#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 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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 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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 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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 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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