#METABOLOMICS WORKBENCH ijochmans_20230717_021444 DATATRACK_ID:4166 STUDY_ID:ST002783 ANALYSIS_ID:AN004530 PROJECT_ID:PR001736 VERSION 1 CREATED_ON July 18, 2023, 9:42 am #PROJECT PR:PROJECT_TITLE Metabolic changes during normothermic isolated kidney perfusion PR:PROJECT_TYPE Experimental PR:PROJECT_SUMMARY Normothermic isolated kidney perfusion is being developed as a method to PR:PROJECT_SUMMARY preserve donor kidneys and to assess their future function before they are PR:PROJECT_SUMMARY transplanted. Donor kidneys can be exposed to different types and degrees of PR:PROJECT_SUMMARY ischemic injury before they are preserved. This project studies how the PR:PROJECT_SUMMARY metabolome changes in relation to different types and degrees of ischemia. PR:INSTITUTE KU Leuven PR:DEPARTMENT Microbiology, Immunology and Transplantation PR:LABORATORY Lab of Abdominal Transplantation PR:LAST_NAME Jochmans PR:FIRST_NAME Ina PR:ADDRESS Herestraat 49, Leuven, 3000, Belgium PR:EMAIL ina.jochmans@kuleuven.be PR:PHONE None PR:FUNDING_SOURCE FTBO, KOOR, FWO PR:CONTRIBUTORS Julie De Beule, Bart Ghesquière, Ina Jochmans #STUDY ST:STUDY_TITLE Metabolic changes of the pig kidney during isolated normothermic perfusion with ST:STUDY_TITLE autologous whole blood - perfusate ST:STUDY_SUMMARY This study investigates how glucose, lactate and 20 amino acids in the perfusate ST:STUDY_SUMMARY of normothermically perfused pig kidneys changes over time. It also studies how ST:STUDY_SUMMARY type and severity of ischemia before perfusion (cold or warm ischemia) change ST:STUDY_SUMMARY this profile. ST:INSTITUTE KU Leuven ST:DEPARTMENT Microbiology, Immunology and Transplantation ST:LABORATORY Lab of Abdominal Transplantation ST:LAST_NAME Jochmans ST:FIRST_NAME Ina ST:ADDRESS Herestraat 49, Leuven, 3000, Belgium ST:EMAIL ina.jochmans@kuleuven.be ST:NUM_GROUPS 3 ST:TOTAL_SUBJECTS 18 kidneys ST:NUM_MALES 9 male pigs ST:STUDY_TYPE Experimental ST:PHONE None #SUBJECT SU:SUBJECT_TYPE Mammal SU:SUBJECT_SPECIES Sus scrofa SU:TAXONOMY_ID 9823 SU:AGE_OR_AGE_RANGE ~4 months SU:WEIGHT_OR_WEIGHT_RANGE 35-45 kg SU:GENDER Male SU:ANIMAL_ANIMAL_SUPPLIER TOPIGS TN70, Tojapigs, the Netherlands SU:ANIMAL_LIGHT_CYCLE 12 hours SU:ANIMAL_WATER ad libitum #FACTORS #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 19 19_T0 Group:Control | Timepoint:0 RAW_FILE_NAME=19_T0.mzML SUBJECT_SAMPLE_FACTORS 19 19_T0.25 Group:Control | Timepoint:15 RAW_FILE_NAME=19_T0.25.mzML SUBJECT_SAMPLE_FACTORS 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RAW_FILE_NAME=75_T3.mzML SUBJECT_SAMPLE_FACTORS 75 75_T4 Group:CI | Timepoint:240 RAW_FILE_NAME=75_T4.mzML #COLLECTION CO:COLLECTION_SUMMARY Perfusate samples were collected in ethylenediaminetetraacetic acid (EDTA) CO:COLLECTION_SUMMARY tubes, at baseline (before the kidney was mounted on the normothermic perfusion CO:COLLECTION_SUMMARY device), every 15 minutes during the first hour and hourly thereafter. One CO:COLLECTION_SUMMARY milliliter perfusate aliquots (centrifuged 1000g, 10 minutes, 4°C) were snap CO:COLLECTION_SUMMARY frozen in liquid nitrogen and stored at -80°C until analysis. CO:SAMPLE_TYPE Perfusate CO:COLLECTION_FREQUENCY Baseline (T0) and during perfusion at 15 min (T0.25), 30 min (T0.50), 45 min CO:COLLECTION_FREQUENCY (T0.75), 1 hour (T1), 2 hours (T2), 3 hours (T3), 4 hours (T4) CO:STORAGE_CONDITIONS -80℃ CO:ADDITIVES EDTA #TREATMENT TR:TREATMENT_SUMMARY Three experimental conditions were investigated (n=6/group): (a) Controls; (b) TR:TREATMENT_SUMMARY warm ischemia (WI) simulating hypoxic acute kidney injury; (c) cold ischemia TR:TREATMENT_SUMMARY (CI) replicating clinical cold storage. Control kidneys were retrieved, flushed TR:TREATMENT_SUMMARY with cold IGL-1, and immediately reperfused. CI group, kidneys were exposed to TR:TREATMENT_SUMMARY 22h of CI by submerging them in IGL- 1 (a clinical preservation solution for TR:TREATMENT_SUMMARY cold storage) and storing them on ice. In WI, the renal artery and vein were TR:TREATMENT_SUMMARY clamped for 60 min before retrieval. In the All kidneys were flushed with 200 ml TR:TREATMENT_SUMMARY of Ringer’s solution before mounting them on the ex situ circuit to wash out TR:TREATMENT_SUMMARY IGL-1. TR:ANIMAL_ANESTHESIA Pigs were sedated by an intramuscular injection of Tiletamine/Zolazepam (8 TR:ANIMAL_ANESTHESIA mg/kg, Zoletil®, Virbac, Belgium) and Xylazine (2 mg/kg, Xylazine®, VMD TR:ANIMAL_ANESTHESIA pharma, Belgium) to allow orotracheal intubation. Anesthesia was maintained by TR:ANIMAL_ANESTHESIA inhalation of isoflurane (1% Isovet®, Piramal Critical Care B.V., Belgium) and TR:ANIMAL_ANESTHESIA continuous infusion of fentanyl (8 µg/kg, Fentanyl®, Janssen Pharmaceutica, TR:ANIMAL_ANESTHESIA Belgium). TR:ANIMAL_ACCLIMATION_DURATION Minimum of 2 days TR:ANIMAL_FASTING Overnight TR:ANIMAL_ENDP_EUTHANASIA Non-recovery study #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Samples were extracted in an 80% methanol (80:20 methanol:water) (Methanol SP:SAMPLEPREP_SUMMARY ≥99.9%, HiPerSolv CHROMANORM®, ULTRA for LC-MS, suitable for UPLC/UHPLC-MS SP:SAMPLEPREP_SUMMARY instruments, VWR, Belgium) extraction buffer containing 1 µM of deuterated D27 SP:SAMPLEPREP_SUMMARY myristic acid, 5 µM D12 glucose, 3 µM 13C5-D5-15N Glutamic acid and 3 µM SP:SAMPLEPREP_SUMMARY D7-15N4-Arginine as internal standards. 10 µl of sample was added to 990 µl of SP:SAMPLEPREP_SUMMARY the extraction buffer and stored overnight at -80 °C. Insolubilities and SP:SAMPLEPREP_SUMMARY precipitated proteins were removed by centrifugation at 20.000 g, for 15 min at SP:SAMPLEPREP_SUMMARY 4 °C. 200 µL of the supernatant was transferred to an appropriate SP:SAMPLEPREP_SUMMARY mass-spectrometry vial. 10 µl of sample was added to 990 µl of the extraction SP:SAMPLEPREP_SUMMARY buffer and stored overnight at -80 °C. SP:EXTRACT_STORAGE -80℃ #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY 10 µl was loaded onto an Ultra Performance Liquid Chromatograph (UPLC) equipped CH:CHROMATOGRAPHY_SUMMARY with a Hydrophilic Interaction Liquid Chromatography (HILIC) column (InfinityLab CH:CHROMATOGRAPHY_SUMMARY Poroshell 120 HILIC-Z PEEK-lined 2.1 x 150 mm, 2.7 µm column; Agilent, Santa CH:CHROMATOGRAPHY_SUMMARY Clara, USA)) and connected in-line to a Q-exactive Orbitrap Focus (Thermo Fisher CH:CHROMATOGRAPHY_SUMMARY Scientific, Massachusetts, USA) mass spectrometer. A linear gradient was built CH:CHROMATOGRAPHY_SUMMARY up starting with 90% solvent A (LC-MS grade acetonitrile, Acetonitrile CH:CHROMATOGRAPHY_SUMMARY hypergrade for LC-MS LiChrosolv, Supelco (Merck), Germany) and 10% solvent B (10 CH:CHROMATOGRAPHY_SUMMARY mM ammonium acetate (LiChropur™, eluent additive for LC-MS, (Merck), Germany), CH:CHROMATOGRAPHY_SUMMARY pH 9.3). At 2 min the gradient increased to 60% of solvent B and maintained at CH:CHROMATOGRAPHY_SUMMARY 60% until 15 min. The gradient returned to 10% solvent B at 16 min and remained CH:CHROMATOGRAPHY_SUMMARY until 25 min. The flow rate was 250 µl/min and the column was kept at 25°C CH:CHROMATOGRAPHY_SUMMARY throughout the analysis. The MS operated in negative ion mode, with a spray CH:CHROMATOGRAPHY_SUMMARY voltage of 2.9 kV and a temperature of the capillary of 325 °C. Gas settings CH:CHROMATOGRAPHY_SUMMARY were as follows: sheath gas 40 and auxiliary gas 15. The vaporizer temperature CH:CHROMATOGRAPHY_SUMMARY was set at 300 °C. A full scan (resolution of 70.000 and scan range of m/z CH:CHROMATOGRAPHY_SUMMARY 70-1050) was applied. XCalibur version to operate the LC-MS was 4.2.47. CH:CHROMATOGRAPHY_TYPE HILIC CH:INSTRUMENT_NAME Agilent 1290 Infinity CH:COLUMN_NAME Agilent InfinityLab Poroshell 120 (2.1 x 150 mm, 2.7 um) CH:SOLVENT_A 100% acetonitrile CH:SOLVENT_B 100% water; 10 mM ammonium acetate, pH 9.3 CH:FLOW_GRADIENT A linear gradient was built up starting with 90% solvent A and 10% solvent B. At CH:FLOW_GRADIENT 2 min the gradient increased to 60% of solvent B and maintained at 60% until 15 CH:FLOW_GRADIENT min. CH:FLOW_RATE 250 µl/min CH:COLUMN_TEMPERATURE 25°C #ANALYSIS AN:ANALYSIS_TYPE MS AN:LABORATORY_NAME Laboratory of Applied Mass Spectrometry, KU Leuven #MS MS:INSTRUMENT_NAME Thermo Q Exactive Focus MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE ESI MS:ION_MODE NEGATIVE MS:MS_COMMENTS Raw MS data were converted into mzML using the MSConvert tool of Proteowizard MS:MS_COMMENTS (version 3.0.20247). Peak picking was performed with El_Maven (El_Maven, MS:MS_COMMENTS Elucidata, Massachusetts, USA, version 0.12.0). Metabolites were identified MS:MS_COMMENTS using an in-house library containing exact mass and retention time. The mass MS:MS_COMMENTS accuracy during data processing in El Maven was set at 10 ppm. Calculation of MS:MS_COMMENTS abundances was done in the LC-MS Workflow of El_Maven. Raw abundances (peak area MS:MS_COMMENTS values) for each metabolite were corrected for internal standard (Myristic acid MS:MS_COMMENTS d27). #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Peak area MS_METABOLITE_DATA_START Samples 19_T0 19_T0.25 19_T0.50 19_T0.75 19_T1 19_T2 19_T3 19_T4 20_T0 20_T0.25 20_T0.50 20_T0.75 20_T1 20_T2 20_T3 20_T4 28_T0 28_T0.25 28_T0.50 28_T0.75 28_T1 28_T2 28_T3 28_T4 29_T0 29_T0.25 29_T0.50 29_T0.75 29_T1 29_T2 29_T3 29_T4 30_T0 30_T0.25 30_T0.50 30_T0.75 30_T1 30_T2 30_T3 30_T4 31_T0 31_T0.25 31_T0.50 31_T0.75 31_T1 31_T2 31_T3 31_T4 32_T0 32_T0.25 32_T0.50 32_T0.75 32_T1 32_T2 32_T3 32_T4 33_T0 33_T0.25 33_T0.50 33_T0.75 33_T1 33_T2 33_T3 33_T4 34_T0 34_T0.25 34_T0.50 34_T0.75 34_T1 34_T2 34_T3 34_T4 67_T0 67_T0.25 67_T0.50 67_T0.75 67_T1 67_T2 67_T3 67_T4 68_T0 68_T0.25 68_T0.50 68_T0.75 68_T1 68_T2 68_T3 68_T4 69_T0 69_T0.25 69_T0.50 69_T0.75 69_T1 69_T2 69_T3 69_T4 70_T0 70_T0.25 70_T0.50 70_T0.75 70_T1 70_T2 70_T3 70_T4 71_T0 71_T0.25 71_T0.50 71_T0.75 71_T1 71_T2 71_T3 71_T4 72_T0 72_T0.25 72_T0.50 72_T0.75 72_T1 72_T2 72_T3 72_T4 73_T0 73_T0.25 73_T0.50 73_T0.75 73_T1 73_T2 73_T3 73_T4 75_T0 75_T0.25 75_T0.50 75_T0.75 75_T1 75_T2 75_T3 75_T4 76_T0 76_T0.25 76_T0.50 76_T0.75 76_T1 76_T2 76_T3 76_T4 Factors Group:Control | Timepoint:0 Group:Control | Timepoint:15 Group:Control | Timepoint:30 Group:Control | Timepoint:45 Group:Control | Timepoint:60 Group:Control | Timepoint:120 Group:Control | Timepoint:180 Group:Control | Timepoint:240 Group:WI | Timepoint:0 Group:WI | Timepoint:15 Group:WI | Timepoint:30 Group:WI | Timepoint:45 Group:WI | Timepoint:60 Group:WI | Timepoint:120 Group:WI | Timepoint:180 Group:WI | Timepoint:240 Group:WI | Timepoint:0 Group:WI | Timepoint:15 Group:WI | Timepoint:30 Group:WI | Timepoint:45 Group:WI | Timepoint:60 Group:WI | Timepoint:120 Group:WI | Timepoint:180 Group:WI | Timepoint:240 Group:CI | Timepoint:0 Group:CI | Timepoint:15 Group:CI | Timepoint:30 Group:CI | Timepoint:45 Group:CI | Timepoint:60 Group:CI | Timepoint:120 Group:CI | Timepoint:180 Group:CI | Timepoint:240 Group:CI | Timepoint:0 Group:CI | Timepoint:15 Group:CI | Timepoint:30 Group:CI | Timepoint:45 Group:CI | Timepoint:60 Group:CI | Timepoint:120 Group:CI | Timepoint:180 Group:CI | Timepoint:240 Group:Control | Timepoint:0 Group:Control | Timepoint:15 Group:Control | Timepoint:30 Group:Control | Timepoint:45 Group:Control | Timepoint:60 Group:Control | Timepoint:120 Group:Control | Timepoint:180 Group:Control | Timepoint:240 Group:WI | Timepoint:0 Group:WI | Timepoint:15 Group:WI | Timepoint:30 Group:WI | Timepoint:45 Group:WI | Timepoint:60 Group:WI | Timepoint:120 Group:WI | Timepoint:180 Group:WI | Timepoint:240 Group:CI | Timepoint:0 Group:CI | Timepoint:15 Group:CI | Timepoint:30 Group:CI | Timepoint:45 Group:CI | Timepoint:60 Group:CI | Timepoint:120 Group:CI | Timepoint:180 Group:CI | Timepoint:240 Group:Control | Timepoint:0 Group:Control | Timepoint:15 Group:Control | Timepoint:30 Group:Control | Timepoint:45 Group:Control | Timepoint:60 Group:Control | Timepoint:120 Group:Control | Timepoint:180 Group:Control | Timepoint:240 Group:Control | Timepoint:0 Group:Control | Timepoint:15 Group:Control | Timepoint:30 Group:Control | Timepoint:45 Group:Control | Timepoint:60 Group:Control | Timepoint:120 Group:Control | Timepoint:180 Group:Control | Timepoint:240 Group:WI | Timepoint:0 Group:WI | Timepoint:15 Group:WI | Timepoint:30 Group:WI | Timepoint:45 Group:WI | Timepoint:60 Group:WI | Timepoint:120 Group:WI | Timepoint:180 Group:WI | Timepoint:240 Group:WI | Timepoint:0 Group:WI | Timepoint:15 Group:WI | Timepoint:30 Group:WI | Timepoint:45 Group:WI | Timepoint:60 Group:WI | Timepoint:120 Group:WI | Timepoint:180 Group:WI | Timepoint:240 Group:Control | Timepoint:0 Group:Control | Timepoint:15 Group:Control | Timepoint:30 Group:Control | Timepoint:45 Group:Control | Timepoint:60 Group:Control | Timepoint:120 Group:Control | Timepoint:180 Group:Control | Timepoint:240 Group:CI | Timepoint:0 Group:CI | Timepoint:15 Group:CI | Timepoint:30 Group:CI | Timepoint:45 Group:CI | Timepoint:60 Group:CI | Timepoint:120 Group:CI | Timepoint:180 Group:CI | Timepoint:240 Group:CI | Timepoint:0 Group:CI | Timepoint:15 Group:CI | Timepoint:30 Group:CI | Timepoint:45 Group:CI | Timepoint:60 Group:CI | Timepoint:120 Group:CI | Timepoint:180 Group:CI | Timepoint:240 Group:WI | Timepoint:0 Group:WI | Timepoint:15 Group:WI | Timepoint:30 Group:WI | Timepoint:45 Group:WI | Timepoint:60 Group:WI | Timepoint:120 Group:WI | Timepoint:180 Group:WI | Timepoint:240 Group:CI | Timepoint:0 Group:CI | Timepoint:15 Group:CI | Timepoint:30 Group:CI | Timepoint:45 Group:CI | Timepoint:60 Group:CI | Timepoint:120 Group:CI | Timepoint:180 Group:CI | Timepoint:240 Group:Control | Timepoint:0 Group:Control | Timepoint:15 Group:Control | Timepoint:30 Group:Control | Timepoint:45 Group:Control | Timepoint:60 Group:Control | Timepoint:120 Group:Control | Timepoint:180 Group:Control | Timepoint:240 Glucose 0.308721321 1.296495093 1.445917395 1.453830346 1.54673487 1.390770361 1.109583992 0.658479161 1.219949369 1.010363776 1.107939753 1.225254754 0.959756447 0.811966277 0.721584913 0.56854029 1.349911481 1.352298396 1.167542127 1.371371737 1.190826728 1.231167979 1.107924971 0.898153895 0.716212208 1.370029475 1.245663692 1.461211542 1.828383374 1.241387839 1.214612894 0.667761003 1.197379562 1.323696997 1.27331539 1.415982835 1.122908699 1.340282998 1.045880448 0.612309728 0.374901755 0.856109438 1.209759545 1.372239272 1.662820939 1.308729914 1.302579681 0.985977139 0.846385084 0.774082882 0.832157306 0.763822763 0.859357327 0.940517468 0.436625799 0.923114578 0.851318484 1.227814684 1.193011726 1.101477101 1.201963292 0.759298619 0.425337251 0.379905312 0.912355384 1.282574206 1.368259849 1.586582624 1.445363453 1.43682621 1.245814703 0.556539742 0.856003116 0.947925277 1.154134745 1.247789282 1.212868613 1.301935664 1.10745834 1.112715017 0.799111821 0.640938774 0.679094865 0.73114587 0.750517283 0.864174259 0.785541976 0.598811522 0.804285066 0.603124952 0.598921269 0.637012844 0.674530597 0.683538043 0.480692006 0.31921882 0.87876741 0.908506059 1.13571251 1.157954117 1.172912465 1.264784989 1.263354819 0.977104335 0.96495871 0.998585455 1.075681781 1.335957258 1.406115313 1.394745381 1.281306238 0.796970626 0.876058349 1.011361 1.132554338 1.212056873 1.327521411 1.241487428 0.99497532 0.777171374 1.013115698 0.987460843 0.866163073 0.634176858 0.671679353 0.7338949 0.60478632 0.432001367 0.83260473 0.902972643 1.111678092 1.12989171 1.293864931 1.058280037 0.873654164 0.649860071 0.887089513 0.924295283 0.988877401 1.171910887 1.208845578 1.362676901 1.51955887 1.470712277 Lactate 1.183963625 3.682377597 3.375547147 2.40596111 2.42132538 4.361698434 6.545299494 8.037728662 3.222066097 4.186145559 6.444381933 8.703076755 9.019878044 12.38106045 14.7425451 20.12807026 2.926523681 6.797258439 7.097468108 9.566081144 9.529087095 11.54663348 16.4757707 20.71909633 3.026414971 6.595633223 6.56755606 7.53113916 9.749734474 7.856713269 14.21281079 14.92584162 4.234099225 6.374102915 6.829398203 8.520018444 6.614565327 8.695056725 11.64333464 11.63071475 1.126609374 2.038229813 2.360149165 2.38478296 2.351530951 3.585469735 8.186754345 11.97070657 1.622035975 3.26969496 5.231592495 6.217913771 7.168396637 7.770812302 4.824618502 14.45053675 2.484681013 7.169535493 9.080742608 8.958828318 9.412761652 8.814596192 11.12348231 25.91772503 1.255383803 1.964008095 1.354784572 1.755425691 2.078374474 4.966921932 14.52564352 13.67394081 1.310121657 1.163177911 0.51465814 0.39148444 0.484276754 1.741063298 3.370650785 3.795648765 1.036052064 5.127150411 4.957863772 5.552218199 5.666831004 6.087826113 8.207052157 11.506765 0.847554475 4.392009987 5.602603865 6.400057122 6.32482031 7.011221013 8.132260145 9.66659665 0.867332938 0.887919556 0.383483902 0.286113135 0.352095826 1.006717099 1.786601835 3.748960736 1.823252002 2.840984244 2.386962007 1.737441353 1.18769903 1.839241117 6.274894915 10.38412509 1.741660144 2.510724727 1.868977466 1.30759155 0.979654143 2.574859667 5.723488941 8.446861303 1.120673953 2.506208676 3.639686529 3.625077736 5.45347485 7.93784421 9.985089885 11.89136219 1.258983321 1.713113608 1.156948677 0.706786824 0.79416204 2.310319316 5.652013653 9.177698215 0.848792694 0.585892938 0.222005269 0.139779831 0.211050341 0.654951417 1.443623083 2.539046533 Gly 0.004553946 0.030976335 0.036234025 0.036997152 0.040078414 0.042567394 0.043663595 0.041686801 0.015697594 0.018727013 0.030368412 0.041110426 0.038575185 0.048165453 0.050159426 0.057367212 0.016597943 0.026890236 0.027781663 0.036780574 0.035861795 0.040371657 0.04480069 0.045879378 0.009310182 0.030879319 0.032310215 0.03830323 0.050208598 0.03526438 0.042995769 0.038806778 0.015381361 0.027504502 0.031487388 0.038464525 0.030876461 0.037564327 0.036184802 0.032540744 0.005567328 0.026131454 0.03790629 0.048538556 0.056062313 0.044162897 0.049653927 0.043669097 0.010773988 0.018711057 0.031322755 0.034487302 0.040088597 0.041958837 0.021219579 0.049098121 0.00908334 0.032312399 0.04110377 0.039016915 0.042582937 0.033187214 0.030818735 0.060691651 0.007830739 0.034322489 0.04140541 0.054590416 0.052854735 0.05413185 0.068162591 0.048851917 0.009706639 0.032010237 0.038159362 0.040274097 0.042786516 0.051562327 0.047816829 0.050314515 0.008183229 0.033365559 0.033948052 0.039526259 0.04125014 0.044376576 0.045422343 0.048416634 0.009045392 0.026934358 0.034436425 0.036964489 0.036737739 0.03951643 0.040699299 0.043535267 0.010167098 0.024515271 0.033325544 0.033855165 0.034550468 0.043970568 0.049379144 0.052214446 0.011768821 0.022560882 0.024429132 0.026825631 0.025814284 0.02494947 0.028708009 0.028415937 0.010597662 0.021625028 0.023716069 0.022613741 0.022988385 0.02093798 0.019817281 0.020220906 0.01243476 0.022780396 0.028035936 0.025928496 0.033721599 0.039861124 0.040159915 0.041885332 0.008843562 0.020732052 0.025398821 0.024824911 0.02727562 0.0252523 0.029728638 0.03095661 0.008454875 0.023584339 0.026179804 0.030291274 0.03152814 0.039057132 0.04310873 0.042376381 Gln 0.194000792 0.426089332 0.447392811 0.492878909 0.52334857 0.256785816 0.188950723 0.100932568 0.486521327 0.423667162 0.441959623 0.523552614 0.426009587 0.302153547 0.331980643 0.373730115 0.482857912 0.445879562 0.4032899 0.407363211 0.308441762 0.270222822 0.371574982 0.407128444 0.311093451 0.214189693 0.121998805 0.099820627 0.105402446 0.061240125 0.064939708 0.056239458 0.482052753 0.257737149 0.161519236 0.137780515 0.091253346 0.071591589 0.057657552 0.050349924 0.247755083 0.238553321 0.115505759 0.062108981 0.049662387 0.022510608 0.033114769 0.037923215 0.463109858 0.383760167 0.369237474 0.272057411 0.22946279 0.097189328 0.035792949 0.067350759 0.421877687 0.439002905 0.253683318 0.11489191 0.087507532 0.060412587 0.066099699 0.155049847 0.442317619 0.242735635 0.104904633 0.084048696 0.059879088 0.040996066 0.062897602 0.045467954 0.359813507 0.233284813 0.286738552 0.303466794 0.193605349 0.046511524 0.038977698 0.067019557 0.368307401 0.181624607 0.186546509 0.148571525 0.125172136 0.156153605 0.169387678 0.19206408 0.368041595 0.176370329 0.167793044 0.151191748 0.151982632 0.136162767 0.112510274 0.119814151 0.400652783 0.284023415 0.372810387 0.388587623 0.302562347 0.051222579 0.093560487 0.116782594 0.379974195 0.106772819 0.044491866 0.037656359 0.038077142 0.036552458 0.050621996 0.079849969 0.36796365 0.125521881 0.056281532 0.040242313 0.038966309 0.02701735 0.026214757 0.031428219 0.392178412 0.292500955 0.25452802 0.190194694 0.18476869 0.175511885 0.181084398 0.174666672 0.386853263 0.231963449 0.272291408 0.273952877 0.274961899 0.158569186 0.154455258 0.157031829 0.356220578 0.258301986 0.26625326 0.294974211 0.227935125 0.056768643 0.070577531 0.079530454 Lys 0.014097804 0.027783049 0.039510897 0.050973648 0.065318511 0.103458887 0.134847959 0.145739068 0.018181482 0.020477742 0.026015652 0.032525151 0.030638017 0.041402524 0.050242254 0.061721955 0.018163992 0.026635223 0.025759752 0.036451262 0.036929948 0.049023987 0.05716942 0.062634633 0.018398212 0.039751337 0.048263001 0.061737759 0.088264449 0.082256886 0.123716215 0.12355835 0.023441126 0.03594854 0.045494473 0.06049933 0.054393087 0.085670747 0.102526765 0.099812568 0.018761204 0.034158288 0.050935672 0.069144187 0.091108995 0.092576324 0.118951654 0.117564696 0.026335793 0.030938869 0.040190747 0.043084817 0.051384166 0.062433009 0.036008896 0.087805426 0.03149799 0.060222941 0.070520271 0.072126058 0.080250774 0.067868939 0.067941239 0.134257271 0.029989743 0.054379226 0.064449773 0.087382937 0.089320737 0.125818673 0.176942411 0.152973627 0.031587605 0.044535077 0.060625847 0.07228062 0.068752425 0.099743876 0.109247802 0.127973075 0.030263027 0.040416253 0.041301295 0.043118596 0.048588952 0.058995907 0.063535614 0.063717437 0.028228944 0.037106983 0.042427616 0.045636413 0.049201953 0.058490951 0.058943198 0.068301731 0.030153561 0.037609103 0.048812961 0.059405643 0.066569422 0.092948344 0.122912082 0.132604807 0.036410569 0.050781987 0.056464773 0.067235556 0.069993314 0.071608577 0.081271624 0.077711205 0.035716967 0.049684434 0.055332211 0.057243829 0.061902507 0.063499852 0.054450345 0.063695717 0.031411808 0.033207813 0.035317876 0.02470061 0.031590332 0.049961335 0.055474087 0.060888613 0.029445279 0.040035936 0.050305959 0.050463861 0.060788923 0.061969186 0.067352629 0.072460328 0.029805883 0.03708214 0.042933494 0.058356422 0.065313642 0.090447079 0.121394301 0.132932893 Met 0.002366568 0.023241043 0.03806907 0.053133172 0.072853073 0.123226417 0.174506567 0.204742193 0.010065069 0.010996067 0.019879235 0.028399342 0.028464125 0.050380121 0.068569823 0.086106575 0.008617649 0.019522564 0.019941298 0.029583466 0.034348734 0.054903702 0.065824459 0.075379022 0.006571899 0.031797948 0.045329494 0.066433517 0.101297873 0.102978202 0.166113089 0.161435553 0.010967511 0.027113674 0.041979452 0.064346059 0.059036712 0.109208841 0.134344171 0.128732419 0.004537324 0.018095369 0.033635646 0.052581727 0.076474271 0.086867583 0.120111269 0.134300104 0.009431901 0.015907488 0.025956587 0.032094887 0.044406858 0.064818963 0.036020849 0.106752094 0.013285577 0.033367794 0.0464398 0.054040976 0.068533367 0.069446701 0.08215254 0.169675864 0.012496468 0.030817343 0.043193495 0.064145054 0.068635168 0.112825948 0.181506132 0.154737283 0.011206227 0.027678699 0.049734269 0.067059808 0.076318201 0.104562491 0.120911644 0.142875443 0.009510787 0.029819091 0.030527449 0.038678456 0.046250875 0.065235231 0.073713747 0.07702566 0.007724385 0.020726632 0.029595361 0.039367601 0.045318112 0.064128874 0.071399366 0.081524519 0.008750039 0.020188098 0.039337736 0.048837824 0.057482179 0.094715156 0.137431989 0.154291214 0.015374714 0.034746958 0.049134852 0.067918309 0.076971991 0.092488663 0.113807976 0.106983816 0.014460756 0.032194194 0.046937993 0.056619013 0.067338793 0.084580306 0.097200629 0.107006045 0.010109204 0.0169464 0.021620499 0.019744158 0.028730532 0.051505152 0.060617994 0.069223388 0.0101984 0.028185979 0.046299406 0.054350964 0.070521769 0.079661634 0.090635442 0.101457084 0.010186405 0.022715084 0.034765847 0.052624854 0.065131557 0.102630108 0.147687646 0.176517345 Phe 0.011645969 0.089381766 0.149104518 0.201574311 0.262370289 0.409195113 0.550165081 0.625135621 0.04879581 0.05114313 0.07796543 0.102134256 0.093589389 0.139224981 0.173720401 0.216613998 0.050008437 0.089393789 0.085143093 0.116213651 0.117447659 0.169266316 0.193969253 0.223107956 0.032367517 0.122987522 0.170145596 0.241707178 0.357799852 0.344121287 0.543184956 0.534675978 0.054550367 0.107476692 0.152768988 0.227136116 0.206821442 0.372361424 0.45513351 0.420019446 0.027902535 0.094843648 0.171574051 0.249607967 0.350353301 0.371579224 0.494432211 0.558486825 0.063199581 0.087758422 0.118992768 0.132451137 0.170085249 0.230258713 0.126817357 0.368162175 0.070823158 0.155175703 0.197128853 0.22718475 0.28387233 0.254112655 0.248062184 0.518686621 0.066274732 0.140388506 0.194527797 0.280806358 0.299166598 0.45830876 0.672768095 0.548831176 0.056689681 0.117728143 0.203687359 0.269069461 0.299910033 0.403721277 0.466334923 0.543742899 0.049673317 0.11139277 0.10964728 0.134659115 0.155115998 0.208367462 0.2292903 0.246710099 0.066788028 0.119027792 0.140763488 0.170374946 0.185084974 0.240319053 0.269663432 0.303271481 0.071379711 0.11801974 0.209560959 0.247771679 0.276155905 0.438030416 0.621506801 0.676601474 0.07799795 0.13142418 0.176552035 0.232299379 0.255426501 0.301754453 0.352923119 0.328398866 0.071640238 0.12370335 0.175134727 0.203181611 0.233058485 0.269924327 0.303765362 0.333713118 0.06211117 0.07117183 0.080127008 0.070976033 0.097227747 0.164429443 0.197317746 0.233076624 0.045524893 0.107245794 0.174718917 0.204038687 0.256625624 0.26681014 0.300269749 0.335623522 0.045250948 0.094865695 0.144594826 0.215900751 0.267366256 0.436303579 0.642022467 0.776530833 Pro 0.006558646 0.037209862 0.046757588 0.050990289 0.055995455 0.061831201 0.067093775 0.070257009 0.025422652 0.023887483 0.03339804 0.042534654 0.038846338 0.050774771 0.056428038 0.067439087 0.021516325 0.030112175 0.030070071 0.039081691 0.038529986 0.047905508 0.054567068 0.059784405 0.012685382 0.035259966 0.041729245 0.054965454 0.077429516 0.063134766 0.089321389 0.085010671 0.021077101 0.032783933 0.040042528 0.054313023 0.04754265 0.06893932 0.075907192 0.069945254 0.00771279 0.023573042 0.036467374 0.050065943 0.064770606 0.056853528 0.070649454 0.077857423 0.016610118 0.019539112 0.027690949 0.03016504 0.037742619 0.046912136 0.025360976 0.066500945 0.018547907 0.039545873 0.049229052 0.050181759 0.058024439 0.048269142 0.048268561 0.096867864 0.017712208 0.039059687 0.046903149 0.060803786 0.059172365 0.068479512 0.101469168 0.082358119 0.01401835 0.026870669 0.038269324 0.042141911 0.040510683 0.036940649 0.037071261 0.04019293 0.011423377 0.024506406 0.024445813 0.028147928 0.029985476 0.034372203 0.034110541 0.03659375 0.013077905 0.024401901 0.0285151 0.033109837 0.034989759 0.040543449 0.040293219 0.041754104 0.014531415 0.023895122 0.035484368 0.036566487 0.035965384 0.037757817 0.035777276 0.033001373 0.01596524 0.023973472 0.02965406 0.036275567 0.03734641 0.03343872 0.038251722 0.037835925 0.014713307 0.022893444 0.028870357 0.031624627 0.033092728 0.030479275 0.032132731 0.035768492 0.015156123 0.019879405 0.022660977 0.020127315 0.0267457 0.037714632 0.041690483 0.046356799 0.011949129 0.02181429 0.031328137 0.03352082 0.038381993 0.034179547 0.037357908 0.042785099 0.011136417 0.021523967 0.027731026 0.035079117 0.038569824 0.046377556 0.050266713 0.048085806 Ser 0.002156948 0.041268367 0.071015362 0.091992902 0.120706058 0.156630783 0.15398568 0.148817944 0.006700392 0.007599515 0.014099033 0.021038067 0.023356114 0.056739926 0.073136609 0.090046197 0.005564486 0.013132441 0.016002302 0.028249875 0.039303919 0.069508611 0.077455142 0.08949341 0.004518652 0.04038164 0.064329894 0.09438487 0.138160253 0.116978796 0.147226782 0.118985608 0.006519915 0.032343086 0.057571326 0.089370927 0.083954191 0.127080831 0.124193292 0.099255034 0.003541239 0.02829982 0.060987587 0.094540723 0.126134731 0.112832376 0.120914836 0.105725477 0.006519452 0.010660637 0.02082088 0.031866403 0.048274303 0.074863906 0.044470438 0.10109225 0.007227767 0.032319264 0.068732731 0.08887156 0.110085792 0.098477521 0.094904623 0.179497459 0.006326946 0.057958419 0.100416779 0.147308989 0.148442318 0.181825446 0.207060988 0.163295383 0.004887389 0.041391361 0.081817368 0.103605199 0.110846653 0.138448202 0.129668297 0.137852218 0.004667638 0.014957333 0.022433844 0.033578395 0.041414613 0.056000077 0.065302143 0.068216601 0.005298695 0.014394844 0.024421173 0.032186876 0.037646297 0.054920813 0.059773261 0.06560319 0.00535178 0.034150698 0.07088999 0.087530856 0.099729192 0.132508357 0.133209763 0.118326892 0.006249233 0.031890637 0.053361345 0.075041329 0.082642777 0.083743546 0.088984489 0.07727092 0.005950813 0.036485594 0.058940236 0.070020423 0.07714074 0.067512453 0.059127208 0.057127438 0.019558666 0.00844782 0.012510799 0.012567587 0.02144105 0.041640466 0.048657893 0.055258007 0.003414138 0.030886423 0.055661754 0.066328823 0.082121711 0.075882635 0.075801975 0.074524132 0.0034808 0.028886675 0.046465169 0.066977967 0.077529985 0.101699893 0.103976627 0.090208597 Thr 0.00664271 0.041155964 0.06627489 0.090554544 0.11850707 0.187074324 0.241587406 0.270812367 0.027725062 0.026839821 0.038719471 0.051145379 0.044266671 0.058584557 0.075455474 0.09620641 0.015567409 0.028569999 0.027531192 0.036769586 0.037615064 0.056013469 0.068474728 0.081272998 0.007399302 0.032406465 0.049557084 0.078567514 0.122355778 0.125768205 0.1920802 0.192504629 0.012733808 0.030125626 0.050199784 0.075844936 0.072348988 0.133797041 0.162416185 0.156892606 0.013948225 0.039190515 0.06418104 0.099560811 0.135843539 0.144825633 0.193735236 0.214904933 0.029786335 0.036643638 0.048530698 0.050377626 0.061743393 0.086177789 0.049967686 0.133814086 0.033903495 0.066350617 0.083537846 0.088983731 0.108704097 0.091552805 0.098837473 0.215130281 0.031980907 0.065486901 0.083504364 0.121003525 0.123120791 0.172955008 0.257677166 0.22586695 0.016966314 0.043010214 0.076399617 0.088051291 0.090815401 0.137142311 0.144827641 0.186895503 0.015312684 0.035048518 0.035949852 0.039481919 0.047566323 0.063351933 0.078420312 0.080957302 0.013767776 0.02874954 0.037170967 0.040817656 0.049041704 0.061640978 0.064052655 0.075359452 0.014825216 0.031629548 0.049235344 0.059485104 0.076576168 0.116160226 0.152619823 0.169728016 0.024939427 0.042658392 0.052083699 0.068743313 0.070508327 0.077055388 0.10409058 0.090841973 0.021241039 0.037922885 0.050113467 0.057363054 0.062312593 0.067298423 0.072595933 0.080986893 0.029395321 0.028752126 0.032298791 0.024206558 0.032918227 0.056368053 0.064667855 0.07563799 0.014040014 0.033581957 0.0543725 0.056683858 0.072072357 0.078053755 0.085688806 0.094548373 0.014698932 0.028978443 0.043142334 0.066486756 0.0810063 0.12419812 0.158110381 0.18030425 Trp 0.004119897 0.029374951 0.043639333 0.062388626 0.085080169 0.146522859 0.200438805 0.215484426 0.017357712 0.017804736 0.0264998 0.034576812 0.031831105 0.04539806 0.05772141 0.071946871 0.012574705 0.022451405 0.021838981 0.029511782 0.030638189 0.045450441 0.054004091 0.059689391 0.009769383 0.036303804 0.048398681 0.070190526 0.112218454 0.111723993 0.163933557 0.147679883 0.017472442 0.031909427 0.045162237 0.066746685 0.062531083 0.117909385 0.132036431 0.117206998 0.013543118 0.03928284 0.06035792 0.082627793 0.119836844 0.126676889 0.16720545 0.161605581 0.030456791 0.035964855 0.046635147 0.048392862 0.061004876 0.079791143 0.040821833 0.120487919 0.031330422 0.057948999 0.069610422 0.072760628 0.087519418 0.081249225 0.080944325 0.15047807 0.030572906 0.053495366 0.064570054 0.090505478 0.097538969 0.149193823 0.214782225 0.162127674 0.030415034 0.045698294 0.071156602 0.097731743 0.1058016 0.142771895 0.160219317 0.178848762 0.025924009 0.041510565 0.041366892 0.049612226 0.053424542 0.076315987 0.082555309 0.0841342 0.031016183 0.04325253 0.049424384 0.059460328 0.063129241 0.090250877 0.096000688 0.102805821 0.035846348 0.042761284 0.070799006 0.086724632 0.094514716 0.146599832 0.208114712 0.224805555 0.03682517 0.050757097 0.063117434 0.081780899 0.095436236 0.112811714 0.124926488 0.106684789 0.035802934 0.048873725 0.062245688 0.072093097 0.087613571 0.103295227 0.10810437 0.108541181 0.026812314 0.033249354 0.033967518 0.027802888 0.036824933 0.05685032 0.068364012 0.076253572 0.028833202 0.042379676 0.061683159 0.076125183 0.097845797 0.101207064 0.10907679 0.113565039 0.027873181 0.038422658 0.050559572 0.074688212 0.092155319 0.147405758 0.216019767 0.27307498 Tyr 0.003941523 0.032548942 0.056249033 0.078457763 0.105866944 0.191442516 0.278972264 0.336509873 0.014915119 0.016527323 0.028102765 0.0391403 0.038241391 0.060425074 0.077165607 0.097410807 0.012360227 0.026484725 0.027590458 0.038469548 0.040836962 0.061371897 0.073704416 0.084431624 0.008369835 0.037009395 0.056184935 0.083212709 0.127967434 0.131048159 0.203655736 0.199837949 0.013957864 0.031763824 0.049854657 0.078822355 0.073129579 0.136835178 0.167065111 0.162938191 0.009039221 0.031688731 0.055419271 0.086147124 0.122352014 0.135946979 0.189953562 0.212102275 0.019618906 0.029520813 0.042913244 0.04921616 0.063403156 0.089229669 0.048379943 0.146609681 0.025270033 0.058354972 0.076187948 0.084206305 0.104889311 0.097580843 0.10331346 0.20499175 0.024585008 0.053270062 0.073435952 0.104199926 0.109877692 0.169079031 0.260454424 0.222093703 0.020344132 0.04581205 0.079088195 0.103375368 0.118011323 0.171132188 0.201460079 0.250781764 0.017342891 0.045225152 0.044592131 0.054047469 0.063004124 0.085127881 0.095314314 0.101799037 0.014515662 0.033870376 0.042931981 0.054108296 0.059090667 0.079076724 0.091126081 0.10296806 0.016421633 0.03234768 0.061117945 0.073149162 0.085130373 0.144169096 0.212057852 0.242439742 0.023030255 0.045246052 0.062734396 0.08503449 0.093632564 0.116480873 0.140631229 0.133884564 0.021483844 0.042822572 0.061671268 0.073437142 0.085951268 0.102395579 0.116280493 0.13003208 0.023430003 0.029196748 0.033570492 0.030188785 0.041363776 0.065728282 0.077493756 0.089329903 0.014208973 0.03649771 0.061304098 0.072870476 0.092715472 0.100307455 0.115073283 0.129659735 0.01407746 0.032542145 0.049553193 0.072701349 0.090450622 0.156520989 0.236946349 0.307148426 (Iso)Leu 0.069009265 0.387826755 0.576569224 0.712082411 0.88455065 1.192406502 1.567689149 1.821909583 0.250516786 0.254297419 0.372491977 0.48123136 0.441331117 0.621959107 0.739862838 0.897890947 0.222862806 0.371956529 0.355599794 0.479375624 0.487427798 0.650550329 0.737657177 0.838740249 0.162785541 0.492999418 0.619312916 0.83725343 1.131503777 0.988215408 1.474902579 1.405750656 0.259174669 0.449308827 0.60320817 0.820556913 0.726769941 1.065672053 1.228016519 1.137405622 0.162541021 0.445498341 0.711092439 0.925742002 1.199013054 1.080184351 1.31803546 1.423502024 0.318285213 0.419802705 0.564484673 0.613417608 0.75608382 0.88750272 0.485779109 1.188625638 0.402186372 0.817844253 0.999940688 1.035521988 1.19176543 0.972546007 0.954997124 1.896562069 0.382917739 0.699129694 0.84578144 1.107872987 1.1003283 1.427312735 1.90493386 1.601428802 0.322251595 0.550138529 0.839460899 1.00161292 1.026856744 1.180247539 1.250470664 1.358411659 0.279054848 0.568993589 0.546914009 0.634502062 0.684329363 0.81220917 0.875353473 0.947630715 0.284419469 0.520982488 0.602172125 0.699687386 0.729763007 0.842550801 0.899920218 0.965942245 0.31622396 0.489562133 0.773687185 0.850118625 0.86080483 0.950461159 1.119860015 1.219454136 0.383575144 0.599747995 0.742739683 0.925979692 0.986602223 1.050235244 1.173201959 1.092058863 0.359281206 0.564115892 0.725337422 0.797978847 0.877220053 0.936646318 0.946123613 0.996560999 0.279512373 0.352318342 0.385808144 0.335085725 0.441936475 0.644789826 0.727438242 0.833523158 0.20338028 0.428310494 0.635046276 0.702123072 0.855603186 0.867485439 0.966121486 1.073726391 0.203695541 0.383410602 0.528009826 0.738318804 0.846125317 1.129618389 1.473466507 1.681841332 Val 0.011575032 0.062994624 0.090380137 0.111672348 0.140695599 0.207428359 0.281538386 0.328895512 0.043675496 0.042634072 0.059420738 0.074266795 0.068853848 0.093416456 0.1114997 0.136534141 0.038714608 0.058965695 0.055963447 0.072336828 0.073072088 0.096732601 0.113757895 0.128564086 0.032555462 0.089928579 0.108099765 0.141668224 0.203075795 0.181483882 0.268826288 0.261630158 0.05415832 0.082316788 0.101782219 0.1395997 0.122693502 0.19382804 0.228784535 0.216854859 0.028722719 0.075446943 0.110325391 0.151738844 0.197558113 0.18711858 0.240654627 0.259976001 0.060166726 0.076223019 0.096919662 0.101955608 0.123602451 0.149463977 0.081265811 0.207574584 0.080628551 0.151089051 0.176635098 0.178183962 0.202459495 0.168703682 0.16674354 0.316893999 0.076894235 0.131370828 0.153979073 0.2023373 0.201179232 0.262726366 0.372233578 0.298837818 0.0592347 0.091245938 0.136218927 0.16241574 0.176151842 0.207411603 0.226240717 0.259049406 0.049858792 0.090146306 0.087112497 0.099789071 0.107585746 0.131559273 0.140338252 0.14860535 0.056485122 0.088954419 0.099815492 0.114604571 0.119946092 0.141210934 0.150521019 0.160929287 0.059503084 0.08236009 0.125824357 0.137470387 0.145236546 0.184388864 0.232669674 0.253027561 0.06950255 0.094728065 0.112951219 0.140715607 0.149892513 0.163919384 0.185228465 0.169980674 0.064317927 0.088824287 0.108308738 0.11974881 0.133810879 0.144602754 0.152577395 0.159814003 0.048478196 0.05809772 0.06101779 0.052422747 0.067140624 0.09487947 0.107215523 0.120703505 0.036116488 0.064247755 0.092721374 0.102747081 0.125097914 0.126784663 0.140736351 0.156251805 0.036246999 0.058624711 0.077345485 0.105477508 0.124808796 0.181595873 0.253440357 0.304954646 Ala 0.017802043 0.124231049 0.143641889 0.126569468 0.130265014 0.183662201 0.222601978 0.246220249 0.062908171 0.06148853 0.088739118 0.11690459 0.107710151 0.145029913 0.169625321 0.232165399 0.065003364 0.09647914 0.092914213 0.121912209 0.12296251 0.141136533 0.178453628 0.227466088 0.031941082 0.104748745 0.109970937 0.130145964 0.168232858 0.131333219 0.211008254 0.23132226 0.050433301 0.094915237 0.104448672 0.129786297 0.104642521 0.137324317 0.166649213 0.177740105 0.018149979 0.062956587 0.085560479 0.090724307 0.090677805 0.080813017 0.158006077 0.21617202 0.034453138 0.051227106 0.076725882 0.08716778 0.10851801 0.12279117 0.08293228 0.249948378 0.044129792 0.148681664 0.205027095 0.196540129 0.209844022 0.168126017 0.189852716 0.427484927 0.043270291 0.105656795 0.083843556 0.091661124 0.086721902 0.13087048 0.302847384 0.281001547 0.024665711 0.058062836 0.029644833 0.02177497 0.021825725 0.04494871 0.08196158 0.112569725 0.021007559 0.071916411 0.075777325 0.084214293 0.079322828 0.068969422 0.120433597 0.165387447 0.026919316 0.063811897 0.073943969 0.077558561 0.072892852 0.122111889 0.146135388 0.163481301 0.02901844 0.047037821 0.03156039 0.028109917 0.029847512 0.042408417 0.060737337 0.09267173 0.028187387 0.092812984 0.090265315 0.07335306 0.050082943 0.047640108 0.102758001 0.145389425 0.026831502 0.081130554 0.072818491 0.050536563 0.037570675 0.060170467 0.10290898 0.149980093 0.030003023 0.047502423 0.055357841 0.04782446 0.06628509 0.092889934 0.139274406 0.190618824 0.021603841 0.063256239 0.054306369 0.035241852 0.03695568 0.056893847 0.106689734 0.1707504 0.020942114 0.040817939 0.022872744 0.016808604 0.019184274 0.028617488 0.054233892 0.082976707 Arg 0.004053016 0.017288892 0.018137529 0.018689802 0.020839248 0.019414984 0.024609248 0.026454207 0.014181976 0.012345461 0.014128241 0.015097249 0.011852895 0.00826444 0.007009099 0.008046337 0.015494688 0.016716586 0.014241107 0.015551441 0.012830854 0.008218946 0.007414631 0.00684514 0.009097492 0.022091774 0.021639521 0.022865393 0.025262477 0.011636341 0.014575464 0.013271854 0.016184061 0.020471697 0.02193431 0.02549348 0.01769895 0.013453558 0.01284825 0.0112222 0.008512299 0.023392151 0.029433854 0.033435439 0.03737442 0.023590274 0.023895223 0.018710653 0.019450158 0.017824171 0.019800751 0.017810901 0.018321201 0.01039808 0.004224112 0.012208951 0.018720372 0.02949198 0.030580823 0.026649058 0.025507689 0.011394317 0.008835968 0.017947627 0.019071296 0.031694496 0.032877266 0.03951492 0.036927823 0.035781859 0.037186693 0.026407479 0.01654481 0.02441114 0.031443498 0.033073968 0.033090069 0.026492581 0.025262505 0.025555428 0.014478039 0.011836985 0.012122908 0.013812028 0.012975501 0.008375343 0.005520372 0.005699874 0.013925506 0.014420554 0.014774639 0.013552733 0.011771155 0.006619287 0.00545586 0.005820818 0.017238537 0.02018391 0.026690675 0.025626084 0.024053686 0.022606196 0.022241443 0.020348472 0.021749412 0.019991981 0.017187552 0.014366133 0.011408617 0.007245768 0.007793714 0.008374295 0.019301592 0.019959247 0.017930197 0.013381037 0.010572453 0.006128042 0.005441227 0.00668591 0.0211132 0.021496672 0.017136654 0.013483688 0.01318085 0.009014451 0.007048001 0.007263959 0.016167558 0.019198641 0.021641543 0.017662358 0.01516327 0.008574567 0.009060509 0.011498699 0.016471499 0.019321504 0.019498533 0.022392531 0.022260972 0.020493438 0.022447582 0.024392587 Asn 0.003373784 0.016757213 0.023353787 0.030179723 0.038039943 0.048583254 0.055169744 0.053518583 0.007542718 0.006252912 0.007446784 0.008746595 0.007825637 0.007999281 0.009431748 0.010799887 0.005331294 0.006239962 0.00606039 0.007500565 0.008004091 0.009993505 0.009854795 0.009398887 0.005078169 0.013166661 0.018037179 0.024299569 0.033343917 0.024268761 0.031512823 0.023592919 0.00669581 0.010340552 0.015109013 0.021943781 0.020246963 0.024715471 0.026427703 0.019640982 0.003024968 0.008305663 0.016478033 0.025536053 0.034746523 0.032006668 0.033142186 0.028984778 0.004291763 0.004647313 0.006311266 0.007448549 0.009717958 0.011850827 0.00734202 0.012235867 0.005353356 0.011599295 0.016112732 0.018351249 0.021356419 0.015969936 0.013321161 0.019652387 0.004827374 0.013289296 0.021613156 0.032895101 0.034023369 0.04401891 0.046456821 0.037968464 0.003090793 0.010917671 0.02489566 0.035039018 0.039073249 0.05338552 0.05799411 0.072461799 0.003668254 0.005755138 0.007103335 0.010931397 0.013511397 0.014839988 0.018085697 0.018987355 0.004114943 0.00557785 0.010791575 0.009903077 0.013099372 0.016136926 0.02085872 0.017260749 0.006122224 0.011575497 0.021649244 0.030974401 0.040333979 0.060103677 0.063788508 0.064400865 0.007175969 0.012816314 0.024086061 0.020804653 0.028036764 0.019226556 0.024100266 0.024948958 0.00694222 0.011155905 0.021184672 0.017433798 0.019884671 0.016401872 0.014501626 0.021656314 0.00706585 0.003380816 0.004146732 0.004967796 0.005299964 0.012492567 0.014978918 0.012125403 0.001877616 0.008270489 0.014083137 0.020127803 0.020648162 0.020373586 0.023008089 0.024996741 0.001625126 0.006851142 0.012985448 0.025703861 0.032826398 0.056009064 0.064721735 0.053768758 Glu 0.108118202 0.286628198 0.28526773 0.171060578 0.114579541 0.089409625 0.107396378 0.109920581 0.146876524 0.18695928 0.318680954 0.463601972 0.469121563 0.716197857 0.814762139 0.981069002 0.097590606 0.193258498 0.226288611 0.349147467 0.404215066 0.549434086 0.704212464 0.761029409 0.06304931 0.203145015 0.18898715 0.200586341 0.207223886 0.108529122 0.120926018 0.102156616 0.081888345 0.189083651 0.212519452 0.23834487 0.169941937 0.126072449 0.106376638 0.090756816 0.061003359 0.189829383 0.264101986 0.262402804 0.200965972 0.069995875 0.101548037 0.112046218 0.07213115 0.161809005 0.311752838 0.417354283 0.522953686 0.575656612 0.251356785 0.426595479 0.071454335 0.28136025 0.404700216 0.348302764 0.319919482 0.167844739 0.155508879 0.329905276 0.06353934 0.197958777 0.186555036 0.183645247 0.138440722 0.0833313 0.207725944 0.098882823 0.086785659 0.284617089 0.224379913 0.095722687 0.063913772 0.054869006 0.061059625 0.056930352 0.070143263 0.46606945 0.520904369 0.694113192 0.796683128 1.046173838 0.952064647 1.019099721 0.118896241 0.400989595 0.592745401 0.690653915 0.687694697 0.460284805 0.27529303 0.221580111 0.137089705 0.315687419 0.273438964 0.134468988 0.065210217 0.036528788 0.063163217 0.095070737 0.096147991 0.257691775 0.233843975 0.230396866 0.211253472 0.139635478 0.174250906 0.214121246 0.091102355 0.247690461 0.254766672 0.222994753 0.202311879 0.12148465 0.123725317 0.134589473 0.090230253 0.304637723 0.391128762 0.404069052 0.630247525 0.834846663 0.796985003 0.758303322 0.088402704 0.223868094 0.246344526 0.190565687 0.14861205 0.112308498 0.130349875 0.137448673 0.070762793 0.194582859 0.176016728 0.10485131 0.056513634 0.038493964 0.066432387 0.091676253 Citrulline 0.003776779 0.002976001 0.000615062 0.000251406 0.000750051 0.000554437 0.000189374 0.000490774 0.015756851 0.009857929 0.009142929 0.008124067 0.005357055 0.000884118 0.000252038 0.000197878 0.012946872 0.008278726 0.006261887 0.004634683 0.002185325 0.000434517 0.000285396 0.000220577 0.012789352 0.006524863 0.001795737 0.000907675 0.000660132 0.000350223 0.000365827 0.000375917 0.021078232 0.007386087 0.002759931 0.001380567 0.000576952 0.000345777 0.000360668 0.000346402 0.008053015 0.005328162 0.00196253 0.00068785 0.000375411 0.000228988 0.000306309 0.000333109 0.018168448 0.010199405 0.007176411 0.003710223 0.002385855 0.000318732 0.000204332 0.000253928 0.011437193 0.008463451 0.004250111 0.001612451 0.000952179 0.000300875 0.000206873 0.000471949 0.011010481 0.001935726 0.000449101 0.000303652 0.000227634 0.000233592 0.000253343 0.000243975 0.014355025 0.001617893 0.000261312 0.000251381 0.000138387 0.000259648 0.000231063 0.000241038 0.012558731 0.006657036 0.005444379 0.003843239 0.00215499 0.000388011 0.000257057 0.000229746 0.01046609 0.00650563 0.003700844 0.002591612 0.001539879 0.000252421 0.000195649 0.000241933 0.011975321 0.001692577 0.000194299 0.00023958 0.000244358 0.000252258 0.000250212 0.000240759 0.014529103 0.003006159 0.000620499 0.000322045 0.000315083 0.00027779 0.000306101 0.00029816 0.013674096 0.003155481 0.000691159 0.000270291 0.000284556 0.000277637 0.000190933 0.000265111 0.011827297 0.009883535 0.006697943 0.004011859 0.002143853 0.000353735 0.000230837 0.00023076 0.012491876 0.001496678 0.000248027 0.000212756 0.00150048 0.00024798 0.000235901 0.000225768 0.011882347 0.001049924 0.00019345 0.000240133 0.0002213 0.000221821 0.000231742 0.000194932 Ornithine 0.00228022 0.011529903 0.015976198 0.019613627 0.025478957 0.038863832 0.047353364 0.050339969 0.004159597 0.00527926 0.008449629 0.01149642 0.011141977 0.015723817 0.017950217 0.019614001 0.0042523 0.008746126 0.008922297 0.013510995 0.014137556 0.017752241 0.018682956 0.018794729 0.003260125 0.013596 0.017810734 0.02463393 0.037462554 0.031719304 0.040619365 0.036351599 0.004863018 0.011895343 0.015786653 0.023274188 0.021215822 0.033564335 0.034530343 0.028827292 0.003318388 0.011040151 0.018367308 0.027061434 0.037184212 0.038409338 0.052143782 0.054442177 0.005477609 0.008745592 0.013604867 0.015827344 0.020314817 0.025151883 0.0107926 0.029912875 0.005561489 0.014259622 0.018425216 0.020135114 0.023844756 0.019403515 0.017352045 0.032703904 0.004778345 0.013169116 0.017816843 0.025488478 0.026708429 0.041300724 0.060868022 0.046623562 0.003951492 0.013930937 0.022856351 0.029876762 0.035586932 0.046502808 0.052050998 0.057439711 0.003750517 0.01253211 0.013030789 0.016079122 0.018234469 0.022083582 0.020087752 0.019209928 0.003004542 0.008939602 0.012256526 0.015529974 0.016801841 0.018618545 0.017427557 0.017177082 0.003170412 0.01052003 0.019104765 0.022144576 0.025423001 0.040450015 0.054246398 0.056438653 0.004191379 0.013716739 0.019195138 0.023786437 0.024828153 0.023305747 0.023661428 0.020914277 0.004287624 0.012678444 0.017273448 0.019339391 0.021610896 0.017871282 0.015656609 0.015478081 0.009856793 0.007371463 0.009852747 0.009568309 0.013594838 0.019840771 0.019996014 0.01958554 0.003029873 0.011727424 0.018360614 0.021080221 0.02479691 0.021256914 0.022051566 0.023270955 0.003286794 0.011312584 0.015991916 0.022352844 0.027106498 0.041094521 0.057822244 0.066195924 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name Glucose Lactate Gly Gln Lys Met Phe Pro Ser Thr Trp Tyr (Iso)Leu Val Ala Arg Asn Glu Citrulline Ornithine METABOLITES_END #END