#METABOLOMICS WORKBENCH goncalog_20200122_104307 DATATRACK_ID:1902 STUDY_ID:ST001308 ANALYSIS_ID:AN002177 PROJECT_ID:PR000889
VERSION             	1
CREATED_ON             	January 27, 2020, 12:08 pm
#PROJECT
PR:PROJECT_TITLE                 	1H NMR metabolomics confirms serine hydroxymethyltransferase is the primary
PR:PROJECT_TITLE                 	target of 2-aminoacrylate in a ridA mutant of Salmonella enterica
PR:PROJECT_TYPE                  	NMR metabolomics Salmonella enterica
PR:PROJECT_SUMMARY               	The reactive intermediate deaminase RidA (EC: 3.5.99.10) is conserved across all
PR:PROJECT_SUMMARY               	domains of life and deaminates reactive enamine species. When S. enterica ridA
PR:PROJECT_SUMMARY               	mutants are grown in minimal medium, 2-aminoacrylate (2AA) accumulates, damages
PR:PROJECT_SUMMARY               	several pyridoxal 5’-phosphate (PLP)- dependent enzymes, and elicits an
PR:PROJECT_SUMMARY               	observable growth defect. Genetic studies suggested that damage to serine
PR:PROJECT_SUMMARY               	hydroxymethyltransferase (GlyA), and the resultant depletion of
PR:PROJECT_SUMMARY               	5,10-methelenetetrahydrofolate (5,10-mTHF), was responsible for the observed
PR:PROJECT_SUMMARY               	growth defect. However, the downstream metabolic consequence from GlyA damage by
PR:PROJECT_SUMMARY               	2AA remains relatively unexplored. This study sought to use untargeted 1H NMR
PR:PROJECT_SUMMARY               	metabolomics to determine whether the metabolic state of a S. enterica ridA
PR:PROJECT_SUMMARY               	mutant was accurately reflected by characterizing growth phenotypes. The data
PR:PROJECT_SUMMARY               	supported the conclusion that metabolic changes in a ridA mutant were due to the
PR:PROJECT_SUMMARY               	IlvA-dependent generation of 2AA, and that the majority of these changes were a
PR:PROJECT_SUMMARY               	consequence of damage to GlyA. While many of the shifts in the metabolome of a
PR:PROJECT_SUMMARY               	ridA mutant could be explained, changes in some metabolites were not easily
PR:PROJECT_SUMMARY               	modeled, suggesting that additional levels of metabolic complexity remain to be
PR:PROJECT_SUMMARY               	unraveled.
PR:INSTITUTE                     	University of Georgia
PR:DEPARTMENT                    	Microbiology, Biochemistry, Complex Carbohydrate Research Center
PR:LABORATORY                    	Edison Lab and Downs lab
PR:LAST_NAME                     	Edison
PR:FIRST_NAME                    	Arthur
PR:ADDRESS                       	315 riverbend road, Complex Carbohydrate Research Centre, ATHENS, GA, 30605, USA
PR:EMAIL                         	aedison@uga.edu
PR:PHONE                         	na
PR:CONTRIBUTORS                  	Andrew J. Borchert, Goncalo J. Gouveia, Arthur S. Edison, and Diana M. Downs
#STUDY
ST:STUDY_TITLE                   	1H NMR metabolomics corroborates serine hydroxymethyltransferase as the primary
ST:STUDY_TITLE                   	target of 2-aminoacrylate in a ridA mutant of Salmonella enterica
ST:STUDY_TYPE                    	NMR metabolomics on Salmonella enterica
ST:STUDY_SUMMARY                 	The reactive intermediate deaminase RidA (EC: 3.5.99.10) is conserved across all
ST:STUDY_SUMMARY                 	domains of life and deaminates reactive enamine species. When S. enterica ridA
ST:STUDY_SUMMARY                 	mutants are grown in minimal medium, 2-aminoacrylate (2AA) accumulates, damages
ST:STUDY_SUMMARY                 	several pyridoxal 5’-phosphate (PLP)- dependent enzymes, and elicits an
ST:STUDY_SUMMARY                 	observable growth defect. Genetic studies suggested that damage to serine
ST:STUDY_SUMMARY                 	hydroxymethyltransferase (GlyA), and the resultant depletion of
ST:STUDY_SUMMARY                 	5,10-methelenetetrahydrofolate (5,10-mTHF), was responsible for the observed
ST:STUDY_SUMMARY                 	growth defect. However, the downstream metabolic consequence from GlyA damage by
ST:STUDY_SUMMARY                 	2AA remains relatively unexplored. This study sought to use untargeted 1H NMR
ST:STUDY_SUMMARY                 	metabolomics to determine whether the metabolic state of a S. enterica ridA
ST:STUDY_SUMMARY                 	mutant was accurately reflected by characterizing growth phenotypes. The data
ST:STUDY_SUMMARY                 	supported the conclusion that metabolic changes in a ridA mutant were due to the
ST:STUDY_SUMMARY                 	IlvA-dependent generation of 2AA, and that the majority of these changes were a
ST:STUDY_SUMMARY                 	consequence of damage to GlyA. While many of the shifts in the metabolome of a
ST:STUDY_SUMMARY                 	ridA mutant could be explained, changes in some metabolites were not easily
ST:STUDY_SUMMARY                 	modeled, suggesting that additional levels of metabolic complexity remain to be
ST:STUDY_SUMMARY                 	unraveled.
ST:INSTITUTE                     	University of Georgia
ST:DEPARTMENT                    	Microbiology, Biochemistry, Complex Carbohydrate Research Center
ST:LABORATORY                    	Edison Lab and Downs lab
ST:LAST_NAME                     	Gouveia
ST:FIRST_NAME                    	Goncalo
ST:ADDRESS                       	315 riverbend road, Complex Carbohydrate Research Centre, ATHENS, GA, 30605, USA
ST:EMAIL                         	goncalog@uga.edu
ST:PHONE                         	7063087500
ST:NUM_GROUPS                    	4
ST:TOTAL_SUBJECTS                	40
#SUBJECT
SU:SUBJECT_TYPE                  	Bacteria
SU:SUBJECT_SPECIES               	Salmonella enterica serovar Typhimurium
SU:TAXONOMY_ID                   	90371
SU:GENOTYPE_STRAIN               	LT2
SU:GENDER                        	Not applicable
SU:SUBJECT_COMMENTS              	The wild type as describe, also used a ridA null mutant (DM3480,
SU:SUBJECT_COMMENTS              	ridA3::MudJ1734), DM9404
#SUBJECT_SAMPLE_FACTORS:         	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data
SUBJECT_SAMPLE_FACTORS           	-	3480 +Ile 8	Sample_group:mut_ile | Genotype:rid1-knockout | Suplement:isoleucine	RAW_FILE_NAME=3; NMR_experiment=1; NMR_Sample_prep_ID=1
SUBJECT_SAMPLE_FACTORS           	-	9404 Min 4	Sample_group:wt_min | Genotype:wild-type | Suplement:minimal	RAW_FILE_NAME=4; NMR_experiment=1; NMR_Sample_prep_ID=2
SUBJECT_SAMPLE_FACTORS           	-	9404 +Ile 10	Sample_group:wt_ile | Genotype:wild-type | Suplement:isoleucine	RAW_FILE_NAME=5; NMR_experiment=1; NMR_Sample_prep_ID=3
SUBJECT_SAMPLE_FACTORS           	-	9404 Min 8	Sample_group:wt_min | Genotype:wild-type | Suplement:minimal	RAW_FILE_NAME=6; NMR_experiment=1; NMR_Sample_prep_ID=4
SUBJECT_SAMPLE_FACTORS           	-	9404 +Gly 8	Sample_group:wt_gly | Genotype:wild-type | Suplement:glycine	RAW_FILE_NAME=7; NMR_experiment=1; NMR_Sample_prep_ID=5
SUBJECT_SAMPLE_FACTORS           	-	9404 Min 2	Sample_group:wt_min | Genotype:wild-type | Suplement:minimal	RAW_FILE_NAME=8; NMR_experiment=1; NMR_Sample_prep_ID=6
SUBJECT_SAMPLE_FACTORS           	-	3480 +Gly 3	Sample_group:mut_gly | Genotype:rid1-knockout | Suplement:glycine	RAW_FILE_NAME=9; NMR_experiment=1; NMR_Sample_prep_ID=7
SUBJECT_SAMPLE_FACTORS           	-	3480 +Gly 10	Sample_group:mut_gly | Genotype:rid1-knockout | Suplement:glycine	RAW_FILE_NAME=10; NMR_experiment=1; NMR_Sample_prep_ID=8
SUBJECT_SAMPLE_FACTORS           	-	9404 +Ile 7	Sample_group:wt_ile | Genotype:wild-type | Suplement:isoleucine	RAW_FILE_NAME=11; NMR_experiment=1; NMR_Sample_prep_ID=9
SUBJECT_SAMPLE_FACTORS           	-	9404 +Gly 6	Sample_group:wt_gly | Genotype:wild-type | Suplement:glycine	RAW_FILE_NAME=12; NMR_experiment=1; NMR_Sample_prep_ID=10
SUBJECT_SAMPLE_FACTORS           	-	3480 Min 3	Sample_group:mut_min | Genotype:rid1-knockout | Suplement:minimal	RAW_FILE_NAME=13; NMR_experiment=1; NMR_Sample_prep_ID=11
SUBJECT_SAMPLE_FACTORS           	-	3480 +Gly 6	Sample_group:mut_gly | Genotype:rid1-knockout | Suplement:glycine	RAW_FILE_NAME=14; NMR_experiment=1; NMR_Sample_prep_ID=12
SUBJECT_SAMPLE_FACTORS           	-	3480 +Ile 9	Sample_group:mut_ile | Genotype:rid1-knockout | Suplement:isoleucine	RAW_FILE_NAME=15; NMR_experiment=1; NMR_Sample_prep_ID=13
SUBJECT_SAMPLE_FACTORS           	-	3480 Min 4	Sample_group:mut_min | Genotype:rid1-knockout | Suplement:minimal	RAW_FILE_NAME=16; NMR_experiment=1; NMR_Sample_prep_ID=14
SUBJECT_SAMPLE_FACTORS           	-	9404 +Ile 4	Sample_group:wt_ile | Genotype:wild-type | Suplement:isoleucine	RAW_FILE_NAME=17; NMR_experiment=1; NMR_Sample_prep_ID=15
SUBJECT_SAMPLE_FACTORS           	-	9404 Min 7	Sample_group:wt_min | Genotype:wild-type | Suplement:minimal	RAW_FILE_NAME=18; NMR_experiment=1; NMR_Sample_prep_ID=16
SUBJECT_SAMPLE_FACTORS           	-	3480 +Gly 8	Sample_group:mut_gly | Genotype:rid1-knockout | Suplement:glycine	RAW_FILE_NAME=19; NMR_experiment=1; NMR_Sample_prep_ID=17
SUBJECT_SAMPLE_FACTORS           	-	9404 +Gly 3	Sample_group:wt_gly | Genotype:wild-type | Suplement:glycine	RAW_FILE_NAME=20; NMR_experiment=1; NMR_Sample_prep_ID=18
SUBJECT_SAMPLE_FACTORS           	-	3480 +Ile 3	Sample_group:mut_ile | Genotype:rid1-knockout | Suplement:isoleucine	RAW_FILE_NAME=21; NMR_experiment=1; NMR_Sample_prep_ID=19
SUBJECT_SAMPLE_FACTORS           	-	3480 Min 8	Sample_group:mut_min | Genotype:rid1-knockout | Suplement:minimal	RAW_FILE_NAME=22; NMR_experiment=1; NMR_Sample_prep_ID=20
SUBJECT_SAMPLE_FACTORS           	-	3480 +Ile 2	Sample_group:mut_ile | Genotype:rid1-knockout | Suplement:isoleucine	RAW_FILE_NAME=23; NMR_experiment=1; NMR_Sample_prep_ID=21
SUBJECT_SAMPLE_FACTORS           	-	9404 Min 1	Sample_group:wt_min | Genotype:wild-type | Suplement:minimal	RAW_FILE_NAME=24; NMR_experiment=1; NMR_Sample_prep_ID=22
SUBJECT_SAMPLE_FACTORS           	-	9404 +Gly 4	Sample_group:wt_gly | Genotype:wild-type | Suplement:glycine	RAW_FILE_NAME=25; NMR_experiment=1; NMR_Sample_prep_ID=23
SUBJECT_SAMPLE_FACTORS           	-	3480 Min 1	Sample_group:mut_min | Genotype:rid1-knockout | Suplement:minimal	RAW_FILE_NAME=26; NMR_experiment=1; NMR_Sample_prep_ID=24
SUBJECT_SAMPLE_FACTORS           	-	9404 Min 6	Sample_group:wt_min | Genotype:wild-type | Suplement:minimal	RAW_FILE_NAME=28; NMR_experiment=1; NMR_Sample_prep_ID=25
SUBJECT_SAMPLE_FACTORS           	-	3480 +Gly 7	Sample_group:mut_gly | Genotype:rid1-knockout | Suplement:glycine	RAW_FILE_NAME=29; NMR_experiment=1; NMR_Sample_prep_ID=26
SUBJECT_SAMPLE_FACTORS           	-	9404 +Ile 8	Sample_group:wt_ile | Genotype:wild-type | Suplement:isoleucine	RAW_FILE_NAME=30; NMR_experiment=1; NMR_Sample_prep_ID=27
SUBJECT_SAMPLE_FACTORS           	-	9404 +Gly 10	Sample_group:wt_gly | Genotype:wild-type | Suplement:glycine	RAW_FILE_NAME=32; NMR_experiment=1; NMR_Sample_prep_ID=28
SUBJECT_SAMPLE_FACTORS           	-	9404 +Ile 9	Sample_group:wt_ile | Genotype:wild-type | Suplement:isoleucine	RAW_FILE_NAME=33; NMR_experiment=1; NMR_Sample_prep_ID=29
SUBJECT_SAMPLE_FACTORS           	-	3480 +Ile 10	Sample_group:mut_ile | Genotype:rid1-knockout | Suplement:isoleucine	RAW_FILE_NAME=34; NMR_experiment=1; NMR_Sample_prep_ID=30
SUBJECT_SAMPLE_FACTORS           	-	3480 +Gly 5	Sample_group:mut_gly | Genotype:rid1-knockout | Suplement:glycine	RAW_FILE_NAME=35; NMR_experiment=1; NMR_Sample_prep_ID=31
SUBJECT_SAMPLE_FACTORS           	-	3480 Min 9	Sample_group:mut_min | Genotype:rid1-knockout | Suplement:minimal	RAW_FILE_NAME=36; NMR_experiment=1; NMR_Sample_prep_ID=32
SUBJECT_SAMPLE_FACTORS           	-	9404 +Gly 9	Sample_group:wt_gly | Genotype:wild-type | Suplement:glycine	RAW_FILE_NAME=37; NMR_experiment=1; NMR_Sample_prep_ID=33
SUBJECT_SAMPLE_FACTORS           	-	9404 +Gly 5	Sample_group:wt_gly | Genotype:wild-type | Suplement:glycine	RAW_FILE_NAME=38; NMR_experiment=1; NMR_Sample_prep_ID=34
SUBJECT_SAMPLE_FACTORS           	-	9404 Min 9	Sample_group:wt_min | Genotype:wild-type | Suplement:minimal	RAW_FILE_NAME=39; NMR_experiment=1; NMR_Sample_prep_ID=35
SUBJECT_SAMPLE_FACTORS           	-	9404 +Gly 1	Sample_group:wt_gly | Genotype:wild-type | Suplement:glycine	RAW_FILE_NAME=40; NMR_experiment=1; NMR_Sample_prep_ID=36
SUBJECT_SAMPLE_FACTORS           	-	3480 Min 5	Sample_group:mut_min | Genotype:rid1-knockout | Suplement:minimal	RAW_FILE_NAME=41; NMR_experiment=1; NMR_Sample_prep_ID=37
SUBJECT_SAMPLE_FACTORS           	-	3480 +Gly 1	Sample_group:mut_gly | Genotype:rid1-knockout | Suplement:glycine	RAW_FILE_NAME=42; NMR_experiment=1; NMR_Sample_prep_ID=38
SUBJECT_SAMPLE_FACTORS           	-	3480 Min 2	Sample_group:mut_min | Genotype:rid1-knockout | Suplement:minimal	RAW_FILE_NAME=44; NMR_experiment=1; NMR_Sample_prep_ID=39
SUBJECT_SAMPLE_FACTORS           	-	3480 Min 7	Sample_group:mut_min | Genotype:rid1-knockout | Suplement:minimal	RAW_FILE_NAME=45; NMR_experiment=1; NMR_Sample_prep_ID=40
SUBJECT_SAMPLE_FACTORS           	-	9404 Min 3	Sample_group:wt_min | Genotype:wild-type | Suplement:minimal	RAW_FILE_NAME=47; NMR_experiment=1; NMR_Sample_prep_ID=41
SUBJECT_SAMPLE_FACTORS           	-	3480 Min 6	Sample_group:mut_min | Genotype:rid1-knockout | Suplement:minimal	RAW_FILE_NAME=48; NMR_experiment=1; NMR_Sample_prep_ID=42
SUBJECT_SAMPLE_FACTORS           	-	3480 +Ile 1	Sample_group:mut_ile | Genotype:rid1-knockout | Suplement:isoleucine	RAW_FILE_NAME=50; NMR_experiment=1; NMR_Sample_prep_ID=43
SUBJECT_SAMPLE_FACTORS           	-	9404 +Ile 5	Sample_group:wt_ile | Genotype:wild-type | Suplement:isoleucine	RAW_FILE_NAME=51; NMR_experiment=1; NMR_Sample_prep_ID=44
SUBJECT_SAMPLE_FACTORS           	-	3480 +Ile 4	Sample_group:mut_ile | Genotype:rid1-knockout | Suplement:isoleucine	RAW_FILE_NAME=52; NMR_experiment=1; NMR_Sample_prep_ID=45
SUBJECT_SAMPLE_FACTORS           	-	9404 +Ile 3	Sample_group:wt_ile | Genotype:wild-type | Suplement:isoleucine	RAW_FILE_NAME=53; NMR_experiment=1; NMR_Sample_prep_ID=46
SUBJECT_SAMPLE_FACTORS           	-	3480 +Gly 9	Sample_group:mut_gly | Genotype:rid1-knockout | Suplement:glycine	RAW_FILE_NAME=55; NMR_experiment=1; NMR_Sample_prep_ID=47
SUBJECT_SAMPLE_FACTORS           	-	9404 +Ile 1	Sample_group:wt_ile | Genotype:wild-type | Suplement:isoleucine	RAW_FILE_NAME=56; NMR_experiment=1; NMR_Sample_prep_ID=48
SUBJECT_SAMPLE_FACTORS           	-	3480 +Gly 2	Sample_group:mut_gly | Genotype:rid1-knockout | Suplement:glycine	RAW_FILE_NAME=57; NMR_experiment=1; NMR_Sample_prep_ID=49
SUBJECT_SAMPLE_FACTORS           	-	9404 Min 10	Sample_group:wt_min | Genotype:wild-type | Suplement:minimal	RAW_FILE_NAME=58; NMR_experiment=1; NMR_Sample_prep_ID=50
SUBJECT_SAMPLE_FACTORS           	-	9404 +Ile 2	Sample_group:wt_ile | Genotype:wild-type | Suplement:isoleucine	RAW_FILE_NAME=59; NMR_experiment=1; NMR_Sample_prep_ID=51
SUBJECT_SAMPLE_FACTORS           	-	3480 +Ile 7	Sample_group:mut_ile | Genotype:rid1-knockout | Suplement:isoleucine	RAW_FILE_NAME=60; NMR_experiment=1; NMR_Sample_prep_ID=52
SUBJECT_SAMPLE_FACTORS           	-	3480 +Ile 6	Sample_group:mut_ile | Genotype:rid1-knockout | Suplement:isoleucine	RAW_FILE_NAME=61; NMR_experiment=1; NMR_Sample_prep_ID=53
SUBJECT_SAMPLE_FACTORS           	-	9404 +Gly 2	Sample_group:wt_gly | Genotype:wild-type | Suplement:glycine	RAW_FILE_NAME=62; NMR_experiment=1; NMR_Sample_prep_ID=54
SUBJECT_SAMPLE_FACTORS           	-	9404 +Ile 6	Sample_group:wt_ile | Genotype:wild-type | Suplement:isoleucine	RAW_FILE_NAME=63; NMR_experiment=1; NMR_Sample_prep_ID=55
SUBJECT_SAMPLE_FACTORS           	-	3480 +Gly 4	Sample_group:mut_gly | Genotype:rid1-knockout | Suplement:glycine	RAW_FILE_NAME=64; NMR_experiment=1; NMR_Sample_prep_ID=56
SUBJECT_SAMPLE_FACTORS           	-	3480 +Ile 5	Sample_group:mut_ile | Genotype:rid1-knockout | Suplement:isoleucine	RAW_FILE_NAME=66; NMR_experiment=1; NMR_Sample_prep_ID=57
SUBJECT_SAMPLE_FACTORS           	-	9404 +Gly 7	Sample_group:wt_gly | Genotype:wild-type | Suplement:glycine	RAW_FILE_NAME=67; NMR_experiment=1; NMR_Sample_prep_ID=58
SUBJECT_SAMPLE_FACTORS           	-	3480 Min 10	Sample_group:mut_min | Genotype:rid1-knockout | Suplement:minimal	RAW_FILE_NAME=68; NMR_experiment=1; NMR_Sample_prep_ID=59
SUBJECT_SAMPLE_FACTORS           	-	9404 Min 5	Sample_group:wt_min | Genotype:wild-type | Suplement:minimal	RAW_FILE_NAME=69; NMR_experiment=1; NMR_Sample_prep_ID=60
SUBJECT_SAMPLE_FACTORS           	-	media_3480 +Ile 8	Sample_group:mut_ile | Genotype:rid1-knockout | Suplement:isoleucine	RAW_FILE_NAME=2; NMR_experiment=2; NMR_Sample_prep_ID=1
SUBJECT_SAMPLE_FACTORS           	-	media_9404 Min 4	Sample_group:wt_min | Genotype:wild-type | Suplement:minimal	RAW_FILE_NAME=3; NMR_experiment=2; NMR_Sample_prep_ID=2
SUBJECT_SAMPLE_FACTORS           	-	media_9404 +Ile 10	Sample_group:wt_ile | Genotype:wild-type | Suplement:isoleucine	RAW_FILE_NAME=4; NMR_experiment=2; NMR_Sample_prep_ID=3
SUBJECT_SAMPLE_FACTORS           	-	media_9404 Min 8	Sample_group:wt_min | Genotype:wild-type | Suplement:minimal	RAW_FILE_NAME=5; NMR_experiment=2; NMR_Sample_prep_ID=4
SUBJECT_SAMPLE_FACTORS           	-	media_9404 +Gly 8	Sample_group:wt_gly | Genotype:wild-type | Suplement:glycine	RAW_FILE_NAME=6; NMR_experiment=2; NMR_Sample_prep_ID=5
SUBJECT_SAMPLE_FACTORS           	-	media_9404 Min 2	Sample_group:wt_min | Genotype:wild-type | Suplement:minimal	RAW_FILE_NAME=7; NMR_experiment=2; NMR_Sample_prep_ID=6
SUBJECT_SAMPLE_FACTORS           	-	media_3480 +Gly 3	Sample_group:mut_gly | Genotype:rid1-knockout | Suplement:glycine	RAW_FILE_NAME=8; NMR_experiment=2; NMR_Sample_prep_ID=7
SUBJECT_SAMPLE_FACTORS           	-	media_3480 +Gly 10	Sample_group:mut_gly | Genotype:rid1-knockout | Suplement:glycine	RAW_FILE_NAME=9; NMR_experiment=2; NMR_Sample_prep_ID=8
SUBJECT_SAMPLE_FACTORS           	-	media_9404 +Ile 7	Sample_group:wt_ile | Genotype:wild-type | Suplement:isoleucine	RAW_FILE_NAME=10; NMR_experiment=2; NMR_Sample_prep_ID=9
SUBJECT_SAMPLE_FACTORS           	-	media_9404 +Gly 6	Sample_group:wt_gly | Genotype:wild-type | Suplement:glycine	RAW_FILE_NAME=11; NMR_experiment=2; NMR_Sample_prep_ID=10
SUBJECT_SAMPLE_FACTORS           	-	media_3480 Min 3	Sample_group:mut_min | Genotype:rid1-knockout | Suplement:minimal	RAW_FILE_NAME=12; NMR_experiment=2; NMR_Sample_prep_ID=11
SUBJECT_SAMPLE_FACTORS           	-	media_3480 +Gly 6	Sample_group:mut_gly | Genotype:rid1-knockout | Suplement:glycine	RAW_FILE_NAME=13; NMR_experiment=2; NMR_Sample_prep_ID=12
SUBJECT_SAMPLE_FACTORS           	-	media_3480 +Ile 9	Sample_group:mut_ile | Genotype:rid1-knockout | Suplement:isoleucine	RAW_FILE_NAME=14; NMR_experiment=2; NMR_Sample_prep_ID=13
SUBJECT_SAMPLE_FACTORS           	-	media_3480 Min 4	Sample_group:mut_min | Genotype:rid1-knockout | Suplement:minimal	RAW_FILE_NAME=15; NMR_experiment=2; NMR_Sample_prep_ID=14
SUBJECT_SAMPLE_FACTORS           	-	media_9404 +Ile 4	Sample_group:wt_ile | Genotype:wild-type | Suplement:isoleucine	RAW_FILE_NAME=16; NMR_experiment=2; NMR_Sample_prep_ID=15
SUBJECT_SAMPLE_FACTORS           	-	media_9404 Min 7	Sample_group:wt_min | Genotype:wild-type | Suplement:minimal	RAW_FILE_NAME=17; NMR_experiment=2; NMR_Sample_prep_ID=16
SUBJECT_SAMPLE_FACTORS           	-	media_3480 +Gly 8	Sample_group:mut_gly | Genotype:rid1-knockout | Suplement:glycine	RAW_FILE_NAME=18; NMR_experiment=2; NMR_Sample_prep_ID=17
SUBJECT_SAMPLE_FACTORS           	-	media_9404 +Gly 3	Sample_group:wt_gly | Genotype:wild-type | Suplement:glycine	RAW_FILE_NAME=19; NMR_experiment=2; NMR_Sample_prep_ID=18
SUBJECT_SAMPLE_FACTORS           	-	media_3480 +Ile 3	Sample_group:mut_ile | Genotype:rid1-knockout | Suplement:isoleucine	RAW_FILE_NAME=20; NMR_experiment=2; NMR_Sample_prep_ID=19
SUBJECT_SAMPLE_FACTORS           	-	media_3480 Min 8	Sample_group:mut_min | Genotype:rid1-knockout | Suplement:minimal	RAW_FILE_NAME=21; NMR_experiment=2; NMR_Sample_prep_ID=20
SUBJECT_SAMPLE_FACTORS           	-	media_3480 +Ile 2	Sample_group:mut_ile | Genotype:rid1-knockout | Suplement:isoleucine	RAW_FILE_NAME=22; NMR_experiment=2; NMR_Sample_prep_ID=21
SUBJECT_SAMPLE_FACTORS           	-	media_9404 Min 1	Sample_group:wt_min | Genotype:wild-type | Suplement:minimal	RAW_FILE_NAME=23; NMR_experiment=2; NMR_Sample_prep_ID=22
SUBJECT_SAMPLE_FACTORS           	-	media_9404 +Gly 4	Sample_group:wt_gly | Genotype:wild-type | Suplement:glycine	RAW_FILE_NAME=24; NMR_experiment=2; NMR_Sample_prep_ID=23
SUBJECT_SAMPLE_FACTORS           	-	media_3480 Min 1	Sample_group:mut_min | Genotype:rid1-knockout | Suplement:minimal	RAW_FILE_NAME=25; NMR_experiment=2; NMR_Sample_prep_ID=24
SUBJECT_SAMPLE_FACTORS           	-	media_9404 Min 6	Sample_group:wt_min | Genotype:wild-type | Suplement:minimal	RAW_FILE_NAME=26; NMR_experiment=2; NMR_Sample_prep_ID=25
SUBJECT_SAMPLE_FACTORS           	-	media_3480 +Gly 7	Sample_group:mut_gly | Genotype:rid1-knockout | Suplement:glycine	RAW_FILE_NAME=27; NMR_experiment=2; NMR_Sample_prep_ID=26
SUBJECT_SAMPLE_FACTORS           	-	media_9404 +Ile 8	Sample_group:wt_ile | Genotype:wild-type | Suplement:isoleucine	RAW_FILE_NAME=28; NMR_experiment=2; NMR_Sample_prep_ID=27
SUBJECT_SAMPLE_FACTORS           	-	media_9404 +Gly 10	Sample_group:wt_gly | Genotype:wild-type | Suplement:glycine	RAW_FILE_NAME=29; NMR_experiment=2; NMR_Sample_prep_ID=28
SUBJECT_SAMPLE_FACTORS           	-	media_9404 +Ile 9	Sample_group:wt_ile | Genotype:wild-type | Suplement:isoleucine	RAW_FILE_NAME=30; NMR_experiment=2; NMR_Sample_prep_ID=29
SUBJECT_SAMPLE_FACTORS           	-	media_3480 +Ile 10	Sample_group:mut_ile | Genotype:rid1-knockout | Suplement:isoleucine	RAW_FILE_NAME=31; NMR_experiment=2; NMR_Sample_prep_ID=30
SUBJECT_SAMPLE_FACTORS           	-	media_3480 +Gly 5	Sample_group:mut_gly | Genotype:rid1-knockout | Suplement:glycine	RAW_FILE_NAME=32; NMR_experiment=2; NMR_Sample_prep_ID=31
SUBJECT_SAMPLE_FACTORS           	-	media_3480 Min 9	Sample_group:mut_min | Genotype:rid1-knockout | Suplement:minimal	RAW_FILE_NAME=33; NMR_experiment=2; NMR_Sample_prep_ID=32
SUBJECT_SAMPLE_FACTORS           	-	media_9404 +Gly 9	Sample_group:wt_gly | Genotype:wild-type | Suplement:glycine	RAW_FILE_NAME=34; NMR_experiment=2; NMR_Sample_prep_ID=33
SUBJECT_SAMPLE_FACTORS           	-	media_9404 +Gly 5	Sample_group:wt_gly | Genotype:wild-type | Suplement:glycine	RAW_FILE_NAME=35; NMR_experiment=2; NMR_Sample_prep_ID=34
SUBJECT_SAMPLE_FACTORS           	-	media_9404 Min 9	Sample_group:wt_min | Genotype:wild-type | Suplement:minimal	RAW_FILE_NAME=36; NMR_experiment=2; NMR_Sample_prep_ID=35
SUBJECT_SAMPLE_FACTORS           	-	media_9404 +Gly 1	Sample_group:wt_gly | Genotype:wild-type | Suplement:glycine	RAW_FILE_NAME=37; NMR_experiment=2; NMR_Sample_prep_ID=36
SUBJECT_SAMPLE_FACTORS           	-	media_3480 Min 5	Sample_group:mut_min | Genotype:rid1-knockout | Suplement:minimal	RAW_FILE_NAME=38; NMR_experiment=2; NMR_Sample_prep_ID=37
SUBJECT_SAMPLE_FACTORS           	-	media_3480 +Gly 1	Sample_group:mut_gly | Genotype:rid1-knockout | Suplement:glycine	RAW_FILE_NAME=39; NMR_experiment=2; NMR_Sample_prep_ID=38
SUBJECT_SAMPLE_FACTORS           	-	media_3480 Min 2	Sample_group:mut_min | Genotype:rid1-knockout | Suplement:minimal	RAW_FILE_NAME=40; NMR_experiment=2; NMR_Sample_prep_ID=39
SUBJECT_SAMPLE_FACTORS           	-	media_3480 Min 7	Sample_group:mut_min | Genotype:rid1-knockout | Suplement:minimal	RAW_FILE_NAME=41; NMR_experiment=2; NMR_Sample_prep_ID=40
SUBJECT_SAMPLE_FACTORS           	-	media_9404 Min 3	Sample_group:wt_min | Genotype:wild-type | Suplement:minimal	RAW_FILE_NAME=42; NMR_experiment=2; NMR_Sample_prep_ID=41
SUBJECT_SAMPLE_FACTORS           	-	media_3480 Min 6	Sample_group:mut_min | Genotype:rid1-knockout | Suplement:minimal	RAW_FILE_NAME=43; NMR_experiment=2; NMR_Sample_prep_ID=42
SUBJECT_SAMPLE_FACTORS           	-	media_3480 +Ile 1	Sample_group:mut_ile | Genotype:rid1-knockout | Suplement:isoleucine	RAW_FILE_NAME=44; NMR_experiment=2; NMR_Sample_prep_ID=43
SUBJECT_SAMPLE_FACTORS           	-	media_9404 +Ile 5	Sample_group:wt_ile | Genotype:wild-type | Suplement:isoleucine	RAW_FILE_NAME=45; NMR_experiment=2; NMR_Sample_prep_ID=44
SUBJECT_SAMPLE_FACTORS           	-	media_3480 +Ile 4	Sample_group:mut_ile | Genotype:rid1-knockout | Suplement:isoleucine	RAW_FILE_NAME=46; NMR_experiment=2; NMR_Sample_prep_ID=45
SUBJECT_SAMPLE_FACTORS           	-	media_9404 +Ile 3	Sample_group:wt_ile | Genotype:wild-type | Suplement:isoleucine	RAW_FILE_NAME=47; NMR_experiment=2; NMR_Sample_prep_ID=46
SUBJECT_SAMPLE_FACTORS           	-	media_3480 +Gly 9	Sample_group:mut_gly | Genotype:rid1-knockout | Suplement:glycine	RAW_FILE_NAME=48; NMR_experiment=2; NMR_Sample_prep_ID=47
SUBJECT_SAMPLE_FACTORS           	-	media_9404 +Ile 1	Sample_group:wt_ile | Genotype:wild-type | Suplement:isoleucine	RAW_FILE_NAME=49; NMR_experiment=2; NMR_Sample_prep_ID=48
SUBJECT_SAMPLE_FACTORS           	-	media_3480 +Gly 2	Sample_group:mut_gly | Genotype:rid1-knockout | Suplement:glycine	RAW_FILE_NAME=50; NMR_experiment=2; NMR_Sample_prep_ID=49
SUBJECT_SAMPLE_FACTORS           	-	media_9404 Min 10	Sample_group:wt_min | Genotype:wild-type | Suplement:minimal	RAW_FILE_NAME=51; NMR_experiment=2; NMR_Sample_prep_ID=50
SUBJECT_SAMPLE_FACTORS           	-	media_9404 +Ile 2	Sample_group:wt_ile | Genotype:wild-type | Suplement:isoleucine	RAW_FILE_NAME=52; NMR_experiment=2; NMR_Sample_prep_ID=51
SUBJECT_SAMPLE_FACTORS           	-	media_3480 +Ile 7	Sample_group:mut_ile | Genotype:rid1-knockout | Suplement:isoleucine	RAW_FILE_NAME=53; NMR_experiment=2; NMR_Sample_prep_ID=52
SUBJECT_SAMPLE_FACTORS           	-	media_3480 +Ile 6	Sample_group:mut_ile | Genotype:rid1-knockout | Suplement:isoleucine	RAW_FILE_NAME=54; NMR_experiment=2; NMR_Sample_prep_ID=53
SUBJECT_SAMPLE_FACTORS           	-	media_9404 +Gly 2	Sample_group:wt_gly | Genotype:wild-type | Suplement:glycine	RAW_FILE_NAME=55; NMR_experiment=2; NMR_Sample_prep_ID=54
SUBJECT_SAMPLE_FACTORS           	-	media_9404 +Ile 6	Sample_group:wt_ile | Genotype:wild-type | Suplement:isoleucine	RAW_FILE_NAME=56; NMR_experiment=2; NMR_Sample_prep_ID=55
SUBJECT_SAMPLE_FACTORS           	-	media_3480 +Gly 4	Sample_group:mut_gly | Genotype:rid1-knockout | Suplement:glycine	RAW_FILE_NAME=57; NMR_experiment=2; NMR_Sample_prep_ID=56
SUBJECT_SAMPLE_FACTORS           	-	media_3480 +Ile 5	Sample_group:mut_ile | Genotype:rid1-knockout | Suplement:isoleucine	RAW_FILE_NAME=58; NMR_experiment=2; NMR_Sample_prep_ID=57
SUBJECT_SAMPLE_FACTORS           	-	media_9404 +Gly 7	Sample_group:wt_gly | Genotype:wild-type | Suplement:glycine	RAW_FILE_NAME=59; NMR_experiment=2; NMR_Sample_prep_ID=58
SUBJECT_SAMPLE_FACTORS           	-	media_3480 Min 10	Sample_group:mut_min | Genotype:rid1-knockout | Suplement:minimal	RAW_FILE_NAME=60; NMR_experiment=2; NMR_Sample_prep_ID=59
SUBJECT_SAMPLE_FACTORS           	-	media_9404 Min 5	Sample_group:wt_min | Genotype:wild-type | Suplement:minimal	RAW_FILE_NAME=61; NMR_experiment=2; NMR_Sample_prep_ID=60
#COLLECTION
CO:COLLECTION_SUMMARY            	Bacterial cells were grown in media. Each sample was centrifuged and the spent
CO:COLLECTION_SUMMARY            	media was collected as well as the pelleted bacterial cells, both flash frozen
CO:COLLECTION_SUMMARY            	in liquid nitrogen.
CO:COLLECTION_PROTOCOL_FILENAME  	Cells_NMR_AJB_12_16_2018
CO:SAMPLE_TYPE                   	Bacterial cells
CO:COLLECTION_METHOD             	Centrifuge and freeze
CO:STORAGE_CONDITIONS            	-80℃
#TREATMENT
TR:TREATMENT_SUMMARY             	Ten biologically independent wild-type and ridA mutant cultures were grown
TR:TREATMENT_SUMMARY             	overnight in NB medium shaking at 37 °C and used to inoculate (1% inoculum) 250
TR:TREATMENT_SUMMARY             	mL non-baffled flasks holding 125 mL of medium. Each culture inoculated one each
TR:TREATMENT_SUMMARY             	of the three media types (minimal medium, minimal medium with 1 mM L-isoleucine,
TR:TREATMENT_SUMMARY             	and minimal medium with 1 mM glycine), for a total of 60 flasks. Flasks were
TR:TREATMENT_SUMMARY             	randomly arranged in an Innova®44 incubator and cultures allowed to grow 16 h
TR:TREATMENT_SUMMARY             	at 37 °C, shaking at 180 RPM. Cultures were chilled 5 min on ice and then
TR:TREATMENT_SUMMARY             	harvested by centrifugation at 7,000 x G for 10 min at 4 °C. The supernatant
TR:TREATMENT_SUMMARY             	was decanted, with 10 mL transferred to sterile 15 mL conical tubes and
TR:TREATMENT_SUMMARY             	flash-frozen using liquid nitrogen for downstream analysis of external
TR:TREATMENT_SUMMARY             	metabolites. Cell pellets were transferred to sterile 15 mL conical tubes after
TR:TREATMENT_SUMMARY             	resuspension in 10 mL ddH2O, prior to a second pelleting at 7,000 x G for 10 min
TR:TREATMENT_SUMMARY             	at 4 °C. The supernatant was decanted and pellets were flash-frozen using
TR:TREATMENT_SUMMARY             	liquid nitrogen and stored at -80 °C.
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	Preparation of growth medium samples. Spent media from each bacterial culture
SP:SAMPLEPREP_SUMMARY            	was lyophilized (VirTis Benchtop K) for 48 h. Once dry, each lyophilized sample
SP:SAMPLEPREP_SUMMARY            	was reconstituted in 150 L of 100 mM sodium phosphate buffer (Cambridge
SP:SAMPLEPREP_SUMMARY            	Isotope Laboratories), pH 7.0, containing 1/3 mM DSS
SP:SAMPLEPREP_SUMMARY            	(4,4-dimethyl-4-silapentane-1-sulfonic acid, Cambridge Isotope Laboratories) as
SP:SAMPLEPREP_SUMMARY            	an internal standard. Each sample was centrifuged at 20,000 X G for 30 min and
SP:SAMPLEPREP_SUMMARY            	50 L of supernatant was transferred by a Bruker SamplePro liquid handler into
SP:SAMPLEPREP_SUMMARY            	1.7 mm SampleJet NMR tubes (Bruker Biospin). Metabolite extraction from
SP:SAMPLEPREP_SUMMARY            	bacterial pellets. Each frozen bacterial pellet was thawed on ice and 1 mL of
SP:SAMPLEPREP_SUMMARY            	ice cold 80/20 methanol/water together with approximately 200 mL of 0.7mm silica
SP:SAMPLEPREP_SUMMARY            	beads (BioSpec products). Homogenization was carried out using a FastPrep 96
SP:SAMPLEPREP_SUMMARY            	(MPBIO). The samples and extraction blanks went through three cycles of
SP:SAMPLEPREP_SUMMARY            	homogenization at 1800 rpm for 300 s each. At the end of each cycle samples and
SP:SAMPLEPREP_SUMMARY            	controls were centrifuged at 20000 x G for 30 min. Each supernatant was
SP:SAMPLEPREP_SUMMARY            	transferred to a new tube and 1 mL of ice-cold methanol/water added to the
SP:SAMPLEPREP_SUMMARY            	original tubes before each new cycle. The combined supernatants from each cycle
SP:SAMPLEPREP_SUMMARY            	were pooled and concentrated overnight using a CentriVap Benchtop Vacuum
SP:SAMPLEPREP_SUMMARY            	Concentrator (Labconco) down to 0.1 mL. The samples were then diluted with 0.5
SP:SAMPLEPREP_SUMMARY            	mL of methanol/water and transferred into 0.6 mL centrifuge tube and
SP:SAMPLEPREP_SUMMARY            	concentrated to dryness. The extracts were reconstituted in 150 uL of deuterated
SP:SAMPLEPREP_SUMMARY            	100 mM sodium phosphate buffer containing 1/3 mM of the internal standard DSS
SP:SAMPLEPREP_SUMMARY            	(d6 4,4-dimethyl-4-silapentane-1-sulfonic acid) at pH 7.0 and vortex mixed for 5
SP:SAMPLEPREP_SUMMARY            	min. Each sample was centrifuged at 20000 x G for 30 min and transferred by a
SP:SAMPLEPREP_SUMMARY            	Bruker SamplePro liquid handler into 1.7 mm SampleJet NMR tubes. Extraction
SP:SAMPLEPREP_SUMMARY            	blanks were prepared following the same procedure except the biological material
SP:SAMPLEPREP_SUMMARY            	was replaced with an equal volume of water. Solvent blanks consisted of the
SP:SAMPLEPREP_SUMMARY            	reconstituting NMR buffer (deuterated sodium phosphate buffer with DSS).
SP:PROCESSING_STORAGE_CONDITIONS 	-80℃
SP:EXTRACT_STORAGE               	-80℃
#ANALYSIS
AN:ACQUISITION_DATE              	jan-4-2019
#NMR
NM:INSTRUMENT_NAME               	600Mhz Avance III HD
NM:INSTRUMENT_TYPE               	FT-NMR
NM:NMR_EXPERIMENT_TYPE           	1D-1H
NM:SPECTROMETER_FREQUENCY        	600
NM:NMR_PROBE                     	TCI - cryo-probe
NM:NMR_SOLVENT                   	D2O
NM:NMR_TUBE_SIZE                 	1.7 mm
NM:SHIMMING_METHOD               	TopShim
NM:PULSE_SEQUENCE                	PROJECT (periodic refocusing of J evolution by coherence transfer)
NM:WATER_SUPPRESSION             	presat
NM:RECEIVER_GAIN                 	203
NM:NUMBER_OF_SCANS               	64
NM:DUMMY_SCANS                   	16
NM:ACQUISITION_TIME              	1.3107200
NM:SPECTRAL_WIDTH                	20.8 ppm
NM:NUM_DATA_POINTS_ACQUIRED      	32768
NM:LINE_BROADENING               	2
NM:APODIZATION                   	Exponential
NM:BASELINE_CORRECTION_METHOD    	Polynomial order 3
NM:CHEMICAL_SHIFT_REF_STD        	0.00 ppm
#NMR_METABOLITE_DATA
NMR_METABOLITE_DATA:UNITS	Area under the curve
NMR_METABOLITE_DATA_START
Samples	media_3480 +Gly 1	media_3480 +Gly 2	media_3480 +Gly 3	media_3480 +Gly 4	media_3480 +Gly 5	media_3480 +Gly 6	media_3480 +Gly 7	media_3480 +Gly 8	media_3480 +Gly 9	media_3480 +Gly 10	media_3480 +Ile 1	media_3480 +Ile 2	media_3480 +Ile 3	media_3480 +Ile 4	media_3480 +Ile 5	media_3480 +Ile 6	media_3480 +Ile 7	media_3480 +Ile 8	media_3480 +Ile 9	media_3480 +Ile 10	media_3480 Min 1	media_3480 Min 2	media_3480 Min 3	media_3480 Min 4	media_3480 Min 5	media_3480 Min 6	media_3480 Min 7	media_3480 Min 8	media_3480 Min 9	media_3480 Min 10	media_9404 +Gly 1	media_9404 +Gly 2	media_9404 +Gly 3	media_9404 +Gly 4	media_9404 +Gly 5	media_9404 +Gly 6	media_9404 +Gly 7	media_9404 +Gly 8	media_9404 +Gly 9	media_9404 +Gly 10	media_9404 +Ile 1	media_9404 +Ile 2	media_9404 +Ile 3	media_9404 +Ile 4	media_9404 +Ile 5	media_9404 +Ile 6	media_9404 +Ile 7	media_9404 +Ile 8	media_9404 +Ile 9	media_9404 +Ile 10	media_9404 Min 1	media_9404 Min 2	media_9404 Min 3	media_9404 Min 4	media_9404 Min 5	media_9404 Min 6	media_9404 Min 7	media_9404 Min 8	media_9404 Min 9	media_9404 Min 10	3480 +Gly 1	3480 +Gly 2	3480 +Gly 3	3480 +Gly 4	3480 +Gly 5	3480 +Gly 6	3480 +Gly 7	3480 +Gly 8	3480 +Gly 9	3480 +Gly 10	3480 +Ile 1	3480 +Ile 2	3480 +Ile 3	3480 +Ile 4	3480 +Ile 5	3480 +Ile 6	3480 +Ile 7	3480 +Ile 8	3480 +Ile 9	3480 +Ile 10	3480 Min 1	3480 Min 2	3480 Min 3	3480 Min 4	3480 Min 5	3480 Min 6	3480 Min 7	3480 Min 8	3480 Min 9	3480 Min 10	9404 +Gly 1	9404 +Gly 2	9404 +Gly 3	9404 +Gly 4	9404 +Gly 5	9404 +Gly 6	9404 +Gly 7	9404 +Gly 8	9404 +Gly 9	9404 +Gly 10	9404 +Ile 1	9404 +Ile 2	9404 +Ile 3	9404 +Ile 4	9404 +Ile 5	9404 +Ile 6	9404 +Ile 7	9404 +Ile 8	9404 +Ile 9	9404 +Ile 10	9404 Min 1	9404 Min 2	9404 Min 3	9404 Min 4	9404 Min 5	9404 Min 6	9404 Min 7	9404 Min 8	9404 Min 9	9404 Min 10
Factors	Sample_group:mut_gly | Genotype:rid1-knockout | Suplement:glycine	Sample_group:mut_gly | Genotype:rid1-knockout | Suplement:glycine	Sample_group:mut_gly | Genotype:rid1-knockout | Suplement:glycine	Sample_group:mut_gly | Genotype:rid1-knockout | Suplement:glycine	Sample_group:mut_gly | Genotype:rid1-knockout | Suplement:glycine	Sample_group:mut_gly | Genotype:rid1-knockout | Suplement:glycine	Sample_group:mut_gly | Genotype:rid1-knockout | Suplement:glycine	Sample_group:mut_gly | Genotype:rid1-knockout | Suplement:glycine	Sample_group:mut_gly | Genotype:rid1-knockout | Suplement:glycine	Sample_group:mut_gly | Genotype:rid1-knockout | Suplement:glycine	Sample_group:mut_ile | Genotype:rid1-knockout | Suplement:isoleucine	Sample_group:mut_ile | Genotype:rid1-knockout | Suplement:isoleucine	Sample_group:mut_ile | Genotype:rid1-knockout | Suplement:isoleucine	Sample_group:mut_ile | Genotype:rid1-knockout | Suplement:isoleucine	Sample_group:mut_ile | Genotype:rid1-knockout | Suplement:isoleucine	Sample_group:mut_ile | Genotype:rid1-knockout | Suplement:isoleucine	Sample_group:mut_ile | Genotype:rid1-knockout | Suplement:isoleucine	Sample_group:mut_ile | Genotype:rid1-knockout | Suplement:isoleucine	Sample_group:mut_ile | Genotype:rid1-knockout | Suplement:isoleucine	Sample_group:mut_ile | Genotype:rid1-knockout | Suplement:isoleucine	Sample_group:mut_min | Genotype:rid1-knockout | Suplement:minimal	Sample_group:mut_min | Genotype:rid1-knockout | Suplement:minimal	Sample_group:mut_min | Genotype:rid1-knockout | Suplement:minimal	Sample_group:mut_min | Genotype:rid1-knockout | Suplement:minimal	Sample_group:mut_min | Genotype:rid1-knockout | Suplement:minimal	Sample_group:mut_min | Genotype:rid1-knockout | Suplement:minimal	Sample_group:mut_min | Genotype:rid1-knockout | Suplement:minimal	Sample_group:mut_min | Genotype:rid1-knockout | Suplement:minimal	Sample_group:mut_min | Genotype:rid1-knockout | Suplement:minimal	Sample_group:mut_min | Genotype:rid1-knockout | Suplement:minimal	Sample_group:wt_gly | Genotype:wild-type | Suplement:glycine	Sample_group:wt_gly | Genotype:wild-type | Suplement:glycine	Sample_group:wt_gly | Genotype:wild-type | Suplement:glycine	Sample_group:wt_gly | Genotype:wild-type | Suplement:glycine	Sample_group:wt_gly | Genotype:wild-type | Suplement:glycine	Sample_group:wt_gly | Genotype:wild-type | Suplement:glycine	Sample_group:wt_gly | Genotype:wild-type | Suplement:glycine	Sample_group:wt_gly | Genotype:wild-type | Suplement:glycine	Sample_group:wt_gly | Genotype:wild-type | Suplement:glycine	Sample_group:wt_gly | Genotype:wild-type | Suplement:glycine	Sample_group:wt_ile | Genotype:wild-type | Suplement:isoleucine	Sample_group:wt_ile | Genotype:wild-type | Suplement:isoleucine	Sample_group:wt_ile | Genotype:wild-type | Suplement:isoleucine	Sample_group:wt_ile | Genotype:wild-type | Suplement:isoleucine	Sample_group:wt_ile | Genotype:wild-type | Suplement:isoleucine	Sample_group:wt_ile | Genotype:wild-type | Suplement:isoleucine	Sample_group:wt_ile | Genotype:wild-type | Suplement:isoleucine	Sample_group:wt_ile | Genotype:wild-type | Suplement:isoleucine	Sample_group:wt_ile | Genotype:wild-type | Suplement:isoleucine	Sample_group:wt_ile | Genotype:wild-type | Suplement:isoleucine	Sample_group:wt_min | Genotype:wild-type | Suplement:minimal	Sample_group:wt_min | Genotype:wild-type | Suplement:minimal	Sample_group:wt_min | Genotype:wild-type | Suplement:minimal	Sample_group:wt_min | Genotype:wild-type | Suplement:minimal	Sample_group:wt_min | Genotype:wild-type | Suplement:minimal	Sample_group:wt_min | Genotype:wild-type | Suplement:minimal	Sample_group:wt_min | Genotype:wild-type | Suplement:minimal	Sample_group:wt_min | Genotype:wild-type | Suplement:minimal	Sample_group:wt_min | Genotype:wild-type | Suplement:minimal	Sample_group:wt_min | Genotype:wild-type | Suplement:minimal	Sample_group:mut_gly | Genotype:rid1-knockout | Suplement:glycine	Sample_group:mut_gly | Genotype:rid1-knockout | Suplement:glycine	Sample_group:mut_gly | Genotype:rid1-knockout | Suplement:glycine	Sample_group:mut_gly | Genotype:rid1-knockout | Suplement:glycine	Sample_group:mut_gly | Genotype:rid1-knockout | Suplement:glycine	Sample_group:mut_gly | Genotype:rid1-knockout | Suplement:glycine	Sample_group:mut_gly | Genotype:rid1-knockout | Suplement:glycine	Sample_group:mut_gly | Genotype:rid1-knockout | Suplement:glycine	Sample_group:mut_gly | Genotype:rid1-knockout | Suplement:glycine	Sample_group:mut_gly | Genotype:rid1-knockout | Suplement:glycine	Sample_group:mut_ile | Genotype:rid1-knockout | Suplement:isoleucine	Sample_group:mut_ile | Genotype:rid1-knockout | Suplement:isoleucine	Sample_group:mut_ile | Genotype:rid1-knockout | Suplement:isoleucine	Sample_group:mut_ile | Genotype:rid1-knockout | Suplement:isoleucine	Sample_group:mut_ile | Genotype:rid1-knockout | Suplement:isoleucine	Sample_group:mut_ile | Genotype:rid1-knockout | Suplement:isoleucine	Sample_group:mut_ile | Genotype:rid1-knockout | Suplement:isoleucine	Sample_group:mut_ile | Genotype:rid1-knockout | Suplement:isoleucine	Sample_group:mut_ile | Genotype:rid1-knockout | Suplement:isoleucine	Sample_group:mut_ile | Genotype:rid1-knockout | Suplement:isoleucine	Sample_group:mut_min | Genotype:rid1-knockout | Suplement:minimal	Sample_group:mut_min | Genotype:rid1-knockout | Suplement:minimal	Sample_group:mut_min | Genotype:rid1-knockout | Suplement:minimal	Sample_group:mut_min | Genotype:rid1-knockout | Suplement:minimal	Sample_group:mut_min | Genotype:rid1-knockout | Suplement:minimal	Sample_group:mut_min | Genotype:rid1-knockout | Suplement:minimal	Sample_group:mut_min | Genotype:rid1-knockout | Suplement:minimal	Sample_group:mut_min | Genotype:rid1-knockout | Suplement:minimal	Sample_group:mut_min | Genotype:rid1-knockout | Suplement:minimal	Sample_group:mut_min | Genotype:rid1-knockout | Suplement:minimal	Sample_group:wt_gly | Genotype:wild-type | Suplement:glycine	Sample_group:wt_gly | Genotype:wild-type | Suplement:glycine	Sample_group:wt_gly | Genotype:wild-type | Suplement:glycine	Sample_group:wt_gly | Genotype:wild-type | Suplement:glycine	Sample_group:wt_gly | Genotype:wild-type | Suplement:glycine	Sample_group:wt_gly | Genotype:wild-type | Suplement:glycine	Sample_group:wt_gly | Genotype:wild-type | Suplement:glycine	Sample_group:wt_gly | Genotype:wild-type | Suplement:glycine	Sample_group:wt_gly | Genotype:wild-type | Suplement:glycine	Sample_group:wt_gly | Genotype:wild-type | Suplement:glycine	Sample_group:wt_ile | Genotype:wild-type | Suplement:isoleucine	Sample_group:wt_ile | Genotype:wild-type | Suplement:isoleucine	Sample_group:wt_ile | Genotype:wild-type | Suplement:isoleucine	Sample_group:wt_ile | Genotype:wild-type | Suplement:isoleucine	Sample_group:wt_ile | Genotype:wild-type | Suplement:isoleucine	Sample_group:wt_ile | Genotype:wild-type | Suplement:isoleucine	Sample_group:wt_ile | Genotype:wild-type | Suplement:isoleucine	Sample_group:wt_ile | Genotype:wild-type | Suplement:isoleucine	Sample_group:wt_ile | Genotype:wild-type | Suplement:isoleucine	Sample_group:wt_ile | Genotype:wild-type | Suplement:isoleucine	Sample_group:wt_min | Genotype:wild-type | Suplement:minimal	Sample_group:wt_min | Genotype:wild-type | Suplement:minimal	Sample_group:wt_min | Genotype:wild-type | Suplement:minimal	Sample_group:wt_min | Genotype:wild-type | Suplement:minimal	Sample_group:wt_min | Genotype:wild-type | Suplement:minimal	Sample_group:wt_min | Genotype:wild-type | Suplement:minimal	Sample_group:wt_min | Genotype:wild-type | Suplement:minimal	Sample_group:wt_min | Genotype:wild-type | Suplement:minimal	Sample_group:wt_min | Genotype:wild-type | Suplement:minimal	Sample_group:wt_min | Genotype:wild-type | Suplement:minimal
2-Aminobutyric acid	0.297957398	0.013323595	0.025356422	0.019938218	0.052922247	0.369610065	0.295512342	0.117161464	0.08741246	0.236872725	1.45E-05	2.14E-05	3.73E-05	3.82E-05	2.64E-05	2.31E-05	1.40E-05	3.77E-06	1.88E-05		0.033888249	0.005709279	2.19E-05	0.004589679	0.005899346	0.015747734	0.065452188	3.72E-05	0.002968473	2.97E-05	0.964451095	1.038456011	1.137767085	1.181689455	0.317988477	0.337063685	1.091958084	1.531214821	1.367590699	0.878071838	4.58E-05	6.14E-05	0.000483642	1.80E-05	8.46E-06	3.24E-05	5.81E-05	1.96E-05	1.70E-05	1.69E-05	0.490410023	0.195767404	0.659742091	0.19506489	0.497895849	0.150346057	0.226764449	0.21701953	0.149063541	0.161291243																																																												
2-Isopropylmalic acid	0.324663617	0.377589486	0.354580298	0.279860688	0.731932693	0.297146099	0.306059519	0.869714564	0.288908149	0.300120019	0.028635031	0.038790134	0.004799573	0.099952402	0.123336629	0.054241555	0.025479362	0.013838311	0.042772606		0.371319794	0.3633998	0.613418605	0.511885338	0.666590071	0.345267241	0.449481573	0.575956596	0.654235523	0.547360731	0.342142979	0.312366475	0.166497305	0.165881565	0.330354076	0.474357831	0.242030574	0.204287556	0.223626544	0.241786421	0.046991587	0.079685517	0.032191568	0.034135919	0.14112428	0.030866184	0.036023882	0.034657208	0.025623512	0.026014552	0.190684951	0.208574627	0.191757652	0.225206539	0.115924351	0.423964819	0.245935422	0.168028067	0.217838163	0.165176928																																																												
Acetic acid	30.61845184	42.35326766	59.19456684	41.01052398	61.44990763	17.30840661	31.59261446	47.33593239	51.39001913	31.38080139	31.69166992	23.12937224	28.91420276	50.2940284	36.58701008	14.41516752	41.63948166	1.674033089	45.72178418		34.88521698	38.44147212	43.68617423	32.36437801	34.88848043	46.28301671	36.52149652	54.3361063	42.03145575	61.34799905	32.41185322	31.68342889	21.22528719	16.22312112	62.25268313	60.67093429	20.40481531	11.829043	22.39674999	43.31953605	13.583113	41.41681222	1.928095615	16.42376054	12.60633543	29.29371841	48.63820542	34.3446542	47.74329355	29.17344713	24.14623943	53.55965286	30.92390838	43.61200244	16.56004308	50.48037772	66.54143436	52.65463165	45.71585042	40.83716044	0.689298998	0.998944705	1.711598692	1.195530323	0.961907364	0.759765003	1.043857946	0.942921999	1.10407703	0.77171618	1.257637521	1.533487924	1.286595285	1.239095734	1.389298416	0.766246899	1.213685019	0.453610564	1.020935818	1.302295164	0.573550223	0.649379828	0.511323803	0.378535972	0.844220245	1.184350223	0.397404189	0.756448624	0.794711057	0.822429106	0.848847854	0.799859019	0.838316592	0.848575154	1.452704708	1.24156467	0.830326184	0.668653994	0.643045446	0.929629519	0.52745093	1.76323288	0.379911396	0.694522719	0.696127511	0.956898977	1.144287288	0.932294366	0.907682207	0.738736939	0.664837855	0.838092341	0.799433159	1.336679619	0.654448719	1.626033412	0.826651776	1.182733507	1.351739555	0.980331993
Acetylphosphate	0.051198696	0.040314816	0.046155097	0.045749883	0.041379909	0.042378034	0.046148331	0.04233562	0.039641816	0.051473331	0.041343511	0.036945554	0.042873206	0.04646402	0.048147532	0.040423354	0.047953047	0.04666486	0.0455462		0.04526882	0.040255865	0.061078027	0.054277186	0.061323111	0.051939441	0.055931476	0.056336939	0.057064681	0.05730683	0.047786363	0.047365541	0.044588773	0.039800928	0.037245367	0.037546325	0.047586377	0.020015412	0.044737253	0.045198938	0.055424401	0.042342276	0.225892357	0.051000127	0.179482118	0.053593252	0.044071985	0.048346994	0.0520083	0.048009701	0.042176713	0.040411284	0.043564806	0.038529389	0.043173237	0.028013427	0.042097685	0.045244714	0.038430748	0.037132071																																																												
Alanine																																																													0.345569776	0.398631052	0.429378505	0.417131241	0.426320431	0.4522677	0.382044879	0.550650167	0.38659447	0.392257332	0.300002798	0.204422994	0.421997842	0.360125962	0.307906682	0.272145246	0.299789255	0.29043831	0.222430316	0.181710226	0.304388776	0.363858535	0.262220608	0.293880004	0.310610278	0.326406809	0.335849828	0.24483209	0.380547344	0.217305856	0.266000332	0.338332641	0.48680301	0.477737106	0.437087548	0.242594528	0.206174659	0.244656941	0.206013346	0.267281922	0.274374679	0.431678384	0.371761314	0.431422464	0.497369134	0.271228015	0.229093394	0.324159812	0.184254685	0.217716094	0.141499206	0.141927376	0.291977322	0.367279169	0.196217508	0.323854837	0.15254231	0.178271193	0.177467301	0.172456852
Coenzyme A																																																													0.234193995	0.203895245	0.203988188	0.129974186	0.211160953	0.247711775	0.148540675	0.129910943	0.179952104	0.209425178	0.450278521	0.307529427	0.302119116	0.243991819	0.268498212	0.142984768	0.09097557	0.054047325	0.359504472	0.257846272	0.195483924	0.120303897	0.22399525	0.22685439	0.209368105	0.156332272	0.228693132	0.148290307	0.183055499	0.199275023	0.277607043	0.352002951	0.194205199	0.310164832	0.18762197	0.216364613	0.234899168	0.188259674	0.237305489	0.296476007	0.246460207	0.10389609	0.17070467	0.29186999	0.149662221	0.192314732	0.198201665	0.116709107	0.282608289	0.242185203	0.32032408	0.290499418	0.436435176	0.250716922	0.29403013	0.229018399	0.331479601	0.274587036	0.296541035	0.330064778
Ethanolamine																																																													0.149270393	0.133635765	0.138663794	0.157411689	0.128553824	0.159979325	0.139180649	0.13710346	0.13252756	0.148046755	0.14435264	0.138925205	0.161873954	0.165813929	0.146958755	0.148315656	0.160809025	0.14799778	0.163568425	0.137516475	0.10301982	0.116230288	0.117220165	0.104279145	0.104206291	0.121943143	0.111437216	0.101312201	0.088463417	0.133623864	0.123879962	0.114343735	0.185982861	0.125559759	0.133374091	0.112693163	0.124543868	0.132445495	0.149992086	0.170509447	0.147812631	0.139254983	0.13900309	0.143175254	0.119855275	0.11890827	0.131252573	0.157869897	0.179166696	0.170897817	0.125051647	0.1651356	0.143772116	0.159879193	0.131687641	0.155184715	0.151260343	0.124966219	0.145863242	0.141565054
Formic acid	32.80254413	41.01222803	39.19782044	27.8037195	24.89905595	37.26037719	39.92974228	20.54101423	40.34826782	40.52519556	37.85411226	28.49703076	30.6057952	30.41571599	32.36815343	34.01760808	37.41983346	35.14080996	34.44786002		15.79736269	15.3169048	11.38180359	8.237652885	8.991561395	28.13614559	16.26879174	10.83889009	9.357963463	16.47707691	35.80811857	39.13982737	36.90354718	29.79966859	37.38494325	31.0174473	32.54788666	24.76657925	38.50596176	43.23753832	32.03045611	35.90157899	4.596203926	31.83938003	16.66356761	42.46780958	43.37047067	32.68397019	34.39788819	32.58854444	35.0762291	41.94948932	40.46115938	33.62445194	39.33044646	32.99111491	49.23369099	45.11324794	35.79090235	34.53572504	0.07846546	0.203765071	0.264905736	0.141220314	0.108029288	0.069350173	0.226320374	0.106857588	0.240116978	0.120844702	0.159089474	0.251486209	0.21947491	0.151387922	0.235701072	0.283167081	0.417789657	0.191270848	0.305203852	0.269830863	0.034058299	0.062470673	0.026609509	0.011168673	0.065526069	0.13242614	0.054685409	0.053047656	0.039252199	0.088924221	0.144030601	0.117927466	0.181267577	0.004542328	0.31611402	0.359821101	0.152704428	0.155534189	0.18060343	0.230338677	0.007891804	0.323354172	0.0349254	0.023886072	0.076242711	0.298485215	0.343685011	0.206967761	0.2467135	0.174732993	0.132885999	0.163879754	0.166131776	0.169511576	0.209413551	0.219407821	0.182572429	0.349266205	0.391509988	0.175396429
Glutamic acid																																																													0.804313451	0.312526831	0.623970297	0.652707158	0.569430989	0.905412658	0.740588645	1.205697904	0.801510856	0.74568765	0.513549507	0.384896022	0.408349226	0.599365436	0.548944115	0.644504694	0.396723144	0.191951426	0.697575684	0.441984638	0.550315269	0.654333346	0.617022702	0.630898672	0.989853409	0.855786242	0.701872624	0.856029588	1.129816755	0.484127243	0.409033657	0.728984227	0.698335589	0.708675719	0.704434439	0.781389632	0.874001347	0.77607129	0.632566878	0.907580982	0.324460203	0.531897604	0.375169724	0.726961534	0.730617718	0.622414736	0.476097822	0.543539587	0.377681021	0.505273043	0.325670456	0.355633544	0.663808892	0.540482954	0.525766887	0.703006146	0.546476485	0.551431285	0.665040988	0.189377874
Glutamine																																																													0.083911113	0.220861584	0.093198647	0.056697131	0.328945939	0.0628723	0.052027527	0.113884826	0.04479602	0.10079541	0.082529203	0.131233378	0.048194077	0.069796305	0.064750649	0.081890346	0.040371771	0.056518979	0.045815518	0.056978375	0.294919056	0.090066142	0.339932468	0.094439644	0.079215175	0.064306873	0.270258499	0.157276485	0.075238365	0.435703777	0.249374252	0.086575247	0.066434171	0.195852898	0.069217739	0.071808663	0.061019125	0.051857448	0.067060959	0.075960566	0.088154529	0.053474763	0.041418959	0.065901578	0.072884781	0.056944572	0.062757114	0.04166151	0.086332963	0.078768983	0.091116518	0.117654937	0.116027871	0.070070893	0.079108898	0.063304004	0.063683447	0.040300838	0.047648677	0.102758174
Isoleucine											1.720142061	1.900399419	2.257886502	1.691192345	1.703252936	1.658969271	1.975156015	1.971519547	1.847446236																						2.034129518	1.795557063	1.735574659	1.739566438	1.497040996	2.052876246	1.956204043	1.804123811	1.874793827	1.917579527																																																																						
Lactic acid	0.151948214	0.127267494	0.138441333	0.119662235	0.187773797	0.14681175	0.162634818	0.186585828	0.133074741	0.132205293	0.10801439	0.146281975	0.067269847	0.153988076	0.159349616	0.112946005	0.090661711	0.072463863	0.098339127		0.241904809	0.248889113	0.280062958	0.310959376	0.282945832	0.251320741	0.298121699	0.263103643	0.300359053	0.258293396	0.089048425	0.078390837	0.062349596	0.063846073	0.085515024	0.098848042	0.054845425	0.052332933	0.061407095	0.0703168	0.140661676	0.110183797	0.095443395	0.110978849	0.142840738	0.094638248	0.113390329	0.097375436	0.076957838	0.098494779	0.094988937	0.126589943	0.104996192	0.1713936	0.088866191	0.256666219	0.167255322	0.093100765	0.124962235	0.109801525																																																												
N-Acetylputrescine																																																													0.097240576	0.02850293	0.063699838	0.05252473	0.164412771	0.081515076	0.061791318	0.154028674	0.057142618	0.071663705	0.082625133	0.054420848	0.048420805	0.054173728	0.118874987	0.091555559	0.030784591	0.049783809	0.078912699	0.042535319	0.107258522	0.117258918	0.170267269	0.172727983	0.179972521	0.062290765	0.085714186	0.163022289	0.179045455	0.140224764	0.059169711	0.113729891	0.100496056	0.096989317	0.065425534	0.101772073	0.098424763	0.074137085	0.092068098	0.066662965	0.072969282	0.060761221	0.194590511	0.080677865	0.17998118	0.047097342	0.04185619	0.077602297	0.058039449	0.065690383	0.072006799	0.077077371	0.102936446	0.082732494	0.07986503	0.078858873	0.071889305	0.061309766	0.054762551	0.036786745
Nicotinic acid																																																													0.041040618	0.034287866	0.030531202	0.028830785	0.040633997	0.023897993	0.024278406	0.023882589	0.020350297	0.019612955	0.034461919	0.027821703	0.027169862	0.031304798	0.039167522	0.026112846	0.014942585	0.016188355	0.015273441	0.018091391	0.038522508	0.033842084	0.0454183	0.043587035	0.037958156	0.026011	0.021067026	0.03960245	0.030013896	0.024705425	0.042142935	0.034730098	0.03903963	0.032705202	0.031179256	0.017724209	0.023058463	0.023401161	0.019401554	0.020748003	0.032766668	0.028734851	0.042342877	0.033398584	0.037314206	0.017919278	0.013338282	0.026491521	0.017742803	0.016485931	0.039842659	0.027488452	0.030419311	0.035076898	0.031667707	0.037980223	0.019730675	0.018803319	0.015711639	0.020653171
Phenylalanine																																																													0.020224235	0.021152319	0.025770169	0.032237098	0.052848771	0.028991215	0.027558528	0.069955617	0.028997411	0.026597085	0.019787904	0.018882012	0.020292571	0.030737656	0.026521643	0.029304016	0.028869187	0.052727362	0.02713204	0.021647819	0.023446167	0.037839722	0.038622877	0.024471151	0.045654778	0.037772376	0.031548978	0.04866267	0.047502886	0.050546041	0.013862397	0.025659474	0.03128393	0.022085207	0.033097867	0.030037741	0.032571593	0.027221863	0.019865278	0.023066174	0.018821895	0.034950589	0.081977813	0.022612317	0.04717337	0.026852186	0.02581577	0.035238079	0.034472959	0.023062577	0.012738726	0.026115727	0.01655141	0.026661893	0.01145431	0.027016693	0.019481771	0.024639963	0.0248704	0.021381366
Putrescine	0.584917615	0.397556908	0.448615534	0.315720104	0.658318881	0.578563549	0.651775951	0.860240956	0.427058119	0.45485034	0.414903846	0.376654465	0.375630544	0.306396202	0.442305534	0.418977951	0.428364522	0.362900634	0.360105394		0.718397086	0.609867047	0.927047906	0.63062043	0.934062876	0.535698666	0.849415982	0.980360773	0.934431224	0.76644577	0.56444868	0.522198172	0.488854817	0.657227729	0.441969397	0.440463106	0.378525518	0.561241606	0.552037846	0.433752574	0.372894883	0.402735352	0.152480724	0.419488295	0.484837503	0.395637012	0.417659885	0.353640733	0.338493247	0.339560502	0.546671687	0.571862904	0.617336569	0.556612538	0.594474358	0.523654842	0.574518028	0.554395715	0.421369664	0.480864424	0.972969852	1.155337662	1.205826477	0.658939625	0.983389347	0.569300479	0.780813832	0.273660451	0.681919421	0.555198131	1.264746277	1.331618213	1.228007065	0.907802715	1.033703365	0.752370352	0.495771506	0.503304912	0.797371342	0.694391504	0.887731724	0.465846752	0.855046806	0.710212129	0.51603274	0.420792781	0.647002568	0.728710244	0.312052974	0.385452376	1.045585521	0.785324466	0.98591617	1.041667961	0.722913072	0.524145486	0.636365863	0.627114724	0.679636021	0.680930255	1.059431625	1.115012154	0.882758765	1.228539671	0.447255812	0.502271496	0.560353297	0.511753508	0.617549944	0.587004024	1.057705286	0.619822336	1.209823488	0.926258714	1.161845827	1.366501467	0.571302145	0.713763797	0.849504219	0.736591146
Pyruvic acid																																																													0.029488377	0.014877046	0.024867016	0.03247213	0.020632456	0.040521187	0.055589095	0.082913003	0.034078823	0.033036954	0.028912674	0.024539547	0.026050992	0.03183629	0.026210604	0.038193934	0.027813112	0.007873017	0.047677002	0.027297689	0.022292762	0.041497444	0.019463186	0.017360836	0.056904914	0.047749409	0.040585875	0.043579426	0.053730791	0.02930205	0.021177849	0.043768233	0.041327833	0.040171222	0.040492912	0.053923771	0.064095826	0.065129119	0.040205124	0.046325529	0.016806831	0.027635557	0.018351288	0.033222881	0.035872208	0.037418186	0.029889487	0.030040847	0.027826574	0.025696821	0.017813733	0.025966217	0.030931729	0.029614071	0.030222611	0.023702793	0.02938603	0.042062398	0.036509605	0.018019809
Succinic acid																																																													0.131594506	0.150968264	0.142110835	0.045520687	0.168445763	0.03864765	0.076923798	0.042521766	0.046816823	0.043968377	0.087323858	0.173171247	0.101626094	0.06532239	0.148953741	0.033674212	0.043110526	0.077295404	0.015077292	0.048190097	0.395965797	0.088126047	0.182430855	0.151659909	0.032855802	0.030442411	0.046143362	0.1727137	0.021998394	0.083076184	0.132856797	0.122235286	0.035711166	0.218463411	0.090374507	0.031356245	0.019306313	0.038059607	0.051948638	0.027043128	0.106511606	0.053769231	0.047211448	0.125602366	0.059189489	0.022141605	0.020766304	0.053555274	0.054120279	0.04775146	0.134186811	0.066399044	0.114432196	0.030776094	0.145676102	0.193257532	0.059503968	0.018514633	0.0111008	0.060815585
Threonine																																																													0.24991841	0.101281623	0.172956785	0.253293009	0.087471562	0.314518621	0.348611195	0.269979219	0.251750688	0.244180108	0.181893236	0.145617332	0.237434268	0.187963005	0.179375872	0.246943157	0.307398514	0.251002919	0.18823496	0.186506142	0.302462982	0.693696354	0.328153426	0.622931252	0.596393786	0.3241309	0.361719818	0.596204295	0.632052207	0.39869596	0.1232145	0.16094049	0.228625928	0.312101062	0.162230666	0.146283088	0.175415709	0.212652765	0.173524091	0.155517707	0.128464744	0.262118152	0.131259482	0.164572392	0.358337485	0.25551056	0.237429559	0.291132738	0.199795792	0.239294031	0.120256181	0.16730904	0.14056662	0.169404242	0.16632207	0.123477479	0.152219229	0.181340702	0.164288702	0.167990377
Uracil	0.124123416	0.07635335	0.088525298	0.101608177	0.060676937	0.136294648	0.111895323	0.05530017	0.088410176	0.109900764	0.104561815	0.112811315	0.125453708	0.081008166	0.090241214	0.098898762	0.114639719	0.112423956	0.089637948		0.050590427	0.043653486	0.038682035	0.039078036	0.040986219	0.063535682	0.055864719	0.041648768	0.038414037	0.049713001	0.142644521	0.142187527	0.140201559	0.140350199	0.10559131	0.105426189	0.141639146	0.161938329	0.167851039	0.139566258	0.049600252	0.086063419	0.055515451	0.064906087	0.061882371	0.092174111	0.089995339	0.092220356	0.090449137	0.099409839	0.156746438	0.137020128	0.163318786	0.139166386	0.18391826	0.107848748	0.10549603	0.169941332	0.136683912	0.146547088	0.157537999	0.110137548	0.164403258	0.261220195	0.123056863	0.218904337	0.254266061	0.232800984	0.203932174	0.160702885	0.161947657	0.118959834	0.174570032	0.192998304	0.190095455	0.274381794	0.302928103	0.210504498	0.21447637	0.178601991	0.13617834	0.30895137	0.148649488	0.151095071	0.296400895	0.262441466	0.134213499	0.267321713	0.302783419	0.15456784	0.118939949	0.181408068	0.206892589	0.168345632	0.249452549	0.232397506	0.239077356	0.23790308	0.141390365	0.160082455	0.138231306	0.249958624	0.189142904	0.170632864	0.30288725	0.235207605	0.250083663	0.304128804	0.153987406	0.155025887	0.098006055	0.148556575	0.137254334	0.170103783	0.126804055	0.161774626	0.171593542	0.237608741	0.241469976	0.196708179
Valine	1.537948181	2.213755963	2.421228727	2.45319595	2.387036652	1.51588675	1.415515569	2.446306373	1.664994258	1.636537721	0.670752472	1.101424323	0.697892987	1.386116696	1.020852398	0.500654412	0.808872915	0.403535164	0.822256844		4.884353195	5.177008516	6.546082248	4.737694047	6.051885589	6.5462722	6.071306046	6.902147599	6.6869387	7.578819819	1.737413101	1.40294729	0.796049621	0.547509471	2.095261332	2.071182225	1.263345535	1.170921319	1.098234015	1.460812837	0.735608321	1.386535644	0.197533048	0.570696903	1.181392899	0.819611766	1.254214152	0.935687889	1.112418966	1.084278153	1.173613989	1.290272566	0.775730016	1.461679701	0.656556982	1.794913902	1.283685077	1.248829483	1.150550157	1.470920201	0.203903384	0.125209301	0.235826872	0.326546165	0.231020546	0.22813545	0.256817936	0.556738214	0.223355994	0.197531379	0.075644377	0.038497778	0.084563318	0.071298175	0.039391682	0.111128914	0.143942948	0.118169999	0.083615414	0.048512398	0.383147525	0.584071917	0.461126534	0.296238271	0.638227853	0.48382468	0.429354745	0.729917624	0.581596137	0.588399069	0.11405544	0.189738549	0.199132381	0.141564827	0.315367189	0.298072421	0.235742335	0.193926275	0.132513774	0.195834284	0.022065277	0.133668645	0.076366822	0.05798463	0.122466737	0.086271329	0.103262376	0.117135238	0.053073713	0.052616737	0.078830546	0.140746587	0.134674199	0.216158575	0.098298317	0.21362473	0.12992279	0.201831341	0.207906746	0.071281487
NMR_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	Formula	Mass	REGNO
2-Aminobutyric acid	C4H9NO2	103.0633
2-Isopropylmalic acid	C7H12O5	176.0685	2004
Acetic acid	C2H4O2	60.0211	24
Acetylphosphate	C2H5O5P	139.9875	37827
Alanine	C3H7NO2	89.0477	37109
Coenzyme A	C21H36N7O16P3S	767.1152	50040
Ethanolamine	C2H7NO	61.0528	37102
Formic acid	CH2O2	46.0055	37099
Glutamic acid	C5H9NO4	147.0532	37101
Glutamine	C5H10N2O3	146.0691	37346
Isoleucine	C6H13NO2	131.0946	1871
Lactic acid	C3H6O3	90.0317	37125
N-Acetylputrescine	C6H14N2O	130.1106	38003
Nicotinic acid	C6H5NO2	123.032	37821
Phenylalanine	C9H11NO2	165.079	37108
Putrescine	C4H12N2	88.1	37784
Pyruvic acid	C3H4O3	88.016	1584
Succinic acid	C4H6O4	118.0266	1966
Threonine	C4H9NO3	119.0582	37113
Uracil	C4H4N2O2	112.0273	37192
Valine	C5H11NO2	117.079	37484
METABOLITES_END
#END