480544916142	1.926035425654809	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Ile_2	1.008886784496688	191.4844267760103	3.238960549723596	2.083625623916284	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Ile_2	1.008721850525905	202.3774310233324	3.696970414685912	1.949890413409746	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Ile_2	1.008539085575503	94.59217603893912	1.77678252500332	1.900091150985201	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Ile_2	1.008493556458891	98.07902552475129	1.624865847551836	2.143522807812479	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Ile_2	1.008511709625562	98.57770864011592	1.906871896657243	1.852595250719096	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Ile_2	1.008661682698971	151.8031994303557	2.919868098564669	1.863993036451831	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Ile_2	1.008575369533359	169.389721188829	2.908188674185931	2.055832530806899	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Ile_2	1.008500790944205	137.6769561094022	2.402536552161466	1.997741193621495	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Inosine-1'_1	6.089770450917872	71.47923066479616	1.240262742493831	2.105916041043569	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Inosine-1'_1	6.091705305252063	73.96326486758403	1.356671923704254	1.985762913275453	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Inosine-1'_1	6.091409753062405	90.63010446471154	1.717055031424177	1.966031852986653	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Inosine-1'_1	6.091706799405843	30.33780211214925	0.6279762933399008	1.92766823143137	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Inosine-1'_1	6.09164109067708	42.91445955783072	0.8610448020913045	1.935759367954671	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Inosine-1'_1	6.091278736719973	97.10484873342848	1.722833888275246	2.034872561802265	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Inosine-1'_1	6.091459984855955	70.62351674479811	1.446516948647689	1.821170596613401	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Inosine-1'_1	6.090814894087482	114.6950296386735	1.879224495054069	2.188227779544052	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Inosine-1'_1	6.090409913978027	104.6726824938056	1.789242010682372	2.071786867464061	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Inosine-1'_1	6.091091000412164	64.5821668264071	1.131262874799598	2.046801238380322	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Inosine-1'_1	6.091077291341164	96.71658574385313	1.664979106648298	2.123458937251375	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Inosine-1'_1	6.090979412321678	46.08648735852659	0.8607585687088859	1.919635829041561	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Inosine-1'_1	6.090753354721817	72.37115365909159	1.459868090011454	1.848318652341868	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Inosine-1'_1	6.09077544387883	41.24035893141202	0.782630740203835	1.935075680972906	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Inosine-1'_1	6.090953945506988	81.42065066808412	1.52462099100234	1.914693520847221	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Inosine-1'_2	6.099385170488151	77.4508335789843	1.314969486213817	2.111723315351859	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Inosine-1'_2	6.101249457645364	73.38958882552339	1.403242767786895	1.935523080805035	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Inosine-1'_2	6.100975218236245	98.45505782499716	1.865841691981183	1.923783111831049	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Inosine-1'_2	6.101288270910189	30.81419555028549	0.650162789269213	1.804174408533414	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Inosine-1'_2	6.101149340723246	59.01046197260339	1.004507272502428	2.093071310374845	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Inosine-1'_2	6.100768559094915	102.9382726961696	1.820089480056285	2.030527627389604	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Inosine-1'_2	6.10097691096896	73.50531910807737	1.506333028619464	1.779447688805864	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Inosine-1'_2	6.100466330949352	131.1681670051119	2.027637940282774	2.25719459699546	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Inosine-1'_2	6.100101641845805	108.2394820463322	1.898776980502636	2.037073974662945	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Inosine-1'_2	6.100657792962619	57.11174526852695	1.174131273894629	1.801595173165783	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Inosine-1'_2	6.100611723132737	102.135289096929	1.742740975227973	2.132463360508384	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Inosine-1'_2	6.100553368725336	49.32305411857696	0.9422554402368041	1.868483002660535	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Inosine-1'_2	6.100370603774935	87.88822058299772	1.642618097829249	1.972630006123991	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Inosine-1'_2	6.100418934330328	52.86184555870423	0.9187693480130517	2.032962534689029	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Inosine-1'_2	6.10052160607906	86.70619674402323	1.687332077697468	1.854327861519274	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Lac-2_1	4.084439473819862	195.577577748102	3.277281533840224	2.027928144083099	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Lac-2_1	4.086185776899416	70.31114502876522	1.601575510501248	1.53181991882601	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Lac-2_1	4.086196451952808	248.8298451503543	5.640520480931876	1.571345855661002	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Lac-2_1	4.086123292621817	82.17111101821253	1.734770752574936	1.736994949963452	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Lac-2_1	4.085931713531807	92.56683334786808	1.886915185510556	1.727158066591444	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Lac-2_1	4.085739425733598	118.5071597886632	2.373284852710297	1.739620287181884	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Lac-2_1	4.086002256574185	153.4719390116849	3.472710983692552	1.534908450475022	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Lac-2_1	4.086347358404079	413.6857006048209	8.125455636170724	1.808285309698401	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Lac-2_1	4.086251957318811	369.6574863554318	7.322833203199632	1.750971641784075	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Lac-2_1	4.085814903533365	210.91347878111	4.23032620597446	1.708131410205672	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Lac-2_1	4.085823694837543	296.4824805295492	5.467780001286885	1.891990558053835	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Lac-2_1	4.085797388466172	141.4010507138243	3.086871415371258	1.624250884443062	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Lac-2_1	4.086050511545113	219.3059158207115	4.954220928606385	1.578075428595229	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Lac-2_1	4.085871606485444	95.77633793703562	1.881587976243908	1.776088735146194	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Lac-2_1	4.085817604923299	82.16439170741604	1.877746784113482	1.5420741485217	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Lac-2_2	4.095981839107847	350.3098760537557	7.433806451715254	1.64426606277008	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Lac-2_2	4.097811257572923	228.1224944748707	5.173155916884171	1.53181991882601	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Lac-2_2	4.097769760827515	878.4247807798158	17.55337893579469	1.694064519760932	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Lac-2_2	4.097471378971203	356.4760779183099	5.147253330547759	2.162187218248723	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Lac-2_2	4.097508265945084	372.1648783582029	6.145883661760345	1.949623966162155	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Lac-2_2	4.09733153267275	503.5817387383908	7.776482631618945	2.024076588473202	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Lac-2_2	4.097614865711946	455.3991413936521	10.5861178108529	1.488150013132029	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Lac-2_2	4.097992166370275	1347.307781285657	24.35176524087212	1.850980216714674	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Lac-2_2	4.097851606914549	999.3292131390011	21.08858947009298	1.651091694931106	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Lac-2_2	4.097407402469021	545.3637531940725	12.20347298160705	1.5546402488853	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Lac-2_2	4.097415753646319	1066.081719354108	17.2263780589352	2.058672130663469	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Lac-2_2	4.097404449816123	389.713919780301	8.764833430968356	1.551433670087265	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Lac-2_2	4.097656979875378	675.8426358338027	14.98551001583013	1.579192192054861	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Lac-2_2	4.097585692930217	279.1005068595192	5.491531880173298	1.727087601311153	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Lac-2_2	4.097402504146635	226.4576244826551	5.546387591928943	1.451928649050301	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Lac-2_3	4.107690955854237	894.51733328526	11.29005617516461	2.499029663959064	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Lac-2_3	4.109484509851776	329.1024682937057	6.233281905649656	1.79416186401121	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Lac-2_3	4.109419648369986	935.0704949307597	18.70075330612526	1.713848914434409	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Lac-2_3	4.109206012069908	385.2287003697096	5.528933735391425	2.236937266687755	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Lac-2_3	4.109146469145258	411.1885739137214	6.722252709450442	2.008558398675864	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Lac-2_3	4.10911581864803	581.7986131441947	8.519645370979585	2.29056447427357	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Lac-2_3	4.109286128828176	552.258873836117	11.50329971114062	1.648130345077858	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Lac-2_3	4.109621284456214	1461.36479805693	26.61900369880072	1.876395729764104	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Lac-2_3	4.10961649872656	1760.670118155896	26.30341477359067	2.171646971404344	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Lac-2_3	4.109083973050962	616.1246798635874	12.96086672936553	1.658691128800269	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Lac-2_3	4.109055086670056	1116.478366181905	18.11720597672607	2.056415619704911	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Lac-2_3	4.109204910906087	666.4396225992298	10.90428463568002	2.046654585490115	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Lac-2_3	4.109396643627215	1211.262589402956	18.87824213638111	2.066230898684094	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Lac-2_3	4.109530732071862	689.1500188779347	8.497059145756902	2.651751366213206	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Lac-2_3	4.109240447882349	493.3473551021268	7.895613999841521	2.103091382919151	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Lac-2_4	4.119185173590553	350.0033239392214	4.284662148254279	2.578300552468526	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Lac-2_4	4.120858204539361	120.957916816248	2.344905403212108	1.813896079950224	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Lac-2_4	4.120889446995224	392.1483729695654	7.043383612229858	1.882645584535653	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Lac-2_4	4.12055514628047	129.514874467134	2.134828655540015	2.098732465990615	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Lac-2_4	4.120604461141188	128.3023921751644	2.431337977822143	1.855399642501323	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Lac-2_4	4.120463960519481	175.474533211256	3.207720777440003	1.910012787613204	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Lac-2_4	4.120730795585821	244.572887174973	4.594265371901962	1.787952137327431	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Lac-2_4	4.121022879823686	695.0371192167584	10.35427219904356	2.259685441170237	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Lac-2_4	4.120938038041834	727.4927993543498	10.5932850700855	2.259516109490941	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Lac-2_4	4.120506739343454	311.4517317661839	5.242432354278534	1.967511605990329	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Lac-2_4	4.12048268498768	365.7038265710502	6.27187443598204	2.040918704536542	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Lac-2_4	4.120530629543439	254.6327167949934	4.494888554051194	1.936672353647012	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Lac-2_4	4.120720202209043	409.212246767192	6.977279842737182	1.993011162679626	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Lac-2_4	4.120664211938625	384.5713628051011	4.873390914477739	2.655187484237548	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Lac-2_4	4.120485227300719	179.039924761189	3.295070990597837	1.907935312797828	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Lac-3_1	1.303763002210531	212853.5382599668	371.3403828312915	20.01958033236467	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Lac-3_1	1.313506749404671	2032.760528803411	38.24421706873308	1.796136543284851	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Lac-3_1	1.313460801391605	5897.807553437615	116.6527663734589	1.718077717641909	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Lac-3_1	1.313181834800352	1919.169156311073	32.15119322498595	2.000830958864372	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Lac-3_1	1.313245370418848	2354.033013182185	41.6509416555504	1.920591378636922	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Lac-3_1	1.313050904503584	2969.136521968537	53.73482639044952	1.881008157744373	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Lac-3_1	1.31329964037082	3444.841290105608	73.41459504014514	1.635471173731502	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Lac-3_1	1.313570823417625	10155.51189051331	166.6598766232346	2.002815376668563	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Lac-3_1	1.313419469850166	8291.12869936272	158.8538372124711	1.811791091741948	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Lac-3_1	1.313099132507838	4277.296112355423	85.82065891845869	1.726267515222542	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Lac-3_1	1.313068041672449	6180.448638370524	108.0054493793631	1.944561055891919	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Lac-3_1	1.313119917125552	3917.61571999979	73.24274279273962	1.823483547810207	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Lac-3_1	1.313293175195493	5382.900154685331	110.1742978034038	1.720692202107696	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Lac-3_1	1.313290368523514	3287.795449696283	55.42035906629089	2.015963687922875	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Lac-3_1	1.313110850805623	2538.344316635868	50.51217212159977	1.753417953787036	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Lac-3_2	1.311762618528015	21517.47108721082	137.172106548283	5.087067105355712	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Lac-3_2	1.325044644239723	2086.113387398643	38.69835298848452	1.809176711602507	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Lac-3_2	1.325000826910515	5953.530903602045	121.2924995121275	1.699145581988355	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Lac-3_2	1.324697889569345	1978.25307497913	33.10061917323229	1.980082774794244	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Lac-3_2	1.324790317654376	2460.766962961276	42.95416001617177	1.911303646055647	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Lac-3_2	1.324536815291725	3340.587179779207	56.29217661603219	1.932548997358227	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Lac-3_2	1.32482796672204	3364.414127798006	74.51356195275358	1.575451670499043	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Lac-3_2	1.325111140192526	9533.54108245237	163.7395227716451	1.981233236307128	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Lac-3_2	1.324968525187154	9100.064831002303	163.4259821380987	1.869801948991479	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Lac-3_2	1.324629831983164	4069.368975456658	85.97778029188831	1.652190427951588	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Lac-3_2	1.324599976305924	6144.660725514758	109.2174911747215	1.936673764291878	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Lac-3_2	1.324632594552992	3886.124989260004	73.09418986030282	1.768762150337328	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Lac-3_2	1.32481065128346	6009.571555227162	118.1011172902173	1.759057207960677	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Lac-3_2	1.324698067592701	3312.573233089207	55.52613063649503	1.975729415404868	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Lac-3_2	1.324564295219732	2753.914296744996	51.39274082390742	1.732369750079143	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Lac-3_3	1.322088799960026	19921.09348296813	74.71166319393825	8.466033127061511	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Lac13C-A_1	1.195383386567941	318.8211124799676	4.783513095981644	2.207290497662027	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Lac13C-A_1	1.197015959125459	306.3511932738823	6.214566598547311	1.727409279256928	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Lac13C-A_1	1.19691216590517	380.8915895033217	7.129549037319387	1.856351973207816	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Lac13C-A_1	1.196678713501519	229.902328622836	4.232377175053014	1.890284127216583	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Lac13C-A_1	1.196773260733182	347.2868361827694	6.215392753943533	1.898207286596698	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Lac13C-A_1	1.196558085554162	709.9415013142265	12.40401215082227	1.9436646778607	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Lac13C-A_1	1.196784540052608	497.7435282712499	10.11997772338813	1.711769679300811	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Lac13C-A_1	1.197045233916227	716.3986438366634	11.36529108367092	2.155826770389648	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Lac13C-A_1	1.196932841477305	1538.597582691278	26.6280829603929	1.958788117462363	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Lac13C-A_1	1.19651208617424	412.355794069103	7.791525389334772	1.845265156773377	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Lac13C-A_1	1.196467103083846	364.9159620267995	6.304752374195107	2.03800322685418	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Lac13C-A_1	1.19660421953915	926.5820759513877	17.90969679182373	1.797805723986436	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Lac13C-A_1	1.196740790867125	794.3386368920982	15.02871477110904	1.851838767554281	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Lac13C-A_1	1.196727311662254	1312.347289619094	21.55928343762222	2.04146643074904	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Lac13C-A_1	1.196592469757446	1097.246291725731	19.01781148979782	1.91074605516064	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Lac13C-A_2	1.202550168115968	676.6321916681611	9.860487980623928	2.310951401571405	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Lac13C-A_2	1.20418023517993	745.3571671765824	13.33567794316007	1.950339215890279	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Lac13C-A_2	1.200625532173418	73.44081515940628	1.963588579149873	1.419096051512487	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Lac13C-A_2	1.203840964312741	486.9501792624579	8.692314009621525	1.990879242481724	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Lac13C-A_2	1.203903994403111	793.3132802382372	13.23558556427198	2.09009387507402	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Lac13C-A_2	1.203675126361309	1507.656989953573	25.37167748074458	2.077726959520288	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Lac13C-A_2	1.200454839616954	81.90622466763324	2.383795887202111	1.327866915600234	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Lac13C-A_2	1.200807813398396	124.847042109815	3.394425692756422	1.395522207209173	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Lac13C-A_2	1.204057302981731	3304.092365281075	54.58810674356095	2.114202524970185	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Lac13C-A_2	1.200254307699764	75.26733894925212	2.04477469471546	1.357102551000815	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Lac13C-A_2	1.200203267757461	73.97091676167445	1.626119742955711	1.620070787841448	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Lac13C-A_2	1.203704880505124	1914.189146550048	35.86203657852352	1.892882695807832	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Lac13C-A_2	1.200414250186731	105.6495168608831	2.972851985344847	1.343124518357605	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Lac13C-A_2	1.203808915838361	2537.357829663534	42.46003627589769	2.084332788339468	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Lac13C-A_2	1.203684484326064	2096.913536481945	37.08942687507152	1.981675054910337	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Lac13C-A_3	1.20691992838459	325.1481704368132	5.261035307633592	2.100184014798164	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Lac13C-A_3	1.208506583110558	338.5769628593485	6.873712690958663	1.734820090759631	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Lac13C-A_3	1.204169956118485	885.8545412190241	15.51364351148353	1.998855031981223	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Lac13C-A_3	1.208068005809088	220.2499124085367	4.265667387809209	1.790988506584632	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Lac13C-A_3	1.208222223602233	374.3442671920657	6.807829857416204	1.918639824772426	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Lac13C-A_3	1.207953867780762	595.4610002004865	12.18472392222638	1.708531353672135	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Lac13C-A_3	1.204011807902544	1178.925553778331	21.54151312305677	1.930455196100838	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Lac13C-A_3	1.204343536336323	1819.092733098958	26.28871005584864	2.374154692085459	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Lac13C-A_3	1.208409839673787	1494.113644241244	28.59863740096475	1.825007078884639	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Lac13C-A_3	1.20384430568217	983.6212496844495	16.60943027379871	2.072683393933459	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Lac13C-A_3	1.203826410786831	913.4477946992603	14.19833114001213	2.262289940892077	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Lac13C-A_3	1.208069453933886	988.9040405389702	19.19579658055984	1.801502900963258	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Lac13C-A_3	1.203961469275715	1909.728872443477	31.15329749253029	2.128008941950422	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Lac13C-A_3	1.20828643976021	1293.889749974412	23.26559295217463	1.940502060938051	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Lac13C-A_3	1.208095994766236	956.906204201301	19.40965147041154	1.739283401012882	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Lac13C-A_4	1.209766254788686	297.7703370555034	4.811249347755677	2.15950656520145	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Lac13C-A_4	1.211333613403385	374.910010081275	6.601768707670824	1.973722676296076	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Lac13C-A_4	1.208378246673591	399.4461908800909	8.216199696022915	1.735014124574395	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Lac13C-A_4	1.210858880520839	286.2530462503714	4.614348389890623	2.154772854798793	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Lac13C-A_4	1.211041050741292	406.2980609314761	6.687761723233608	2.096823778753403	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Lac13C-A_4	1.210690669373429	861.7892932329315	13.67606472940122	2.15831477212858	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Lac13C-A_4	1.208215688119935	563.7512220972452	11.57499852499545	1.706756624555084	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Lac13C-A_4	1.208532463765902	728.4990954557435	13.23376087355598	1.931600307822567	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Lac13C-A_4	1.211225415571309	1638.800947824562	28.20528237281314	2.065820934807681	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Lac13C-A_4	1.208007249369292	440.0405172244485	8.763517422980748	1.766347458805463	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Lac13C-A_4	1.208044909180577	482.6518625353815	7.615922120181027	2.1786723339746	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Lac13C-A_4	1.210840797995329	1018.976393240242	18.42814019298077	1.919950540723331	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Lac13C-A_4	1.208221234737987	892.290193251651	17.30351951002904	1.828192262154976	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Lac13C-A_4	1.211009953662681	1207.701669469891	21.46573288350461	1.94928959839117	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Lac13C-A_4	1.210846504344989	1064.045878736404	19.45605834556098	1.909748972355025	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Lac13C-A_5	1.214167876004185	824.4920805547088	10.65210715752994	2.563234782113479	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Lac13C-A_5	1.215752603593999	704.7453154505072	12.87056151937677	1.912276955343036	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Lac13C-A_5	1.211343565491712	466.5697996397969	8.131813474703948	2.042749612359302	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Lac13C-A_5	1.215394262585541	523.3221038645664	8.860122369138042	2.056076383390077	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Lac13C-A_5	1.215491554087207	766.6410224528607	12.91772350110448	2.070316354999044	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Lac13C-A_5	1.215277231290554	1508.423625100133	24.98540719870106	2.096243882298825	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Lac13C-A_5	1.211121567532564	618.8075076101251	10.91218153416546	1.992939731710546	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Lac13C-A_5	1.211557307665976	804.6794756746383	12.60965334037983	2.235723134257577	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Lac13C-A_5	1.215669718275425	2966.84021022689	53.94072282807324	1.953583897721363	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Lac13C-A_5	1.210989975868568	507.8267997308559	8.57177609442854	2.092003906461517	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Lac13C-A_5	1.211029143539565	406.7307095649288	6.694854186094946	2.140348310180776	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Lac13C-A_5	1.215310483906744	2134.476170417804	36.60417171066927	1.991812051375059	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Lac13C-A_5	1.211152071415802	894.5730919470352	15.78968755316342	2.015470760833437	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Lac13C-A_5	1.215408078834738	2662.652706610413	43.84354991079613	2.09705564434712	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Lac13C-A_5	1.2152776499343	1968.314368228826	36.64935403729027	1.88760071178751	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Lac13C-A_6	1.221336930981658	297.9517366445627	4.773778947602262	2.177782871005275	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Lac13C-A_6	1.222751782046079	296.4664301489959	6.106546744724107	1.693989832868459	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Lac13C-A_6	1.215754348247593	858.227269666767	15.06121922013822	1.998855031981223	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Lac13C-A_6	1.222406459437517	207.3755780867285	4.092001472085341	1.798793891950488	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Lac13C-A_6	1.222472365933514	356.783972084311	6.352087488587666	1.95558743050288	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Lac13C-A_6	1.222249981554506	663.1535222375405	12.60623381582063	1.835522379843638	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Lac13C-A_6	1.215584165361325	1281.769667522655	21.48374564564735	2.050456316568653	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Lac13C-A_6	1.215954775315487	1662.210673394845	25.22171631571479	2.283852931323095	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Lac13C-A_6	1.219576279073981	209.3261179390195	4.600101235351864	1.587767804141839	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Lac13C-A_6	1.215437185729119	973.1041490627236	16.31579439263225	2.072683393933459	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Lac13C-A_6	1.215424585293798	943.3141675064659	14.15773297702325	2.316293983932314	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Lac13C-A_6	1.222336254357788	826.0637772196404	17.38482947099559	1.69873378921053	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Lac13C-A_6	1.215555437115236	1881.853953031643	31.09652732491422	2.096294445165394	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Lac13C-A_6	1.222410809367325	1186.764984337897	22.19336027492244	1.877423722742916	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Lac13C-A_6	1.222327661685621	937.904646280737	19.11075495104711	1.736491753150219	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Lac13C-A_7	1.219622411439327	74.21631123316247	1.92366992076596	1.422395525175966	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Lac13C-A_7	1.219517672827144	81.13113248023298	2.382758177177828	1.291910327438377	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Lac13C-A_7	1.219928034368965	160.3179693085566	3.803057585645465	1.5424580579906	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Lac13C-A_7	1.222684524396343	1360.60123815313	26.09238227895944	1.831992976821353	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Lac13C-A_7	1.219324912923606	96.46493556544553	2.338574419602812	1.468356502234289	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Lac13C-A_7	1.219384101221237	83.89058601782169	1.703991626439117	1.717816355177016	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Lac13C-A_7	1.2195412208146	143.4535057896752	3.501754654286965	1.49553970411139	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Lac13C-A_8	1.22269888037947	341.7481978049305	6.789957342728899	1.781547877080383	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Lac13C-A_8	1.222553493650928	473.5056166922585	9.788276770451434	1.687912212820322	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Lac13C-A_8	1.222810808788515	524.6968196583999	10.15470910380959	1.852539764054291	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Lac13C-A_8	1.222347711914329	343.2190086879083	7.085039901457768	1.70769818055063	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Lac13C-A_8	1.222329518203762	325.9451856070092	5.985665147729747	1.952354810050762	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Lac13C-A_8	1.22251853669087	696.1481966333529	14.11319298118734	1.748235770341489	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Lac13C-B_1	1.408429400670012	229.3997322251256	4.13692338087535	1.908099629745033	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Lac13C-B_1	1.410178452663108	321.6277594177193	6.494139131225315	1.775654761759843	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Lac13C-B_1	1.410055518187281	284.6845364462249	6.306316870123966	1.630731013051755	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Lac13C-B_1	1.409804741410282	215.5353528678138	4.092197376979684	1.854757811835493	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Lac13C-B_1	1.409890916658272	342.5767890911728	6.272268366091446	1.911271169404481	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Lac13C-B_1	1.40970815170787	608.5817272161073	12.24930089377876	1.781288234667587	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Lac13C-B_1	1.409962806236615	446.0310442337276	9.520176580700856	1.694099964021779	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Lac13C-B_1	1.410217668038376	662.7715074857526	10.95655771510215	2.093450185104749	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Lac13C-B_1	1.410108513119695	1338.033688220987	25.90650431382204	1.845280031648469	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Lac13C-B_1	1.409718906547563	361.8064502494486	7.087173538428511	1.781288234667587	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Lac13C-B_1	1.409693449712724	350.3627549749118	6.131515455284408	2.015695006720361	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Lac13C-B_1	1.40970815170787	837.1266477841939	17.34362931571911	1.726037353420784	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Lac13C-B_1	1.409907767610691	762.1215771901348	14.32780821198767	1.853517999591191	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Lac13C-B_1	1.409843035100716	1076.14862712362	20.75449871663506	1.828166071459201	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Lac13C-B_1	1.40970815170787	1020.402894134638	18.57844276033748	1.866421047633589	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Lac13C-B_2	1.415599347955687	668.2763559265655	9.675547536214888	2.318825029944573	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Lac13C-B_2	1.417272685206813	771.46166952213	13.27005096201459	2.010965633403512	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Lac13C-B_2	1.413783620583666	250.6482893858339	2.641696019169479	2.919507124052717	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Lac13C-B_2	1.416906979409952	624.8745410282005	9.274225856950927	2.2896147437005	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Lac13C-B_2	1.416994716959312	774.4782991450883	12.85449148455502	2.09499499204165	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Lac13C-B_2	1.416766357094879	1516.27594570284	25.5480391227011	2.055090359152488	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Lac13C-B_2	1.413559366060616	102.2313217518659	2.496348223017048	1.509838085908532	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Lac13C-B_2	1.413911745567116	141.1330578234896	3.483053271609007	1.493895438154869	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Lac13C-B_2	1.417168957711894	3308.079809802305	53.88506070967081	2.141288166176143	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Lac13C-B_2	1.413330090349156	77.04576721578023	2.059409771298546	1.381031397473858	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Lac13C-B_2	1.413331413503669	80.9127574207861	1.669499707892295	1.732440243200404	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Lac13C-B_2	1.416832145572612	1974.323245001907	35.57841023693813	1.940308782759843	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Lac13C-B_2	1.413546215666311	112.1062255303162	2.901665390059768	1.407875384434594	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Lac13C-B_2	1.416921563517979	2537.272604927121	41.86298116071657	2.103205031653285	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Lac13C-B_2	1.416808916867468	1992.627431278523	36.57298761798092	1.907935312797828	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Lac13C-B_3	1.419883971365027	340.1741967477992	5.206737670002103	2.188193225920983	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Lac13C-B_3	1.421629483777546	310.86984993895	6.666145974643364	1.683695410534369	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Lac13C-B_3	1.417311485661103	785.5479348056925	14.21868004324336	1.965536302464603	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Lac13C-B_3	1.421179991849105	174.1431960176068	3.824010875087674	1.632728546002022	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Lac13C-B_3	1.421325155746638	350.3747751611368	6.492278005570951	1.893313653975151	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Lac13C-B_3	1.421084843546711	657.1027420577168	12.58834654293588	1.806395729481089	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Lac13C-B_3	1.41712287923971	1124.796850706557	20.68064607242287	1.930455196100838	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Lac13C-B_3	1.417457239344015	1777.801800400433	25.62660277651516	2.382136263928218	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Lac13C-B_3	1.421515196282672	1350.012901190042	27.27648062387687	1.761213737820718	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Lac13C-B_3	1.416939323252786	1020.197617440035	16.39503799178406	2.156792430102606	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Lac13C-B_3	1.416927367248748	900.7617414025234	13.88298799843441	2.273049208978133	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Lac13C-B_3	1.421219719593598	887.9729924610298	18.59295758424894	1.712421867382442	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Lac13C-B_3	1.417059720359034	1854.577954141815	30.16034994236482	2.140232770057789	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Lac13C-B_3	1.421405108533597	1181.503891919088	22.1043815812578	1.88323215686592	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Lac13C-B_3	1.421224193163756	956.2295401995693	18.89354572421621	1.765955063724905	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Lac13C-B_4	1.422733415975857	299.926960782937	4.680846097563444	2.178125563314592	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Lac13C-B_4	1.424412897411719	395.7379283081865	6.89260087067712	1.991365894473812	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Lac13C-B_4	1.421508130270869	389.8874085937077	7.996359540115893	1.742680422078003	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Lac13C-B_4	1.423881807281878	350.5949030998799	5.039314862989702	2.373934676851646	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Lac13C-B_4	1.424137952743232	429.9738128066675	6.708405533081836	2.177601233806579	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Lac13C-B_4	1.423817298987075	766.4430277424216	13.16175186832893	2.031348943756231	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Lac13C-B_4	1.421342397481083	543.8520113864291	11.27436587762881	1.692752146106932	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Lac13C-B_4	1.421661567902256	712.326253101571	12.93036450156598	1.934318479328903	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Lac13C-B_4	1.424335200616624	1790.093148741166	29.28513558134764	2.13284528290945	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Lac13C-B_4	1.421130961107994	426.916325264485	8.585926478398365	1.757641210232338	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Lac13C-B_4	1.421152397092253	447.6538076375908	7.319719561896684	2.126153974726815	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Lac13C-B_4	1.423945968060293	989.6138650242077	18.35921221277732	1.892277697094037	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Lac13C-B_4	1.421362538800463	888.5719760482253	16.67761021885252	1.863280281270261	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Lac13C-B_4	1.42411512396504	1205.049490312422	21.16806685905424	1.968298138529044	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Lac13C-B_4	1.423955843725738	1023.069837569669	18.79172842434158	1.897515777306896	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Lac13C-B_5	1.427241777728706	615.6861345624058	9.282797291824693	2.236301776899273	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Lac13C-B_5	1.428898402007073	703.6239358907555	12.79081231868002	1.920174253560797	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Lac13C-B_5	1.424454328362592	456.8513506301136	7.850674121279893	2.042749612359302	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Lac13C-B_5	1.428554967265568	552.4867378821192	8.914797619436138	2.123242836690805	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Lac13C-B_5	1.428624324074476	748.3667001405038	12.65359996091211	2.059538419508239	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Lac13C-B_5	1.428398788468549	1574.087847445929	25.45676300156614	2.120304445679758	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Lac13C-B_5	1.424221352285109	606.250736411574	10.81400905719985	1.970887144336273	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Lac13C-B_5	1.424657931712003	795.0410388877185	12.49414541513407	2.220311723503304	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Lac13C-B_5	1.428807089024878	2895.031746612404	52.54511615913714	1.97129279297568	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Lac13C-B_5	1.424080157708913	469.8830157930153	8.235680179986506	2.019281240167045	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Lac13C-B_5	1.424120383961556	408.839763927871	6.671193285580969	2.154682100114967	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Lac13C-B_5	1.428440022706906	2033.786092005461	36.18919719704104	1.940308782759843	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Lac13C-B_5	1.424237965264828	858.917254222025	15.21995625664693	1.992224360988855	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Lac13C-B_5	1.428534870216275	2446.540757489473	42.25968943268082	2.020026726287567	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Lac13C-B_5	1.42843784666675	1883.699706603337	35.76906586772346	1.873687888037055	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Lac13C-B_6	1.43417776172922	353.7699197834829	4.903769893542886	2.301972487878113	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Lac13C-B_6	1.435862505057958	315.7368074837214	6.269502616905479	1.771656656481368	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Lac13C-B_6	1.428888355216455	824.8146957481754	14.46757627729517	1.998855031981223	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Lac13C-B_6	1.435511610686959	221.3319294900028	4.219764842252089	1.851413212831576	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Lac13C-B_6	1.435599610487455	334.3417445222392	6.163503934023013	1.892752759702865	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Lac13C-B_6	1.435371283865174	666.2323631205294	12.49492034414729	1.852929503696954	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Lac13C-B_6	1.42872204038031	1251.686531619433	21.3137280838425	2.02034723043095	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Lac13C-B_6	1.4290764995948	1633.024464630892	25.16895447513856	2.256702967681794	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Lac13C-B_6	1.432735364412321	214.3053614943743	4.746928979658979	1.601520476094871	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Lac13C-B_6	1.428547941133504	1033.467861357095	16.54998578125245	2.146942872357133	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Lac13C-B_6	1.428547967936524	868.3336114773053	13.81566415456756	2.208313634796168	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Lac13C-B_6	1.435449543453486	925.4303352183928	18.08227720642127	1.785753746647481	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Lac13C-B_6	1.428669451451926	1892.360577125974	30.7427916982624	2.129783995384937	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Lac13C-B_6	1.43552389068655	1132.152146435274	21.49707555596	1.883937225474	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Lac13C-B_6	1.435430679467461	833.9780654157331	18.04299267810911	1.704109989155965	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Lac13C-B_7	1.432798218346923	73.00483904307269	1.832648748965584	1.428582533828776	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Lac13C-B_7	1.432607528615163	84.10213358540285	2.358022069530454	1.314954467170962	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Lac13C-B_7	1.433046428340967	153.5269435756746	3.781830001351818	1.496697964417988	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Lac13C-B_7	1.435806124231164	1273.89261319082	25.60452234866984	1.771307544682425	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Lac13C-B_7	1.432428487426228	82.02791996514895	2.190434080619529	1.364068237507366	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Lac13C-B_7	1.432442503197692	81.4731287889996	1.744685307107002	1.640485978748393	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Lac13C-B_7	1.432676089697751	118.5216765123153	3.256964765155727	1.364188030107558	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Lac13C-B_8	1.435816542851224	311.9761922630507	6.319686360159113	1.72249071407699	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Lac13C-B_8	1.435663226659204	447.696626095564	9.661832680183133	1.639820196364239	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Lac13C-B_8	1.435906999543302	478.0687642781007	9.594628784902337	1.852539764054291	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Lac13C-B_8	1.435449244814248	360.2992469627127	7.080084582490551	1.781288234667587	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Lac13C-B_8	1.435415623477698	299.1826142403719	5.591793557489576	1.929825033902325	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Lac13C-B_8	1.435628419344484	735.2833867941658	14.07366921268618	1.823602146822424	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Me-His A_1	7.09299921946146	63.78325964697859	0.5984824483885718	3.768016437228464	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Me-His A_1	7.092445428961129	46.99905579981915	0.3876664196680393	4.242448749142063	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Me-His A_1	7.092051879539365	73.04270346190427	0.7416008930566258	3.363806441067917	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Me-His A_1	7.094820422159843	33.66643724187802	0.2483669825078904	4.339705159511083	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Me-His A_1	7.091870459705728	33.12761349170208	0.3524428585066615	3.131049522124746	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Me-His A_1	7.09214460713133	64.35947032604194	0.6189011890520717	3.610712622329222	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Me-His A_1	7.092614514564412	37.66500168408523	0.5063995427435464	3.304506290185648	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Me-His A_1	7.091434982946826	89.54054401425728	0.9882853792248307	3.628673727068595	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Me-His A_1	7.091504929804924	160.0733768553439	1.517329391571052	3.681037126683629	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Me-His A_1	7.091410689623527	77.21756999017005	0.7575343215090516	3.481824987414039	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Me-His A_1	7.091413547329723	77.00830504583195	0.7501297056925637	3.488578105951204	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Me-His A_1	7.091083929952601	93.24484971810665	0.9980807481564129	3.263417323209513	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Me-His A_1	7.092373058188143	111.5081092580812	0.989883409233842	4.038768872062725	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Me-His A_1	7.091048017428919	85.83240448712131	0.9709082820479474	3.376639830096925	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Me-His A_1	7.091596312280125	74.80918306381363	0.800948438133425	3.641600961361388	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Me-His B_1	7.923875038982702	32.83238337520181	0.5168462680705171	2.230242474624192	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Me-His B_1	7.921869618569892	26.91914402640135	0.4970464374260256	1.906906197844644	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Me-His B_1	7.921015731058466	39.07331612644968	0.7365220534573462	1.851081230332826	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Me-His B_1	7.923864791551975	16.03045973021447	0.2674163495696906	2.105992076038275	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Me-His B_1	7.921417044447226	23.16158392713229	0.4260438010975472	1.988107189802238	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Me-His B_1	7.921424858242078	38.30336827371104	0.6777365245772028	2.057477261532375	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Me-His B_1	7.921827438948847	32.14666036432371	0.5882900761744143	1.959164637676806	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Me-His B_1	7.919724943426623	61.1809746630062	1.125514361156863	2.004088598563989	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Me-His B_1	7.91962792859804	89.18025543361314	1.575756797198393	2.016555992704062	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Me-His B_1	7.920603041154989	41.14620282161454	0.7289362683063241	2.023796298295427	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Me-His B_1	7.920675041928786	49.54598127916682	0.8325201647128465	2.17934389582392	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Me-His B_1	7.919871508030655	50.0711933130772	0.9170165204069823	1.924045072602765	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Me-His B_1	7.920800892253953	40.92159020421158	0.7811720059016602	1.878159296510494	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Me-His B_1	7.919631040974322	55.14071656360071	0.9300906978988202	2.193838587223568	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Me-His B_1	7.920590956406077	45.02654889556892	0.8009579814783503	1.980005555765664	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
NAD+-A1'_1	6.015579190230195	27.74941585872283	0.5352510864532256	1.986166143883921	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
NAD+-A1'_1	6.017227552932916	14.38963634623488	0.3806868740890712	1.685345617766232	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
NAD+-A1'_1	6.016841838205723	43.19265637467866	0.7798387743612122	2.077162339017788	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
NAD+-A1'_1	6.016897081527256	3.286624875368151	0.1171445338419224	1.144783543763708	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
NAD+-A1'_1	6.016906303744573	14.40765089705126	0.3398689060976073	1.944262609068086	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
NAD+-A1'_1	6.016572874015623	28.87202701201015	0.5624102174999424	1.893964492186246	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
NAD+-A1'_1	6.016875420258504	20.52327534129216	0.392276050591044	1.973117461369509	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
NAD+-A1'_1	6.016266049741732	81.80007572164304	1.378893727890651	2.119066056456493	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
NAD+-A1'_1	6.015909155845673	49.88300231206304	0.9415173276463019	1.942167037291767	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
NAD+-A1'_1	6.016326368470496	26.70681458518398	0.5239996678795833	1.890009555395959	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
NAD+-A1'_1	6.016351052052296	43.61005990552469	0.7322887789426487	2.162958827196406	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
NAD+-A1'_1	6.016406455578217	39.62262665200202	0.7842096719110083	1.883147981435716	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
NAD+-A1'_1	6.016413857203565	52.00408586579355	1.272654816597218	1.835607765624287	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
NAD+-A1'_1	6.016024579164416	13.21707856108686	0.2704339115928985	1.699074931529083	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
NAD+-A1'_1	6.016339415015301	23.84026480309728	0.4734897009371202	1.910404526512499	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
NAD+-A1'_2	6.025609017192238	26.69011114837867	0.5169149949924086	1.959097507842129	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
NAD+-A1'_2	6.027198588245657	11.8666220876446	0.265674311473045	1.907151077324332	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
NAD+-A1'_2	6.026999972944046	38.9588677926338	0.7259169000490644	2.015217365544776	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
NAD+-A1'_2	6.026627381921803	12.04561522783424	0.2453201677193178	1.8842848535555	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
NAD+-A1'_2	6.027108599488609	13.95872031760923	0.3010232811894156	1.893535552299692	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
NAD+-A1'_2	6.026618273256665	36.17460952677063	0.5683530865758197	2.226403780436657	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
NAD+-A1'_2	6.026748641181814	18.52681007184783	0.3526885398115904	1.883371070498962	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
NAD+-A1'_2	6.026307626461492	71.41646153044775	1.320480194135119	2.049505540930621	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
NAD+-A1'_2	6.025942117740048	65.8538195792095	1.061859654064401	2.16393798803577	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
NAD+-A1'_2	6.026502121768954	27.81280558108258	0.5338650840164993	1.92072349461296	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
NAD+-A1'_2	6.026533563812531	37.50741121995513	0.6523140285430468	2.192273237058316	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
NAD+-A1'_2	6.026403310705509	48.91269189854173	0.8543307837346207	2.052684028664322	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
NAD+-A1'_2	6.026256481398788	28.40338199128971	0.9168331539000613	1.477423384379513	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
NAD+-A1'_2	6.025985268961324	24.61451498703317	0.4528716803520786	2.09889939707828	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
NAD+-A1'_2	6.02628997704459	24.04291923421497	0.4960209816990443	1.78026046584213	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
NAD+-A1'_3	6.037422147443806	14.92131301192617	0.3074327777196982	1.711576857297344	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
NAD+-N1' 13C-B_1	6.232550634962281	7.365887465621983	0.1069346650695707	2.776569183112465	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
NAD+-N1' 13C-B_1	6.225877010461359	9.325328469222466	0.09983914434548058	3.765002083801781	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
NAD+-N1'_1	6.063783542909762	34.02564682388829	0.388166733015504	3.191505900508516	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
NAD+-N1'_1	6.065150240198771	18.73007726165214	0.2232830012357881	3.067109943563574	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
NAD+-N1'_1	6.06493275092209	44.89674061326429	0.5500485405739985	2.84803130182237	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
NAD+-N1'_1	6.06532	4.952366	0.12	1.44	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
NAD+-N1'_1	6.064610856407705	15.08834650006431	0.188561187853876	3.142597406007504	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
NAD+-N1'_1	6.064220601495471	27.61391321769724	0.3903664085421974	2.670103330365695	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
NAD+-N1'_1	6.064843404922342	22.43564861551382	0.2623347540397416	3.022816408100743	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
NAD+-N1'_1	6.064636582059742	107.3094776793697	1.136646128280021	3.346160127406746	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
NAD+-N1'_1	6.065144041727602	86.85646582708472	0.7846627094551262	3.864635283391372	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
NAD+-N1'_1	6.064520510035591	27.92475372962788	0.3743058918954456	3.232557616175954	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
NAD+-N1'_1	6.064682532058143	42.82713800353434	0.4553016139678626	3.229574872015595	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
NAD+-N1'_1	6.064374007590302	33.39254809536909	0.4258096508225732	2.78260410622629	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
NAD+-N1'_1	6.064631094591181	60.98527626446985	0.8075109153575415	2.655847252297326	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
NAD+-N1'_1	6.06416413708684	31.16189545161876	0.2496054114473295	4.24245378395437	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
NAD+-N1'_2	6.072850219626582	20.86052081951411	0.3109092881619845	2.918515153948018	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
NAD+-N1'_2	6.074773654527936	17.46697181530293	0.1915685940059598	3.536305318441103	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
NAD+-N1'_2	6.073982842073078	43.86526933845616	0.5291352190029935	2.930073137411696	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
NAD+-N1'_2	6.07475	3.534881	0.1	1.233405	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
NAD+-N1'_2	6.073944117888989	15.84044906628997	0.1991805279809035	3.205697535249033	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
NAD+-N1'_2	6.073735041891419	35.9027428623008	0.4021261151855839	3.188732093652634	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
NAD+-N1'_2	6.074202437135988	16.0381273978395	0.2159961176473238	3.541057459359963	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
NAD+-N1'_2	6.074093263086351	101.6765200864335	1.153268233127948	3.119796983753353	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
NAD+-N1'_2	6.07423521586745	60.40314088327119	0.7170756013335116	3.119714946168495	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
NAD+-N1'_2	6.073381439076332	31.49329055112903	0.3905567489637646	3.229673082151177	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
NAD+-N1'_2	6.073547574249037	35.09285655782721	0.4247315899614267	3.042414376151948	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
NAD+-N1'_2	6.07386289311061	46.10795024222293	0.4229178535878808	3.704819439837937	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
NAD+-N1'_2	6.073578303221044	47.72421792033066	0.5384486598084212	3.176526143701524	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
NAD-N2_1	9.325468089871709	112.2937867613705	0.8680595125453135	4.596709531884774	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
NAD-N2_1	9.32652214118142	66.80074445903651	0.5205893639409286	5.510969988542961	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
NAD-N2_1	9.326251420661116	148.6720315433985	1.170399219186779	4.966205162698858	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
NAD-N2_1	9.326137525314207	47.87860608668644	0.3521636788500219	5.016295760873744	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
NAD-N2_1	9.32671440298601	62.25724667735476	0.483410186178412	5.007885725442213	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
NAD-N2_1	9.326446125795655	105.5069104872918	0.7774250703839923	5.303825881210601	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
NAD-N2_1	9.326248979191481	67.28478512951452	0.5520835373103066	5.234245727130724	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
NAD-N2_1	9.32608946282935	250.3890227391598	2.166825428449836	4.813923519668268	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
NAD-N2_1	9.325832733635878	275.3806521894579	2.073411919613104	5.441692206525318	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
NAD-N2_1	9.32617212996895	129.08206666697	0.9639780119916186	5.116267150142001	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
NAD-N2_1	9.32593538722099	141.5238288690709	1.145030898794089	5.020042475011837	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
NAD-N2_1	9.325987894748373	174.090058944608	1.320014957927385	5.405701551297312	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
NAD-N2_1	9.325853296922135	194.4518820438391	1.624977791881122	5.076342308434621	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
NAD-N2_1	9.326047104565156	178.3334473165829	1.16516948436952	6.573334564870388	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
NAD-N2_1	9.325869203498568	106.3042048976221	0.8527184071939677	5.656524064860303	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
NAD-N6_1	9.11878701134478	47.09901450918579	0.464042496565655	4.462940620541046	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
NAD-N6_1	9.117536254023294	9.078808004671851	0.2051719812154304	1.985693283661174	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
NAD-N6_1	9.11928948469257	81.0660050019758	0.7080390513960653	4.324976758496065	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
NAD-N6_1	9.11915634999316	16.92825160749057	0.1549619311776473	4.957828170628218	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
NAD-N6_1	9.118797498474802	17.51754286530107	0.2479221692804695	3.369643534082951	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
NAD-N6_1	9.119243176179932	56.97301599035458	0.472647157912973	4.720439939526528	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
NAD-N6_1	9.118542231829332	28.06546262500543	0.3076905015091572	4.34993995873617	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
NAD-N6_1	9.11877349369583	134.4124138944033	1.260464359360512	4.173603893576436	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
NAD-N6_1	9.118517962425116	143.4125056762471	1.178487085307259	4.755860311468596	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
NAD-N6_1	9.119095969081096	56.29440960250945	0.5080736079471645	4.707815021659211	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
NAD-N6_1	9.119069349613248	56.43598040995122	0.6075328021633857	3.862211501694976	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
NAD-N6_1	9.118883457631206	79.68495639212574	0.7174757123186086	4.81429204284758	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
NAD-N6_1	9.119016697699983	106.5349559577464	0.9185659020688808	4.448292652346328	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
NAD-N6_1	9.118320662959247	59.51797782024411	0.6045638383704941	4.694941414454065	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
NAD-N6_1	9.118619861587476	51.4204566502182	0.4567796124561083	4.80214182764684	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
NAD-N6_2	9.128833583241832	40.96223579727307	0.4200335722196137	4.402573960607174	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
NAD-N6_2	9.121269577649855	15.79033239909497	0.2075066320820056	3.26491161927536	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
NAD-N6_2	9.130071322771931	71.81006626148502	0.6542085431649275	4.112988407832186	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
NAD-N6_2	9.129661684990495	16.986405952587	0.1832064285005864	3.70127462535882	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
NAD-N6_2	9.129105465486159	25.41233055540648	0.2697331086043501	3.988373272516723	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
NAD-N6_2	9.129852052685074	49.86662628507804	0.4305770776945339	4.775331918907916	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
NAD-N6_2	9.129017518765291	38.49734088450074	0.302671209438613	5.696627342899529	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
NAD-N6_2	9.129443845046342	125.7519974877512	1.138052923941107	4.318364800318928	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
NAD-N6_2	9.128869274262785	115.1117223727189	1.037634546493468	4.852340960775019	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
NAD-N6_2	9.129506482857844	46.94592145363311	0.5061258332676302	4.175478535758434	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
NAD-N6_2	9.129334126787109	73.033562499711	0.6279957655331091	4.808523872767577	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
NAD-N6_2	9.129356586209417	97.23293991480627	0.6909301930330268	5.437491190564223	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
NAD-N6_2	9.129258123092562	109.6406544265843	0.8928292052347016	4.547681168341565	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
NAD-N6_2	9.128675977661763	79.83184862444425	0.5953867875817493	6.153582302455719	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
NAD-N6_2	9.128961570259975	51.95476273708699	0.4287336585925132	5.779151321746814	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
NAD-N6_3	9.130099550234764	24.3226576139228	0.2896892621373453	4.004095696203449	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
NADP-N2_1	9.277919610872448	3.101176856162626	0.07677481574423181	1.926336759603914	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
NADP-N2_1	9.281519466085179	4.766921796197524	0.06547009447014335	3.472316756080594	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
NADP-N2_1	9.282143595957878	5.968232448800997	0.1077329542970255	2.233053320978324	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
NADP-N2_1	9.279337897563689	4.052158413886956	0.06835991679482818	2.389388795955419	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
NADP-N2_1	9.281193391623747	1.003261962998515	0.04832258948808962	0.9901279625719164	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
NADP-N2_1	9.279690529452136	3.67643407792798	0.0879380913766565	1.993774185761122	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
NADP-N2_1	9.27911	3.089255	0.064536	1.929529	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
NADP-N2_1	9.28079360357567	22.9802258056901	0.2198458349008527	3.707707343252061	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
NADP-N2_1	9.28041891986378	17.3235316855011	0.1548826906070432	3.908620607716512	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
NADP-N2_1	9.279945155882482	10.15840124903286	0.1411139578300936	3.065559739195685	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
NADP-N2_1	9.280332043697674	12.9725633052188	0.1811633470685209	2.580824371541505	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
NADP-N2_1	9.280498781794563	17.7828596166133	0.2061660136217485	3.772010893918317	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
NADP-N2_1	9.280465887806397	15.87110167886568	0.1471395686369509	5.144039847238302	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
NADP-N2_1	9.281012096452507	21.77565925802372	0.1846918865861598	5.622745964479831	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
NADP-N2_1	9.277435502676884	6.786215217188761	0.1227633545745022	2.228234091704328	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Nicotin-2_1	8.92617	4.133522	0.084808	1.700646	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Nicotin-2_1	8.92879	47.272286	0.370841	4.887754	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Nicotin-2_1	8.92608	25.092804	0.4	2.428954	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Nicotin-2_1	8.92636	13.356239	0.26	2.396931	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Nicotin-2_1	8.92649	17.847505	0.31	2.198819	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Nicotin-2_1	8.92589	20.1831	0.35	2.322706	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Nicotin-2_1	8.92578	20.867102	0.41677	2.091792	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Nicotin-2_1	8.92593	24.298944	0.437372	2.649483	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Nicotin-2_1	8.92511	50.294354	0.839678	2.40409	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Nicotin-2_1	8.92564	10.87993	0.27	1.921717	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Nicotin-2_1	8.92519	11.757285	0.25	1.800752	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Nicotin-2_1	8.92563	10.418567	0.19	2.615054	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Nicotin-2_1	8.92521	15.001141	0.38	1.882635	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Nicotin-2_1	8.92559	28.951795	0.489366	2.821423	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Nicotin-2_1	8.92497	25.089137	0.48	2.132363	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Nicotin-2_2	8.92857	6.973114	0.091325	2.664212	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Nicotin-2_2	8.93004	14.514463	0.35	1.977698	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Nicotin-2_2	8.93012	9.172334	0.23	1.901853	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Nicotin-2_2	8.93054	10.661424	0.23	2.210607	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Nicotin-2_2	8.92964	10.155746	0.27	1.793809	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Nicotin-2_2	8.9296	28.48818	0.427453	2.458074	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Nicotin-2_2	8.92961	24.198559	0.428022	2.217522	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Nicotin-2_2	8.92886	47.717915	0.86695	2.335043	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Nicotin-2_2	8.92899	16.848087	0.33	2.09679	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Nicotin-2_2	8.92948	19.374208	0.26	3.55367	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Nicotin-2_2	8.92989	12.967406	0.24	2.203091	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Nicotin-2_2	8.92892	23.459708	0.43	2.429944	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Nicotin-2_2	8.92915	20.017715	0.435866	1.853859	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Nicotin-2_2	8.92877	26.218561	0.43	2.907808	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Nicotin-5_1	7.56939	13.358342	0.1	5.136408	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Nicotin-5_1	7.5701	22.312085	0.255213	3.524026	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Nicotin-5_1	7.57077	6.559854	0.163249	1.916328	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Nicotin-5_1	7.571040346311971	1.726713929880438	0.06545913050310363	1.257987243294144	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Nicotin-5_1	7.57065927027768	18.19387482572611	0.2284459491270588	2.784978223374399	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Nicotin-5_1	7.569952727843274	8.110237067366986	0.1674392715492404	1.690079697007799	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Nicotin-5_1	7.570677421869004	22.25953034856689	0.3219747038440798	2.521161323766951	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Nicotin-5_1	7.570106424739205	14.0764999223928	0.3099674537432615	1.988335147232572	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Nicotin-5_1	7.570022239234493	30.14478313559581	0.6111176744192561	2.324277180712416	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Nicotin-5_1	7.570696329802735	3.95193321799541	0.1190895661955284	1.582560573366946	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Nicotin-5_1	7.570183954643596	9.782765738012912	0.156226647588848	2.202845369696528	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Nicotin-5_1	7.570859821046726	2.178167449770978	0.07348796278317363	1.364966434568548	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Nicotin-5_1	7.569754264211275	6.186129062389668	0.1959715616986316	1.474372627841868	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Nicotin-5_1	7.569865008582448	20.96215371055455	0.2954591217062884	2.535499189536377	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Nicotin-5_1	7.570069339316762	14.76309775570363	0.2930969586487276	2.117895443426708	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Nicotin-5_2	7.57971	20.003451	0.15	5.010144	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Nicotin-5_2	7.57927	15.57544	0.246916	2.300582	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Nicotin-5_2	7.57919	8.601861	0.189653	2.005377	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Nicotin-5_2	7.578751079791766	0.9165996998580697	0.03898916147578849	0.964143349475417	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Nicotin-5_2	7.579391315928821	20.82325355369044	0.2088864481222129	3.639599455728661	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Nicotin-5_2	7.579287251268745	9.754717581153574	0.1801342730378283	1.889510503338655	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Nicotin-5_2	7.579219706141229	20.94133539851495	0.3267512100888549	2.418778935312292	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Nicotin-5_2	7.578912326977776	34.80296551026862	0.3564174128978884	3.415014130368629	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Nicotin-5_2	7.578278923738922	30.4635659545772	0.5898944333205655	2.146721704193528	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Nicotin-5_2	7.577942742288498	1.969279340061405	0.07832532017753506	0.97798581946941	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Nicotin-5_2	7.57868269598919	15.89360031363981	0.2242177557961683	2.590483261957079	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Nicotin-5_2	7.578864084919255	1.245279624012669	0.06857223603139702	0.7999987630817866	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Nicotin-5_2	7.578996024294182	18.12120594028252	0.3334701686570983	2.162906522511562	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Nicotin-5_2	7.577990262872769	11.21095898877044	0.2047719790017022	1.910307134921623	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Nicotin-5_2	7.578295100122221	14.66948304697247	0.2968712887198856	2.211944030316201	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Nicotin-5_3	7.58454	5.952541	0.09	2.415853	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Nicotin-5_3	7.58456	14.508151	0.209575	2.50192	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Nicotin-5_3	7.58386	8.150329	0.151595	1.977793	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Nicotin-5_3	7.585023848119579	1.855392719231924	0.04983579018499449	1.522239295729704	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Nicotin-5_3	7.584121841674925	5.72353341323247	0.1727907309605381	1.579690256802889	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Nicotin-5_3	7.58399539480009	6.01654281550739	0.1119944422434219	1.874482981539747	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Nicotin-5_3	7.584092905536125	12.35295485129857	0.2995689858764521	1.92704786696239	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Nicotin-5_3	7.578912326977776	34.80296551026862	0.3564174128978884	3.415014130368629	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Nicotin-5_3	7.583146287694055	38.24431674407538	0.6334453372704184	2.481546483799027	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Nicotin-5_3	7.583511552345743	5.686620129462232	0.1609826785670544	1.355734352350219	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Nicotin-5_3	7.583699602288605	10.64143906429585	0.2108344092726077	2.01092632323562	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Nicotin-5_3	7.583193786030655	1.780837855150399	0.06279590745849262	1.320021552616844	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Nicotin-5_3	7.583234668376363	12.92920190245529	0.2758019019692899	1.920066256121367	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Nicotin-5_3	7.583096761046215	27.3787741327111	0.3427848460642147	2.866223559704318	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Nicotin-5_3	7.583433579279139	15.40121630751859	0.2874355291817305	2.083669607581781	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Nicotin-5_4	7.59323	4.90707	0.1	1.977991	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Nicotin-5_4	7.59206	23.852524	0.317967	2.834453	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Nicotin-5_4	7.59224	9.421364	0.225805	1.949311	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Nicotin-5_4	7.592873862570834	2.204112103720202	0.07430874143934953	1.34136196478578	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Nicotin-5_4	7.59193246633861	8.625896225498185	0.1680244398184697	1.920764382877719	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Nicotin-5_4	7.592337739941126	5.615830434436395	0.126234063433144	1.55227400726738	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Nicotin-5_4	7.592423489839431	24.21562157831398	0.3772511617326924	2.587420224720013	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Nicotin-5_4	7.591731610921776	28.15996699069037	0.3818687665274645	2.814066470154914	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Nicotin-5_4	7.591689538923332	33.55483470249334	0.6298018652901451	2.192354750360107	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Nicotin-5_4	7.591336720793787	2.551439527600973	0.09444894234964525	1.19745958912415	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Nicotin-5_4	7.59197971009025	10.6874918442649	0.1803753884130834	2.388363635818801	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Nicotin-5_4	7.592648571383579	1.729243165162452	0.06228062961785429	1.324129463691969	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Nicotin-5_4	7.591854923254034	7.702175771641498	0.2718490312058193	1.351172886693407	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Nicotin-5_4	7.591621166754901	13.622561668033	0.2724890921546194	2.298725581420443	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Nicotin-5_4	7.591942316465405	11.64574365854604	0.2992920656274227	1.85565142602306	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Nicotin-6_1	8.695910722795071	2.217737559774028	0.09957875580243267	1.062108524093511	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Nicotin-6_1	8.69642035319804	12.66622235317772	0.2637477627133854	1.88644876254277	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Nicotin-6_1	8.694619851218603	21.4483192328867	0.2600363947659096	3.726101057660872	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Nicotin-6_1	8.696009521979427	10.9240335270731	0.1390527809741991	2.892417639842416	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Nicotin-6_1	8.693512902587145	9.20452545491806	0.1958358528632188	1.894572078565484	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Nicotin-6_1	8.695049543603703	21.62579815453553	0.2615633661005259	2.800237922022736	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Nicotin-6_1	8.693782092169524	23.37981145105375	0.3605475735322666	2.26260836657932	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Nicotin-6_1	8.693348337603164	27.38830163796024	0.4768922475791182	2.027928144083099	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Nicotin-6_1	8.694075395685084	60.2379089775596	0.7213398058574612	3.882626718516438	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Nicotin-6_1	8.69541463693317	18.27965796595461	0.2679429872002618	2.747230616716944	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Nicotin-6_1	8.693782306075411	18.10181629099947	0.2121119197563194	3.246781310769259	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Nicotin-6_1	8.693184440900037	15.70062082247068	0.2535159134971949	2.319314300529957	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Nicotin-6_1	8.694733981195768	27.36313772964251	0.3244424335712089	3.94118694607067	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Nicotin-6_1	8.693135705736704	23.01161738007803	0.3601796827659303	2.282780609084573	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Nicotin-6_1	8.693256955127962	22.74782678220122	0.4029872196268395	1.918208847775698	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Nicotin-6_2	8.701478953732648	3.146679620183086	0.0665210190743187	2.119292098791491	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Nicotin-6_2	8.702453540955675	17.66377470544168	0.2784596683979918	2.556955373505566	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Nicotin-6_2	8.703295160759469	29.26850111579607	0.3368282068170795	3.423520602383117	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Nicotin-6_2	8.704244942789396	8.17546242550833	0.1367408223334735	2.851276745631326	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Nicotin-6_2	8.70248242572787	18.66530055718637	0.1879807300388274	3.618947501744262	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Nicotin-6_2	8.702979233345133	16.89907663929716	0.2486010540107643	3.24003533849099	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Nicotin-6_2	8.7019003563672	26.27697049989986	0.3958247176153391	2.180166831247437	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Nicotin-6_2	8.701910927601878	33.1583243238499	0.3940761109565852	2.866925442778602	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Nicotin-6_2	8.701284184462429	45.91774665645161	0.7189837955042887	2.237622626135181	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Nicotin-6_2	8.704049782245624	12.95560731088479	0.2265231302328595	2.305404596563769	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Nicotin-6_2	8.703052368393797	17.30705037106021	0.1762424164115033	3.958353280830428	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Nicotin-6_2	8.701607371121273	8.902558898053655	0.2138056613993414	1.678408181893267	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Nicotin-6_2	8.701855226595416	26.84663627987453	0.3454456284838852	2.823961490146484	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Nicotin-6_2	8.70138999542085	25.60392004330222	0.399153608162183	2.208517134596286	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Nicotin-6_2	8.701451950840765	27.42489658536285	0.3500909016900438	2.410414939529494	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Phe-2,6_1	7.347366036985168	41.66283857213435	0.2443996201099783	5.948114100785614	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Phe-2,6_1	7.362211895018045	14.29825965468558	0.2737875849999521	1.822218241808408	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Phe-2,6_1	7.361814291449467	16.49401272385368	0.2695261815552128	2.135287354325299	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Phe-2,6_1	7.361906662843256	20.318929667309	0.3001800088520286	2.300203772332023	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Phe-2,6_1	7.361889342052852	29.06295637187344	0.4616726841305326	2.197631212481715	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Phe-2,6_1	7.361549157142	40.43914016598762	0.6428884680800078	2.1948115586209	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Phe-2,6_1	7.361823948262728	21.81555435043233	0.4064288207156353	1.950805784334543	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Phe-2,6_1	7.361593042936082	22.16085760148047	0.3667692671162013	2.208652668033681	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Phe-2,6_1	7.361711556593221	23.22354458647728	0.3952670699252193	2.026911614058568	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Phe-2,6_2	7.360807220576531	35.85837108128607	0.3747506703356419	3.134409326989593	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Phe-2,6_2	7.362211895018045	14.29825965468558	0.2737875849999521	1.822218241808408	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Phe-2,6_2	7.361814291449467	16.49401272385368	0.2695261815552128	2.135287354325299	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Phe-2,6_2	7.361906662843256	20.318929667309	0.3001800088520286	2.300203772332023	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Phe-2,6_2	7.361889342052852	29.06295637187344	0.4616726841305326	2.197631212481715	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Phe-2,6_2	7.37306946782352	39.56437495573195	0.3874994365874417	3.562576469335174	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Phe-2,6_2	7.361823948262728	21.81555435043233	0.4064288207156353	1.950805784334543	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Phe-2,6_2	7.361593042936082	22.16085760148047	0.3667692671162013	2.208652668033681	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Phe-2,6_2	7.373891723106563	22.98480314445694	0.2924512913826338	2.418326200986098	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Phe-3,5_1	7.400190899365645	36.16094324274515	0.4290887817456313	3.054406441301967	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Phe-3,5_1	7.40194	50.28119	0.33	5.31646	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Phe-3,5_1	7.401385559236403	29.91236152087955	0.42213110647988	2.436530870644016	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Phe-3,5_1	7.401336829436504	28.05314997395684	0.1918223726534543	5.11763635544471	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Phe-3,5_1	7.401472704000886	14.31924437097058	0.2168324370323282	3.028580894344683	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Phe-3,5_1	7.401080370698158	28.26926158656174	0.4456522466398788	2.182432712137166	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Phe-3,5_1	7.401293122565217	44.29273597989558	0.5117401801215072	2.813553671899032	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Phe-3,5_1	7.400961336353249	77.73626123787122	0.9691113591565272	2.798858396002966	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Phe-3,5_1	7.400576676047493	103.9000948115821	1.273559466076765	2.866384916235283	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Phe-3,5_1	7.400925990835494	24.70350131640711	0.3927906642829004	2.194463269387524	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Phe-3,5_1	7.400988485579135	23.50673391375621	0.3113525632050652	2.634333819291118	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Phe-3,5_1	7.401017373310693	51.4331429801304	0.5696494001784516	3.069308953097375	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Phe-3,5_1	7.400808532146197	74.67789585465547	0.8941345442695835	2.867173625368334	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Phe-3,5_1	7.40067782466648	64.04954938185739	0.7820790890324281	2.879658871973112	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Phe-3,5_1	7.400715057343553	47.8084398529243	0.7161548958514666	2.522149060271629	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Phe-3,5_2	7.412848283490614	43.1650344734657	0.5012337710107634	2.852010735526573	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Phe-3,5_2	7.414192486581357	30.17433410940885	0.3708729353418333	2.707639001226104	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Phe-3,5_2	7.414025758474287	47.4693167999	0.6581629463680787	2.426364208301443	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Phe-3,5_2	7.414220551616892	21.74098006294498	0.2894165035910439	2.873560052887338	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Phe-3,5_2	7.413926845769786	23.32079434685622	0.2981187744412441	2.75785129355421	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Phe-3,5_2	7.413628154888431	46.3618397312208	0.5850481305565552	2.765031140253646	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Phe-3,5_2	7.413993684789235	48.52170845905801	0.616537303313576	2.606370272945437	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Phe-3,5_2	7.41337436768461	91.20960982730836	1.20293328422392	2.795442882539639	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Phe-3,5_2	7.412924924679539	116.9071604276159	1.536383422845651	2.929061994277095	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Phe-3,5_2	7.41363023432494	35.25194966338234	0.517761895915272	2.215186452706866	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Phe-3,5_2	7.413445389938028	47.04814910496252	0.4577149960845511	3.586562164944935	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Phe-3,5_2	7.413328295744975	66.93630250719849	0.7071020489072157	3.232878373089718	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Phe-3,5_2	7.413324399528435	77.12093806329565	1.046415791490919	2.621510292267425	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Phe-3,5_2	7.412925913327073	80.63067266683089	1.057950642714419	3.224365578828227	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Phe-3,5_2	7.413111625642953	78.58434828442103	1.002805889861993	3.040053306661965	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Phe-3,5_3	7.42646	32.531192	0.19	5.974167	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Phe-3,5_3	7.42609	22.755665	0.2	3.97	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Phe-3,5_3	7.42659	32.215608	0.254035	4.650507	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Phe-3,5_3	7.42533141632294	5.280205106098672	0.0725096351538922	3.472823435678487	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Phe-3,5_3	7.426056171515766	16.04360395771437	0.18	3.11	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Phe-3,5_3	7.426018634425167	16.39611930034236	0.2462318044372565	2.323420855466703	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Phe-3,5_3	7.42597656096989	20.9918302505197	0.274603762965772	2.355971674498076	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Phe-3,5_3	7.425644674095841	34.87837017738491	0.4419973134890717	2.878491898222236	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Phe-3,5_3	7.425103364191625	45.76440259072489	0.5095859384908089	2.763363379432965	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Phe-3,5_3	7.425519605580869	28.49916343715882	0.2723129935871631	4.218574086968144	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Phe-3,5_3	7.426007053551821	29.80590946056261	0.26	4	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Phe-3,5_3	7.425603519481706	17.54835727193132	0.2664836041991056	2.237758546965198	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Phe-3,5_3	7.425320858583375	28.5921159025506	0.3454753442457424	2.812396104912094	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Phe-3,5_3	7.425423900316038	45.04632865780462	0.4444130326972547	3.566384648716814	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Phe-3,5_3	7.425757451791469	26.27846801553382	0.3328124381193538	2.995886078074189	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Succinate-2,3_1	2.395122918323415	661.543247812177	12.96948728416915	1.785935025206077	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Succinate-2,3_1	2.396672767726356	243.7774958081776	4.361297716766739	1.890679241685143	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Succinate-2,3_1	2.396568948104179	1002.514647083407	19.82337696347725	1.740753588628868	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Succinate-2,3_1	2.396336349738957	308.3865081365352	5.024346869654127	2.085753616962006	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Succinate-2,3_1	2.396456118928212	325.2949639208422	5.860219615244442	1.912067254273339	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Succinate-2,3_1	2.396250443537582	500.0706215290074	7.810119580236328	2.120474459095999	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Succinate-2,3_1	2.396483333635012	570.0274483575279	10.63230290152652	1.787952137327431	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Succinate-2,3_1	2.396545054162503	1505.235999925319	28.28904297068381	1.9006122899003	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Succinate-2,3_1	2.396485704385753	1434.966850350178	26.65215775449338	1.861787035236983	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Succinate-2,3_1	2.396236882193509	869.0151049017614	16.76045212304217	1.777995346860378	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Succinate-2,3_1	2.396187675955401	886.9191248716164	16.72107081554227	1.91397243130122	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Succinate-2,3_1	2.396202583212713	675.8361004220862	11.19584278884443	2.020724628140468	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Succinate-2,3_1	2.396359421462622	1024.556104636078	19.08258479421027	1.847767434989263	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Succinate-2,3_1	2.396283820985373	525.6295851761962	7.911756713147145	2.216856763352715	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Succinate-2,3_1	2.396233357188326	382.198184417046	6.359799445952484	1.997844051868149	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Tau-1 (SCH2)_1	3.241510200143765	3217.385070634673	49.95734027527561	2.24716361911911	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Tau-1 (SCH2)_1	3.24333986568371	2197.205533380124	40.84821211776152	1.952681429059188	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Tau-1 (SCH2)_1	3.243312297315537	3605.042004480816	64.09210464077164	2.013856851935557	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Tau-1 (SCH2)_1	3.24324098527292	1462.797839131959	24.56475767243639	2.113913325077251	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Tau-1 (SCH2)_1	3.243055545840396	2098.874367309662	37.5586833495786	2.046483465526401	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Tau-1 (SCH2)_1	3.242976865755235	3279.7261726058	59.29121062119739	2.012794624422913	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Tau-1 (SCH2)_1	3.243202522038452	3143.467398969397	60.36852380484606	1.893104130055928	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Tau-1 (SCH2)_1	3.243557753881134	6549.100438365746	109.186976922984	2.150489879076417	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Tau-1 (SCH2)_1	3.243567647920315	7449.195397953694	138.5916377181618	1.955258174321605	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Tau-1 (SCH2)_1	3.242961175700662	3337.632274134821	60.21871735653544	1.987163398020179	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Tau-1 (SCH2)_1	3.242930378283745	3403.654867094189	57.81791679881692	2.141214007353945	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Tau-1 (SCH2)_1	3.243018776114758	3762.746190543101	70.41598993881226	1.944002400996101	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Tau-1 (SCH2)_1	3.243271752216935	4780.077695246567	88.68367869864484	1.975203662957884	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Tau-1 (SCH2)_1	3.2431663395187	5247.939740027497	95.05131338390389	2.019116420755492	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Tau-1 (SCH2)_1	3.243035083682029	3527.394490657497	66.86580400202256	1.929035261404277	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Tau-1 (SCH2)_2	3.252611612824288	5675.312750527912	97.78680411298167	2.096843899438051	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Tau-1 (SCH2)_2	3.254385260636008	5062.974184500111	89.07156564998698	2.033896762183343	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Tau-1 (SCH2)_2	3.254357519157333	8153.701454682261	142.0765517847828	2.036801202878494	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Tau-1 (SCH2)_2	3.254265119833573	3492.999564829267	53.77091550098355	2.266637460962087	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Tau-1 (SCH2)_2	3.254104073951219	4883.935892250561	82.8186462441627	2.102587048479128	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Tau-1 (SCH2)_2	3.253989266214348	8211.84099586275	130.9827712414371	2.207790760757601	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Tau-1 (SCH2)_2	3.254243318599744	7591.89765523146	135.0537029961756	1.996397468839918	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Tau-1 (SCH2)_2	3.254602650709285	13934.46378148014	235.6527093058817	2.124294359712324	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Tau-1 (SCH2)_2	3.254634203765883	17934.7171594832	301.9168339622892	2.10397427386002	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Tau-1 (SCH2)_2	3.254023862280087	7384.833690053435	132.1715578007979	1.990622351598984	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Tau-1 (SCH2)_2	3.253991647708392	7816.218003173673	126.0161525108125	2.223806738833261	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Tau-1 (SCH2)_2	3.254074687605705	9023.149155967903	153.6363644080537	2.078113057568707	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Tau-1 (SCH2)_2	3.254319758953093	11365.84987454379	197.4857683268728	2.049645316392435	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Tau-1 (SCH2)_2	3.254230856888106	12480.36503220624	210.4365454471197	2.119526129447279	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Tau-1 (SCH2)_2	3.254100238572025	7948.687774161962	145.4877060279353	1.971081832781155	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Tau-1 (SCH2)_3	3.263551566351329	4516.762404260958	72.06412944368782	2.24716361911911	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Tau-1 (SCH2)_3	3.265308159163762	3745.908033274772	62.8566645608981	2.145661678299144	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Tau-1 (SCH2)_3	3.265171434231055	6578.993418106972	109.0485144221507	2.173409962614877	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Tau-1 (SCH2)_3	3.265130655143818	2785.110135266451	41.75358777306126	2.353180016604921	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Tau-1 (SCH2)_3	3.264925283809202	3930.789111939113	64.06745110690429	2.19972754004098	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Tau-1 (SCH2)_3	3.264872768713688	6320.246375695802	100.753511386585	2.244995266316877	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Tau-1 (SCH2)_3	3.265258175851425	5159.071508707911	91.95967528436144	1.996541430684748	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Tau-1 (SCH2)_3	3.265550456783485	9182.8660999728	163.6479400383667	2.078923261295368	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Tau-1 (SCH2)_3	3.265576559870445	13210.27119267814	214.9512523022567	2.204068543536955	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Tau-1 (SCH2)_3	3.264927315991104	5608.923618554441	96.53771856089723	2.072683393933459	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Tau-1 (SCH2)_3	3.264832308377202	5988.536201379292	95.50668036893225	2.282860018387572	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Tau-1 (SCH2)_3	3.264976992017199	7171.240889359029	115.6281712775981	2.192910475125613	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Tau-1 (SCH2)_3	3.265277910181613	7888.874544244849	138.2404657585987	2.039424140304932	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Tau-1 (SCH2)_3	3.265240697050589	8505.91285992273	142.982344457693	2.098187250928909	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Tau-1 (SCH2)_3	3.265026854971535	5970.08434534158	104.1191882699716	2.050438371571235	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Tau-2 (NCH2)_1	3.398886190084144	3169.423674445454	62.23606243868169	1.89558074537817	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Tau-2 (NCH2)_1	3.400426253477556	2800.530117689584	56.69035448486412	1.814058875432223	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Tau-2 (NCH2)_1	3.400310637794837	4459.288288174869	92.73170198691695	1.73842157988454	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Tau-2 (NCH2)_1	3.400399021490265	1916.365473121879	34.95960531110098	1.959697012069564	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Tau-2 (NCH2)_1	3.400124502171056	2731.846041791269	52.35316991386573	1.949490861876361	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Tau-2 (NCH2)_1	3.400008435347891	4350.434762866952	85.91301587799265	1.85712629599048	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Tau-2 (NCH2)_1	3.4002615667964	4012.112617304319	87.0902181632762	1.698459920923433	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Tau-2 (NCH2)_1	3.400341706253338	7830.994292789798	152.4092669601903	1.896677437651063	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Tau-2 (NCH2)_1	3.400316855241339	9652.497516475198	193.843035673419	1.808692669047089	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Tau-2 (NCH2)_1	3.399936792618873	4012.889345480862	85.1017970523344	1.737245559656541	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Tau-2 (NCH2)_1	3.39993265554271	4011.489283897679	78.95968597452966	1.921417403201824	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Tau-2 (NCH2)_1	3.399927079110336	4762.194772409558	99.4557008532234	1.765342750853788	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Tau-2 (NCH2)_1	3.400188343399103	6627.263198966582	133.3950390528667	1.785645710057394	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Tau-2 (NCH2)_1	3.39999899684483	6767.820977359828	134.4867339965784	1.87343508400886	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Tau-2 (NCH2)_1	3.399960821340127	4630.606309325806	97.51944859000659	1.702445492952797	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Tau-2 (NCH2)_2	3.410005977044047	5622.628455953701	103.0140801426878	2.005418381725463	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Tau-2 (NCH2)_2	3.411519670673186	4940.197519852525	94.51036684691275	1.91607329136199	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Tau-2 (NCH2)_2	3.411417399827517	7595.218586851943	148.9866172633015	1.879509755742088	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Tau-2 (NCH2)_2	3.411505479550744	3516.253513730047	59.49429509640766	2.133382301255131	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Tau-2 (NCH2)_2	3.411239201035322	4705.294318738284	86.06420111586577	2.015653230433879	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Tau-2 (NCH2)_2	3.411118584962911	7685.912421545021	140.5480729605443	1.976084245044751	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Tau-2 (NCH2)_2	3.411379359160296	7123.032840248148	142.2243377953306	1.824614649732869	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Tau-2 (NCH2)_2	3.41143218953517	12973.70974184102	246.1939735963743	2.01204888918538	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Tau-2 (NCH2)_2	3.411429303342765	17389.8093321737	318.2962026322411	1.977037512774048	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Tau-2 (NCH2)_2	3.411056909656002	7218.747139281205	141.0776408486775	1.852155864685012	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Tau-2 (NCH2)_2	3.411033038881074	7028.349272920785	129.4187559889724	2.06169820194231	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Tau-2 (NCH2)_2	3.411068463558866	8621.988518464948	164.6726885782242	1.892229029930343	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Tau-2 (NCH2)_2	3.411305827744455	11207.10568235417	208.1226817125369	1.939934579628811	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Tau-2 (NCH2)_2	3.411136991082303	12279.67402144415	220.7703625348847	2.034542195691893	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Tau-2 (NCH2)_2	3.411074851516542	8143.530943546788	155.4986910166387	1.899160083237412	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Tau-2 (NCH2)_3	3.421039098339332	2394.689755702421	47.24876440831157	1.879472942726761	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Tau-2 (NCH2)_3	3.422578429165798	2196.193841777014	43.22496136154499	1.857774089017256	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Tau-2 (NCH2)_3	3.422485971839008	3355.995995732979	68.0355484526385	1.813955416699373	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Tau-2 (NCH2)_3	3.422542891257682	1456.753781649577	26.06002525589472	2.02077323284031	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Tau-2 (NCH2)_3	3.422283065883892	2048.257573733129	39.61144107492353	1.911427450512413	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Tau-2 (NCH2)_3	3.422160907814377	3381.905424990054	63.424312608287	1.945815352511784	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Tau-2 (NCH2)_3	3.422421071910636	3045.600940736843	64.77111979943275	1.7335770911988	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Tau-2 (NCH2)_3	3.422497709389692	5445.691955268365	110.5768632885138	1.924667437480853	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Tau-2 (NCH2)_3	3.422467711116803	7609.415335394543	146.1455197165502	1.905772047071358	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Tau-2 (NCH2)_3	3.422114829885241	3342.30775351171	65.42702431752608	1.850478947051525	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Tau-2 (NCH2)_3	3.422075182394068	3186.713963804601	60.25568223427438	1.989687756600852	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Tau-2 (NCH2)_3	3.422101528365557	3792.388134608012	75.7756392016417	1.837700940098736	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Tau-2 (NCH2)_3	3.422343206776939	4735.65227807215	95.16722689898249	1.829639383688016	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Tau-2 (NCH2)_3	3.422159331571916	5362.524112163212	101.2733174087819	1.955915945129051	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Tau-2 (NCH2)_3	3.422129279387467	3555.595751175548	71.68488281647444	1.833785269394187	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Tris_1	3.719095854080707	10539.70019314369	202.2271802510015	1.858911464431069	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Tris_1	3.718975372489914	10436.00597544338	189.3908389918039	1.922676917912217	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Tris_1	3.719201376169423	11451.53052067154	201.9058701409587	1.990879242481724	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Tris_1	3.718761635145502	11936.85303724286	217.1167923759089	1.960083989705721	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Tris_1	3.718721694445444	5341.430448597901	100.1030247623118	1.913096913600425	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Tris_1	3.71894330003701	11629.61807472568	218.1420549097114	1.860188751670075	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Tris_1	3.718993760016335	11595.70102925059	206.2349420619408	2.020764765204082	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Tris_1	3.718981548326864	10260.5695063793	187.5904216196143	1.929151688475992	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Tris_1	3.718606791855855	10096.24198107046	197.7730276852695	1.819799666929701	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Tris_1	3.718591756713121	10456.81243056958	188.6599411015229	2.011911715198129	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Tris_1	3.718577770136206	9806.520526207103	184.1189515558767	1.90960279799753	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Tris_1	3.718871312008174	10300.58951976149	189.5007969005926	1.923926285863397	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Tris_1	3.71863543823167	10613.72873831182	191.5685699608852	1.975115328556236	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Tris_1	3.718662064003874	8900.803957367061	166.6721839863664	1.902844622803151	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Trp-4_1	7.51783	16.406118	0.373189	1.597361	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Trp-4_1	7.519046821745138	17.01524705863601	0.3754215488317864	1.541638376615642	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Trp-4_1	7.518932840040012	31.81586761709501	0.6148005041207399	1.790052335267362	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Trp-4_1	7.51921906618309	3.346700431149042	0.1135512721690523	1.135168967661884	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Trp-4_1	7.518744858401088	14.81899745526625	0.3042594255899588	1.686426731046236	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Trp-4_1	7.518833146549435	31.48268284743603	0.5063134696750187	2.505258721509203	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Trp-4_1	7.518813524040317	30.41687748893579	0.5532897316229516	1.762524061296521	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Trp-4_1	7.518765241745631	69.1073728010343	1.311842808795544	1.838118666919452	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Trp-4_1	7.518535236419174	48.34667544678193	1.023247216663828	1.640668463559254	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Trp-4_1	7.518535236419174	30.43245927459222	0.636924926952452	1.656740550766137	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Trp-4_1	7.518620138856462	32.87094745480418	0.5918352758700421	1.903165821429663	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Trp-4_1	7.518691322682724	39.84244978116965	0.6987650389622929	1.937591034787192	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Trp-4_1	7.51849704727669	45.87467215967814	0.9464930327215553	1.705171031832224	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Trp-4_1	7.518429690161934	19.787125248491	0.3742856218879118	1.770046184524264	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Trp-4_1	7.518607243113335	22.52838876096572	0.4659419404416488	1.687055186475713	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Trp-4_2	7.53064	22.566858	0.39259	1.903669	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Trp-4_2	7.531789503676006	19.99420897583472	0.4048636714855514	1.686426731046236	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Trp-4_2	7.531635004097185	30.72196751163931	0.5746168859286482	1.807543577967132	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Trp-4_2	7.531704613238859	6.268521230855636	0.1333761922282908	1.81896281245882	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Trp-4_2	7.531480871635646	16.99828476292265	0.2814906827723548	1.930165630076993	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Trp-4_2	7.53135237336032	44.3828668827272	0.5298266974190817	2.657487840499564	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Trp-4_2	7.531505660253114	19.73057174006152	0.4489203134620872	1.557444894095527	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Trp-4_2	7.531629087108254	70.09905317083071	1.287318370650983	1.880669698997372	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Trp-4_2	7.531347165429389	58.22720183141327	1.143280962321253	1.750286201077259	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Trp-4_2	7.531273286859985	29.79576216000696	0.5970646729303082	1.695822423961285	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Trp-4_2	7.531328782947313	36.51553039734632	0.5801320506503348	2.084571564377989	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Trp-4_2	7.531298497911141	43.54024142863265	0.653876770989353	2.108883409441857	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Trp-4_2	7.531328782947313	45.937861814306	0.8824474903539457	1.807375074849758	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Trp-4_2	7.531288167119151	29.43926125376897	0.4466831136005732	2.286005341885723	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Trp-4_2	7.531359644322013	16.9767357454423	0.4072426380395557	1.461432036291154	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Tyr-2,6_1	7.171699015340018	41.63471181078446	0.65985406780266	2.262216982792492	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Tyr-2,6_1	7.173201476079184	35.93862290944226	0.5457047786609307	2.321339167917404	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Tyr-2,6_1	7.172878930977721	67.58965393803771	1.015164551739335	2.28779256645063	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Tyr-2,6_1	7.173206069861824	36.9680055608337	0.4355498271330414	2.906584917612972	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Tyr-2,6_1	7.173350523047366	27.34279508813585	0.3567287558263555	2.74809272543955	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Tyr-2,6_1	7.172612281351634	82.8945714324997	1.187184375097884	2.433722485784745	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Tyr-2,6_1	7.172812667016358	58.34110613170989	0.9284974305405076	2.226993895837944	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Tyr-2,6_1	7.172195655407403	122.3748833671592	1.79248962963023	2.382136263928218	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Tyr-2,6_1	7.171710983942114	76.78233065243558	1.160517256642169	2.270674734550898	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Tyr-2,6_1	7.172469802833006	51.00997822278127	0.7664348613317487	2.322316053941478	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Tyr-2,6_1	7.172469802833006	44.94631472873383	0.6445246427493643	2.479131015893678	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Tyr-2,6_1	7.172433166347564	85.9705765137134	1.360088563332176	2.266257446833184	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Tyr-2,6_1	7.172151960829914	117.0755941564013	1.780608900607993	2.337561958224648	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Tyr-2,6_1	7.172045347642772	55.10781206788985	0.8402816571188586	2.314497420155065	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Tyr-2,6_1	7.172287037882604	65.33016462039437	0.9376862984265899	2.367573295618631	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Tyr-2,6_2	7.185698370881301	43.52364395513364	0.6122813612532134	2.415580194885226	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Tyr-2,6_2	7.187289800619457	39.3992954168857	0.531180485361755	2.544464431952624	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Tyr-2,6_2	7.186940307524091	73.71273174212934	1.141065965348756	2.283861149528037	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Tyr-2,6_2	7.187187588567577	34.66807240724688	0.4375442659826752	2.613961433121667	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Tyr-2,6_2	7.187375954587936	31.61687739523974	0.4271150401090202	2.681884886055331	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Tyr-2,6_2	7.186665825140005	85.37769057472076	1.199338876614226	2.483896256777139	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Tyr-2,6_2	7.186931646924393	68.55902248709859	0.966508691346485	2.43265736156407	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Tyr-2,6_2	7.186177174113155	120.9817101037172	1.773827863849313	2.445315159548815	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Tyr-2,6_2	7.185748917837153	75.26592464351658	1.144656903986698	2.357488935291589	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Tyr-2,6_2	7.186579470907557	48.13997190647951	0.7352055946236647	2.284693734538982	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Tyr-2,6_2	7.186451321538757	50.81763842503347	0.6763438341740965	2.621669279519486	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Tyr-2,6_2	7.186451321538757	101.5089064250002	1.481197584194756	2.341663862412992	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Tyr-2,6_2	7.186177174113155	116.1181074428018	1.773787302908302	2.284174971136518	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Tyr-2,6_2	7.186177174113155	59.26496634525271	0.86959022655942	2.378013706582078	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Tyr-2,6_2	7.186451321538757	60.93605804899392	0.9755707118976561	2.184762818271917	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Tyr-3,5_1	6.877678385718696	567.5046188569908	1.999591777601183	9.292666254310356	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Tyr-3,5_1	6.879621470836639	19.90025726047141	0.3791778274697687	1.816151864203639	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Tyr-3,5_1	6.8792237314668	40.83320892398945	0.8782885853034658	1.687358540195639	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Tyr-3,5_1	6.879411412090626	23.22752194359782	0.3843204244063626	2.108824192237678	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Tyr-3,5_1	6.879448601586014	21.7946810001072	0.3629577033205272	2.103140952561307	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Tyr-3,5_1	6.878949292487411	64.82476970129538	1.054095648298936	2.145813254472605	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Tyr-3,5_1	6.879223439913013	56.10876306542487	0.9002003583107481	2.138542390854505	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Tyr-3,5_1	6.878532371818022	107.5866800105078	1.645947400216362	2.214665716661562	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Tyr-3,5_1	6.8780354677354	52.88311218699914	0.9170303502342826	2.018713882824072	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Tyr-3,5_1	6.878818439069093	38.56465043819029	0.6566480832446225	2.009698508719571	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Tyr-3,5_1	6.878809845414008	33.75892358485144	0.5650262234111655	2.084735431715757	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Tyr-3,5_1	6.878754133180718	69.41354869568158	1.209944171504755	2.001750185391038	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Tyr-3,5_1	6.878400997636204	95.44560270532037	1.566614502428327	2.125811458066118	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Tyr-3,5_1	6.878465634829745	53.23160502517604	0.7874761487893907	2.297097360638672	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Tyr-3,5_1	6.878763791591904	60.16755639365656	0.9230869304003884	2.192417069228632	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Tyr-3,5_2	6.890285746064302	708.4011874151623	2.294245208420463	10.77223248126482	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Tyr-3,5_2	6.89358652527449	24.93758771108898	0.4468237146241795	1.956693507851739	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Tyr-3,5_2	6.893328414605388	57.21691055750417	0.9958929773738132	1.998855031981223	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Tyr-3,5_2	6.893665429029019	31.66762819563587	0.5002159188551207	2.151321309756537	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Tyr-3,5_2	6.89366187099477	20.48758046244054	0.365453104726877	1.89572903070852	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Tyr-3,5_2	6.893113576143565	70.32715156198749	1.164350567809648	2.052515846386611	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Tyr-3,5_2	6.893342847152108	58.04365047049254	0.9478321386347963	2.013834412239946	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Tyr-3,5_2	6.892580432000269	109.184249057975	1.7337067906071	2.202853932005675	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Tyr-3,5_2	6.892111762865478	57.61202846061671	1.10021915973098	1.847929284546362	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Tyr-3,5_2	6.89301235558877	40.99394882196149	0.7468405063258913	1.915238447002177	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Tyr-3,5_2	6.893113576143565	42.10773404614527	0.6825600460562099	2.12980712045412	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Tyr-3,5_2	6.892839428717961	84.47378308223486	1.378221931002286	2.08281184153325	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Tyr-3,5_2	6.892485541005142	103.6519970054192	1.721977125186135	2.090818769404648	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Tyr-3,5_2	6.892478984755478	42.66072111489321	0.7759616732914341	1.918310406565094	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Tyr-3,5_2	6.892839428717961	50.75428134973392	0.9396929254166171	1.943059281996158	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
UXP-1'_1	5.98291270625164	64.45549375236482	0.7798046138527871	2.831186947010749	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
UXP-1'_1	5.984621560594038	37.55145253547094	0.5784579807461907	2.408945444830967	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
UXP-1'_1	5.98439954149395	79.60646398680385	1.076021170807043	2.575258088194087	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
UXP-1'_1	5.984216945495183	14.84557846465023	0.2939437198714688	2.037692233303882	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
UXP-1'_1	5.984455474815227	31.75485344618752	0.5112377379617414	2.347769648632723	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
UXP-1'_1	5.984149572716913	88.46057989368776	0.9575908037318581	3.096241431625351	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
UXP-1'_1	5.984406238280341	77.30351618736067	1.154975181612136	2.352738256811512	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
UXP-1'_1	5.984221046659139	202.588427760126	2.473586864449818	2.920888060919181	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
UXP-1'_1	5.984238884915792	172.2934028136729	2.107791697475697	2.863672835891168	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
UXP-1'_1	5.98414994560087	68.96451132411462	1.020205305398899	2.424766538753092	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
UXP-1'_1	5.984136098571723	75.67984143171886	0.9781884118657136	2.722472053350514	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
UXP-1'_1	5.984331614754363	95.42409412966317	1.171200835118924	2.679280581438596	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
UXP-1'_1	5.984082477791802	142.2155774555692	1.794377541666229	2.797566954970388	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
UXP-1'_1	5.98471	131.839415	1.51	3.250053	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
UXP-1'_1	5.984358308851988	96.18629585405344	1.01739179514975	3.218810419093727	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
UXP-1'_2	5.991109877082168	77.89100325726383	0.7223782582245748	3.679070589170909	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
UXP-1'_2	5.992870316671846	112.9025741883504	0.6868806524461529	6.137296934378605	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
UXP-1'_2	6.001855283594837	95.95889469727871	0.730321927622566	4.359685492762817	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
UXP-1'_2	5.992395769675931	25.30546709959032	0.3343358882343035	2.973325138618241	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
UXP-1'_2	6.001543686151584	25.3242895170611	0.4414617945381788	2.210207905763692	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
UXP-1'_2	5.992301893595642	109.9546034910125	0.912966860638539	3.761976360054843	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
UXP-1'_2	6.001636691873984	117.8748205892988	0.9320773008541149	3.926155466903642	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
UXP-1'_2	6.001404451008709	196.2818229074537	1.543022404671009	4.212765049595703	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
UXP-1'_2	5.991836780827055	373.2806078509486	2.653887523157961	4.64009186196711	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
UXP-1'_2	6.001452263371331	166.345561785686	1.075158606601864	4.76065071021473	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
UXP-1'_2	6.001312930177424	84.71146808706054	0.7166247409357492	3.876963272676255	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
UXP-1'_2	5.992236931387288	91.80843725616731	1.099734494589712	2.859112992604675	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
UXP-1'_2	5.992109925397482	149.3623403547624	1.583493774375785	3.401727560328647	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
UXP-1'_2	5.99174	154.866319	1.78	4.056968	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
UXP-1'_2	5.992263847209547	170.3104273879945	1.3216925853459	4.343317595630382	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
UXP-5_1	5.964186653383852	70.5611603156168	0.3890104725797234	6.127914803017174	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
UXP-5_1	5.965538100148589	65.24323169443095	0.3584894979748339	7.141133449124795	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
UXP-5_1	5.965503336719676	93.00168069486737	0.6511646621858603	4.853412713988575	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
UXP-5_1	5.96580869798641	14.74407841506932	0.162287064782399	3.367478447015876	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
UXP-5_1	5.965405673386476	31.53110565890587	0.3425934678375038	3.341423267902003	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
UXP-5_1	5.96423797138372	65.63363933897458	0.4466893422425186	6.10900676400872	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
UXP-5_1	5.966209863925619	55.39906282207898	0.5095290527619101	3.392687552708221	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
UXP-5_1	5.964467525205009	196.8804943312149	1.167336974746113	5.893304275801907	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
UXP-5_1	5.96512801680993	76.4485312438357	0.7348780181678775	3.49725281570545	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
UXP-5_1	5.963831569421999	60.18676750571971	0.4404783223153589	5.751809365573025	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
UXP-5_1	5.964430084476849	77.5805225760425	0.4755146414506697	6.176507936036186	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
UXP-5_1	5.964130826100724	63.57968231893891	0.4863416654566345	5.330591643030785	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
UXP-5_1	5.962461196879254	71.34324268299608	0.7649807263842507	3.365167972421596	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
UXP-5_1	5.96209	34.812725	0.7	1.896589	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
UXP-5_1	5.963999328049961	114.2985026986848	0.4618520471735649	9.250304614070975	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
UXP-5_2	5.974753817699471	20.69353680085043	0.3102390634251564	2.318631275223813	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
UXP-5_2	5.976542632953767	14.76537920217091	0.2842310082761681	2.056530195899681	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
UXP-5_2	5.971109698960476	10.9014428718489	0.2860304289609302	1.442016854671566	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
UXP-5_2	5.970790032710141	5.653424790987446	0.1276500565707803	1.636545469753775	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
UXP-5_2	5.970982195373562	6.062083228843925	0.2152781068065585	1.342913695091447	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
UXP-5_2	5.970600818836016	10.48655201130297	0.2926227813279508	1.375300640210441	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
UXP-5_2	5.97098112131652	12.57329694486708	0.3808198212590092	1.314466458728317	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
UXP-5_2	5.970995963297466	23.49832966806984	0.598007054945738	1.502360931939236	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
UXP-5_2	5.970695348497727	30.2805896605359	0.7266050793716968	1.599789527668205	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
UXP-5_2	5.970828034618154	21.06707457790533	0.4815906101203823	1.631482816782169	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
UXP-5_2	5.970872739674937	13.28810277565942	0.3091977308424586	1.683761973067223	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
UXP-5_2	5.970828081020148	16.35153105972917	0.4125607609982908	1.494564466569846	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
UXP-5_2	5.966123464110737	44.47971459548136	0.7622544614366787	2.079518265561991	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
UXP-5_2	5.962256493600171	41.31382644659392	0.4145172730533596	3.470147311960524	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
UXP-5_2	5.975809091867614	16.00665873459049	0.3008783626849682	2.04914107403534	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
UXP-5_3	5.976213893182384	39.63124433095275	0.4895074046335181	2.702975087231918	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
UXP-5_3	5.976212592361574	10.96715063128956	0.1510719976318962	2.608619358302322	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
UXP-5_3	5.97630110409237	15.78683169301536	0.3072578620395885	1.977151528676743	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
UXP-5_3	5.975999055026381	29.86467272962684	0.4890169652692422	2.265974512174998	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
UXP-5_3	5.976202801762429	25.11439913718133	0.4972042629418687	1.884578384843683	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
UXP-5_3	5.975982800225711	74.0775201284111	1.189193139375891	2.247630113753183	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
UXP-5_3	5.975825177630409	33.72610481241179	0.6052414366786691	2.105114754845527	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
UXP-5_3	5.975907672551179	28.23498115147701	0.4863763669303753	2.108684051608605	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
UXP-5_3	5.975887962944774	27.05933282537232	0.5191140129636874	1.89410635307983	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
UXP-5_3	5.975791926302181	18.55240490351371	0.3718199462617459	1.907386013720272	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
UXP-5_3	5.970556246137936	19.18122620052201	0.5654178547957807	1.39963911837636	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
UXP-5_3	5.96578	31.158219	0.7	1.670057	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
UXP-5_4	5.975972947551684	44.14800285774972	0.8024746050289282	2.061126889194692	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
UXP-5_4	5.9708	13.790173	0.62	1.060733	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
UXP-5_5	5.970901246625425	13.77594020575492	0.295131462447922	1.64426606277008	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
UXP-5_6	5.97586	25.867297	0.7	1.39224	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
UXP-6_1	7.87724	10.36032	0.253785	1.638473	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
UXP-6_1	7.87814	16.367467	0.314933	1.812909	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
UXP-6_1	7.87787	17.991077	0.431916	1.475623	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
UXP-6_1	7.87706	6.172454	0.112206	2.394699	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
UXP-6_1	7.8778	12.105585	0.2	2.43982	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
UXP-6_1	7.87749	19.82837	0.418464	1.653332	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
UXP-6_1	7.87775	14.239344	0.262222	1.845303	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
UXP-6_1	7.87767	28.048895	0.552751	1.802665	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
UXP-6_1	7.87729	22.600979	0.368194	2.085923	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
UXP-6_1	7.87745	18.938956	0.460851	1.479839	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
UXP-6_1	7.87758	24.600491	0.416144	2.008851	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
UXP-6_1	7.87763	17.88488	0.37764	1.652492	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
UXP-6_1	7.87749	23.748863	0.388108	1.991807	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
UXP-6_1	7.87779	4.969772	0.047096	3.97565	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
UXP-6_1	7.87756	7.945564	0.184793	1.62809	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
UXP-6_2	7.89057	15.364948	0.290736	1.84401	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
UXP-6_2	7.8915	18.31483	0.335978	1.824204	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
UXP-6_2	7.89132	18.009229	0.403903	1.57078	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
UXP-6_2	7.89118	4.223456	0.116052	1.735568	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
UXP-6_2	7.89133	9.341376	0.223041	1.521351	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
UXP-6_2	7.89111	22.234541	0.418958	1.861487	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
UXP-6_2	7.89122	13.916986	0.268988	1.803172	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
UXP-6_2	7.89115	30.139174	0.601569	1.771506	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
UXP-6_2	7.89077	15.888265	0.269346	2.37776	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
UXP-6_2	7.89101	21.259169	0.480697	1.543143	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
UXP-6_2	7.89101	24.273998	0.445159	1.902644	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
UXP-6_2	7.89106	16.090072	0.362519	1.558912	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
UXP-6_2	7.89098	12.78715	0.316871	1.491094	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
UXP-6_2	7.89122	5.637296	0.099333	2.287606	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
UXP-6_2	7.89085	11.427005	0.198715	2.317949	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Val-B_1	1.026982267874126	171.863417599188	2.799530737549394	2.136954959675682	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Val-B_1	1.028579731423495	147.0067190923518	2.462347924456113	2.07568587985273	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Val-B_1	1.02849253672506	239.5515051796202	4.216765914019675	1.998855031981223	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Val-B_1	1.028280085346135	130.2717237714421	2.151741512403888	2.130994211055085	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Val-B_1	1.028369082694118	133.015939870944	2.207398097701656	2.102587048479128	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Val-B_1	1.028152236761411	256.2331217446334	4.562004033080079	2.024898140168288	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Val-B_1	1.028488184440212	262.6104925941456	4.270480511424075	2.170121190776277	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Val-B_1	1.028477694826604	372.4543702958575	6.191863196631224	2.127608635197909	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Val-B_1	1.028350186522546	439.7700820183773	7.86291068690983	1.987307022879966	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Val-B_1	1.028129079646246	174.4971916553654	3.286811269475553	1.888295661565869	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Val-B_1	1.028086557747904	168.9523053160328	3.032898002760577	2.034028872484928	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Val-B_1	1.028113076617409	272.3593628219262	4.85784479949838	1.956273785070309	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Val-B_1	1.028242816409474	328.2210889558004	6.106723461209609	1.914260358206263	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Val-B_1	1.028165673980071	402.4327595290009	7.158323775129611	2.012970043824764	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Val-B_1	1.028088927960257	270.6893427461336	5.184043219623313	1.871514081669371	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Val-B_2	1.038718488117993	180.9147409266571	2.809435182842504	2.171850727512823	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Val-B_2	1.040268228000385	120.5169256740109	2.230778303966342	1.923916624820533	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Val-B_2	1.040183954146437	214.8634318222168	4.056747998595247	1.884006728221943	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Val-B_2	1.03996815387136	118.4527665693546	2.067728747678113	2.033217875596759	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Val-B_2	1.040050728548136	129.5353198072267	2.199907829595526	2.060298889135545	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Val-B_2	1.039825842101822	267.1059359802438	4.56999560669095	2.039382641557964	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Val-B_2	1.040064979235339	175.209295780039	3.563481293865891	1.774171466050656	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Val-B_2	1.040182367552184	346.8739531471175	6.022535240683239	2.056397023813885	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Val-B_2	1.040016065603493	380.9411783168572	7.507140208284374	1.843782896759581	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Val-B_2	1.0398285835269	171.1515452169646	3.209377872979262	1.875529308966952	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Val-B_2	1.039811936149138	168.7820767993308	2.970314929825161	2.025055523324121	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Val-B_2	1.039822774129047	266.9049412397212	4.987331933201677	1.904336765621328	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Val-B_2	1.039962417464253	344.6566822782517	6.197889538447793	1.960163367129738	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Val-B_2	1.039885408952372	414.3629722301648	7.34036226526711	2.005356222315949	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Val-B_2	1.039808434216971	285.2929137449178	5.308292210954076	1.897428257453847	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
aGlc_1	5.218008667988622	41.64830564237285	0.6964404841741085	2.346004050661614	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
aGlc_1	5.222654527175312	92.53443352560687	0.2892556240958369	13.225779034131	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
aGlc_1	5.219841145691531	44.21243043900638	0.7289257518376471	2.168089771302624	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
aGlc_1	5.219768107632757	17.2660018195193	0.2676991231537028	2.186018030278988	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
aGlc_1	5.22041	17.482312	0.25	2.44	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
aGlc_1	5.219860761337308	28.63332440271027	0.440708150043704	2.43670391840759	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
aGlc_1	5.219869113428484	54.68823973504198	0.723433571111992	2.668915553152826	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
aGlc_1	5.219972037004959	71.90848406893609	0.9974176256844599	2.545894328619917	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
aGlc_1	5.219853703445618	9.827870828043464	0.2161858622866316	1.794318094556312	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
aGlc_1	5.21954	17.883546	0.26	2.4	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
aGlc_1	5.219534925312546	25.17380563041807	0.3853205707658438	2.517346668466323	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
aGlc_1	5.2195	11.780972	0.15	2.740443	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
aGlc_1	5.219629613937433	251.0996575470429	4.326424271856479	2.125110893422764	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
aGlc_1	5.220047474595196	32.81658263220605	0.377881061650983	3.113614353414551	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
aGlc_1	5.2196	25.84752	0.308264	2.925684	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
aGlc_2	5.224301516918939	67.78160088861378	0.8441893654156774	2.878714125858044	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
aGlc_2	5.226013311381364	39.33959124567693	0.6751788344502179	2.12965446254888	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
aGlc_2	5.22569	10.867693	0.24	1.58	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
aGlc_2	5.225670148832203	17.67192127623217	0.2527853886320749	2.325035043652956	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
aGlc_2	5.226236405344944	30.51088010652621	0.4147371258723977	2.84733122933637	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
aGlc_2	5.226193143521359	49.87433143366395	0.7639847673518128	2.357964372421059	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
aGlc_2	5.226136021019768	77.26705368690877	1.0075552139305	2.629279745638339	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
aGlc_2	5.225938460408351	7.601778027764414	0.1930406944550975	1.877981516488558	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
aGlc_2	5.22557	17.195717	0.3	2	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
aGlc_2	5.225566168675812	30.11089285436494	0.4663499326749271	2.252903950166961	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
aGlc_2	5.22558	7.749536	0.13	2.08	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
aGlc_2	5.225912611307296	265.9404277378499	4.381652501697023	2.1763888391728	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
aGlc_2	5.226014568801233	21.24895728745381	0.3609503660310364	2.147012494205198	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
aGlc_2	5.225748933626212	22.60323382395464	0.3240435893635126	2.370360459517333	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
bGlc 13C-A_1	4.499702811982239	53.17476317946747	0.8447280650473584	2.136829257199081	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
bGlc 13C-A_1	4.504536767088016	167.5195297358519	1.45288216953094	4.005053421858516	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
bGlc 13C-A_1	4.505267594473407	492.9559895927883	4.064687102303213	4.089717358129171	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
bGlc 13C-A_1	4.504137623906287	161.2305801710764	1.378012769172138	4.248932743062623	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
bGlc 13C-A_1	4.504491968443482	251.609818142205	2.093967420144248	4.03014099786087	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
bGlc 13C-A_1	4.505011944720915	424.9486617324255	4.42268668993164	3.133849086256426	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
bGlc 13C-A_1	4.505713154882782	542.2162458602921	5.776634585639427	2.941638311328619	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
bGlc 13C-A_1	4.505966660056134	655.8245490300654	9.733420898273687	2.523845654367028	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
bGlc 13C-A_1	4.505860601963317	722.507789369613	12.12991242289236	2.091825165318526	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
bGlc 13C-A_1	4.504211827985568	422.9907236726502	3.566676987377043	4.391344952429825	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
bGlc 13C-A_1	4.504923969240766	305.0650299529415	2.78558493327571	3.904812705527917	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
bGlc 13C-A_1	4.505024236668596	506.9381113063786	4.476480922154721	3.905509553059238	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
bGlc 13C-A_1	4.505499188765037	338.2359288632754	5.440145825894751	2.454763449611908	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
bGlc 13C-A_1	4.505517623420274	364.2933473738091	4.653549211698276	2.754612347742847	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
bGlc 13C-A_1	4.504741204290364	402.7265142750685	3.651645626096263	4.066054215638992	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
bGlc 13C-A_2	4.503132891472644	151.3561464783888	1.814638428949907	2.993531838710424	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
bGlc 13C-A_2	4.509821924079198	51.45474361136554	1.004533636714168	1.903075488299736	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
bGlc 13C-A_2	4.509482839231105	157.3031800885828	3.189633082200524	1.747603051177614	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
bGlc 13C-A_2	4.509406917752826	47.57073477957992	0.9246170211588678	1.940213716524986	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
bGlc 13C-A_2	4.509675012997478	63.58187929666431	1.217125878747016	1.970868466318455	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
bGlc 13C-A_2	4.508966445489517	224.2932043884718	3.902872856875044	1.986777211139038	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
bGlc 13C-A_2	4.509316570083532	236.956166810843	4.873459985937774	1.710982234774053	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
bGlc 13C-A_2	4.509525304657808	493.6501133724341	9.523121808721369	1.808718010510094	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
bGlc 13C-A_2	4.509336360705388	772.6953643229217	14.22054207905691	1.885346954322701	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
bGlc 13C-A_2	4.509206642858548	125.2852817390603	2.699821360166135	1.687225165534348	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
bGlc 13C-A_2	4.509191121802	124.9600159792854	2.138714074409072	2.004959684175486	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
bGlc 13C-A_2	4.509201279686038	172.3359030599449	3.579156536686189	1.747755541235438	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
bGlc 13C-A_2	4.509271135843341	353.3135340499775	6.141724092846319	1.97126774255985	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
bGlc 13C-A_2	4.509168696116994	261.0562114561603	4.551049857559521	1.948949627295356	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
bGlc 13C-A_2	4.509101833181767	190.6911643794414	3.523267236102007	1.839213880053778	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
bGlc 13C-A_3	4.508031966865933	78.70727813363484	1.307496291959152	2.184044044934805	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
bGlc_1	4.628956128759363	91.53499641071011	1.567624919358726	2.06587274553164	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
bGlc_1	4.63063	22.268454	0.37	2.1	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
bGlc_1	4.630621134255585	101.4683932286202	1.736013681637079	1.998855031981223	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
bGlc_1	4.63028	18.249346	0.48218	1.634855	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
bGlc_1	4.630329145242214	30.06040325774319	0.5489301453396378	1.933599396383167	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
bGlc_1	4.630153734927752	43.04188518842215	0.7059569533205609	2.100605514168164	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
bGlc_1	4.630480173024536	109.5496732834261	1.691654020358778	2.215461313647652	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
bGlc_1	4.630808879646077	221.0485789969767	2.994475292322664	2.525197703246767	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
bGlc_1	4.630433067224501	423.9030136910116	2.437255794025724	5.351715631492326	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
bGlc_1	4.630204444383504	35.8357130822306	0.6250332223744083	2.019997827518433	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
bGlc_1	4.630267789695404	76.18838579010627	1.128930301465246	2.393382693258889	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
bGlc_1	4.630078066379455	116.1067389932098	0.964819989629464	3.792486039194025	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
bGlc_1	4.630544502703555	503.3783785458314	9.771076170321297	1.810974235541029	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
bGlc_1	4.630370917957259	521.4838366824735	2.368698146144586	6.774211753033961	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
bGlc_1	4.630295850094592	51.28279362170621	0.8491797219615582	2.086648845912842	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
bGlc_2	4.642273219154617	99.47726628531812	1.701620473618714	2.019324187626106	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
bGlc_2	4.643641653379253	24.79938600596235	0.3840250801767142	2.194464655454783	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
bGlc_2	4.643937735754071	76.52837931481059	1.566483123916218	1.73761366434108	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
bGlc_2	4.64371	14.871475	0.464905	1.525507	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
bGlc_2	4.643733949071077	47.4879681386522	0.7380414834063183	2.245090107252535	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
bGlc_2	4.643459801645474	54.48301990626477	0.9316227730299667	2.080848093336507	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
bGlc_2	4.643832130411239	92.40699182302748	1.684531362684738	1.966764339980438	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
bGlc_2	4.644024686669454	137.2724837001518	2.406705005961082	2.164140390903542	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
bGlc_2	4.64392	18.628693	0.25	2.6	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
bGlc_2	4.643362517523328	22.74539682176023	0.3989912685089986	1.997361334734311	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
bGlc_2	4.643488367236032	46.74299649218199	0.841407901079932	1.954359026449505	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
bGlc_2	4.6433	20.864137	0.28	2.6	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
bGlc_2	4.643803852444594	465.2900782290033	9.482988025438003	1.784277164675464	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
bGlc_2	4.643660380157059	35.77983229109524	0.6883909289820664	1.863501537806091	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
bGlc_2	4.64360118697478	23.60617500494739	0.5113079196031876	1.622747060718498	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
m-Ins-1,3_1	3.510580820281457	779.1083476494013	14.87107789413191	1.868184505412143	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
m-Ins-1,3_1	3.512371539028187	565.7875153650998	10.39341182196284	1.878525517167739	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
m-Ins-1,3_1	3.51230554977031	1325.821872354442	26.20529802869404	1.78201781282839	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
m-Ins-1,3_1	3.512218097086373	475.3125474505455	8.514320764644003	1.947871184302989	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
m-Ins-1,3_1	3.512056961923312	730.790641501955	13.59268349891222	1.892297967704577	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
m-Ins-1,3_1	3.511870336548691	1067.708401243626	21.74525296537653	1.760413902145912	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
m-Ins-1,3_1	3.512184354161814	503.4139111674327	10.42750866942644	1.696919607281759	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
m-Ins-1,3_1	3.512578309026055	1537.248507025765	26.34292833765448	2.035264616306738	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
m-Ins-1,3_1	3.512513719372771	1864.781109071344	36.15489807714749	1.821878766025087	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
m-Ins-1,3_1	3.511961993706756	856.0504279930879	17.52883219169092	1.736917985183808	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
m-Ins-1,3_1	3.511932837802857	1194.072451039558	21.04420907308852	2.00684754724744	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
m-Ins-1,3_1	3.511976645159927	1104.943152884242	22.87250100090109	1.722474065052062	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
m-Ins-1,3_1	3.51221649380465	1010.326696065434	20.77936926538253	1.737826918279742	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
m-Ins-1,3_1	3.512201907492898	756.812174825659	13.71132396206997	1.922337181938156	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
m-Ins-1,3_1	3.512031147170073	866.2712350537613	16.73801829022273	1.805846438535996	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
m-Ins-1,3_2	3.515505844509981	828.7411744244068	14.75360457485052	1.965453255836083	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
m-Ins-1,3_2	3.517225855609629	548.5571338438338	10.62497578309936	1.819197436868437	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
m-Ins-1,3_2	3.517191874221924	1327.469225415984	25.82014920947382	1.825722670979581	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
m-Ins-1,3_2	3.517073325002811	572.3265351397758	9.184008322081231	2.117672825328288	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
m-Ins-1,3_2	3.516948376284356	737.5230348429839	13.95790983583563	1.883120291553233	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
m-Ins-1,3_2	3.516739204516478	1321.367330422068	23.04019644660371	1.96314883300015	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
m-Ins-1,3_2	3.517039448427911	629.9396818337542	11.29300953397347	1.895555577196619	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
m-Ins-1,3_2	3.517417531001179	1517.404754652378	26.77840514449407	2.026024268564235	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
m-Ins-1,3_2	3.517366264043125	2149.779307063867	38.29675535699646	1.951540452933654	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
m-Ins-1,3_2	3.516827495400657	1057.655642960395	18.91762749977408	1.919853817678695	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
m-Ins-1,3_2	3.516829834337959	1153.418078602297	21.34869145055547	1.956921485678087	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
m-Ins-1,3_2	3.516873411103647	1360.15587652061	24.3410106091161	1.915500022527383	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
m-Ins-1,3_2	3.517170794793213	1277.575557700809	21.33043863549975	2.077101722745054	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
m-Ins-1,3_2	3.517047424641707	859.863567880409	14.92452808162683	2.010295508585772	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
m-Ins-1,3_2	3.516896647367609	906.8209134550206	17.18195551530124	1.841534665562006	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
m-Ins-1,3_3	3.527275830141016	1008.896918341412	18.86537222717281	1.8873288438172	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
m-Ins-1,3_3	3.529105377613557	791.4647603929636	14.50378899076376	1.904061937473631	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
m-Ins-1,3_3	3.529045426748943	1926.595927274645	36.40683389667785	1.863559910088647	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
m-Ins-1,3_3	3.530573348020964	740.9550685457049	12.03082693420275	2.097023111515455	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
m-Ins-1,3_3	3.528770627677654	1064.727886988522	19.16001776333965	1.938981578945804	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
m-Ins-1,3_3	3.528654742437577	1623.328472548158	31.05319790822288	1.907578134161225	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
m-Ins-1,3_3	3.528959134094141	831.8836541218569	15.19448319945374	1.944371222175878	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
m-Ins-1,3_3	3.529300864775611	2131.013201105387	36.06611157178465	2.055500427882639	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
m-Ins-1,3_3	3.529227296104129	2839.863179559762	51.58109654999933	1.934829167268514	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
m-Ins-1,3_3	3.5286900277736	1343.370469641325	25.26211938499415	1.855482982005179	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
m-Ins-1,3_3	3.528668054981975	1796.010409441275	30.15315973831484	2.092914220226086	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
m-Ins-1,3_3	3.528703905231611	1652.712033760302	31.96310409746714	1.821502559869366	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
m-Ins-1,3_3	3.528989034288236	1779.008342904889	30.02243344149988	2.067583489524228	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
m-Ins-1,3_3	3.52895328897998	1259.435660538829	20.08074509087454	2.129802419653994	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
m-Ins-1,3_3	3.528746285607876	1269.558241106814	23.47385243362247	1.872421698267864	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
m-Ins-1,3_4	3.532226578367879	1141.229850856019	20.19671558020162	1.971620543555338	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
m-Ins-1,3_4	3.533882104702755	750.0401990685381	14.78199098082002	1.780137933720083	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
m-Ins-1,3_4	3.533868168071042	1881.683668162843	36.79767436251674	1.79529040860527	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
m-Ins-1,3_4	3.533747431402269	552.7319348274713	10.94523923418976	1.804627397175554	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
m-Ins-1,3_4	3.533599591712522	992.6874786992398	19.58083533689893	1.817580930932314	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
m-Ins-1,3_4	3.533407637167075	1822.209947944164	33.11637463967912	1.910012787613204	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
m-Ins-1,3_4	3.533693841597392	826.7037634368871	15.48524201718728	1.834313678060413	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
m-Ins-1,3_4	3.534086471118097	1921.725574404344	36.51654944349534	1.881377158934644	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
m-Ins-1,3_4	3.53404854866163	2857.090637492718	53.60060951486773	1.859881399781783	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
m-Ins-1,3_4	3.533515057374364	1319.906186232432	26.11788735204946	1.77343136525938	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
m-Ins-1,3_4	3.533486873150355	1502.374187003512	29.43425746935498	1.902244610649187	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
m-Ins-1,3_4	3.53354630082802	1910.260195355211	34.64561590950402	1.888207125422855	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
m-Ins-1,3_4	3.533809512701138	1637.089366191263	29.56493907595096	1.920537218821661	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
m-Ins-1,3_4	3.533718383915452	1077.478219629154	19.62012338473904	1.9161862841835	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
m-Ins-1,3_4	3.533579526591266	1093.998678110016	23.54767614564798	1.671632593997865	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
m-Ins-2?_1	4.036464541987945	538.5142449973188	9.080618922984911	2.186418594598262	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
m-Ins-2?_1	4.042818828428947	313.6807559678045	5.675023320888919	1.981740656275265	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
m-Ins-2?_1	4.0427824345659	777.2463253468426	14.10414378402401	1.975779816445236	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
m-Ins-2?_1	4.042613058045577	293.0269194411643	4.969142457783558	2.131386151543284	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
m-Ins-2?_1	4.042510876389938	410.8317420674576	7.451669393426934	2.004508054565604	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
m-Ins-2?_1	4.042353850965976	656.9860626974449	11.85356517382344	1.987164218195951	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
m-Ins-2?_1	4.042627229540759	276.1759048434986	5.564617502200215	1.812750062618367	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
m-Ins-2?_1	4.042918305050636	782.5325352251733	14.34560754652989	2.030320366238457	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
m-Ins-2?_1	4.042901601150174	1081.273529212898	20.60838011907269	1.938959603776551	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
m-Ins-2?_1	4.042435167913818	525.501347845943	9.809819702383816	1.945780502083414	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
m-Ins-2?_1	4.042362713759546	623.2371905671628	11.4043723905713	2.03789038610289	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
m-Ins-2?_1	4.042445709697581	615.3195671527811	12.30297127281031	1.84392088215519	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
m-Ins-2?_1	4.042638430896861	545.4360189713262	10.37814433212803	1.932608942893577	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
m-Ins-2?_1	4.04258491731419	413.7614020396758	7.372862192313868	2.012057798598045	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
m-Ins-2?_1	4.042445977037543	506.2688358982172	9.229067472834389	1.966753661356236	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
m-Ins-2?_2	4.047323177400638	3675.720246910038	34.2732955638404	3.976788933924193	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
m-Ins-2?_2	4.047725005005185	632.8360317222777	11.65472217166551	1.95932909514623	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
m-Ins-2?_2	4.047684867004318	1519.338080618538	27.9617483741443	1.962747461451448	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
m-Ins-2?_2	4.047428982512876	599.3044537622119	9.667904403984533	2.178685142516247	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
m-Ins-2?_2	4.047425924833631	881.7077688521742	15.18918005638167	2.087580061171177	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
m-Ins-2?_2	4.047254830977416	1361.901836965824	24.32857442494878	2.018311667107729	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
m-Ins-2?_2	4.047537439765753	571.7553990350791	11.42964977411048	1.83472940350624	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
m-Ins-2?_2	4.047890140226833	1760.838083221152	29.30360894909576	2.140434417849281	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
m-Ins-2?_2	4.047813113834763	2298.627240481452	41.37167130970413	2.018917035822045	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
m-Ins-2?_2	4.047310047850635	1008.151821067731	19.79342457966558	1.872070385541379	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
m-Ins-2?_2	4.047297358291704	1353.756997592786	23.47625800113027	2.108143472955378	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
m-Ins-2?_2	4.047368852974642	1410.288631658679	25.7538976302909	1.971368444443964	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
m-Ins-2?_2	4.047564071561697	1140.061986702038	21.25665306422399	1.944504036135653	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
m-Ins-2?_2	4.047513504373704	900.8363099006227	15.69122947379175	2.065043032832374	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
m-Ins-2?_2	4.047366936543802	958.654307062084	18.25376162200368	1.910805697442663	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
m-Ins-2?_3	4.05254558389474	307.4626723533142	5.759733728900856	1.95932909514623	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
m-Ins-2?_3	4.052533091652855	752.381591995677	13.78424880190744	1.980685358332246	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
m-Ins-2?_3	4.052338770729027	437.8818927352154	5.492143986115982	2.574942794810557	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
m-Ins-2?_3	4.052286892236888	425.7857372463226	7.46284407537269	2.056965925710717	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
m-Ins-2?_3	4.052102139903421	784.7117051773688	12.50035284286469	2.197040539677069	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
m-Ins-2?_3	4.052320392346072	352.3563690033007	6.021795784592017	2.082297371738788	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
m-Ins-2?_3	4.052723622580243	915.9818706579155	14.90972161196958	2.204608861319172	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
m-Ins-2?_3	4.052657183094184	1373.357885832926	21.8412761193199	2.202232362079581	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
m-Ins-2?_3	4.052132388311827	639.524123160441	10.51483468309323	2.137262266031401	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
m-Ins-2?_3	4.052148106630924	667.155215613365	11.65294368689402	2.121725167306375	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
m-Ins-2?_3	4.052215187095038	755.9993106000638	13.14118523963474	2.053037003406106	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
m-Ins-2?_3	4.052391510385243	603.1553665435952	10.79905783995506	2.059182770494851	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
m-Ins-2?_3	4.05228039386708	495.2999183458458	8.139979305786143	2.183295284063514	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
m-Ins-2?_3	4.0521750288587	522.9653488429412	9.203907830556467	2.047644896038566	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
pyruvate-3_1	2.369911783138888	19.84810907880741	0.314955726536019	2.259416118871312	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
pyruvate-3_1	2.370286742011519	76.90269703981762	1.062729030372499	2.667906429064803	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
pyruvate-3_1	2.3698	40.715041	0.27	5.261651	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
pyruvate-3_1	2.369416560958216	21.8579697478385	0.2584860537713959	2.971501375055992	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
pyruvate-3_1	2.370444046000648	25.00901701376101	0.2716291512119229	3.212559698658054	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
pyruvate-3_1	2.369979081433654	45.54607133460645	0.6672039874196682	2.590103324466999	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
pyruvate-3_1	2.370736614729996	93.97830991256015	1.465352612934211	2.29938705071814	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
pyruvate-3_1	2.370746038894469	85.63650105088225	1.604016817063352	1.894218417235651	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
pyruvate-3_1	2.369700663703431	49.10510630354413	0.7068161555187891	2.553005386494827	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
pyruvate-3_1	2.369872079419542	58.30070849136227	0.811518791481829	2.57573895107317	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
pyruvate-3_1	2.370379134983359	48.38155830223904	0.4861157957966292	3.669371519570102	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
pyruvate-3_1	2.370433060905318	65.2315529440279	1.041882380006952	2.21345196543161	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
pyruvate-3_1	2.370660130342686	60.34793463910763	0.5650421063843563	3.535334160788955	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
pyruvate-3_1	2.370382789957799	45.73647785370289	0.425304904823166	3.749643219753765	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
EXTENDED_NMR_METABOLITE_DATA_END
#END
