#METABOLOMICS WORKBENCH deshpa11_20231218_091551 DATATRACK_ID:4536 STUDY_ID:ST003035 ANALYSIS_ID:AN004976 PROJECT_ID:PR001888
VERSION             	1
CREATED_ON             	January 5, 2024, 2:55 pm
#PROJECT
PR:PROJECT_TITLE                 	Central Transcriptional Regulator Controls Growth and Carbon Storage under High
PR:PROJECT_TITLE                 	Light Stress in Photosynthetic Microalgae Model Strains
PR:PROJECT_TYPE                  	Life Sciences
PR:PROJECT_SUMMARY               	Carbon capture efficiency and biochemical storage are some of the primary
PR:PROJECT_SUMMARY               	drivers of photosynthetic productivity and by extension crop yield. To elucidate
PR:PROJECT_SUMMARY               	the mechanisms governing yield phenotypes and carbon allocation regulatory
PR:PROJECT_SUMMARY               	elements, we selected two microalgae strains as simplified models of
PR:PROJECT_SUMMARY               	photosynthetic crops. The Picochlorum celeri TG2 isolate is one of the fastest
PR:PROJECT_SUMMARY               	growing algae and in this work is juxtaposed to a closely related, slower
PR:PROJECT_SUMMARY               	growing, isolate, TG1, of the same species with less than 2% genomic divergence.
PR:PROJECT_SUMMARY               	Through the application of a comprehensive systems biology light-stress response
PR:PROJECT_SUMMARY               	study, we observed a stark difference in carbon assimilation and storage rates,
PR:PROJECT_SUMMARY               	with the slower growing isolate accumulating almost three times the amount of
PR:PROJECT_SUMMARY               	starch compared to the fast-growing isolate. We characterized the carbon storage
PR:PROJECT_SUMMARY               	rates and allocation dynamics, with metabolic bottlenecks, and transport rates
PR:PROJECT_SUMMARY               	of intermediates underlying the variations in growth and composition in high
PR:PROJECT_SUMMARY               	light using instationary 13C-fluxomics experiments. High light stress analysis
PR:PROJECT_SUMMARY               	of transcriptomic dynamics during acclimation of the strains from low to high
PR:PROJECT_SUMMARY               	light identified a widespread response with up to 73% the annotated gene set
PR:PROJECT_SUMMARY               	significantly differentially expressed after only 1 hour. Broad transcriptional
PR:PROJECT_SUMMARY               	regulatory control was inferred by a rapid depletion of a global diel-responsive
PR:PROJECT_SUMMARY               	transcription factor closely related to a circadian-regulator in plants, as the
PR:PROJECT_SUMMARY               	single most distinct transcription factor. Transferring this factor to the
PR:PROJECT_SUMMARY               	slower variant increased yield, specific growth rate, and carbohydrate
PR:PROJECT_SUMMARY               	accumulation of the selected engineered strain, providing further evidence for a
PR:PROJECT_SUMMARY               	coordinating regulatory mechanism for this complex phenotype.
PR:INSTITUTE                     	National Renewable Energy Lab
PR:DEPARTMENT                    	Biosciences
PR:LABORATORY                    	Laurens Lab
PR:LAST_NAME                     	Laurens
PR:FIRST_NAME                    	Lieve
PR:ADDRESS                       	15013 Denver West Parkway, Golden, Colorado, 80401, USA
PR:EMAIL                         	lieve.laurens@nrel.gov
PR:PHONE                         	+1 720-273-6534
PR:FUNDING_SOURCE                	This work was financially supported by a collaborative research and development
PR:FUNDING_SOURCE                	agreement with ExxonMobil Technology and Engineering Co. (EMTEC)
PR:CONTRIBUTORS                  	Steichen, S, Deshpande, A., Mosey, M., Loob, J., Douchi, D., Knoshaug, E.P.,
PR:CONTRIBUTORS                  	Brown, S, Nielsen, R., Weissman, J., Carrillo, L.R., Laurens, L.M.L.
#STUDY
ST:STUDY_TITLE                   	Central Transcriptional Regulator Controls Growth and Carbon Storage under High
ST:STUDY_TITLE                   	Light Stress in Photosynthetic Microalgae Model Strains
ST:STUDY_TYPE                    	Algae
ST:STUDY_SUMMARY                 	Carbon capture efficiency and biochemical storage are some of the primary
ST:STUDY_SUMMARY                 	drivers of photosynthetic productivity and by extension crop yield. To elucidate
ST:STUDY_SUMMARY                 	the mechanisms governing yield phenotypes and carbon allocation regulatory
ST:STUDY_SUMMARY                 	elements, we selected two microalgae strains as simplified models of
ST:STUDY_SUMMARY                 	photosynthetic crops. The Picochlorum celeri TG2 isolate is one of the fastest
ST:STUDY_SUMMARY                 	growing algae and in this work is juxtaposed to a closely related, slower
ST:STUDY_SUMMARY                 	growing, isolate, TG1, of the same species with less than 2% genomic divergence.
ST:STUDY_SUMMARY                 	Through the application of a comprehensive systems biology light-stress response
ST:STUDY_SUMMARY                 	study, we observed a stark difference in carbon assimilation and storage rates,
ST:STUDY_SUMMARY                 	with the slower growing isolate accumulating almost three times the amount of
ST:STUDY_SUMMARY                 	starch compared to the fast-growing isolate. We characterized the carbon storage
ST:STUDY_SUMMARY                 	rates and allocation dynamics, with metabolic bottlenecks, and transport rates
ST:STUDY_SUMMARY                 	of intermediates underlying the variations in growth and composition in high
ST:STUDY_SUMMARY                 	light using instationary 13C-fluxomics experiments. High light stress analysis
ST:STUDY_SUMMARY                 	of transcriptomic dynamics during acclimation of the strains from low to high
ST:STUDY_SUMMARY                 	light identified a widespread response with up to 73% the annotated gene set
ST:STUDY_SUMMARY                 	significantly differentially expressed after only 1 hour. Broad transcriptional
ST:STUDY_SUMMARY                 	regulatory control was inferred by a rapid depletion of a global diel-responsive
ST:STUDY_SUMMARY                 	transcription factor closely related to a circadian-regulator in plants, as the
ST:STUDY_SUMMARY                 	single most distinct transcription factor. Transferring this factor to the
ST:STUDY_SUMMARY                 	slower variant increased yield, specific growth rate, and carbohydrate
ST:STUDY_SUMMARY                 	accumulation of the selected engineered strain, providing further evidence for a
ST:STUDY_SUMMARY                 	coordinating regulatory mechanism for this complex phenotype.
ST:INSTITUTE                     	National Renewable Energy Lab
ST:DEPARTMENT                    	Biosciences
ST:LABORATORY                    	Laurens Lab
ST:LAST_NAME                     	Laurens
ST:FIRST_NAME                    	Lieve
ST:ADDRESS                       	15013 Denver West Paekway, Golden, CO 80401
ST:EMAIL                         	lieve.laurens@nrel.gov
ST:PHONE                         	+1 720-273-6534
#SUBJECT
SU:SUBJECT_TYPE                  	Plant
SU:SUBJECT_SPECIES               	Picochlorum celeri
#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           	-	TG2_R1_0	Strain:TG2 | Time (s):0 (no label)	Replicate=1; RAW_FILE_NAME=TG2_R1_0.mzml
SUBJECT_SAMPLE_FACTORS           	-	TG2_R1_30	Strain:TG2 | Time (s):30	Replicate=1; RAW_FILE_NAME=TG2_R1_30.mzml
SUBJECT_SAMPLE_FACTORS           	-	TG2_R1_60	Strain:TG2 | Time (s):60	Replicate=1; RAW_FILE_NAME=TG2_R1_60.mzml
SUBJECT_SAMPLE_FACTORS           	-	TG2_R1_180	Strain:TG2 | Time (s):180	Replicate=1; RAW_FILE_NAME=TG2_R1_180.mzml
SUBJECT_SAMPLE_FACTORS           	-	TG2_R1_300	Strain:TG2 | Time (s):300	Replicate=1; RAW_FILE_NAME=TG2_R1_300.mzml
SUBJECT_SAMPLE_FACTORS           	-	TG2_R1_600	Strain:TG2 | Time (s):600	Replicate=1; RAW_FILE_NAME=TG2_R1_600.mzml
SUBJECT_SAMPLE_FACTORS           	-	TG2_R2_0	Strain:TG2 | Time (s):0 (no label)	Replicate=2; RAW_FILE_NAME=TG2_R2_0.mzml
SUBJECT_SAMPLE_FACTORS           	-	TG2_R2_30	Strain:TG2 | Time (s):30	Replicate=2; RAW_FILE_NAME=TG2_R2_30.mzml
SUBJECT_SAMPLE_FACTORS           	-	TG2_R2_60	Strain:TG2 | Time (s):60	Replicate=2; RAW_FILE_NAME=TG2_R2_60.mzml
SUBJECT_SAMPLE_FACTORS           	-	TG2_R2_180	Strain:TG2 | Time (s):180	Replicate=2; RAW_FILE_NAME=TG2_R2_180.mzml
SUBJECT_SAMPLE_FACTORS           	-	TG2_R2_300	Strain:TG2 | Time (s):300	Replicate=2; RAW_FILE_NAME=TG2_R2_300.mzml
SUBJECT_SAMPLE_FACTORS           	-	TG2_R2_600	Strain:TG2 | Time (s):600	Replicate=2; RAW_FILE_NAME=TG2_R2_600.mzml
SUBJECT_SAMPLE_FACTORS           	-	TG2_R3_0	Strain:TG2 | Time (s):0 (no label)	Replicate=3; RAW_FILE_NAME=TG2_R3_0.mzml
SUBJECT_SAMPLE_FACTORS           	-	TG2_R3_30	Strain:TG2 | Time (s):30	Replicate=3; RAW_FILE_NAME=TG2_R3_30.mzml
SUBJECT_SAMPLE_FACTORS           	-	TG2_R3_60	Strain:TG2 | Time (s):60	Replicate=3; RAW_FILE_NAME=TG2_R3_60.mzml
SUBJECT_SAMPLE_FACTORS           	-	TG2_R3_180	Strain:TG2 | Time (s):180	Replicate=3; RAW_FILE_NAME=TG2_R3_180.mzml
SUBJECT_SAMPLE_FACTORS           	-	TG2_R3_300	Strain:TG2 | Time (s):300	Replicate=3; RAW_FILE_NAME=TG2_R3_300.mzml
SUBJECT_SAMPLE_FACTORS           	-	TG2_R3_600	Strain:TG2 | Time (s):600	Replicate=3; RAW_FILE_NAME=TG2_R3_600.mzml
SUBJECT_SAMPLE_FACTORS           	-	TG1_R1_0	Strain:TG1 | Time (s):0 (no label)	Replicate=1; RAW_FILE_NAME=TG1_R1_0.mzml
SUBJECT_SAMPLE_FACTORS           	-	TG1_R1_30	Strain:TG1 | Time (s):30	Replicate=1; RAW_FILE_NAME=TG1_R1_30.mzml
SUBJECT_SAMPLE_FACTORS           	-	TG1_R1_60	Strain:TG1 | Time (s):60	Replicate=1; RAW_FILE_NAME=TG1_R1_60.mzml
SUBJECT_SAMPLE_FACTORS           	-	TG1_R1_180	Strain:TG1 | Time (s):180	Replicate=1; RAW_FILE_NAME=TG1_R1_180.mzml
SUBJECT_SAMPLE_FACTORS           	-	TG1_R1_300	Strain:TG1 | Time (s):300	Replicate=1; RAW_FILE_NAME=TG1_R1_300.mzml
SUBJECT_SAMPLE_FACTORS           	-	TG1_R1_600	Strain:TG1 | Time (s):600	Replicate=1; RAW_FILE_NAME=TG1_R1_600.mzml
SUBJECT_SAMPLE_FACTORS           	-	TG1_R2_0	Strain:TG1 | Time (s):0 (no label)	Replicate=2; RAW_FILE_NAME=TG1_R2_0.mzml
SUBJECT_SAMPLE_FACTORS           	-	TG1_R2_30	Strain:TG1 | Time (s):30	Replicate=2; RAW_FILE_NAME=TG1_R2_30.mzml
SUBJECT_SAMPLE_FACTORS           	-	TG1_R2_60	Strain:TG1 | Time (s):60	Replicate=2; RAW_FILE_NAME=TG1_R2_60.mzml
SUBJECT_SAMPLE_FACTORS           	-	TG1_R2_180	Strain:TG1 | Time (s):180	Replicate=2; RAW_FILE_NAME=TG1_R2_180.mzml
SUBJECT_SAMPLE_FACTORS           	-	TG1_R2_300	Strain:TG1 | Time (s):300	Replicate=2; RAW_FILE_NAME=TG1_R2_300.mzml
SUBJECT_SAMPLE_FACTORS           	-	TG1_R2_600	Strain:TG1 | Time (s):600	Replicate=2; RAW_FILE_NAME=TG1_R2_600.mzml
SUBJECT_SAMPLE_FACTORS           	-	TG1_R3_0	Strain:TG1 | Time (s):0 (no label)	Replicate=3; RAW_FILE_NAME=TG1_R3_0.mzml
SUBJECT_SAMPLE_FACTORS           	-	TG1_R3_30	Strain:TG1 | Time (s):30	Replicate=3; RAW_FILE_NAME=TG1_R3_30.mzml
SUBJECT_SAMPLE_FACTORS           	-	TG1_R3_60	Strain:TG1 | Time (s):60	Replicate=3; RAW_FILE_NAME=TG1_R3_60.mzml
SUBJECT_SAMPLE_FACTORS           	-	TG1_R3_180	Strain:TG1 | Time (s):180	Replicate=3; RAW_FILE_NAME=TG1_R3_180.mzml
SUBJECT_SAMPLE_FACTORS           	-	TG1_R3_300	Strain:TG1 | Time (s):300	Replicate=3; RAW_FILE_NAME=TG1_R3_300.mzml
SUBJECT_SAMPLE_FACTORS           	-	TG1_R3_600	Strain:TG1 | Time (s):600	Replicate=3; RAW_FILE_NAME=TG1_R3_600.mzml
SUBJECT_SAMPLE_FACTORS           	-	TG1-MYB99_R1_0	Strain:TG1-MYB99 | Time (s):0 (no label)	Replicate=1; RAW_FILE_NAME=TG1-MYB99_R1_0.mzml
SUBJECT_SAMPLE_FACTORS           	-	TG1-MYB99_R1_30	Strain:TG1-MYB99 | Time (s):30	Replicate=1; RAW_FILE_NAME=TG1-MYB99_R1_30.mzml
SUBJECT_SAMPLE_FACTORS           	-	TG1-MYB99_R1_60	Strain:TG1-MYB99 | Time (s):60	Replicate=1; RAW_FILE_NAME=TG1-MYB99_R1_60.mzml
SUBJECT_SAMPLE_FACTORS           	-	TG1-MYB99_R1_180	Strain:TG1-MYB99 | Time (s):180	Replicate=1; RAW_FILE_NAME=TG1-MYB99_R1_180.mzml
SUBJECT_SAMPLE_FACTORS           	-	TG1-MYB99_R1_300	Strain:TG1-MYB99 | Time (s):300	Replicate=1; RAW_FILE_NAME=TG1-MYB99_R1_300.mzml
SUBJECT_SAMPLE_FACTORS           	-	TG1-MYB99_R1_600	Strain:TG1-MYB99 | Time (s):600	Replicate=1; RAW_FILE_NAME=TG1-MYB99_R1_600.mzml
SUBJECT_SAMPLE_FACTORS           	-	TG1-MYB99_R2_0	Strain:TG1-MYB99 | Time (s):0 (no label)	Replicate=2; RAW_FILE_NAME=TG1-MYB99_R2_0.mzml
SUBJECT_SAMPLE_FACTORS           	-	TG1-MYB99_R2_30	Strain:TG1-MYB99 | Time (s):30	Replicate=2; RAW_FILE_NAME=TG1-MYB99_R2_30.mzml
SUBJECT_SAMPLE_FACTORS           	-	TG1-MYB99_R2_60	Strain:TG1-MYB99 | Time (s):60	Replicate=2; RAW_FILE_NAME=TG1-MYB99_R2_60.mzml
SUBJECT_SAMPLE_FACTORS           	-	TG1-MYB99_R2_180	Strain:TG1-MYB99 | Time (s):180	Replicate=2; RAW_FILE_NAME=TG1-MYB99_R2_180.mzml
SUBJECT_SAMPLE_FACTORS           	-	TG1-MYB99_R2_300	Strain:TG1-MYB99 | Time (s):300	Replicate=2; RAW_FILE_NAME=TG1-MYB99_R2_300.mzml
SUBJECT_SAMPLE_FACTORS           	-	TG1-MYB99_R2_600	Strain:TG1-MYB99 | Time (s):600	Replicate=2; RAW_FILE_NAME=TG1-MYB99_R2_600.mzml
SUBJECT_SAMPLE_FACTORS           	-	TG1-MYB99_R3_0	Strain:TG1-MYB99 | Time (s):0 (no label)	Replicate=3; RAW_FILE_NAME=TG1-MYB99_R3_0.mzml
SUBJECT_SAMPLE_FACTORS           	-	TG1-MYB99_R3_30	Strain:TG1-MYB99 | Time (s):30	Replicate=3; RAW_FILE_NAME=TG1-MYB99_R3_30.mzml
SUBJECT_SAMPLE_FACTORS           	-	TG1-MYB99_R3_60	Strain:TG1-MYB99 | Time (s):60	Replicate=3; RAW_FILE_NAME=TG1-MYB99_R3_60.mzml
SUBJECT_SAMPLE_FACTORS           	-	TG1-MYB99_R3_180	Strain:TG1-MYB99 | Time (s):180	Replicate=3; RAW_FILE_NAME=TG1-MYB99_R3_180.mzml
SUBJECT_SAMPLE_FACTORS           	-	TG1-MYB99_R3_300	Strain:TG1-MYB99 | Time (s):300	Replicate=3; RAW_FILE_NAME=TG1-MYB99_R3_300.mzml
SUBJECT_SAMPLE_FACTORS           	-	TG1-MYB99_R3_600	Strain:TG1-MYB99 | Time (s):600	Replicate=3; RAW_FILE_NAME=TG1-MYB99_R3_600.mzml
#COLLECTION
CO:COLLECTION_SUMMARY            	P. celeri strains TG1, TG2, and TG1-MYB99 were adapted to HL intensity (1000
CO:COLLECTION_SUMMARY            	μmol m−2 s−1 PAR) by ensuring chlorophyll concentration was maintained
CO:COLLECTION_SUMMARY            	below 0.75 µg/mL for several days prior to any transient labeling experiment. A
CO:COLLECTION_SUMMARY            	2 L volume was inoculated on the day prior to the transient labeling experiment
CO:COLLECTION_SUMMARY            	in the SAGE photobioreactor and total organic carbon (TOC) measurements were
CO:COLLECTION_SUMMARY            	taken 2 hours before and at the start of the experiment to determine the
CO:COLLECTION_SUMMARY            	specific growth rate. OD750 of the cultures were always maintained <0.3 for the
CO:COLLECTION_SUMMARY            	transient labeling experiment. The culture was then split equally into 6
CO:COLLECTION_SUMMARY            	photobioreactor positions, each of which served as a time point for the
CO:COLLECTION_SUMMARY            	transient labeling experiment. Transient labeling was achieved by turning off
CO:COLLECTION_SUMMARY            	the pH control (CO2 supply) and by the addition of NaH13CO3 (Cambridge Isotope
CO:COLLECTION_SUMMARY            	Laboratories, Andover, MA) up to a final concentration of 11.76 mM
CO:COLLECTION_SUMMARY            	simultaneously with 4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid (HEPES)
CO:COLLECTION_SUMMARY            	buffer (Sigma Aldrich, St. Louis) up to a final concentration of 5 mM. NaH13CO3
CO:COLLECTION_SUMMARY            	was preferred to 13CO2 to avoid gas-liquid mass transfer limitations and achieve
CO:COLLECTION_SUMMARY            	rapid equilibrium. Preliminary experiments were performed to determine the
CO:COLLECTION_SUMMARY            	concentration of NaH13CO3 and HEPES buffer that need to be added simultaneously
CO:COLLECTION_SUMMARY            	to achieve a step change from 12C to 13C, maintain pH <7.5, as well as be able
CO:COLLECTION_SUMMARY            	to minimize contribution of unlabeled carbon in the labeling dynamics.  Once
CO:COLLECTION_SUMMARY            	the 13C pulse was introduced, each identical culture was harvested at different
CO:COLLECTION_SUMMARY            	time points, namely 0 (no label pulse), 30, 60, 180, 300, and 600s by rapidly
CO:COLLECTION_SUMMARY            	filtering on a 9 cm Fisherbrand glass microfiber filters followed by washing
CO:COLLECTION_SUMMARY            	with 15 mL of 0.2 M ammonium bicarbonate in 5% methanol kept in an ice bath and
CO:COLLECTION_SUMMARY            	quenching in liquid nitrogen.
CO:COLLECTION_PROTOCOL_FILENAME  	Sample_Collection_AD.pdf
CO:SAMPLE_TYPE                   	Algae
#TREATMENT
TR:TREATMENT_SUMMARY             	Once the 13C pulse was introduced, each identical culture was harvested at
TR:TREATMENT_SUMMARY             	different time points, namely 0 (no label pulse), 30, 60, 180, 300, and 600s by
TR:TREATMENT_SUMMARY             	rapidly filtering on a 9 cm Fisherbrand glass microfiber filters followed by
TR:TREATMENT_SUMMARY             	washing with 15 mL of 0.2 M ammonium bicarbonate in 5% methanol kept in an ice
TR:TREATMENT_SUMMARY             	bath and quenching in liquid nitrogen.
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	Filters with biomass were kept on dry ice and 26 µL of 100 µM 1-13C Leucine
SP:SAMPLEPREP_SUMMARY            	was added as the internal standard. The label 1-13C Leucine was chosen as the
SP:SAMPLEPREP_SUMMARY            	internal standard since contribution of 1-13C Leucine from the transient
SP:SAMPLEPREP_SUMMARY            	labeling experiment was minimal in this time scale of the experiment. The
SP:SAMPLEPREP_SUMMARY            	filters were then folded and stored in 15 mL centrifuge tubes on dry ice.
SP:SAMPLEPREP_SUMMARY            	Extraction was performed by first adding 2 mL of precooled methanol followed by
SP:SAMPLEPREP_SUMMARY            	maceration till the filter was a pulp. This was followed by addition of 2 mL
SP:SAMPLEPREP_SUMMARY            	pre-cooled chloroform and further maceration. Once the extraction was complete
SP:SAMPLEPREP_SUMMARY            	with the methanol:chloroform mixture, 5 mL chloroform was added followed by 1 mL
SP:SAMPLEPREP_SUMMARY            	of 0.05% ammonium hydroxide (pH ~ 10.4) for phase separation. The extracts were
SP:SAMPLEPREP_SUMMARY            	then gently vortexed for a minimum of 15s followed by centrifugation at 4o C at
SP:SAMPLEPREP_SUMMARY            	2500 g. The clear phase on the top was then removed and filtered using a syringe
SP:SAMPLEPREP_SUMMARY            	filter, diluted in acetonitrile (ACN) (3 ACN: 1 Extract) and transferred to
SP:SAMPLEPREP_SUMMARY            	LC-MS vials prior to injection.  
SP:SAMPLEPREP_PROTOCOL_FILENAME  	Sample_Extraction_AD.pdf
SP:PROCESSING_STORAGE_CONDITIONS 	Described in summary
SP:EXTRACTION_METHOD             	Methanol-Chloroform-Water
SP:EXTRACT_STORAGE               	-80℃
SP:SAMPLE_SPIKING                	1-13C-Leucine
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_SUMMARY        	The metabolites were separated using hydrophilic interaction chromatography
CH:CHROMATOGRAPHY_SUMMARY        	(HILIC) using a BEH Amide column (1.7 µm, 2.1 mm X 150 mm, ACQUITY Premier BEH
CH:CHROMATOGRAPHY_SUMMARY        	Amide, Waters Corporation) via a gradient method. Solvent A comprised of 20 mM
CH:CHROMATOGRAPHY_SUMMARY        	ammonium acetate and 15 mM ammonium hydroxide in 97% 18.2 mΩ-cm water and 3%
CH:CHROMATOGRAPHY_SUMMARY        	acetonitrile whereas solvent B comprised of 20 mM ammonium acetate and 15 mM
CH:CHROMATOGRAPHY_SUMMARY        	ammonium hydroxide in 95% acetonitrile and 5% 18.2 mΩ-cm water. All the
CH:CHROMATOGRAPHY_SUMMARY        	chemicals used were LC-MS grade. The chromatography method used a constant flow
CH:CHROMATOGRAPHY_SUMMARY        	rate of 0.2 mL/min and a linear gradient to enable separation of a wide range of
CH:CHROMATOGRAPHY_SUMMARY        	metabolites followed by a column regeneration step as follows: 90% solvent B for
CH:CHROMATOGRAPHY_SUMMARY        	1 min followed by a linear gradient down to 75% solvent B for 23 min, a linear
CH:CHROMATOGRAPHY_SUMMARY        	gradient down to 45% solvent B in 2 min, a linear gradient down to 25% B in 4
CH:CHROMATOGRAPHY_SUMMARY        	min, followed by a step to the starting composition of 90% B and hold for 6 min
CH:CHROMATOGRAPHY_SUMMARY        	for column regeneration for a total run time of 36 min. The column temperature
CH:CHROMATOGRAPHY_SUMMARY        	was maintained at 25°C and injection volume was set to 20 µL. Metabolite
CH:CHROMATOGRAPHY_SUMMARY        	extracts were diluted such that the final injection solvent was 75%
CH:CHROMATOGRAPHY_SUMMARY        	acetonitrile. Data was collected using a Thermo Scientific Q-Exactive mass
CH:CHROMATOGRAPHY_SUMMARY        	spectrometer in negative ion mode. The scan ranged from 75 to 1000 m/z with a
CH:CHROMATOGRAPHY_SUMMARY        	resolution of 140,000. AGC target was set to 3e6 while maximum IT was 200 ms.
CH:CHROMATOGRAPHY_TYPE           	HILIC
CH:INSTRUMENT_NAME               	Thermo Vanquish
CH:COLUMN_NAME                   	Waters ACQUITY Premier BEH Amide (150 x 2.1mm, 1.7um)
CH:SOLVENT_A                     	20 mM ammonium acetate and 15 mM ammonium hydroxide in 97% 18.2 mΩ-cm water
CH:SOLVENT_A                     	and 3% acetonitrile
CH:SOLVENT_B                     	20 mM ammonium acetate and 15 mM ammonium hydroxide in 95% acetonitrile and 5%
CH:SOLVENT_B                     	18.2 mΩ-cm water
CH:FLOW_GRADIENT                 	90% solvent B for 1 min followed by a linear gradient down to 75% solvent B for
CH:FLOW_GRADIENT                 	23 min, a linear gradient down to 45% solvent B in 2 min, a linear gradient down
CH:FLOW_GRADIENT                 	to 25% B in 4 min, followed by a step to the starting composition of 90% B and
CH:FLOW_GRADIENT                 	hold for 6 min for column regeneration for a total run time of 36 min
CH:FLOW_RATE                     	0.2 mL/min
CH:COLUMN_TEMPERATURE            	25
CH:INTERNAL_STANDARD             	1-13C Leucine
CH:RANDOMIZATION_ORDER           	Samples were randomized
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:INSTRUMENT_NAME               	Thermo Q Exactive Orbitrap
MS:INSTRUMENT_TYPE               	Orbitrap
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	NEGATIVE
MS:MS_COMMENTS                   	Data was collected using a Thermo Scientific Q-Exactive mass spectrometer in
MS:MS_COMMENTS                   	negative ion mode. The scan ranged from 75 to 1000 m/z with a resolution of
MS:MS_COMMENTS                   	140,000. AGC target was set to 3e6 while maximum IT was 200 ms.
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	Raw Area Count
MS_METABOLITE_DATA_START
Samples	TG2_R1_0	TG2_R1_30	TG2_R1_60	TG2_R1_180	TG2_R1_300	TG2_R1_600	TG2_R2_0	TG2_R2_30	TG2_R2_60	TG2_R2_180	TG2_R2_300	TG2_R2_600	TG2_R3_0	TG2_R3_30	TG2_R3_60	TG2_R3_180	TG2_R3_300	TG2_R3_600	TG1_R1_0	TG1_R1_30	TG1_R1_60	TG1_R1_180	TG1_R1_300	TG1_R1_600	TG1_R2_0	TG1_R2_30	TG1_R2_60	TG1_R2_180	TG1_R2_300	TG1_R2_600	TG1_R3_0	TG1_R3_30	TG1_R3_60	TG1_R3_180	TG1_R3_300	TG1_R3_600	TG1-MYB99_R1_0	TG1-MYB99_R1_30	TG1-MYB99_R1_60	TG1-MYB99_R1_180	TG1-MYB99_R1_300	TG1-MYB99_R1_600	TG1-MYB99_R2_0	TG1-MYB99_R2_30	TG1-MYB99_R2_60	TG1-MYB99_R2_180	TG1-MYB99_R2_300	TG1-MYB99_R2_600	TG1-MYB99_R3_0	TG1-MYB99_R3_30	TG1-MYB99_R3_60	TG1-MYB99_R3_180	TG1-MYB99_R3_300	TG1-MYB99_R3_600
Factors	Strain:TG2 | Time (s):0 (no label)	Strain:TG2 | Time (s):30	Strain:TG2 | Time (s):60	Strain:TG2 | Time (s):180	Strain:TG2 | Time (s):300	Strain:TG2 | Time (s):600	Strain:TG2 | Time (s):0 (no label)	Strain:TG2 | Time (s):30	Strain:TG2 | Time (s):60	Strain:TG2 | Time (s):180	Strain:TG2 | Time (s):300	Strain:TG2 | Time (s):600	Strain:TG2 | Time (s):0 (no label)	Strain:TG2 | Time (s):30	Strain:TG2 | Time (s):60	Strain:TG2 | Time (s):180	Strain:TG2 | Time (s):300	Strain:TG2 | Time (s):600	Strain:TG1 | Time (s):0 (no label)	Strain:TG1 | Time (s):30	Strain:TG1 | Time (s):60	Strain:TG1 | Time (s):180	Strain:TG1 | Time (s):300	Strain:TG1 | Time (s):600	Strain:TG1 | Time (s):0 (no label)	Strain:TG1 | Time (s):30	Strain:TG1 | Time (s):60	Strain:TG1 | Time (s):180	Strain:TG1 | Time (s):300	Strain:TG1 | Time (s):600	Strain:TG1 | Time (s):0 (no label)	Strain:TG1 | Time (s):30	Strain:TG1 | Time (s):60	Strain:TG1 | Time (s):180	Strain:TG1 | Time (s):300	Strain:TG1 | Time (s):600	Strain:TG1-MYB99 | Time (s):0 (no label)	Strain:TG1-MYB99 | Time (s):30	Strain:TG1-MYB99 | Time (s):60	Strain:TG1-MYB99 | Time (s):180	Strain:TG1-MYB99 | Time (s):300	Strain:TG1-MYB99 | Time (s):600	Strain:TG1-MYB99 | Time (s):0 (no label)	Strain:TG1-MYB99 | Time (s):30	Strain:TG1-MYB99 | Time (s):60	Strain:TG1-MYB99 | Time (s):180	Strain:TG1-MYB99 | Time (s):300	Strain:TG1-MYB99 | Time (s):600	Strain:TG1-MYB99 | Time (s):0 (no label)	Strain:TG1-MYB99 | Time (s):30	Strain:TG1-MYB99 | Time (s):60	Strain:TG1-MYB99 | Time (s):180	Strain:TG1-MYB99 | Time (s):300	Strain:TG1-MYB99 | Time (s):600
Alanine_13C_0	375795526	296885943	275884699	266140992	139723198	51294317	217955247	169741757	217046605	164565551	62728974	55075047	312406692	178888179	138333746	153918461	103255576	49651180	244863839.00	339706385.00	277419222.00	167162317.00	131165853.00	70993895.00	213843991	251549975	277683743	224293209	176445646	89616415	64054456	107577375	105102043	64607434	103780928	102833521	148909555	140910814	125702882	86776907	75225665	34919207	224626468	197434088	200188071	149307387	129066421	71174449	242049830	138430970	183677266	130291400	70488088	45988742
Alanine_13C_1	14224991	34812792	42906533	53544545	36028399	20232262	8112297	17115349	29576974	25812525	12838815	8487513	11067470	19912199	21196933	32151594	24507932	16436780	8408090.00	30242448.00	29823547.00	30070089.00	26208765.00	22616577.00	7700888	22157501	33393985	35712934	32652636	24205262	2086262	7747313	6616715	9072852	14574595	21203412	5098783	12358332	14272882	15775936	15923777	12657686	7637552	12881355	22325498	18696330	17543576	16204639	8216662	13366805	21862878	23621934	18761899	19089538
Alanine_13C_2	218508	10229609	24438649	81259748	96097794	101890207	263784	4721553	15907721	39099515	32304813	38285193	455429	5553234	13664170	56495264	63391274	78174377	198692.00	6018508.00	11623761.00	33624503.00	52404003.00	78741520.00	221462	4353076	13653358	42680700	62604919	77434750	180766	1483665	1999515	8561762	19842887	42094367	52717	2412562	7633979	24281551	37223047	45282536	110850	1907371	11535785	21653973	29727413	45304029	130582	3215282	10767327	35567574	43941733	67356114
Alanine_13C_3	342811	11133392	54673623	304445438	398855134	416233454	501089	4993140	31770614	127411740	112606987	126493252	1288618	6796211	21101689	172494207	244680850	296019024	459739.00	4429138.00	17188686.00	93635868.00	158970571.00	266345339.00	601826	3701876	18629023	107178510	183778709	248951688	417078	1164820	1923198	19439113	31326813	73012619	10573	1597539	9286885	47097933	70954061	93984995	14720	1053882	13972709	38046688	55764491	87363759	126457	2188738	12292071	63761305	82751303	130050604
Arginine_13C_0	18487084	19710825	25246672	24311008	15304701	9477095	12126510	16564165	17332046	8688652	10175788	9477434	10593710	18414711	18360967	6633743	6393867	9704510	3380701.00	4041361.00	5183526.00	4496204.00	3530873.00	4564515.00	2245177	3185983	2553242	4118128	2479650	2735760	9941064	15448654	7496184	10589111	12442047	12002817	16812349	14434609	23952836	16249574	18865619	16744772	15580969	15451102	26764097	13019272	15786397	10953543	25373854	15149247	20799196	15700385	14553146	15085168
Arginine_13C_1	1261045	1747076	3193273	7784217	7931878	7648971	796836	1306547	1886968	2682451	4580621	5631616	626519	1403284	2087646	1809038	2198110	5958459	169218.00	255681.00	459772.00	1008548.00	1186809.00	2979919.00	115048	173795	229403	829922	1249953	2142906	628190	1098637	655235	1748736	2790034	5253817	1090825	1022318	2033386	3210666	4718564	5482561	999211	1063679	2319451	2216010	4319371	5234109	1557960	1128800	1856835	3725019	4697379	6744916
Arginine_13C_2	21237	38821	107159	363366	438549	491947	3861	23206	39524	104267	233616	374843	0	28316	66352	36320	97811	369851	0.00	0.00	0.00	0.00	21159.00	138511.00	0	0	0	0	0	71179	0	15097	2936	30473	131361	356284	8142	18544	40054	142959	220713	326356	6708	7677	58742	72665	195993	295119	31009	18855	45971	161041	227417	427597
Arginine_13C_3	0	0	0	12526	70341	214692	0	0	0	0	34128	144712	0	0	0	0	0	147472	0.00	0.00	0.00	0.00	0.00	41982	0	0	0	0	0	12523	0	0	0	0	0	116636	0	0	0	0	17489	99621	0	0	0	0	8395	61677	0	0	0	0	23661	138073
Arginine_13C_4	0	0	0	0	50538	273511	0	0	0	0	16632	170021	0	0	0	0	0	183763	0.00	0.00	0.00	0.00	0.00	22655	0	0	0	0	0	6768	0	0	0	0	0	96584	0	0	0	0	8518	86379	0	0	0	0	0	53655	0	0	0	0	11408	144401
Arginine_13C_5	0	0	0	0	11065	220929	0	0	0	0	4275	125663	0	0	0	0	0	142914	0.00	0.00	0.00	0.00	0.00	4787	0.00	0.00	0.00	0.00	0.00	0.00	0	0	0	0	0	19915	0	0	0	0	0	54374	0	0	0	0	0	23164	0	0	0	0	0	94318
Arginine_13C_6	0	5970	0	0	44562	378378	0	0	7566	8858	7272	202975	7230	0	0	9887	0	242278	0.00	0.00	0.00	0.00	0.00	24565	0.00	0.00	0.00	0.00	0.00	0.00	0	0	0	0	0	15765	9324	10539	20517	12131	9752	56488	4505	6796	0	0	3046	19320	0	4392	8501	10804	0	79774
Asparagine_13C_0	12831728	12501124	13105755	14790876	10677225	5571403	22249158	19400054	24622156	21003150	14507603	17331728	19980490	19911837	16253611	17964268	15443131	13483056	25928873.00	38779805.00	31622781.00	28724582.00	24005588.00	22509423.00	17690704	23618975	29019626	32519157	26201331	18556154	14905366	27627479	23284253	30530917	26308758	31532767	39836370	25325650	37964773	30360813	27010929	25260964	29241984	22943933	45803044	19657990	24121293	18476345	38142613	27194690	37416877	28296578	24944022	20858212
Asparagine_13C_1	547841	674652	949161	2635270	2354231	1062157	992248	924442	1542186	2771579	2425395	3232876	913521	986614	1103866	2672185	2998332	2732654	1113456.00	1755890.00	1588436.00	2720864.00	3338644.00	3838625.00	727092	1073480	1648273	3101824	3387548	3523691	602177	1261160	1722218	2258556	2820569	4458961	1720094	1154868	1880451	2712135	3243871	4125929	1266249	999152	2335570	1475227	2449237	2686722	1613849	1199104	1794926	2662523	3157444	3832594
Asparagine_13C_2	0	0	167152	961668	972249	637702	0	85722	193218	888178	4327562	1663472	0	41811	165279	1016387	1197299	1178644	8942.00	144148.00	99178.00	752407.00	1132580.00	1683055.00	4156	23650	113238	795450	1065737	1327904	0	44644	33547	544890	1120129	2181303	6523	7267	95780	683475	1204044	2158323	11836	4319	147799	249494	622918	1127542	0	16880	123602	810833	1408177	2397796
Asparagine_13C_3	0	0	84747	1268570	1984663	1894506	0	0	98554	1128099	1768230	4330338	0	0	88600	1536209	2446594	3922788	0.00	0.00	20270.00	885398.00	2048244.00	4983497.00	0	0	14994	965094	2003500	4224772	0	0	0	451246	1239004	3819980	0	0	32676	959327	2175996	5505462	0	0	54114	364520	1122298	2803203	0	0	52852	1062419	2524089	6187027
Asparagine_13C_4	0	0	145870	3547848	6101702	5490488	0	0	147211	2520564	4314358	10876531	0	0	100306	3249551	6709400	10388135	0.00	0.00	32404.00	1700479.00	4420486.00	12283608.00	0	0	20919	1799081	4229974	9723200	0	0	0	460770	1358759	4729512	0	0	34928	1265884	2989400	8158275	0	0	55448	473949	1569844	4075909	0	0	38834	1473318	3402143	8474952
Aspartic acid_13C_0	354863043	285876574	232074603	178752928	86542341	39425492	202396904	162710503	160593078	93228846	40305983	34864277	211050252	133824337	112658598	79807896	44849592	24510013	158370348.00	243589814.00	159030795.00	99096294.00	65041842.00	43456356.00	139670038	166268650	184151396	197694458	86009415	37752878	56776795	54531881	70431510	56875158	33118564	20290261	147123576	104911136	136959563	78849455	47551303	29185867	97749828	97396565	162616996	65318752	54545428	31021653	168324724	126550285	145649391	81081085	37184070	26243846
Aspartic acid_13C_1	15344686	36522195	62967854	114411441	69293728	27769192	6301170	16774778	36839163	51899859	29166177	26721607	6950762	19525885	26934208	50129148	33953441	18396383	6783955.00	25533383.00	27066619.00	41033900.00	36663525.00	26763315.00	6270465	18542625	31442671	70832334	43327470	26090555	2058262	6363787	11756209	17551677	15815640	14965824	5906940	9692309	22026002	31372701	26402899	19812942	3452308	7182925	27202884	18100195	22686232	17778028	6515710	12654521	24839083	35230368	22607601	19843651
Aspartic acid_13C_2	260814	8675796	28254025	48954056	32700608	21372032	72362	4174316	14876934	19278314	12512294	16974372	34394	4772279	12019980	23180713	15797060	12235488	94370.00	5404079.00	9626656.00	18732779.00	17621782.00	16527844.00	113327	3727703	10033216	30302908	19611096	14772882	40968	3326827	5944646	9308155	8435783	9342159	70458	1624889	8574558	15514214	15240728	17087114	16272	899210	11034773	7667644	9770625	11693688	363386	2440069	10207076	18698111	14540710	19915046
Aspartic acid_13C_3	12270	3034103	22529773	94104849	94379530	98743454	0	1213031	11337411	35621715	32164601	69497147	0	1449376	10881476	47772041	45607375	54230600	0.00	1428648.00	5464115.00	30408649.00	42515799.00	56917838.00	0	878725	5868013	50599660	48460463	52050686	25631	1061209	2502157	10393953	13474331	19423127	0	456798	5963068	28033191	37056996	51580738	0	186294	7956387	13251157	21684000	31330680	0	679065	7620463	34320843	34434942	59488004
Aspartic acid_13C_4	59646	2054129	37810379	256966240	281630406	279797182	16048	871825	18470249	77345758	85630926	172454953	18972	967042	12777976	111436428	119614131	147336772	21050.00	661693.00	6506207.00	63973957.00	92477455.00	139151107.00	35985	420507	6097460	100969326	104086715	122147278	45099	529111	1661054	11609258	15580428	24084762	0	171009	5755865	40455699	51398132	76260401	0	91827	7026923	18101404	28384575	42208846	0	353860	6367903	45541990	46279738	80694105
Glutamic acid_13C_0	1788498779	1909448068	2041076291	3181976172	2585564056	1663432127	1570098702	1356422848	1867090460	1530132789	1073055853	1453648926	2195243928	1687962328	1464625804	2200973300	1778893050	1661769486	973661651.00	1576048397.00	1232417977.00	1113148464.00	975712071.00	964832700.00	978611873	1193498224	1420697932	1639880446	1208685578	894211786	528177153	675224801	463488767	1064524342	651000638	782738133	1128867941	1016108962	1109002507	922288855	959054387	880611436	750220530	808850966	1314953319	731159952	591457508	489463671	1360056909	1118993223	1221134617	1087483706	935325272	861234136
Glutamic acid_13C_1	97373671	107360893	120293398	202061947	175710161	121822676	84623038	75301400	107572361	95487367	73029043	108825551	119080000	93785593	85425239	138859346	118005593	121221827	52338251.00	87118974.00	69556011.00	69814754.00	66704474.00	71001479.00	53438456	65111035	86513670	67875270	84217678	66584984	28206921	37601497	26073733	70089973	51633010	76931026	60184424	57123838	62405182	57183460	66959334	66907629	40298135	43818281	74577091	44041528	40572039	36415258	72823888	60899244	70293988	69692342	62119508	68328170
Glutamic acid_13C_2	1954896	3592012	10680807	50464641	73536527	82178635	1863371	2639764	8520096	22030567	28995527	77276995	2419277	3116237	6267062	29905276	42113148	75442062	1174530.00	2221469.00	3731549.00	14342669.00	24066046.00	41075808.00	1127936	1561280	4402331	19746911	28295818	40037806	665391	1121878	1304340	10902217	18482831	42465512	1281733	1447814	3725899	11071535	24318227	43415871	793723	906949	4779368	6645195	12195676	18517733	1561389	1545353	4695530	16134226	23410885	43992717
Glutamic acid_13C_3	0	237888	3925404	48573084	89058877	123986583	0	87525	2614072	17946699	29982034	102503051	0	108455	1988589	28570520	51468897	111948324	3215.00	10443.00	738061.00	11273197.00	26222408.00	57877240.00	0	0	733535	15065133	28783475	55474300	0	23218	256486	6789044	15036386	45507154	0	5432	846287	7079767	22130522	53037562	0	0	1125732	4243864	9971490	20853801	0	3192	1075495	11340007	21264385	56956001
Glutamic acid_13C_4	0	0	876890	18498577	51452093	119583932	0	0	283720	6768633	17578274	98178169	0	5641	424986	12467651	30462713	102311619	0.00	0.00	0.00	3830095.00	11497505.00	44157363.00	0	0	0	3041961	12566745	39151319	0	0	0	1715196	5393073	24129923	0	0	49232	3203779	13690960	50155229	0	0	23521	1431367	4744978	15051429	0	0	121487	4850675	13573123	53693107
Glutamic acid_13C_5	4483	20802	898100	35635122	110049402	256432184	0	0	530668	11390731	32385868	185633288	0	2781	245344	20292416	61432998	206293716	0.00	7467.00	0.00	5187130.00	18832756.00	80222285.00	0	0	5959	3662698	19564763	67200207	0	0	0	1319446	4522076	22065616	348470	7312	297971	3149637	14543121	56501514	734829	679771	15831	1390725	4709403	16270651	0	0	2681	4352567	14058834	54123006
Glutamine_13C_0	464655285	473338496	522837153	645734453	649336525	440832265	352348797	315503175	488224249	424681015	302923626	386286489	491948524	478636630	439788916	668411254	607922922	424723979	335876882.00	641839249.00	455536985.00	508535163.00	521371784.00	507931728.00	377510849	459796762	594778221	456239094	620909036	495610332	198324691	248170602	302893164	451567677	271293943	368480415	239994038	277097739	254343252	275142128	234364249	227419103	260158631	269567899	289261929	303774838	283639857	295322864	242014116	275178406	274099996	285575879	275071316	222746464
Glutamine_13C_1	25261467	25813805	28945908	29885599	41143799	29838085	19135209	17065534	26859387	24842755	19009485	26680170	27026587	26246053	24310639	39612290	37749443	29326092	18418161.00	34653596.00	24703868.00	29639763.00	33254035.00	35810295.00	20534360	24894158	35210314	26798932	39783030	35543952	10546335	13454945	17133355	27024706	19143080	32352673	12632180	15190967	13664018	15734824	14542685	16280515	13985433	13967782	15555862	17404668	18188238	21058181	12835368	14337902	15231052	17147899	17595752	16356540
Glutamine_13C_2	517635	565788	887253	4799860	10293481	14153489	361811	328006	805794	2901328	4349389	13873745	583965	507978	634995	4489165	8226009	12563689	350988.00	722536.00	576110.00	3105527.00	7496558.00	15474024.00	427415	470880	837623	2708936	8592011	15578339	222369	266664	193687	2175707	4612017	16287872	266578	289749	293339	1517247	3295657	8068442	210174	230630	361859	1363314	3477602	8001849	245407	271207	317933	1923221	3889966	8138662
Glutamine_13C_3	0	0	97565	3239638	11858845	19790815	0	0	17166	1854535	4120094	16301796	0	0	20131	3303709	8867502	17574134	1742.00	50904.00	16078.00	1903882.00	7168164.00	19341026.00	0	1943	0	1300641	7230216	19608012	0	0	0	961350	3298461	15416309	0	0	0	764992	2630797	8517231	0	0	0	617396	2406775	8147636	0	0	0	1111012	3188670	9477840
Glutamine_13C_4	0	0	0	1886034	5535414	16612633	0	0	0	571797	2109790	13458858	0	0	0	1358636	4613016	13926302	0.00	0.00	0.00	463432.00	2722113.00	12733043.00	0	0	0	324545	2787667	11178233	0	0	0	60359	989318	6920973	0	0	0	227673	1530855	7419316	0	0	0	160182	855245	5001799	0	0	0	374709	1791813	8022183
Glutamine_13C_5	0	0	0	2233746	11611120	34742006	0	0	0	948005	3871443	25107127	0	0	0	2077256	8748932	27491924	0.00	0.00	0.00	667916.00	4225989.00	22685508.00	0	0	0	391333	3921116	18913319	0	0	0	9345	752488	6271870	10286	0	75385	252032	1576344	8221231	171031	54443	0	100593	857145	5227786	0	0	0	341632	1771749	8325807
Histidine_13C_0	5082348	2397232	2757987	1560679	1914763	751051	5085417	2796289	4272021	3117990	927235	2937031	6274125	4006662	3224215	3139274	4222823	2917631	5337589.00	9548304.00	2061972.00	3699394.00	1829329.00	3124350.00	5180758	6176818	5003421	6878932	3759691	2761257	1325948	1867011	4651850	2081130	1604719	2011003	2579084	2386492	1713441	1437776	1602045	1647337	3089238	2196355	2595074	1086287	1010088	1029340	3447857	2704564	2491834	1826053	1306707	1067765
Histidine_13C_1	277120	520248	296577	105757	126535	29307	253112	220659	407973	218475	70292	157982	404186	565234	219164	264970	194735	142223	326038.00	965990.00	201639.00	392528.00	105732.00	235403.00	271342	434856	590856	450236	317055	211311	121309	192204	480121	218549	111444	93142	146213	171800	146369	61607	50544	63393	84820	67481	389361	60738	62786	53891	241934	170026	281727	112384	51700	78142
Histidine_13C_2	0	70299	199738	70301	6613	0	0	34174	215293	35176	5018	28240	0	37479	128253	64952	9000	0	0.00	98863.00	69224.00	179007.00	18416.00	63205.00	3422	12838	237571	204429	99810	42476	0	7488	131144	125244	36203	61820	0	5280	94481	60263	34948	18170	0	0	183801	33448	33303	35550	0	14414	143016	63856	17432	43727
Histidine_13C_3	0	41195	437870	242778	194715	60127	0	34985	417354	238443	115207	200022	0	90524	418624	610480	371215	221398	0.00	47993.00	86848.00	539209.00	134794.00	393715.00	0	0	316876	1102566	538434	367825	0	0	75430	270827	151782	158909	0	0	188326	171966	161813	245864	0	0	232770	137188	120815	159603	0	0	159922	283358	166573	206999
Histidine_13C_4	0	0	367210	526701	785288	413428	4604	3971	421965	594576	439858	925172	0	0	314254	1361861	1234431	1442547	0.00	0.00	44575.00	1039867.00	451926.00	1346657.00	0	0	156406	2093829	1499123	1236579	0	0	20068	320429	356662	414149	0	0	69824	454134	397620	695778	0	0	147657	236020	263443	387136	0	0	107451	538865	382861	509478
Histidine_13C_5	0	0	466330	1090266	1873288	902989	5077	0	411606	1325539	594800	1943567	7456	0	181777	2782158	2938647	3247100	0.00	0.00	22235.00	1663262.00	877816.00	2831509.00	0	0	41847	2195627	2921314	2570035	0	0	11373	289572	241960	855054	0	0	34940	376276	569642	667162	0	0	79818	214212	362035	615741	0	0	56622	621906	452727	651857
Histidine_13C_6	0	0	0	42774	155373	605052	0	0	0	32595	97142	936661	0	0	0	110844	280166	864086	0.00	0.00	0.00	14916.00	32624.00	526590.00	0	0	0	18629	141189	461276	0	0	0	0	2311	68240	0	0	0	0	8477	119715	0	0	0	0	3450	26058	0	0	0	0	10056	89646
Isoleucine_13C_0	9669326	7359084	6676532	6732497	3664503	3425542	9585612	7015535	7780354	4927814	3373379	6301342	9753576	7670332	5799500	4900293	4198686	3586378	8318838.00	14184432.00	7972361.00	5777196.00	3972199.00	5587342.00	7602319	9732438	9183260	8170858	4803414	4164050	4525104	7603489	11251256	13038977	4925139	7498314	9086039	7829454	6494954	4047191	3324595	4023992	9167460	9378486	8466125	5534619	5172063	4221519	9465454	8034406	7576484	4437863	3807573	3858231
Isoleucine_13C_1	39052205	27057290	31079372	80505186	38945342	65161874	67709338	47879631	75298074	62324261	58093085	90877749	64332826	59254279	47437321	56813165	62372515	70837258	60811760.00	58788746.00	65637938.00	73091911.00	58996076.00	100925317.00	60941633	64744774	69457328	42205488	64362453	74971270	36535028	49154172	51018535	69402353	49363485	67548958	42450617	52010947	48071082	46020936	39804396	66050485	73680722	75181349	59983102	58492324	65670874	65774441	59231716	45414114	50888389	43841754	46998790	54702030
Isoleucine_13C_2	2064758	1483964	2542696	9673505	2680945	3740096	3727502	2601676	6075642	4575057	3809638	6903631	3531136	3315182	3391595	4136512	3942298	4073248	3347505.00	3355120.00	4226116.00	5086788.00	4004919.00	5999591.00	3421064	3619452	4430581	3689608	4599572	4748018	2007164	2837215	2973410	5327341	3629565	5772362	2277103	2919639	3198028	3393312	2744729	4134351	4056175	4172695	4006399	3872528	4418816	4214096	3136356	2583777	3410976	3596587	3307629	3647735
Isoleucine_13C_3	33638	31764	455520	2532733	1139350	952442	63321	74683	644476	923458	647160	1629058	32425	94515	474436	1121675	840113	768603	63045.00	74084.00	186356.00	767360.00	757590.00	966366.00	58605	81558	196996	732531	828540	871242	42746	55116	32515	540873	502300	1254980	35357	52363	299130	808912	807385	977192	64310	84710	390152	425836	622487	742686	63259	56816	333699	1057103	1098000	1249683
Isoleucine_13C_4	0	2518	595762	4695705	2871107	2316307	0	0	569718	1966246	1534161	3061575	0	18802	363853	3101008	2958960	2760543	0.00	0.00	84124.00	1293984.00	1446612.00	2253053.00	0	0	72486	927387	2026612	2023796	0	0	0	403853	507596	1424813	0	0	175099	1154131	1256448	1838729	0	0	236620	485891	775323	992089	0	0	205030	1334431	1680895	2212705
Isoleucine_13C_5	0	0	112003	2058545	2135112	3089035	0	0	113065	716500	942968	3925852	0	2032	77739	1601895	1440333	2555247	0.00	0.00	0.00	359432.00	615673.00	1909597.00	0	0	0	282300	661191	1445500	0	0	0	72549	162284	548570	0	0	36486	480498	803015	1851353	0	0	49956	146239	312453	639447	0	0	37035	538875	1073446	2171157
Isoleucine_13C_6	0	2918	103770	3380638	2203325	5666469	0	0	79886	1022530	1520434	6313269	0	2164	54317	1540818	2569444	4355141	0.00	0.00	0.00	487232.00	854622.00	2908623.00	0	0	0	282700	855789	2116261	0	0	0	28488	118864	587833	0	0	18381	408300	686422	1736380	0	0	15724	102833	256486	582916	0	0	0	424111	879336	1878634
Lysine_13C_0	20189783	18949779	24656001	29810447	19006166	10967658	17702310	15262060	16867465	16576618	8551209	10103600	30187392	22639973	16916237	25351750	24977755	18263057	61011825.00	39770393.00	68415237.00	66040673.00	62621817.00	62228396.00	30330116	43402312	28021914	29584356	24541292	46368834	19252669	28555418	15778153	25577097	19945584	18925938	48795536	47090167	58415067	38678040	44621821	30717608	40306659	42738958	86655680	32777405	38952754	24719777	102535983	47904419	82307395	64888782	47513608	52197108
Lysine_13C_1	1333782	1532747	2624424	3580707	2255513	1305543	1186327	1171036	1696235	1917579	1010762	1261961	2012453	1753226	1772579	3099239	2601146	1993223	4003566.00	2801508.00	5149071.00	5853585.00	5850615.00	6104381.00	2059617	3050884	2370035	2816860	2326609	4666822	1276936	1869148	1213252	2189006	1840291	2193716	3101679	3283432	4458064	3524732	4134715	3198366	2633854	2961604	6519831	3084645	3610963	2635074	6706688	3329839	6180745	5795458	4442388	4994897
Lysine_13C_2	23902	136342	1041541	2798184	1937733	1379119	22411	103309	635874	1429303	900198	1383540	37833	140231	570545	2157739	1865666	1498243	93255.00	84556.00	550087.00	2275220.00	2676908.00	3786858.00	34935	100984	228081	1186887	1220482	2861850	24814	57686	114992	559046	572963	1254712	68092	126030	629807	1689637	2189315	2185683	61807	84489	860197	1101056	1534122	1882312	165934	124327	804358	2482903	2368263	3208090
Lysine_13C_3	0	38191	780131	3913210	3243993	2609748	0	6758	451300	1705677	1318381	2228189	0	10176	364505	2736017	2959157	2620635	0.00	0.00	241842.00	2436186.00	3628380.00	5917973.00	0	0	78210	1237387	1572409	4692562	0	0	0	403424	559603	1514578	0	10117	305690	1560505	2433656	2773863	0	0	394112	955835	1666171	2271733	0	11712	343086	2444111	2596898	4633803
Lysine_13C_4	0	0	266872	2584479	2453528	2658170	0	0	111928	1017711	923512	2006508	0	0	108808	1810412	2311584	2542077	0.00	0.00	51176.00	1385960.00	2346175.00	4849118.00	0	0	0	672562	1032543	3751153	0	0	0	210517	353052	1100226	0	0	43282	822929	1579600	2500039	0	0	78792	420392	926438	1703840	0	0	69670	1331931	1853912	4280839
Lysine_13C_5	0	0	61664	1791071	2533442	4256964	0	0	24524	675458	960303	3109328	0	0	28636	1414599	2398694	4129589	0.00	0.00	0.00	736745.00	1900533.00	6053416.00	0	0	0	335760	853435	4685835	0	0	0	69130	221032	1126474	0	0	0	564093	1491247	3245492	0	0	0	244336	740118	1844173	0	0	8629	895358	1773614	5312867
Lysine_13C_6	0	0	62932	2959877	4911714	8149286	0	0	10780	1013118	1421085	5110295	0	0	16491	2077496	4138840	7160130	0.00	0.00	0.00	1037588.00	2642136.00	9699233.00	0	0	0	404669	1051753	7089599	0	0	0	27263	155901	835158	0	0	0	518029	1362507	3065695	0	0	0	192976	631956	1618320	0	0	0	734921	1534594	4850294
Methionine_13C_0	4621350	3822293	5070332	5930806	3098452	1890220	3063459	2460776	3765123	2371916	1440462	1378421	3187780	2487473	2436292	2530712	1749612	861704	6334859.00	7620113.00	9970247.00	8377790.00	6549242.00	7061902.00	5847237	6152169	6530883	3057061	4112902	3199865	1558421	2427150	4694502	3662905	2418058	1967875	6283250	6783206	5074846	4373100	2750546	3345619	4824126	4781547	8277843	3702920	3921295	2794914	6783189	8154387	6509196	4995318	4906056	3505681
Methionine_13C_1	250029	208793	386139	1856679	1745023	2172381	152843	124206	271996	840311	659032	1279475	173358	135304	170591	898553	1043414	999153	332159.00	388350.00	577954.00	1203852.00	2149105.00	3852978.00	307771	308940	396485	547372	1218815	1993490	72801	124506	94089	337136	536973	880137	368469	359284	314271	777919	1169933	2679807	795954	923721	487984	373698	756959	1030350	372049	444918	406509	1001966	1608140	2783549
Methionine_13C_2	0	0	30393	510234	568745	747565	0	0	0	175870	189058	440735	0	0	4384	237580	326548	353173	0	0	0	149548.00	393200.00	853793.00	0	0	0	62691	236808	490731	0	0	0	19641	81227	192868	0	0	5576	85840	211889	603345	3090	5527	0	33682	104795	231985	6833	4020	13252	113957	304488	687655
Methionine_13C_3	0	0	0	385013	492609	733352	0	0	0	104797	188332	388641	0	0	0	203832	295369	345348	0	0	0	88023.00	306527.00	871181.00	0	0	0	11714	199382	470942	0	0	0	0	61212	155287	0	0	0	57825	180103	624264	0	0	0	0	97912	262430	0	0	0	76127	300122	768091
Methionine_13C_4	0	0	0	787207	1354594	2330197	0	0	0	215009	425870	1183950	0	0	0	421372	756657	1079477	0	0	0	138509.00	580861.00	2118964.00	0	0	0	49339	353254	1255140	0	0	0	0	59700	201039	0	0	0	83427	253255	1181489	0	3292	0	21609	123439	438912	3122	0	0	88652	421167	1359749
Methionine_13C_5	0	0	0	311042	836039	3192292	0	0	0	107519	189981	1516008	0	0	0	131671	529269	1528956	0	0	0	33966.00	288809.00	1642074.00	0	0	0	0	150377	950043	0	0	0	0	11305	93610	0	0	0	16384	120064	913355	0	0	0	0	40635	192424	0	0	0	20592	173167	1009275
Phenylalanine_13C_0	6830625	2830567	1249322	1405050	729183	805563	4700875	1917588	1573695	847120	471095	1027739	8276374	4944877	1943317	1173384	905351	1243933	3612412.00	5176478.00	2423740.00	1695207.00	826137.00	1560034.00	4060612	3733110	2967820	3988920	913870	1167681	1491341	1564221	2230848	845742	615181	1017784	4501600	3533693	1885358	1189984	837203	1624521	2854585	2999269	2245427	774717	930245	1042134	4328682	3935619	1811416	971007	696587	836483
Phenylalanine_13C_1	616012	815398	236779	130388	33845	69272	424301	471163	255740	88467	50832	95848	773875	1231618	437972	130789	84328	102330	315751.00	1025140.00	565610.00	439451.00	142951.00	144618.00	389695	805296	704882	870689	140716	95727	124467	392646	635318	308925	49138	83839	409121	818115	283382	104434	75960	135920	257948	561507	469255	95157	89137	76972	408829	925528	392144	111597	65693	74769
Phenylalanine_13C_2	17523	714763	247296	5397	0	6298	4484	415291	212188	24231	11422	4296	10099	1072995	456772	35617	0	0	11686.00	402546.00	307599.00	379491.00	136534.00	37638.00	14458	340079	416758	385801	134005	10655	0	275595	387851	180934	17202	10552	14007	407549	248062	32218	8859	8798	5634	262213	432796	47363	15849	10855	12137	438801	355548	73651	18892	12167
Phenylalanine_13C_3	274202	705708	416236	200440	292342	99911	398988	402857	392911	34224	0	0	0	1030878	700890	58742	9866	0	17067.00	270165.00	357015.00	891732.00	398288.00	98429.00	296213	610484	484755	1262974	298597	70686	0	214332	282472	254565	26793	19696	984651	519362	687810	636593	344030	675344	514191	376865	703866	441231	364804	384285	377705	318446	534931	388804	277832	547043
Phenylalanine_13C_4	0	407494	655849	119258	29207	10307	0	277406	539975	59616	32549	20528	0	694896	957971	144737	65961	22879	0.00	133087.00	323411.00	166651.00	80725.00	44039.00	0	106696	401355	283081	88151	32747	2786	134897	453111	150498	80596	79276	3546	126691	519563	91543	40297	58384	104658	69778	800912	142809	69649	46730	0	153683	660483	134944	71523	78177
Phenylalanine_13C_5	0	242215	1025508	229220	100824	83099	0	191058	839202	182251	95328	66060	0	452266	1268932	423633	216053	117688	0.00	60218.00	320112.00	204333.00	132387.00	89240.00	0	33926	435308	503853	151969	64316	0	67976	279190	209229	156761	177384	0	58146	627267	239716	137556	186019	0	30047	978036	268186	168661	133682	0	77679	810608	341422	201432	276539
Phenylalanine_13C_6	0	87637	1226835	1026852	398685	447099	0	81329	917409	455230	266546	599337	0	208560	1332577	1040912	659164	484566	0.00	4786.00	277173.00	398719.00	314836.00	304482.00	0	7834	342737	1321069	375793	233055	0	32439	160080	594593	334756	464687	0	18758	618328	581266	412022	653015	0	5477	898882	551515	393279	381037	0	26852	757155	816007	564124	824240
Phenylalanine_13C_7	0	37897	1465367	2871298	1440172	1838509	0	34152	1082244	1176661	810585	1986109	0	83919	1239618	2631611	1994491	1863361	0.00	0.00	239458.00	765758.00	778749.00	846602.00	0	0	269447	1958275	955627	710971	0	5891	96003	509917	556963	831449	0	0	518219	1132560	864206	1483350	0	0	697540	876527	753680	753317	0	5563	564904	1464234	1154805	1712867
Phenylalanine_13C_8	0	413054	1052098	6107939	3668903	4872586	0	305237	688199	2190985	1706941	4615129	0	378433	820958	4993757	4588949	4640790	0.00	1399335.00	483954.00	1521583.00	1381543.00	1827726.00	0	775197	813143	2978897	1652008	1378416	0	423195	681108	1008556	668501	1012095	181700	236441	270614	1468136	1170328	2149830	273288	255365	377318	1011205	983168	1001537	27802	29540	301035	1725519	1526708	2260320
Phenylalanine_13C_9	10427	209690	803597	8259700	5299175	6295978	343029	549893	494177	2457003	1958321	4984329	624249	464069	439728	5450452	5835301	5603527	0.00	603412.00	183082.00	1115615.00	1501045.00	1901776.00	0	346818	413229	3208206	1645119	1490673	0	155793	507175	262622	332828	513759	4973	4602	111195	944118	740201	1396660	0	0	145386	601320	582980	598800	0	0	102813	1053821	890470	1376692
Proline_13C_0	799604116	618770181	631219939	1619721255	792013789	576879156	684007088	316213606	1023945952	689934792	273187322	1332433770	1457509964	538485853	421834367	1357421779	1033625607	1322598578	1012628784.00	1427562321.00	846962131.00	1268188613.00	676470845.00	1486055446.00	709153544	868753140	1183213967	956579588	1177516694	1284218704	363876780	329482731	828144685	549278822	266093287	432648288	971976304	680837999	815071485	761064220	698759708	827543746	643853377	425666710	1227606847	377649268	512818790	491676388	774231499	794933438	988278529	633892079	818702523	892123966
Proline_13C_1	45319470	35703946	34503519	89281138	45566893	32011123	37492416	18427004	57148105	38055414	16164457	73811136	79559414	29613652	24643948	75709024	56322982	73677151	40593280.00	78519507.00	45923012.00	72026759.00	37011496.00	85073521.00	39299953	48444573	68729611	51777826	65855946	71570545	19773193	17931294	45473885	29364644	15469527	23602040	51883332	37183515	43912550	40479274	38220420	45113235	26876989	22762872	66922574	20839550	28201535	26390655	42219991	43028822	53970343	32150962	43882398	48803722
Proline_13C_2	922880	618770	588301	2002213	1187505	1554539	796403	377283	1199393	822227	443852	3366474	1731833	662547	521859	1711810	1395584	3072460	804901.00	1009454.00	927904.00	1517288.00	938681.00	2626382.00	1014469	1015269	1505839	1134481	1565973	2425528	397280	371338	1124270	644840	633396	875760	1083121	719393	884934	886824	897488	1476908	518408	674128	1428171	407673	643922	719904	842825	886470	1075040	1087397	1066019	1775273
Proline_13C_3	0	0	0	0	242698	1291949	0	0	0	0	65082	2279182	0	0	0	0	130601	2063122	0.00	0.00	0.00	0.00	131848.00	1037455.00	0	0	0	0	104288	1164305	0	0	0	0	0	382048	0	0	0	0	10691	661562	0	0	0	0	25432	143533	0	1748	0	0	26998	831376
Proline_13C_4	0	4007	0	0	32622	839721	0	0	0	0	0	1669835	0	0	0	0	34958	1449153	0.00	0.00	0.00	0.00	0.00	555182.00	0	0	0	0	0	611096	0	0	0	0	0	141701	0	4360	0	0	0	369058	4734	4309	14149	3811	3643	21434	15139	0	0	2971	0	579585
Proline_13C_5	0	0	0	0	202445	2017239	0	0	0	0	35308	3185334	0	0	0	0	99891	2714691	0.00	0.00	0.00	0.00	47240.00	1122164.00	0	0	0	0	0	994153	0	0	0	0	0	60581	0	0	0	0	0	447135	0	0	0	0	0	34597	0	0	0	0	0	592894
Serine_13C_0	64349821	63481343	62842167	30411058	26544163	6870294	33071344	28174507	34131277	18928063	13559510	12026672	32456732	28316238	26627812	26731745	17923618	5868841	71552254.00	112076022.00	87987910.00	70294212.00	53714465.00	52655610.00	85370323	104779818	105087945	52701152	70708139	46945928	58679456	63233155	50903520	77781745	40007647	39459810	43770458	56294655	36380199	27563254	20578464	13624132	59394575	66126340	48723042	57869994	37415884	35265674	58465710	53128737	45171287	31255994	21601339	12348751
Serine_13C_1	2097034	4420179	7046632	8008228	8336205	1664880	1172377	1960449	3504629	3554300	2821889	2493294	1153317	2381906	2533951	5351073	4085718	739821	2488179.00	6203232.00	6828434.00	9920615.00	10229437.00	13092800.00	2932300	6196437	9451217	7087653	13858359	12460096	1806819	4344801	3463389	12195034	8711972	10413741	1502956	2865498	3055098	4036203	4213251	3848538	2023348	3074651	4078845	4821292	4951386	6150874	2027790	2935988	3908020	5600951	5476866	4712079
Serine_13C_2	7871	740815	3466641	9218144	11425561	9084255	0	344994	1588434	4944926	4611469	7938471	0	476747	1350476	5414572	5791979	6304561	17927.00	699371.00	2313046.00	8323404.00	12036288.00	15050512.00	31695	723381	3026086	5382921	14299831	15450005	45730	862943	1443313	9995088	9669273	12728300	7096	253115	1279753	4670110	6606672	8365827	0	177677	1749995	3148306	5010149	6403391	15168	283578	1642630	6291286	7822496	9671154
Serine_13C_3	0	480273	5248869	19340960	26260604	27972079	0	234769	2474988	10797715	11666092	22915684	0	347381	1492161	9768811	12294267	18752631		329918.00	2213042.00	12272931.00	21113748.00	27567730.00	0	344446	2877057	8392399	23346414	27196376	17874	470778	794976	10684682	10479575	15206460	0	93003	1224513	6397659	10591559	15200758	0	68899	1631310	4307442	7420892	8739124	0	124738	1457653	8039544	10620279	15978015
Threonine_13C_0	24923857	21512782	23658633	15296596	8147480	5367469	22867998	17556355	23537192	15760873	7776492	10090283	21105848	18788166	10779993	12892736	7252878	6865566	18340971.00	24833332.00	28021666.00	18072702.00	18936949.00	10151339.00	27635660	21148740	23715812	26154535	14517144	9509543	15256767	24254534	40033186	27529859	18409229	15866007	23227559	28365806	23362179	16961203	12586506	7679697	29210864	30607851	27896829	26472692	19511127	12216179	29419317	22606770	24024821	18708266	11367897	6635960
Threonine_13C_1	940895	1094139	2497783	4008333	5712067	2341117	901261	851638	1751474	4146973	2634184	3932747	704663	972657	969152	3699801	2969156	2569585	1010374.00	1428934.00	1863628.00	3782585.00	5471756.00	3422253.00	1325619	1150186	1686779	5479500	4374424	3506950	659593	1270705	2358469	4908634	3398091	4662480	939908	1384305	1299698	2921566	3394166	2654579	1219861	1347507	1614210	3198564	3276874	3049289	1311778	1106974	1458518	3608374	3226599	2672538
Threonine_13C_2	4493	44261	500419	1416683	2173309	1056327	0	19031	196159	1315681	926864	1852853	0	42422	176945	1232834	1599931	1272446	0.00	17312.00	205371.00	1489892.00	2253177.00	1906614.00	0	49973	158500	1944123	1681411	1667641	0	64933	124007	1248374	987103	2975888	4135	36799	126537	1147170	1558836	1738308	11272	25803	186800	977121	1103611	1516607	4480	24365	171409	1425258	1839470	2086942
Threonine_13C_3	0	0	217259	4315355	3914143	6075619	0	0	66691	1898994	2247332	6796409	0	0	88638	2457620	3193879	3134921	0.00	0.00	69883.00	1998878.00	4304990.00	6433038.00	0	0	27790	1589470	3633095	5498623	0	0	0	1006373	1104304	4872804	0	0	57422	1678566	3136403	5588677	0	0	82249	1399877	2196607	4336394	0	0	77471	2287179	3755371	6290874
Threonine_13C_4	0	27171	344399	5477359	15493099	17465809	0	0	106768	4406686	5628113	17638266	0	0	96630	5396154	10666882	7540779	0.00	0.00	56714.00	4330391.00	9806617.00	16026658.00	0	0	23498	3794633	7808268	13125662	0	0	0	1193273	1165293	6047150	0	0	42871	2256937	4514934	8499628	0	0	62423	1823034	2948085	6178179	0	0	51512	2911809	4985211	8845642
Tyrosine_13C_0	4412748	2239693	1851294	2855106	1813488	1367615	3271267	1736481	2328193	1392764	690819	1687942	5169579	3201224	1613411	2037276	1925171	1799195	2810673.00	3041509.00	3158118.00	2387559.00	1671042.00	2012722.00	2789425	3379382	3423776	1632871	1781556	1399074	1514498	2145011	4664571	2440704	1175642	1740558	5754065	3516426	3602815	2073804	1811014	2616712	3896901	3264627	4642571	1836855	1662417	1573620	4474737	3730812	3476304	1963491	1753018	1825705
Tyrosine_13C_1	399985	389869	253309	274240	143346	119440	293481	236501	299754	117410	60176	92078	461492	477460	245572	100315	95952	41986	249996.00	603594.00	441282.00	311208.00	176825.00	201430.00	284552	445259	525035	205316	184972	129038	104902	231813	249785	219538	81774	84624	531720	431857	426939	202847	171625	222536	313163	363740	625329	173121	156742	134457	411293	492064	475012	179707	162657	156548
Tyrosine_13C_2	0	253197	143598	30093	0	0	0	139169	161895	0	0	0	6975	224632	134380	0	0	0	0	75044.00	155608.00	102920.00	36934.00	26660.00	0	87930	198111	56816	29618	5901	0	50728	52206	0	7025	0	165462	95778	175184	24416	13461	19500	4826	65789	268454	28710	17836	15395	8951	108447	221365	22952	13907	9507
Tyrosine_13C_3	5519	183898	220741	28318	9523	11554	16926	107462	225228	7408	0	0	23996	184351	180673	50422	65763	36450	14560.00	15850.00	162426.00	212423.00	72993.00	36924.00	25906	55563	183774	98448	86966	22649	0	20668	34681	25206	24407	0	83705	67476	194938	54901	33981	261094	9756	20125	310207	39864	15753	12656	0	56262	250838	40473	0	12027
Tyrosine_13C_4	0	106627	300968	58030	7860	0	0	69866	308322	0	8543	3724	0	111449	216733	13755	0	0	0.00	5548.00	117409.00	66949.00	29947.00	27210.00	0	9266	154164	18952	33709	12683	0	0	19962	35179	41970	5581	0	28171	228545	68050	40963	52620	0	13461	333652	64446	48908	40433	0	32845	267367	67249	49442	42215
Tyrosine_13C_5	0	12942	353707	115732	0	0	0	0	326724	7408	6271	15799	0	29769	190819	23194	9523	0	0.00	6720.00	60788.00	59565.00	17406.00	25983.00	0	0	79080	0	0	8696	33751	0	0	0	41408	0	11823	6009	318230	165763	105372	180235	53653	6751	324402	108504	92085	103622	50369	13280	302450	230856	157222	198627
Tyrosine_13C_6	0	5909	423268	525740	209084	140939	0	8936	407055	149475	72804	203018	0	17471	251086	278035	145883	135713	0.00	0.00	80899.00	190360.00	138864.00	191560.00	0	0	85604	168634	152956	145385	4861	0	2222	169465	150269	223124	0	0	225317	311047	304570	460307	2754	0	283946	202937	223953	253606	0	0	222419	311593	324397	477897
Tyrosine_13C_7	0	0	513883	1479846	730532	674576	0	0	481725	395466	251884	712542	0	7147	212682	706677	507366	547935	0.00	0.00	69780.00	368453.00	359532.00	595481.00	0	0	82924	545674	434401	446677	0	0	0	315316	259735	411091	0	0	157504	585843	607262	1045639	0	0	208179	305388	423424	484054	0	0	153686	551537	637021	1014825
Tyrosine_13C_8	0	279935	327047	3160599	1898692	1824794	0	262278	581716	819400	505769	1668585	0	662990	447743	1282054	1149526	1340875	0.00	698411.00	578109.00	1152961.00	700973.00	1726930.00	0	712578	734191	958090	968355	1142650	254778	419994	658494	738948	579998	978914	915837	1096539	805421	1057010	816216	1522531	36835	20718	123215	369486	561500	684239	493480	1027291	779510	737299	652686	448802
Tyrosine_13C_9	19771	18551	232941	4069898	2666625	2344891	21538	20141	201370	843559	565987	1806270	48947	50395	53062	1370670	1384518	1605125	0.00	50888.00	29079.00	508265.00	709799.00	1311322.00	0	45177	62977	620368	750354	1038758	0	22249	10436	65090	137616	277464	58934	79419	60470	429553	527998	994234	0	0	33215	217536	334798	393730	36774	64119	58799	383223	493453	792927
Valine_13C_0	21261319	15278253	14562938	11781607	7255812	5380159	17542003	13205961	17357367	10261394	4612637	9542597	24421525	19561037	11212510	10741649	9196912	8669198	18680570.00	25391259.00	20701182.00	15000034.00	11309171.00	11604156.00	18649304	25137673	29420585	13217701	16556474	11235472	10146929	20044827	19945264	15067796	13052739	6769020	20092885	17745643	14700642	9031391	6494489	6509117	24633887	22213462	22891819	16508329	13078549	9389431	21411002	15343568	17982233	11115482	7021446	6105613
Valine_13C_1	840357	1329725	1819717	1934823	935771	512209	848193	1010599	2013742	1112420	546991	1212187	1483763	1503134	1306043	1487616	964961	816479	900723.00	1846545.00	1741731.00	1737761.00	1366910.00	1310215.00	972701	1642426	2565836	1766261	1916070	1458086	535496	1213675	1204593	1390387	1389398	1113052	1025585	1090537	1330006	1051465	815353	833755	1243937	1229935	2125390	1219213	1172645	1007311	1112300	1050227	1724769	1305811	975854	868905
Valine_13C_2	0	198195	1286642	4342964	2507900	1446389	0	109862	971857	1968217	1192406	2966293	5320	204643	722022	2668541	2127914	1685098	13837.00	68823.00	424530.00	2139688.00	2506096.00	2931758.00	5944	83671	524841	3248067	3157965	3432468	0	61374	97445	751680	1426768	1631253	15308	78920	525451	1432878	1392246	1701693	20871	34538	834501	867595	1341101	1621985	5319	89805	637717	1825427	1763907	1908454
Valine_13C_3	0	117605	1022759	4499595	4399181	2304010	0	88907	1087357	2342069	1409893	4007078	0	110336	601017	2734190	2321650	2559873	0.00		297415.00	2193939.00	2748033.00	3771360.00	0	21563	369524	1133278	3246778	4206564	0	0	13267	565211	1043371	1374245	0	14053	386331	1402489	1567605	2366265	0	5547	574641	737895	1191649	1728852	0	22851	465977	1780504	2012266	2723156
Valine_13C_4	0	10915	374009	3822932	3720534	5722811	0	1809	321301	1645740	1423059	6645309	0	20896	207366	2848591	3421402	5649929	0.00		63743.00	1086372.00	1843884.00	4929244.00	0	0	56927	557896	2169527	4617302	0	0	0	171229	518241	870463	0	0	134208	979944	1647112	4053362	0	0	192673	392289	773002	1840084	0	0	147888	1257254	2186908	4434779
Valine_13C_5	0	14149	487063	6785667	8242977	12882564	0	3958	310219	2953292	2675664	13411044	3668	14222	177924	4942014	7225494	11763947	0.00	1969.00	51585.00	1643176.00	3211202.00	9564070.00	0	2979	20726	1237219	3578487	8301023	0	0	0	169080	462513	822911	0	0	87898	1092022	1808083	4669652	0	0	109356	379126	857091	1918378	0	0	79914	1225970	2280100	4724447
3-phosphoglyceric acid_13C_0	930472116	6906901	15444202	58692906	43829322	17648519	46922089	626646	10847896	3259843	640003	5834558	266329873	2007876	1522527	16597371	7756262	8298581	3063749	10615755	477259	644176	527845	451234	78029231	959650	4255362	4874182	1791185	578064	35835373	26121984	128709523	67425257	13764865	24858484	183844567	41192	89525	334586	38402	3302844	40865425	70488	142330	268627	37837	1991761	399673	42370	266386	22301	26216	26344
3-phosphoglyceric acid_13C_1	29624151	15653499	20415622	37081002	23601158	9905521	549777	1145978	23078218	7300826	365467	3843017	8867146	4653496	2664920	7405960	5355987	4822854	101993	22838202	6296923	1618774	499521	672230	203846	2079121	13416511	4830744	2573257	385129	1174291	46861980	261291001	109951999	21482704	25927080	6360157	155856	262353	646686	11463	5783992	1603939	417244	1028872	333965	72626	1791077	3578	39611	479518	60861	5656	3263
3-phosphoglyceric acid_13C_2	641068	6960478	26438656	150326515	129866582	62083449	158225	570846	25415248	19793860	1956144	20235512	541546	2470771	3537041	27635353	24971882	30703360	102829	8823391	4863201	5737066	2051095	3607288	144524	923663	13722998	16833688	9309574	1906063	129886	23499023	204332457	256130779	59132438	71108502	744222	48080	274343	2250849	96860	27064486	302938	83915	1168908	777244	118835	5977683	37155	64596	1817033	19534	110710	27194
3-phosphoglyceric acid_13C_3	933273	6952756	66243180	509207849	446245450	212436532	592919	606004	38762996	23736796	6249154	62838983	933651	2595089	5751983	139287722	85908450	95587211	111620	7170729	8190528	16344237	6672450	10936593	291679	843975	21550204	44601535	23978266	4855128	203967	17057131	206744479	396891948	89479641	111024366	856190	30079	485913	4336568	153147	36325982	545719	87724	1514131	1166479	414876	10677667	0	57185	3534326	7449	184065	70678
Alpha-ketoglutaric acid_13C_0	61186971	45352406	45991686	79043932	50412210	59306827	42597705	28535269	38970331	34082508	21825503	21914721	61098672	48402357	42568291	48744534	42045427	42333622	4427748	11016868	14041256	8643703	6667140	8564442	8648975	15576116	16919794	16882453	8053235	4443113	8745234	15238216	14478235	30080975	14141381	17267716	43872525	26971499	35216544	25103900	20101783	33551008	27674580	26577216	58808222	13669056	20396545	13130080	41436240	47620686	44561575	38373194	35664547	32926595
Alpha-ketoglutaric acid_13C_1	3370976	2499389	2862044	5297753	3614982	4345769	2294105	1600196	2229009	2008659	1497857	1611184	3423228	2713302	2494977	3132058	2862090	3073347	230127	549965	804756	536929	442107	627669	437627	675144	800911	718403	328481	232089	435447	890482	695728	2096542	1024112	1712875	2345046	1451531	1998850	1448987	1357530	2558951	1383995	1438105	3374770	803299	1318527	973277	2131715	2691630	3521470	2089277	2329191	2212727
Alpha-ketoglutaric acid_13C_2	60957	75548	254332	1324443	1472276	2972765	34985	56605	169756	433543	546708	1150057	32902	91873	186724	648635	1018588	1981349	0	9138	30253	102471	143496	325009	0	0	22389	93193	170320	176118	22302	3312	7466	278605	400199	929797	22244	15059	121664	273260	467953	1692304	0	0	224465	105586	327723	421248	0	160718	2310671	43140	500715	793274
Alpha-ketoglutaric acid_13C_3	0	0	98888	1260469	1774566	4704757	0	0	50618	382967	601434	1486244	0	0	61208	664923	1223615	2989850	0	0	0	78661	165481	495645	0	0	0	56144	150691	241347	0	0	0	43997	305243	925692	0	0	6390	170703	432885	2033321	0	0	28989	0	298281	504278	0	19978	3095834	0	343778	751512
Alpha-ketoglutaric acid_13C_4	9493	5965	0	517635	1061177	4506834	9679	12308	4800	148574	365297	1510866	9079	33950	19718	280559	750348	2814338	35202	44592	68224	53830	57059	392754	16295	77055	36570	6633	64705	136628	20967	47698	0	19731	106168	466100	0	105618	97405	68081	270038	2017969	0	0	0	0	116521	355751	0	0	2945042	0	166980	547152
Alpha-ketoglutaric acid_13C_5	6761	4053	12676	1007950	2426557	9950485	5572	2337	2161	261928	706165	2900265	3764	2967	7112	491489	1574523	5855279	0	0	0	51516	144654	801689	4009	0	2830	18709	121977	349597	8634	5126	4975	4994	58596	490715	0	0	0	78105	317302	2366109	14977	10803	0	0	160464	463672	9475	14789	3207455	0	178539	590253
Citrate_13C_0	263575630	102364444	119187990	203196722	155405208	122922006	229364118	22646938	82900268	90597582	25125275	138462046	330579803	92746902	55040942	232021084	198973887	164056698	9927154	106595584	13971586	15484283	13958150	11348230	8479450	19237554	74357641	101171018	18728887	4327649	198361027	265731482	311814830	290658322	193563683	188007201	218153657	3411441	7125592	25950740	767206	41830046	61590337	2646350	15091544	9023777	964472	9207452	26536625	23862551	20673560	19758626	19695223	19194777
Citrate_13C_1	17747272	12992406	19221095	37713363	22401128	13981067	13762142	2709357	33961173	18263469	3772845	15947926	24208709	7225913	6389589	16668537	23682081	15796905	761591	15563790	1457327	1988755	2372535	1416779	597859	1618106	10738996	17032511	6286829	3107878	13194374	26410927	32622537	43307579	36553780	37008225	6930314	402941	1163381	3992177	203161	5551442	4933812	231728	1951609	1134050	152481	1917664	1401534	1457463	1500969	1261202	1243339	1706682
Citrate_13C_2	312221	4362554	15504947	40713440	22247720	13649023	478075	880183	21373500	15949014	3093521	15407404	232741	1526922	3955476	14045113	17651671	2960439	29774	2503055	688632	924311	1864093	1864260	106705	474685	3380971	14203134	7292230	762238	500041	6687037	11493459	25897045	25210652	26978614	258702	63954	668720	2877542	107078	6967187	131287	24660	859342	593400	107026	1165534	25455	64205	440944	67284	80340	55735
Citrate_13C_3	38931	1049563	6945645	41276912	29875749	21479251	198504	254859	6549932	11732164	3522229	23221655	106028	725923	2189909	25291871	20193953	15327491	8840	1045950	274155	852834	1761220	1433515	17623	151992	1493300	10496394	7137973	980615	122151	1895754	3961636	15673004	21384758	29130022	14461	12877	258049	3067536	113077	11117400	26031	5295	543497	475964	99362	1805	0	21567	725144	3496	56954	33595
Citrate_13C_4	79327	551636	7183236	54551146	45368981	41425274	147246	188758	9040734	16009438	4531783	36623265	143686	399764	1914435	34529045	29510622	28681017	74776	989229	268840	1627968	1805276	1893565	101394	199285	1010799	15629460	9692701	2019987	190026	968736	2582907	15710607	21009871	32085511	20094	5110	210930	3310093	138866	16549591	18597	5232	281533	558060	125740	4855	0	16797	1167132	3860	53965	22534
Citrate_13C_5	100791	223479	2222107	33821834	42646614	64471595	159999	35815	2504911	8519518	4044518	47282653	142256	227321	638455	23932733	31360098	39013091	23143	231734	128320	564958	2506114	2590213	31263	131415	576343	5656747	6606930	1530317	83005	167065	370903	5285643	8428378	20515684	16940	4623	83224	1985865	81370	20606009	7401	11332	91498	290130	58136	1725841	29625	85173	1361226	16731	58199	32323
Citrate_13C_6	167904	278204	2353126	54938829	81028417	117191398	168970	116968	1875332	12965225	6074825	73792356	153432	521894	663237	35719098	53052229	68764455	9902	236192	87135	1195266	1616102	4001086	41891	129862	346739	7905261	9373666	2232383	0	0	303969	4085852	6099127	10013363	22657	0	68735	1858147	86887	16221028	7465	0	39495	157741	31380	5717575	0	0	1262832	1621	21502	16527
Triose phosphate_13C_0	2374396	985835	559082	468518	187447	138003	1202288	403979	528054	294950	109941	78550	1730478	759621	380605	493203	341408	115582	640165	954939	338659	132820	130750	50521	760684	497179	304250	368052	258515	122869	1466610	1348723	985927	565075	468058	581683	35384	15383	12418	3276	0	5219	1770512	496696	437311	160774	91750	252846	30577	19904	3102	5712	0	0
Triose phosphate_13C_1	48907	842190	551237	401328	81798	89940	8794	232417	510405	171812	27307	15787	19347	644748	289442	259971	141268	23409	0	654242	213325	78510	16880	12216	17791	380555	431700	188503	52790	16304	10203	630585	663975	419428	258181	232402	249960	135747	257082	45891	29080	167818	630416	318357	322086	131351	56641	292424	41650	59874	158890	47498	26302	22692
Triose phosphate_13C_2	203261	252407	417804	783888	654326	745594	0	101299	417721	430149	222350	312951	0	203614	275015	605042	514071	596961	0	146030	283523	127719	397933	230439	61236	157685	230344	293979	400245	328311	17763	210339	378759	792381	706364	667289	0	33447	204304	239217	92530	618670	0	64643	242791	252490	171862	401874	376599	161959	2115728	116240	282412	309195
Triose phosphate_13C_3	40611	231956	936993	3009081	2609088	3042197	0	84195	876489	1502074	780519	1373804	0	162753	403931	1836523	1829595	1790940	0	79601	117319	545534	770138	436876	0	31698	325403	1433521	1294172	665348	6224	145522	362334	1294228	1124043	1247983	0	3781	219845	544473	159018	1122478	17163	16537	348319	354026	283144	703842	9993	109932	607261	20710	147561	71373
Erythrose-4-phosphate_13C_0	5917984	538683	327897	392956	226769	71217	3182524	1326987	682819	321456	236890	291374	3701392	1370242	625955	0	583191	0	2482134	1444026	700997	406910	382325	179421	1842751	1018927	670937	924616	448596	194947	2963596	2309706	1500376	1035815	835385	1048144	6014258	160953	103428	171325	17861	218865	3906202	375860	295590	136895	104359	255834	165208	0	31956	34092	35242	22061
Erythrose-4-phosphate_13C_1	255473	969335	238684	91943	48707	0	97471	0	438065	76896	17781	7841	182702	789285	297109	185799	41024	2488	53280	1456071	146516	42859	26556	12268	32385	685888	685135	164266	48004	10863	138508	1015011	890474	372975	215264	213021	337517	237828	169409	39390	0	84625	204915	707023	410516	97463	20895	123440	11561	25194	4181	44847	2615	0
Erythrose-4-phosphate_13C_2	86302	1613805	815251	568881	388378	202773	0	436098	1049381	476340	200021	333070	0	963719	582642	575829	312724	232022	0	1497497	832957	396384	263405	132884	0	799108	1133590	617534	403147	140309	61007	877659	1155230	1016202	696020	601831	0	228263	378493	269779	16661	553979	0	505434	1157601	263063	125967	388611	25198	357198	295411	117152	60069	31999
Erythrose-4-phosphate_13C_3	0	645664	1165074	2519917	1950552	1320979	6465	185833	958114	1151936	658032	1227660	0	461906	602235	1457848	1443263	1393453	0	422501	411355	719474	1104658	419734	0	361245	1073784	1742575	1332644	576650	0	393897	748105	1739587	1593107	1587830	0	78915	387880	738399	166242	1925762	0	201912	956290	635576	342454	1398623	36837	103726	857840	33894	217226	218390
Erythrose-4-phosphate_13C_4	71178	461672	2295726	7088022	6190237	4083157	0	124818	1487343	3043464	1242501	3076500	0	360246	667645	3476206	3961423	3789122	0	242375	891458	2545445	2217498	1700551	0	138788	1243303	3176139	2624416	2419214	9231	214514	534564	2029506	2004225	2044511	0	5903	490590	1389270	196052	2632988	0	31873	1262852	1128821	612844	1903043	0	170067	1138807	3575	350155	150694
Fumarate_13C_0	203986834	132621207	104215472	62007579	28074348	92545202	208715931	154576815	141810369	78488962	33610323	54179163	244422163	161327759	102237100	61248807	32899515	37604687	57522302	65177378	40707514	28525726	20625569	17603483	51944009	75599716	46364143	93559601	21375797	21704157	173720943	214960089	300518022	209581249	95455639	79844021	198833974	152262759	126924658	69751048	41381113	26974227	203743766	178245649	172029334	109258306	79448770	46989272	226438967	148869313	25780781	152653781	72353180	39172597
Fumarate_13C_1	10583934	21198812	31484133	48540034	16791153	12067506	8982446	19718560	35913905	44941846	30528178	30113407	10500319	27275033	29085499	43945481	37003122	16478786	2507031	16308342	11916867	13009117	13369580	10085702	2011414	8883609	7678775	16642176	14992727	8437477	7678779	35715643	60771474	32085693	47368634	57490975	9084820	17515023	23877822	30794602	25211984	21035320	9679912	17141142	32121083	27403829	30842195	24918459	10360070	29057398	21521028	19268709	37086797	25770650
Fumarate_13C_2	227313	6098020	15125540	21570831	10062426	12154511	139638	4853903	14821429	15468802	12247662	17892584	224863	7917131	14723085	21252717	15914031	12856087	65141	6835689	4467255	5930597	6233253	6321545	63714	2075563	4983658	7301493	6700570	4884705	194041	17638004	30109692	33908777	25608216	33786658	196743	3482812	9658468	15279293	14906090	19941165	122580	2315304	14378214	11230864	12497098	15200711	206364	14286368	23229240	4818641	21597859	17391437
Fumarate_13C_3	76985	2447414	13658033	44311190	53539770	53333477	59280	1975338	12478441	35329629	30217080	69620966	47169	2411690	11685181	46475625	46736169	59866525	35592	1174833	2820727	10219689	15725114	21649979	54154	711628	3275212	12719137	16341423	16465515	132944	5509711	9109706	34776894	35763144	64110025	54257	1094588	8704905	28236970	35552584	55339445	747503	601998	12032714	19275176	26737778	38091622	797114	10357459	65842914	1361946	39135000	41238962
Fumarate_13C_4	6461268	4651604	21779413	114246216	83197489	136402484	0	4528113	18669272	69499537	81664275	164863758	5113748	2744210	17039775	100464419	125435589	148126654	0	236604	3105550	20909047	34358571	50980950	3819268	3154272	3349523	23706071	34000481	38078338	2704764	3276282	7559353	21594232	41144876	78568933	2324846	3503257	7518691	39991820	49216681	87773598	0	3274375	9902179	25845559	36151689	51917812	3020535	9285473	88203722	2316747	49605632	55181001
Glucose-6-phosphate_13C_0	68047788	20434263	12687516	12180332	4764311	3753075	30209541	6173051	12479776	6035984	1959289	2382159	48199973	12806653	6038023	7937306	5027861	2239049	15001430	17186596	6827438	2367325	1934574	1981577	15654055	8086649	8286542	6260896	3480819	1765914	37133895	29802065	18552339	14922142	9547540	12730027	63535575	2171389	2912295	1612083	501080	2348215	38749234	5832445	7433827	2306363	1425928	2897771	6731080	1557782	1057035	0	298687	209925
Glucose-6-phosphate_13C_1	4522619	9665657	3602922	2130898	792342	509582	2177365	2657295	3712356	1082462	398148	407315	4039085	5688510	1871842	1350129	707040	184113	954612	7292410	1574395	630774	400653	198291	759026	3995629	2909403	1315519	744792	138828	2481013	9578634	6640842	2917038	1704817	2053781	4128820	1320006	1001486	304844	66307	358034	2704792	3891008	2190789	460049	242462	494722	640704	667991	297751	549785	92186	75270
Glucose-6-phosphate_13C_2	635413	13588118	6575405	3850029	1086499	815561	368103	3331000	6230976	1578069	547506	662098	115943	8549128	3566003	2259430	1077512	524582	14880	8951883	1736286	470148	445029	450994	5713	4563930	5486876	1592987	1002365	238329	0	10167275	9250313	4779262	2542737	2359730	33621	1488912	1384106	547538	113424	671302	54109	3703579	4644528	840508	300200	774818	31433	794382	515577	782845	172546	76735
Glucose-6-phosphate_13C_3	0	8500539	8068601	5493331	1884874	1876489	0	2264358	7281310	2611296	912291	1169336	0	4830085	3669356	3177412	2007934	1132599	0	5322998	2995434	1516975	885217	704880	0	2544973	7228116	3101241	1692438	814344	3308	7137392	9550435	9671689	5955801	5575262	0	902333	2099637	1173641	263553	2052569	0	1977454	5750286	1200340	663274	1851055	0	1090310	1430749	391228	337346	255919
Glucose-6-phosphate_13C_4	5650	6564985	14138276	15848235	7612513	9677850	0	1872417	12983516	6826938	2767996	5784257	0	4223782	5354087	8867033	7208153	5341871	0	2873385	4055150	3577791	3174835	2481988	0	1679403	9772455	8529268	4874891	2273307	0	4970688	9085999	18705462	13590547	13635262	0	592186	2550367	3219367	719122	7260510	0	787727	7487262	3141692	1847473	5803130	0	1345241	4330951	214597	853581	519690
Glucose-6-phosphate_13C_5	36917	2049696	11072613	34619052	24819237	37022029	6553	743223	9515933	15250751	7832882	18134335	0	1916471	4480936	19208381	19601407	18966062	5026	1053835	3271664	6555556	7025194	5054276	10987	695503	6543207	16827801	15525868	7994153	11509	1745651	4916998	24327225	20952802	22967839	0	165348	2308687	5649358	1318102	16219299	0	254055	5550285	4735339	3427536	11495767	0	903429	11116174	62800	1447590	1081995
Glucose-6-phosphate_13C_6	0	1421330	13852982	68316819	52530394	73086787	173493	374511	10948149	25180954	13255868	31232167	0	974033	3370456	32695393	37425122	34108137	108390	431234	2278459	11799753	11186839	8857869	124511	205569	4099695	26444108	17354517	11764078	303880	807177	2539464	19452757	17444115	19913935	8002	24810	1421940	5763552	1240530	15463153	4481	27306	3094705	4493998	3216755	10294787	3029	721162	10075487	12364	1442151	1028219
Fructose-6-phosphate_13C_0	36760641	5574390	4532668	7420588	2842545	1134263	5387526	1273616	2600004	1203596	423540	1305292	22678323	3871878	1564470	2256534	1330820	748685	15001430	17158702	5925716	2006923	1692752	1204644	15654055	8070120	8286542	5742224	2772179	1053767	8494249	7903061	7467396	7126494	3197575	4828864	21036903	667935	411103	401369	133890	315299	9455661	1184166	1423979	723781	423594	441393	3032739	486750	302323	208821	77007	100935
Fructose-6-phosphate_13C_1	2776849	2815493	1351094	1410801	382581	302016	372129	412358	782841	206042	78801	107124	1154012	1313238	459615	425429	273923	77853	954612	7292410	1574395	630774	400653	171322	759026	3995629	2909403	1315519	744792	109142	556805	2638703	2161328	1471107	523571	779985	1555159	496579	151225	146834	2338	107621	435825	1468939	358050	165282	59928	95794	220020	295699	53817	152062	9590	5933
Fructose-6-phosphate_13C_2	0	3994515	2542613	2498005	748552	477179	0	552441	2232426	557619	117450	310800	0	2782829	916632	749206	405017	203053	0	8851840	1736286	470148	445029	450994	0	4563930	5486876	1592987	1002365	238329	0	2793598	2823633	2298051	839063	932881	0	785138	498177	199107	8500	152594	3148	1343339	855772	226807	81551	171464	0	130978	86539	270482	27506	7759
Fructose-6-phosphate_13C_3	0	2428328	2776006	3572357	977714	912019	0	469963	1927054	533912	178450	367413	0	1447338	693830	933486	427901	319467	0	5110205	2995434	1516975	885217	704880	0	2544973	7228116	3007297	1692438	814344	0	1925467	3137844	4367366	1767372	1904888	0	404545	550966	312336	46259	530066	0	468374	1108466	351516	138919	264323	0	219213	365789	98327	63740	31391
Fructose-6-phosphate_13C_4	5650	1927187	5091311	10195163	3998156	4793198	0	362063	4048559	1196035	446790	885986	0	1369508	1703847	2746013	1535314	1891905	0	2792690	4055150	3577791	3174835	2481988	0	1679403	9772455	8268830	4874891	2273307	0	1288772	2606507	8277691	4098244	4662006	0	90646	410348	1054226	96781	2340331	0	165606	1711455	482117	565505	969851	0	263343	860882	14701	123224	98310
Fructose-6-phosphate_13C_5	17068	623867	3922310	21424441	12790024	17831425	0	148225	2109254	2811600	1146878	6450064	0	520966	1278704	6427754	4223686	5820185	0	1053835	3271664	6555556	7025194	5054276	10987	695503	6543207	15121112	15525868	7994153	0	415341	1580572	10830900	6162457	7759687	0	15736	600735	848651	305448	4925133	0	30740	1045914	1150124	950240	1691304	0	106083	1020700	8659	553147	188028
Fructose-6-phosphate_13C_6	581340	405611	4646588	40856862	26862608	34610511	26528	70499	3155748	4807000	1742886	9113787	25060	314244	921485	9402733	7958265	6748396	65738	431234	1832922	11799753	11186839	8840256	85918	205569	3743433	26323642	17354517	11701876	166796	279360	752374	8639064	5190757	6847095	0	0	234025	656884	250766	4636048	0	4367	527818	614799	579105	2783679	0	156929	1407433	2278	498588	307579
Malate_13C_0	457857947	265230773	226888067	125755430	31381298	24071246	385869771	284090793	240406314	166139490	60728599	55405767	432144586	246835570	179313273	98666794	55539876	26772713	141735298	132885919	104657205	68319404	48662735	34655606	150868930	125528530	89390196	183436885	49485840	25110663	340411047	402787321	582295241	393021595	180033410	154867761	326071882	253476808	195851596	108324565	63464059	40871622	356758906	309947334	271889486	178427126	134468432	78859172	386708485	243187213	40736383	257931217	121371216	67723862
Malate_13C_1	19569550	43577610	64504240	93760610	39449305	25710011	17116109	36259952	62585393	95749131	53618466	55524711	19075094	48359851	52800520	74042327	57474021	27377375	6309839	43455871	26241641	31221919	31784357	25051787	5334388	19228610	29373566	73066743	32046100	21719068	15249546	69222392	114866000	61269765	88845081	111720116	13647289	30107487	39194914	48758725	39347491	32259847	15460869	28599595	54871613	50085258	50663449	41874337	17096999	50432522	37843559	35795000	62890865	42367691
Malate_13C_2	366020	12680292	31353359	43306300	19215634	21991400	240361	9998638	25581035	28714754	21861149	30186131	343178	13848344	25654770	36531334	32166176	23088558	100235	11914938	10987968	14466318	14820690	16734824	139761	5125296	10874394	32035942	14556912	12020661	418438	33795602	53090923	64323295	50040513	65396086	115569	6399548	15630839	24552738	24004578	29599613	172782	4215591	24055175	19396743	22025667	25637907	216850	23750873	38922363	7730978	32485847	29802554
Malate_13C_3	86761	4941031	28166731	88690046	61851948	108298174	152909	4221753	22707845	65480971	60576273	124570821	114804	4689805	24941669	80104763	82088092	101016655	51117	1432172	6402667	25116737	37617684	54233376	146416	1324493	7204613	55818188	34777111	44465793	322273	10977344	24685172	70210968	68834340	124035914	49718	1893684	12940612	46612769	56422408	85039419	48295	1124533	19845769	32627414	44648010	64470706	65499	18741797	112603208	2787619	66304461	72492370
Malate_13C_4	457527	3720091	46026291	237392283	176775459	292610626	481717	2792506	34733439	137017145	149288716	298661746	553220	3247459	29123409	181733587	223822917	263809364	349193	770104	7279718	52555502	82973991	129724013	459061	839763	7310167	108685893	63548343	98225915	387890	5237467	16020023	74793336	79683693	156307455	277175	1080909	11977887	64111001	77774023	129984437	0	692892	17695779	42998931	59889425	88212917	111660	16045117	152624214	1346272	86931714	96395548
Phosphoenolpyruvate_13C_0	31425481	948821	480045	1434055	722391	1984825	11123069	182247	3257503	869275	98287	786541	22124467	721336	219800	895421	641810	628774	8875333	7545451	2548338	1402661	795949	1253035	14289386	4584852	5244560	3668342	2086851	894666	4344511	1135602	4868619	3942097	798639	1739171	22561445	136770	113319	155629	1618	1088010	12606153	788278	748540	199659	88689	756752	860521	60116	157152	28560	6678	0
Phosphoenolpyruvate_13C_1	722532	2342575	795867	1292589	575574	1481567	378708	357877	4967639	604098	59654	847344	712332	1860664	332787	759461	544526	548197	261800	12404678	2643861	961929	649095	744499	492216	4593288	11014414	3988794	1768108	561575	130588	1596844	7948267	4719245	913373	1851587	26647	0	1981	0	0	10512	463959	829676	1269116	183830	73506	687343	0	0	0	0	0	0
Phosphoenolpyruvate_13C_2	165629	931335	899382	4706469	3302333	11108657	94820	132142	5844415	1927565	320629	5002694	123800	820733	420909	3141912	2714091	4225911	71872	4211994	1775870	3468433	3168367	2918852	52126	2322837	8304670	10925811	6618875	2404990	157297	851033	5670644	9480835	2265612	3607923	8681	51248	267137	426579	22561	4969669	0	244500	1388280	352876	201801	1765154	103651	122741	922248	118974	120870	123294
Phosphoenolpyruvate_13C_3	0	920157	2598463	16810266	11873611	37834479	4479	213437	13012029	6047162	1009973	14697276	17149	857060	768320	9587041	9589170	12014412	12622	2863662	2455379	9276031	9598687	8518738	0	1169809	12268076	33263473	19533035	6664882	4072	618855	5568072	14967740	3426352	9820376	4212	19672	395520	805601	77074	9274250	0	118174	1871367	687586	429299	3155527	17750	171851	1732829	33624	123494	51684
Succinate_13C_0	35688690	39317534	47471721	78426112	48794276	40851903	38542451	33786956	54241959	45562606	25246141	22969806	40103129	36254876	32958249	47270401	42664340	41047789	18437103	22936197	67996819	4801029	25343307	7674697	16971199	15381439	19877594	22254481	18903797	23011651	9737234	13736160	14283276	24900364	13414565	16162516	39340392	38294393	40663939	33878104	30314251	27495923	29633526	42063592	52404800	41218533	35310475	35974954	51770928	51602335	38905672	50198795	45254856	46886963
Succinate_13C_1	1590529	1799764	2479039	4496714	2919428	2654580	1675728	1586182	2744675	2534356	1409992	1523801	1795778	1740542	1704448	2665925	2422544	2474669	876014	1148124	3036791	316422	1075954	379162	781754	650846	869508	1055151	844462	1160095	412043	593182	639181	1135990	663576	462788	1690122	1803041	2122500	1975545	1901812	1871517	1291422	1792119	2493532	1996996	1689751	1880457	2183500	2578343	2346419	2163192	2508889	2557229
Succinate_13C_2	29293	213671	1021839	3762866	3577764	4312040	19212	169244	774624	1415405	1145618	2241442	30230	180357	459535	1481188	1584686	2742886	18752	87950	34348	35104	22357	107171	29296	0	30812	189605	29430	437093	0	12181	0	55542	111936	130303	10474	59437	456247	873402	1269612	2038809	0	21006	587224	302754	440205	526061	12823	584773	1816507	60357	1100222	1556705
Succinate_13C_3	24813	28698	109038	1075253	1644457	3356678	0	8929	73991	383135	546414	1713915	0	0	63592	551108	794887	2055317	18276	63735		6918	7151	69648	14997	3713	12431	45206	17030	324716	0	0	17588	19021	55249	126920	0	0	36724	299953	682531	1676505	0	0	53633	95067	189986	398299	0	39988	1565909	0	424518	943611
Succinate_13C_4	693671	944175	1428883	2589360	4508412	9030544	135076	138413	119054	829895	1265008	4141117	211911	51480	53855	1185457	1989907	5438633	180988	878980	86273	135391	126450	220859	239330	139945	250385	642221	255913	698882	0	0	0	0	57914	152321	0	0	0	379623	855204	2333690	0	0	0	113872	270386	579679	0	0	2103933	0	482323	1121571
Sedoheptulose 7-phosphate_13C_0	67620826	1337843	953597	1519124	1294228	1166838	28586871	604540	1259496	1040815	291580	401497	46775843	1308997	531725	1305751	943642	1091292	19158330	2454797	1833510	1245609	1553201	881069	30746370	2821395	1990209	1002339	1560039	525905	24946432	3463879	2711635	3321513	1665818	2319961	67580992	767072	702051	1356451	195998	2320510	41543975	2802016	2225076	1461454	660255	1951370	7821332	218204	855373	304631	177552	95722
Sedoheptulose 7-phosphate_13C_1	5085102	3709983	411955	203972	121225	185540	2343799	1090084	671051	182999	17764	40423	3944857	3710176	374561	202530	81392	58455	1086714	5390486	798451	102188	124946	119498	1679835	5180838	1093623	186087	69530	56387	1696673	5098912	2616959	757931	423499	544489	5582008	1053720	293967	150477	0	277528	3082185	2098396	929103	271639	71614	274939	473997	208676	58539	539402	0	0
Sedoheptulose 7-phosphate_13C_2	62676	8536356	1151177	483783	239308	212160	0	2369813	1937109	388371	89158	134329	0	7580586	903139	452911	263980	79055	0	9525215	1901891	194861	135695	83138	0	6710620	3164825	426192	198128	70381	0	8694243	5533953	1484471	787571	713497	36530	1804760	820185	230525	0	360997	3739	4579853	2169257	330998	173461	489223	9187	399623	192403	683828	9616	7621
Sedoheptulose 7-phosphate_13C_3	9814	13524200	3098246	1685295	1006567	464279	0	4319644	4686931	1083063	310671	488640	0	12218964	2418385	1565806	813436	388483	0	12765815	3128583	572264	526463	346872	0	8063001	5826106	999249	655476	241109	928807	10252635	8589443	4054992	2154530	1890119	11731	2009289	2182690	699738	60230	1181674	6554	5737952	4875438	511642	372421	1224140	0	1087896	804453	758034	81778	0
Sedoheptulose 7-phosphate_13C_4	308179	9088773	6197777	4107375	2340352	1917080	0	2859765	8074670	2629739	651909	1482534	346557	10189759	4306478	3405322	2064044	1536304	0	6403304	4371285	1450078	1777673	853236	0	5206407	7169139	2477828	2022328	970968	88498	7589148	9605949	9166382	5060629	4387553	18789	1013765	2696582	1742990	285806	4301156	0	2031285	7695461	1918841	880878	2950865	12361	1380621	2452700	486772	304410	273467
Sedoheptulose 7-phosphate_13C_5	11405	6613034	12858193	13628928	9493179	7816426	12863	2196248	15112590	8276344	2871765	5960162	27392	7198761	7427477	10786843	7560724	5869994	0	3200283	7557591	5858147	5094295	2874641	0	2545654	12295271	5780235	5700507	4173225	0	4811690	8976897	17926243	10672266	9854578	8497	498266	3751107	4564735	742680	12552780	16209	1331544	9119208	4527935	2063914	8145050	0	1504377	5959879	315541	902997	606094
Sedoheptulose 7-phosphate_13C_6	0	2096524	14343719	36739602	30960076	27256368	6859	825852	13956807	18742846	7227061	20129240	311802	2550652	5717795	26809248	23142954	20565711	0	1286437	3831907	9788726	15275812	11972771	277711	777152	8111651	10243192	13558657	12120443	375018	1684923	5769965	22892128	15191087	14656587	484133	86707	2828425	8294972	1430030	22856146	0	419979	6874907	7073158	3474901	13701391	641369	1445950	10415893	557445	1659323	1377375
Sedoheptulose 7-phosphate_13C_7	0	890523	16002864	64863702	55883237	46983131	21977	416135	15075359	28651260	10209914	27741255	60505	1198226	4595681	38838767	37404543	30760067	0	286417	3995980	13383671	20611796	12090482	0	273935	5984091	13932572	18084131	12110522	0	509342	2424027	16147330	10768659	10828096	0	0	1710370	7234917	1164618	19305792	0	39674	4016986	5687721	2673274	10950723	130078	580883	11278701	26927	993105	859462
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	Metabolite	Number of 13C atoms
Alanine_13C_0	Alanine	0
Alanine_13C_1	Alanine	1
Alanine_13C_2	Alanine	2
Alanine_13C_3	Alanine	3
Arginine_13C_0	Arginine	0
Arginine_13C_1	Arginine	1
Arginine_13C_2	Arginine	2
Arginine_13C_3	Arginine	3
Arginine_13C_4	Arginine	4
Arginine_13C_5	Arginine	5
Arginine_13C_6	Arginine	6
Asparagine_13C_0	Asparagine	0
Asparagine_13C_1	Asparagine	1
Asparagine_13C_2	Asparagine	2
Asparagine_13C_3	Asparagine	3
Asparagine_13C_4	Asparagine	4
Aspartic acid_13C_0	Aspartic acid	0
Aspartic acid_13C_1	Aspartic acid	1
Aspartic acid_13C_2	Aspartic acid	2
Aspartic acid_13C_3	Aspartic acid	3
Aspartic acid_13C_4	Aspartic acid	4
Glutamic acid_13C_0	Glutamic acid	0
Glutamic acid_13C_1	Glutamic acid	1
Glutamic acid_13C_2	Glutamic acid	2
Glutamic acid_13C_3	Glutamic acid	3
Glutamic acid_13C_4	Glutamic acid	4
Glutamic acid_13C_5	Glutamic acid	5
Glutamine_13C_0	Glutamine	0
Glutamine_13C_1	Glutamine	1
Glutamine_13C_2	Glutamine	2
Glutamine_13C_3	Glutamine	3
Glutamine_13C_4	Glutamine	4
Glutamine_13C_5	Glutamine	5
Histidine_13C_0	Histidine	0
Histidine_13C_1	Histidine	1
Histidine_13C_2	Histidine	2
Histidine_13C_3	Histidine	3
Histidine_13C_4	Histidine	4
Histidine_13C_5	Histidine	5
Histidine_13C_6	Histidine	6
Isoleucine_13C_0	Isoleucine	0
Isoleucine_13C_1	Isoleucine	1
Isoleucine_13C_2	Isoleucine	2
Isoleucine_13C_3	Isoleucine	3
Isoleucine_13C_4	Isoleucine	4
Isoleucine_13C_5	Isoleucine	5
Isoleucine_13C_6	Isoleucine	6
Lysine_13C_0	Lysine	0
Lysine_13C_1	Lysine	1
Lysine_13C_2	Lysine	2
Lysine_13C_3	Lysine	3
Lysine_13C_4	Lysine	4
Lysine_13C_5	Lysine	5
Lysine_13C_6	Lysine	6
Methionine_13C_0	Methionine	0
Methionine_13C_1	Methionine	1
Methionine_13C_2	Methionine	2
Methionine_13C_3	Methionine	3
Methionine_13C_4	Methionine	4
Methionine_13C_5	Methionine	5
Phenylalanine_13C_0	Phenylalanine	0
Phenylalanine_13C_1	Phenylalanine	1
Phenylalanine_13C_2	Phenylalanine	2
Phenylalanine_13C_3	Phenylalanine	3
Phenylalanine_13C_4	Phenylalanine	4
Phenylalanine_13C_5	Phenylalanine	5
Phenylalanine_13C_6	Phenylalanine	6
Phenylalanine_13C_7	Phenylalanine	7
Phenylalanine_13C_8	Phenylalanine	8
Phenylalanine_13C_9	Phenylalanine	9
Proline_13C_0	Proline	0
Proline_13C_1	Proline	1
Proline_13C_2	Proline	2
Proline_13C_3	Proline	3
Proline_13C_4	Proline	4
Proline_13C_5	Proline	5
Serine_13C_0	Serine	0
Serine_13C_1	Serine	1
Serine_13C_2	Serine	2
Serine_13C_3	Serine	3
Threonine_13C_0	Threonine	0
Threonine_13C_1	Threonine	1
Threonine_13C_2	Threonine	2
Threonine_13C_3	Threonine	3
Threonine_13C_4	Threonine	4
Tyrosine_13C_0	Tyrosine	0
Tyrosine_13C_1	Tyrosine	1
Tyrosine_13C_2	Tyrosine	2
Tyrosine_13C_3	Tyrosine	3
Tyrosine_13C_4	Tyrosine	4
Tyrosine_13C_5	Tyrosine	5
Tyrosine_13C_6	Tyrosine	6
Tyrosine_13C_7	Tyrosine	7
Tyrosine_13C_8	Tyrosine	8
Tyrosine_13C_9	Tyrosine	9
Valine_13C_0	Valine	0
Valine_13C_1	Valine	1
Valine_13C_2	Valine	2
Valine_13C_3	Valine	3
Valine_13C_4	Valine	4
Valine_13C_5	Valine	5
3-phosphoglyceric acid_13C_0	3-phosphoglyceric acid	0
3-phosphoglyceric acid_13C_1	3-phosphoglyceric acid	1
3-phosphoglyceric acid_13C_2	3-phosphoglyceric acid	2
3-phosphoglyceric acid_13C_3	3-phosphoglyceric acid	3
Alpha-ketoglutaric acid_13C_0	Alpha-ketoglutaric acid	0
Alpha-ketoglutaric acid_13C_1	Alpha-ketoglutaric acid	1
Alpha-ketoglutaric acid_13C_2	Alpha-ketoglutaric acid	2
Alpha-ketoglutaric acid_13C_3	Alpha-ketoglutaric acid	3
Alpha-ketoglutaric acid_13C_4	Alpha-ketoglutaric acid	4
Alpha-ketoglutaric acid_13C_5	Alpha-ketoglutaric acid	5
Citrate_13C_0	Citrate	0
Citrate_13C_1	Citrate	1
Citrate_13C_2	Citrate	2
Citrate_13C_3	Citrate	3
Citrate_13C_4	Citrate	4
Citrate_13C_5	Citrate	5
Citrate_13C_6	Citrate	6
Triose phosphate_13C_0	Triose phosphate	0
Triose phosphate_13C_1	Triose phosphate	1
Triose phosphate_13C_2	Triose phosphate	2
Triose phosphate_13C_3	Triose phosphate	3
Erythrose-4-phosphate_13C_0	Erythrose-4-phosphate	0
Erythrose-4-phosphate_13C_1	Erythrose-4-phosphate	1
Erythrose-4-phosphate_13C_2	Erythrose-4-phosphate	2
Erythrose-4-phosphate_13C_3	Erythrose-4-phosphate	3
Erythrose-4-phosphate_13C_4	Erythrose-4-phosphate	4
Fumarate_13C_0	Fumarate	0
Fumarate_13C_1	Fumarate	1
Fumarate_13C_2	Fumarate	2
Fumarate_13C_3	Fumarate	3
Fumarate_13C_4	Fumarate	4
Glucose-6-phosphate_13C_0	Glucose-6-phosphate	0
Glucose-6-phosphate_13C_1	Glucose-6-phosphate	1
Glucose-6-phosphate_13C_2	Glucose-6-phosphate	2
Glucose-6-phosphate_13C_3	Glucose-6-phosphate	3
Glucose-6-phosphate_13C_4	Glucose-6-phosphate	4
Glucose-6-phosphate_13C_5	Glucose-6-phosphate	5
Glucose-6-phosphate_13C_6	Glucose-6-phosphate	6
Fructose-6-phosphate_13C_0	Fructose-6-phosphate	0
Fructose-6-phosphate_13C_1	Fructose-6-phosphate	1
Fructose-6-phosphate_13C_2	Fructose-6-phosphate	2
Fructose-6-phosphate_13C_3	Fructose-6-phosphate	3
Fructose-6-phosphate_13C_4	Fructose-6-phosphate	4
Fructose-6-phosphate_13C_5	Fructose-6-phosphate	5
Fructose-6-phosphate_13C_6	Fructose-6-phosphate	6
Malate_13C_0	Malate	0
Malate_13C_1	Malate	1
Malate_13C_2	Malate	2
Malate_13C_3	Malate	3
Malate_13C_4	Malate	4
Phosphoenolpyruvate_13C_0	Phosphoenolpyruvate	0
Phosphoenolpyruvate_13C_1	Phosphoenolpyruvate	1
Phosphoenolpyruvate_13C_2	Phosphoenolpyruvate	2
Phosphoenolpyruvate_13C_3	Phosphoenolpyruvate	3
Succinate_13C_0	Succinate	0
Succinate_13C_1	Succinate	1
Succinate_13C_2	Succinate	2
Succinate_13C_3	Succinate	3
Succinate_13C_4	Succinate	4
Sedoheptulose 7-phosphate_13C_0	Sedoheptulose-7-phosphate	0
Sedoheptulose 7-phosphate_13C_1	Sedoheptulose-7-phosphate	1
Sedoheptulose 7-phosphate_13C_2	Sedoheptulose-7-phosphate	2
Sedoheptulose 7-phosphate_13C_3	Sedoheptulose-7-phosphate	3
Sedoheptulose 7-phosphate_13C_4	Sedoheptulose-7-phosphate	4
Sedoheptulose 7-phosphate_13C_5	Sedoheptulose-7-phosphate	5
Sedoheptulose 7-phosphate_13C_6	Sedoheptulose-7-phosphate	6
Sedoheptulose 7-phosphate_13C_7	Sedoheptulose-7-phosphate	7
METABOLITES_END
#END