#METABOLOMICS WORKBENCH BPnorman_20220928_081002 DATATRACK_ID:3478 STUDY_ID:ST002297 ANALYSIS_ID:AN003752 PROJECT_ID:PR001471
VERSION             	1
CREATED_ON             	September 30, 2022, 8:19 am
#PROJECT
PR:PROJECT_TITLE                 	Metabolomic analysis in SONIA 2, a phase 3 international randomised-controlled
PR:PROJECT_TITLE                 	trial of nitisinone in alkaptonuria (AKU)
PR:PROJECT_SUMMARY               	Abstract from main SONIA 2 publication: Background Alkaptonuria is a rare,
PR:PROJECT_SUMMARY               	genetic, multisystem disease characterised by the accumulation of homogentisic
PR:PROJECT_SUMMARY               	acid (HGA). No HGA-lowering therapy has been approved to date. The aim of SONIA
PR:PROJECT_SUMMARY               	2 was to investigate the efficacy and safety of once-daily nitisinone for
PR:PROJECT_SUMMARY               	reducing HGA excretion in patients with alkaptonuria and to evaluate whether
PR:PROJECT_SUMMARY               	nitisinone has a clinical benefit. Methods SONIA 2 was a 4-year, open-label,
PR:PROJECT_SUMMARY               	evaluator-blind, randomised, no treatment controlled, parallel-group study done
PR:PROJECT_SUMMARY               	at three sites in the UK, France, and Slovakia. Patients aged 25 years or older
PR:PROJECT_SUMMARY               	with confirmed alkaptonuria and any clinical disease manifestations were
PR:PROJECT_SUMMARY               	randomly assigned (1:1) to receive either oral nitisinone 10 mg daily or no
PR:PROJECT_SUMMARY               	treatment. Patients could not be masked to treatment due to colour changes in
PR:PROJECT_SUMMARY               	the urine, but the study was evaluator-blinded as far as possible. The primary
PR:PROJECT_SUMMARY               	endpoint was daily urinary HGA excretion (u-HGA24) after 12 months. Clinical
PR:PROJECT_SUMMARY               	evaluation Alkaptonuria Severity Score Index (cAKUSSI) score was assessed at 12,
PR:PROJECT_SUMMARY               	24, 36, and 48 months. Efficacy variables were analysed in all randomly assigned
PR:PROJECT_SUMMARY               	patients with a valid u-HGA24 measurement at baseline. Safety variables were
PR:PROJECT_SUMMARY               	analysed in all randomly assigned patients. The study was registered at
PR:PROJECT_SUMMARY               	ClinicalTrials.gov (NCT01916382). Findings Between May 7, 2014, and Feb 16,
PR:PROJECT_SUMMARY               	2015, 139 patients were screened, of whom 138 were included in the study, with
PR:PROJECT_SUMMARY               	69 patients randomly assigned to each group. 55 patients in the nitisinone group
PR:PROJECT_SUMMARY               	and 53 in the control group completed the study. u-HGA24 at 12 months was
PR:PROJECT_SUMMARY               	significantly decreased by 99·7% in the nitisinone group compared with the
PR:PROJECT_SUMMARY               	control group (adjusted geometric mean ratio of nitisinone/control 0·003 [95%
PR:PROJECT_SUMMARY               	CI 0·003 to 0·004], p<0·0001). At 48 months, the increase in cAKUSSI score
PR:PROJECT_SUMMARY               	from baseline was significantly lower in the nitisinone group compared with the
PR:PROJECT_SUMMARY               	control group (adjusted mean difference –8·6 points [–16·0 to –1·2],
PR:PROJECT_SUMMARY               	p=0·023). 400 adverse events occurred in 59 (86%) patients in the nitisinone
PR:PROJECT_SUMMARY               	group and 284 events occurred in 57 (83%) patients in the control group. No
PR:PROJECT_SUMMARY               	treatment-related deaths occurred. Interpretation Nitisinone 10 mg daily was
PR:PROJECT_SUMMARY               	well tolerated and effective in reducing urinary excretion of HGA. Nitisinone
PR:PROJECT_SUMMARY               	decreased ochronosis and improved clinical signs, indicating a slower disease
PR:PROJECT_SUMMARY               	progression.
PR:INSTITUTE                     	University of Liverpool Institute of Life Course & Medical Sciences
PR:DEPARTMENT                    	Department of Musculoskeletal & Ageing Science
PR:LAST_NAME                     	Brendan
PR:FIRST_NAME                    	Norman
PR:ADDRESS                       	William Henry Duncan Building, 6 West Derby Street, Liverpool, UK. L7 8TX
PR:EMAIL                         	bnorman@liverpool.ac.uk
PR:PHONE                         	+447809606497
PR:FUNDING_SOURCE                	European Commission for the Framework 7 grant award (DevelopAKUre, project
PR:FUNDING_SOURCE                	number: 304985), Alkaptonuria Society (BPN is funded by the Alkaptonuria Society
PR:FUNDING_SOURCE                	through a Sireau Fellowship Award).
#STUDY
ST:STUDY_TITLE                   	Comprehensive biotransformation analysis of phenylalanine-tyrosine metabolism
ST:STUDY_TITLE                   	reveals alternative routes of metabolite clearance in nitisinone-treated
ST:STUDY_TITLE                   	alkaptonuria (Urine metabolomic analysis)
ST:STUDY_SUMMARY                 	Background: Metabolomic analyses in alkaptonuria (AKU) have recently revealed
ST:STUDY_SUMMARY                 	alternative pathways in phenylalanine-tyrosine (phe-tyr) metabolism from
ST:STUDY_SUMMARY                 	biotransformation of homo-gentisic acid (HGA), the active molecule in this
ST:STUDY_SUMMARY                 	disease. The aim of this research was to study the phe-tyr metabolic pathway and
ST:STUDY_SUMMARY                 	whether the metabolites upstream of HGA, increased in nitisinone-treated
ST:STUDY_SUMMARY                 	patients, also undergo phase 1 and 2 biotransformation reactions. Methods:
ST:STUDY_SUMMARY                 	Metabolomic analyses were performed on serum and urine from patients partaking
ST:STUDY_SUMMARY                 	in the SONIA 2 phase 3 international randomised-controlled trial of nitisinone
ST:STUDY_SUMMARY                 	in AKU (EudraCT no. 2013-001633-41). Serum and urine samples were taken from the
ST:STUDY_SUMMARY                 	same patients at baseline (pre-nitisinone) then at 24 and 48 months on
ST:STUDY_SUMMARY                 	nitisinone treatment (patients N = 47 serum; 53 urine) or no treatment (patients
ST:STUDY_SUMMARY                 	N = 45 serum; 50 urine). Targeted feature extraction was per-formed to
ST:STUDY_SUMMARY                 	specifically mine data for the entire complement of theoretically predicted
ST:STUDY_SUMMARY                 	phase 1 and 2 biotransformation products derived from phenylalanine, tyrosine,
ST:STUDY_SUMMARY                 	4-hydroxyphenylpyruvic acid and 4-hydroxyphenyllactic acid, in addition to
ST:STUDY_SUMMARY                 	phenylalanine-derived metabolites with known increases in phenylketonuria.
ST:STUDY_SUMMARY                 	Results: In total, we ob-served 13 phase 1 and 2 biotransformation products from
ST:STUDY_SUMMARY                 	phenylalanine through to HGA. Each of these products were observed in urine and
ST:STUDY_SUMMARY                 	two were detected in serum. The derivatives of the metabolites upstream of HGA
ST:STUDY_SUMMARY                 	were markedly increased in urine of nitisinone-treated patients (fold change
ST:STUDY_SUMMARY                 	1.2-16.2) and increases in 12 of these compounds were directly proportional to
ST:STUDY_SUMMARY                 	the degree of nitisinone-induced hypertyrosinaemia (correlation coefficient with
ST:STUDY_SUMMARY                 	serum tyrosine = 0.2-0.7). Increases in the urinary phenylalanine metabolites
ST:STUDY_SUMMARY                 	were also observed across consecutive visits in the treated group. Conclusions:
ST:STUDY_SUMMARY                 	Nitisinone treatment results in marked increases in a wider network of phe-tyr
ST:STUDY_SUMMARY                 	metabolites than shown before. This network comprises alternative
ST:STUDY_SUMMARY                 	biotransformation products from the major metabolites of this pathway, produced
ST:STUDY_SUMMARY                 	by reactions including hydration (phase 1) and bioconjugation (phase 2) of
ST:STUDY_SUMMARY                 	acetyl, methyl, acetylcysteine, glucuronide, glycine and sulfate groups. We
ST:STUDY_SUMMARY                 	propose that these alternative routes of phe-tyr metabolism, predominantly in
ST:STUDY_SUMMARY                 	urine, minimise tyrosinaemia as well as phenylalanaemia.
ST:INSTITUTE                     	University of Liverpool Institute of Life Course & Medical Sciences
ST:DEPARTMENT                    	Department of Musculoskeletal & Ageing Science
ST:LAST_NAME                     	Brendan
ST:FIRST_NAME                    	Norman
ST:ADDRESS                       	William Henry Duncan Building, 6 West Derby Street, Liverpool, UK. L7 8TX
ST:EMAIL                         	bnorman@liverpool.ac.uk
ST:NUM_GROUPS                    	2
ST:TOTAL_SUBJECTS                	103
ST:NUM_MALES                     	65
ST:NUM_FEMALES                   	38
ST:STUDY_TYPE                    	Urine metabolomic analysis (study 2 of 2)
ST:PHONE                         	+447809606497
#SUBJECT
SU:SUBJECT_TYPE                  	Human
SU:SUBJECT_SPECIES               	Homo sapiens
SU:TAXONOMY_ID                   	9606
#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           	F01	F01_V1	Treatedrial arm:Treated	Time point=Baseline; 24h Creatinine=7.1; sTyr groups=1) <701; RAW_FILE_NAME=F01_V1
SUBJECT_SAMPLE_FACTORS           	F01	F01_V4	Treatedrial arm:Treated	Time point=24 months; 24h Creatinine=6.3; sTyr groups=3) 901-1100; RAW_FILE_NAME=F01_V4
SUBJECT_SAMPLE_FACTORS           	F01	F01_V6	Treatedrial arm:Treated	Time point=48 months; 24h Creatinine=2.5; sTyr groups=3) 901-1100; RAW_FILE_NAME=F01_V6
SUBJECT_SAMPLE_FACTORS           	F02	F02_V1	Treatedrial arm:Untreated	Time point=Baseline; 24h Creatinine=11.9; sTyr groups=None; RAW_FILE_NAME=F02_V1
SUBJECT_SAMPLE_FACTORS           	F02	F02_V4	Treatedrial arm:Untreated	Time point=24 months; 24h Creatinine=12.2; sTyr groups=None; RAW_FILE_NAME=F02_V4
SUBJECT_SAMPLE_FACTORS           	F02	F02_V6	Treatedrial arm:Untreated	Time point=48 months; 24h Creatinine=7.5; sTyr groups=None; RAW_FILE_NAME=F2_V6
SUBJECT_SAMPLE_FACTORS           	F03	F03_V1	Treatedrial arm:Untreated	Time point=Baseline; 24h Creatinine=15; sTyr groups=None; RAW_FILE_NAME=F03_V1
SUBJECT_SAMPLE_FACTORS           	F03	F03_V4	Treatedrial arm:Untreated	Time point=24 months; 24h Creatinine=13.8; sTyr groups=None; RAW_FILE_NAME=F03_V4
SUBJECT_SAMPLE_FACTORS           	F03	F03_V6	Treatedrial arm:Untreated	Time point=48 months; 24h Creatinine=11; sTyr groups=None; RAW_FILE_NAME=F03_V6
SUBJECT_SAMPLE_FACTORS           	F04	F04_V1	Treatedrial arm:Treated	Time point=Baseline; 24h Creatinine=9.5; sTyr groups=1) <701; RAW_FILE_NAME=F04_V1
SUBJECT_SAMPLE_FACTORS           	F04	F04_V4	Treatedrial arm:Treated	Time point=24 months; 24h Creatinine=13.3; sTyr groups=2) 701-900; RAW_FILE_NAME=F04_V4
SUBJECT_SAMPLE_FACTORS           	F04	F04_V6	Treatedrial arm:Treated	Time point=48 months; 24h Creatinine=11.4; sTyr groups=1) <701; RAW_FILE_NAME=F04_V6
SUBJECT_SAMPLE_FACTORS           	F05	F05_V1	Treatedrial arm:Treated	Time point=Baseline; 24h Creatinine=14.5; sTyr groups=1) <701; RAW_FILE_NAME=F05_V1
SUBJECT_SAMPLE_FACTORS           	F05	F05_V4	Treatedrial arm:Treated	Time point=24 months; 24h Creatinine=10.7; sTyr groups=3) 901-1100; RAW_FILE_NAME=F05_V4
SUBJECT_SAMPLE_FACTORS           	F05	F05_V6	Treatedrial arm:Treated	Time point=48 months; 24h Creatinine=8.1; sTyr groups=4) >1100; RAW_FILE_NAME=F05_V6
SUBJECT_SAMPLE_FACTORS           	F06	F06_V1	Treatedrial arm:Untreated	Time point=Baseline; 24h Creatinine=9.9; sTyr groups=None; RAW_FILE_NAME=F06_V1
SUBJECT_SAMPLE_FACTORS           	F06	F06_V4	Treatedrial arm:Untreated	Time point=24 months; 24h Creatinine=19.5; sTyr groups=None; RAW_FILE_NAME=F06_V4
SUBJECT_SAMPLE_FACTORS           	F06	F06_V6	Treatedrial arm:Untreated	Time point=48 months; 24h Creatinine=4.9; sTyr groups=None; RAW_FILE_NAME=F06_V6
SUBJECT_SAMPLE_FACTORS           	F07	F07_V1	Treatedrial arm:Untreated	Time point=Baseline; 24h Creatinine=8.3; sTyr groups=None; RAW_FILE_NAME=F07_V1
SUBJECT_SAMPLE_FACTORS           	F07	F07_V4	Treatedrial arm:Untreated	Time point=24 months; 24h Creatinine=7.7; sTyr groups=None; RAW_FILE_NAME=F07_V4
SUBJECT_SAMPLE_FACTORS           	F07	F07_V6	Treatedrial arm:Untreated	Time point=48 months; 24h Creatinine=2.9; sTyr groups=None; RAW_FILE_NAME=F07_V6
SUBJECT_SAMPLE_FACTORS           	F08	F08_V1	Treatedrial arm:Treated	Time point=Baseline; 24h Creatinine=13.3; sTyr groups=1) <701; RAW_FILE_NAME=F08_V1
SUBJECT_SAMPLE_FACTORS           	F08	F08_V4	Treatedrial arm:Treated	Time point=24 months; 24h Creatinine=15.8; sTyr groups=4) >1100; RAW_FILE_NAME=F08_V4
SUBJECT_SAMPLE_FACTORS           	F08	F08_V6	Treatedrial arm:Treated	Time point=48 months; 24h Creatinine=15.9; sTyr groups=3) 901-1100; RAW_FILE_NAME=F08_V6
SUBJECT_SAMPLE_FACTORS           	F09	F09_V1	Treatedrial arm:Treated	Time point=Baseline; 24h Creatinine=10.8; sTyr groups=1) <701; RAW_FILE_NAME=F09_V1
SUBJECT_SAMPLE_FACTORS           	F09	F09_V4	Treatedrial arm:Treated	Time point=24 months; 24h Creatinine=5.1; sTyr groups=2) 701-900; RAW_FILE_NAME=F09_V4
SUBJECT_SAMPLE_FACTORS           	F09	F09_V6	Treatedrial arm:Treated	Time point=48 months; 24h Creatinine=7.3; sTyr groups=2) 701-900; RAW_FILE_NAME=F09_V6
SUBJECT_SAMPLE_FACTORS           	F10	F10_V1	Treatedrial arm:Untreated	Time point=Baseline; 24h Creatinine=9.1; sTyr groups=None; RAW_FILE_NAME=F10_V1
SUBJECT_SAMPLE_FACTORS           	F10	F10_V4	Treatedrial arm:Untreated	Time point=24 months; 24h Creatinine=5.5; sTyr groups=None; RAW_FILE_NAME=F10_V4
SUBJECT_SAMPLE_FACTORS           	F10	F10_V6	Treatedrial arm:Untreated	Time point=48 months; 24h Creatinine=3.6; sTyr groups=None; RAW_FILE_NAME=F10_V6
SUBJECT_SAMPLE_FACTORS           	F11	F11_V1	Treatedrial arm:Treated	Time point=Baseline; 24h Creatinine=6.8; sTyr groups=1) <701; RAW_FILE_NAME=F11_V1
SUBJECT_SAMPLE_FACTORS           	F11	F11_V4	Treatedrial arm:Treated	Time point=24 months; 24h Creatinine=6; sTyr groups=4) >1100; RAW_FILE_NAME=F11_V4
SUBJECT_SAMPLE_FACTORS           	F11	F11_V6	Treatedrial arm:Treated	Time point=48 months; 24h Creatinine=6; sTyr groups=2) 701-900; RAW_FILE_NAME=F11_V6
SUBJECT_SAMPLE_FACTORS           	F12	F12_V1	Treatedrial arm:Untreated	Time point=Baseline; 24h Creatinine=9.5; sTyr groups=None; RAW_FILE_NAME=F12_V1
SUBJECT_SAMPLE_FACTORS           	F12	F12_V4	Treatedrial arm:Untreated	Time point=24 months; 24h Creatinine=5; sTyr groups=None; RAW_FILE_NAME=F12_V4
SUBJECT_SAMPLE_FACTORS           	F12	F12_V6	Treatedrial arm:Untreated	Time point=48 months; 24h Creatinine=7.25; sTyr groups=None; RAW_FILE_NAME=F12_V6
SUBJECT_SAMPLE_FACTORS           	F13	F13_V1	Treatedrial arm:Untreated	Time point=Baseline; 24h Creatinine=13.7; sTyr groups=None; RAW_FILE_NAME=F13_V1
SUBJECT_SAMPLE_FACTORS           	F13	F13_V4	Treatedrial arm:Untreated	Time point=24 months; 24h Creatinine=10.8; sTyr groups=None; RAW_FILE_NAME=F13_V4
SUBJECT_SAMPLE_FACTORS           	F13	F13_V6	Treatedrial arm:Untreated	Time point=48 months; 24h Creatinine=6.6; sTyr groups=None; RAW_FILE_NAME=F13_V6
SUBJECT_SAMPLE_FACTORS           	F14	F14_V1	Treatedrial arm:Untreated	Time point=Baseline; 24h Creatinine=12.3; sTyr groups=None; RAW_FILE_NAME=F14_V1
SUBJECT_SAMPLE_FACTORS           	F14	F14_V4	Treatedrial arm:Untreated	Time point=24 months; 24h Creatinine=24.7; sTyr groups=None; RAW_FILE_NAME=F14_V4
SUBJECT_SAMPLE_FACTORS           	F14	F14_V6	Treatedrial arm:Untreated	Time point=48 months; 24h Creatinine=6.4; sTyr groups=None; RAW_FILE_NAME=F14_V6
SUBJECT_SAMPLE_FACTORS           	F15	F15_V1	Treatedrial arm:Treated	Time point=Baseline; 24h Creatinine=5.6; sTyr groups=1) <701; RAW_FILE_NAME=F15_V1
SUBJECT_SAMPLE_FACTORS           	F15	F15_V4	Treatedrial arm:Treated	Time point=24 months; 24h Creatinine=7.9; sTyr groups=4) >1100; RAW_FILE_NAME=F15_V4
SUBJECT_SAMPLE_FACTORS           	F15	F15_V6	Treatedrial arm:Treated	Time point=48 months; 24h Creatinine=3.8; sTyr groups=4) >1100; RAW_FILE_NAME=F15_V6
SUBJECT_SAMPLE_FACTORS           	F16	F16_V1	Treatedrial arm:Treated	Time point=Baseline; 24h Creatinine=4.3; sTyr groups=1) <701; RAW_FILE_NAME=F16_V1
SUBJECT_SAMPLE_FACTORS           	F16	F16_V4	Treatedrial arm:Treated	Time point=24 months; 24h Creatinine=8.8; sTyr groups=3) 901-1100; RAW_FILE_NAME=F16_V4
SUBJECT_SAMPLE_FACTORS           	F16	F16_V6	Treatedrial arm:Treated	Time point=48 months; 24h Creatinine=2.4; sTyr groups=3) 901-1100; RAW_FILE_NAME=F16_V6
SUBJECT_SAMPLE_FACTORS           	F17	F17_V1	Treatedrial arm:Treated	Time point=Baseline; 24h Creatinine=6.5; sTyr groups=1) <701; RAW_FILE_NAME=F17_V1
SUBJECT_SAMPLE_FACTORS           	F17	F17_V4	Treatedrial arm:Treated	Time point=24 months; 24h Creatinine=2.5; sTyr groups=3) 901-1100; RAW_FILE_NAME=F17_V4
SUBJECT_SAMPLE_FACTORS           	F17	F17_V6	Treatedrial arm:Treated	Time point=48 months; 24h Creatinine=5.1; sTyr groups=2) 701-900; RAW_FILE_NAME=F17_V6
SUBJECT_SAMPLE_FACTORS           	F18	F18_V1	Treatedrial arm:Untreated	Time point=Baseline; 24h Creatinine=6.5; sTyr groups=None; RAW_FILE_NAME=F18_V1
SUBJECT_SAMPLE_FACTORS           	F18	F18_V4	Treatedrial arm:Untreated	Time point=24 months; 24h Creatinine=11.4; sTyr groups=None; RAW_FILE_NAME=F18_V4
SUBJECT_SAMPLE_FACTORS           	F18	F18_V6	Treatedrial arm:Untreated	Time point=48 months; 24h Creatinine=1.6; sTyr groups=None; RAW_FILE_NAME=F18_V6
SUBJECT_SAMPLE_FACTORS           	F20	F20_V1	Treatedrial arm:Treated	Time point=Baseline; 24h Creatinine=10.3; sTyr groups=1) <701; RAW_FILE_NAME=F20_V1
SUBJECT_SAMPLE_FACTORS           	F20	F20_V4	Treatedrial arm:Treated	Time point=24 months; 24h Creatinine=3.6; sTyr groups=4) >1100; RAW_FILE_NAME=F20_V4
SUBJECT_SAMPLE_FACTORS           	F20	F20_V6	Treatedrial arm:Treated	Time point=48 months; 24h Creatinine=4.6; sTyr groups=4) >1100; RAW_FILE_NAME=F20_V6
SUBJECT_SAMPLE_FACTORS           	F21	F21_V1	Treatedrial arm:Untreated	Time point=Baseline; 24h Creatinine=14.9; sTyr groups=None; RAW_FILE_NAME=F21_V1
SUBJECT_SAMPLE_FACTORS           	F21	F21_V4	Treatedrial arm:Untreated	Time point=24 months; 24h Creatinine=10.9; sTyr groups=None; RAW_FILE_NAME=F21_V4
SUBJECT_SAMPLE_FACTORS           	F21	F21_V6	Treatedrial arm:Untreated	Time point=48 months; 24h Creatinine=5.2; sTyr groups=None; RAW_FILE_NAME=F21_V6
SUBJECT_SAMPLE_FACTORS           	F23	F23_V1	Treatedrial arm:Untreated	Time point=Baseline; 24h Creatinine=8.2; sTyr groups=None; RAW_FILE_NAME=F23_V1
SUBJECT_SAMPLE_FACTORS           	F23	F23_V4	Treatedrial arm:Untreated	Time point=24 months; 24h Creatinine=7.85; sTyr groups=None; RAW_FILE_NAME=F23_V4
SUBJECT_SAMPLE_FACTORS           	F23	F23_V6	Treatedrial arm:Untreated	Time point=48 months; 24h Creatinine=7.5; sTyr groups=None; RAW_FILE_NAME=F23_V6
SUBJECT_SAMPLE_FACTORS           	F24	F24_V1	Treatedrial arm:Treated	Time point=Baseline; 24h Creatinine=9.1; sTyr groups=1) <701; RAW_FILE_NAME=F24_V1
SUBJECT_SAMPLE_FACTORS           	F24	F24_V4	Treatedrial arm:Treated	Time point=24 months; 24h Creatinine=9.6; sTyr groups=2) 701-900; RAW_FILE_NAME=F24_V4
SUBJECT_SAMPLE_FACTORS           	F24	F24_V6	Treatedrial arm:Treated	Time point=48 months; 24h Creatinine=5.8; sTyr groups=2) 701-900; RAW_FILE_NAME=F24_V6
SUBJECT_SAMPLE_FACTORS           	F25	F25_V1	Treatedrial arm:Untreated	Time point=Baseline; 24h Creatinine=10.6; sTyr groups=None; RAW_FILE_NAME=F25_V1
SUBJECT_SAMPLE_FACTORS           	F25	F25_V4	Treatedrial arm:Untreated	Time point=24 months; 24h Creatinine=21.6; sTyr groups=None; RAW_FILE_NAME=F25_V4
SUBJECT_SAMPLE_FACTORS           	F25	F25_V6	Treatedrial arm:Untreated	Time point=48 months; 24h Creatinine=8.9; sTyr groups=None; RAW_FILE_NAME=F25_V6
SUBJECT_SAMPLE_FACTORS           	F26	F26_V1	Treatedrial arm:Treated	Time point=Baseline; 24h Creatinine=8.3; sTyr groups=1) <701; RAW_FILE_NAME=F26_V1
SUBJECT_SAMPLE_FACTORS           	F26	F26_V4	Treatedrial arm:Treated	Time point=24 months; 24h Creatinine=15.1; sTyr groups=2) 701-900; RAW_FILE_NAME=F26_V4
SUBJECT_SAMPLE_FACTORS           	F26	F26_V6	Treatedrial arm:Treated	Time point=48 months; 24h Creatinine=6.2; sTyr groups=3) 901-1100; RAW_FILE_NAME=F26_V6
SUBJECT_SAMPLE_FACTORS           	F29	F29_V1	Treatedrial arm:Treated	Time point=Baseline; 24h Creatinine=12; sTyr groups=1) <701; RAW_FILE_NAME=F29_V1
SUBJECT_SAMPLE_FACTORS           	F29	F29_V4	Treatedrial arm:Treated	Time point=24 months; 24h Creatinine=6.1; sTyr groups=2) 701-900; RAW_FILE_NAME=F29_V4
SUBJECT_SAMPLE_FACTORS           	F29	F29_V6	Treatedrial arm:Treated	Time point=48 months; 24h Creatinine=6.7; sTyr groups=2) 701-900; RAW_FILE_NAME=F29_V6
SUBJECT_SAMPLE_FACTORS           	F31	F31_V1	Treatedrial arm:Treated	Time point=Baseline; 24h Creatinine=10.4; sTyr groups=1) <701; RAW_FILE_NAME=F31_V1
SUBJECT_SAMPLE_FACTORS           	F31	F31_V4	Treatedrial arm:Treated	Time point=24 months; 24h Creatinine=14.3; sTyr groups=1) <701; RAW_FILE_NAME=F31_V4
SUBJECT_SAMPLE_FACTORS           	F31	F31_V6	Treatedrial arm:Treated	Time point=48 months; 24h Creatinine=11; sTyr groups=1) <701; RAW_FILE_NAME=F31_V6
SUBJECT_SAMPLE_FACTORS           	F32	F32_V1	Treatedrial arm:Treated	Time point=Baseline; 24h Creatinine=7.7; sTyr groups=1) <701; RAW_FILE_NAME=F32_V1
SUBJECT_SAMPLE_FACTORS           	F32	F32_V4	Treatedrial arm:Treated	Time point=24 months; 24h Creatinine=14.1; sTyr groups=2) 701-900; RAW_FILE_NAME=F32_V4
SUBJECT_SAMPLE_FACTORS           	F32	F32_V6	Treatedrial arm:Treated	Time point=48 months; 24h Creatinine=2.4; sTyr groups=2) 701-900; RAW_FILE_NAME=F32_V6
SUBJECT_SAMPLE_FACTORS           	L01	L01_V1	Treatedrial arm:Untreated	Time point=Baseline; 24h Creatinine=11.7; sTyr groups=None; RAW_FILE_NAME=L01_V1
SUBJECT_SAMPLE_FACTORS           	L01	L01_V4	Treatedrial arm:Untreated	Time point=24 months; 24h Creatinine=14.8; sTyr groups=None; RAW_FILE_NAME=L01_V4
SUBJECT_SAMPLE_FACTORS           	L01	L01_V6	Treatedrial arm:Untreated	Time point=48 months; 24h Creatinine=10; sTyr groups=None; RAW_FILE_NAME=L01_V6
SUBJECT_SAMPLE_FACTORS           	L03	L03_V1	Treatedrial arm:Untreated	Time point=Baseline; 24h Creatinine=8.9; sTyr groups=None; RAW_FILE_NAME=L03_V1
SUBJECT_SAMPLE_FACTORS           	L03	L03_V4	Treatedrial arm:Untreated	Time point=24 months; 24h Creatinine=10.7; sTyr groups=None; RAW_FILE_NAME=L3_V4
SUBJECT_SAMPLE_FACTORS           	L03	L03_V6	Treatedrial arm:Untreated	Time point=48 months; 24h Creatinine=5.6; sTyr groups=None; RAW_FILE_NAME=L03_V6
SUBJECT_SAMPLE_FACTORS           	L06	L06_V1	Treatedrial arm:Treated	Time point=Baseline; 24h Creatinine=6.9; sTyr groups=1) <701; RAW_FILE_NAME=L06_V1
SUBJECT_SAMPLE_FACTORS           	L06	L06_V4	Treatedrial arm:Treated	Time point=24 months; 24h Creatinine=7.3; sTyr groups=1) <701; RAW_FILE_NAME=L06_V4
SUBJECT_SAMPLE_FACTORS           	L06	L06_V6	Treatedrial arm:Treated	Time point=48 months; 24h Creatinine=3.4; sTyr groups=4) >1100; RAW_FILE_NAME=L06_V6
SUBJECT_SAMPLE_FACTORS           	L07	L07_V1	Treatedrial arm:Treated	Time point=Baseline; 24h Creatinine=8.8; sTyr groups=1) <701; RAW_FILE_NAME=L07_V1
SUBJECT_SAMPLE_FACTORS           	L07	L07_V4	Treatedrial arm:Treated	Time point=24 months; 24h Creatinine=6.5; sTyr groups=3) 901-1100; RAW_FILE_NAME=L07_V4
SUBJECT_SAMPLE_FACTORS           	L07	L07_V6	Treatedrial arm:Treated	Time point=48 months; 24h Creatinine=7.7; sTyr groups=3) 901-1100; RAW_FILE_NAME=L07_V6
SUBJECT_SAMPLE_FACTORS           	L08	L08_V1	Treatedrial arm:Treated	Time point=Baseline; 24h Creatinine=12.8; sTyr groups=1) <701; RAW_FILE_NAME=L08_V1
SUBJECT_SAMPLE_FACTORS           	L08	L08_V4	Treatedrial arm:Treated	Time point=24 months; 24h Creatinine=11.4; sTyr groups=1) <701; RAW_FILE_NAME=L08_V4
SUBJECT_SAMPLE_FACTORS           	L08	L08_V6	Treatedrial arm:Treated	Time point=48 months; 24h Creatinine=11.3; sTyr groups=1) <701; RAW_FILE_NAME=L08_V6
SUBJECT_SAMPLE_FACTORS           	L09	L09_V1	Treatedrial arm:Untreated	Time point=Baseline; 24h Creatinine=4.5; sTyr groups=None; RAW_FILE_NAME=L09_V1
SUBJECT_SAMPLE_FACTORS           	L09	L09_V4	Treatedrial arm:Untreated	Time point=24 months; 24h Creatinine=6; sTyr groups=None; RAW_FILE_NAME=L09_V4
SUBJECT_SAMPLE_FACTORS           	L09	L09_V6	Treatedrial arm:Untreated	Time point=48 months; 24h Creatinine=5.5; sTyr groups=None; RAW_FILE_NAME=L09_V6
SUBJECT_SAMPLE_FACTORS           	L10	L10_V1	Treatedrial arm:Treated	Time point=Baseline; 24h Creatinine=6.2; sTyr groups=1) <701; RAW_FILE_NAME=L10_V1
SUBJECT_SAMPLE_FACTORS           	L10	L10_V4	Treatedrial arm:Treated	Time point=24 months; 24h Creatinine=6.6; sTyr groups=2) 701-900; RAW_FILE_NAME=L10_V4
SUBJECT_SAMPLE_FACTORS           	L10	L10_V6	Treatedrial arm:Treated	Time point=48 months; 24h Creatinine=7.4; sTyr groups=3) 901-1100; RAW_FILE_NAME=L10_V6
SUBJECT_SAMPLE_FACTORS           	L11	L11_V1	Treatedrial arm:Untreated	Time point=Baseline; 24h Creatinine=9.1; sTyr groups=None; RAW_FILE_NAME=L11_V1
SUBJECT_SAMPLE_FACTORS           	L11	L11_V4	Treatedrial arm:Untreated	Time point=24 months; 24h Creatinine=6.6; sTyr groups=None; RAW_FILE_NAME=L11_V4
SUBJECT_SAMPLE_FACTORS           	L11	L11_V6	Treatedrial arm:Untreated	Time point=48 months; 24h Creatinine=4.7; sTyr groups=None; RAW_FILE_NAME=L11_V6
SUBJECT_SAMPLE_FACTORS           	L12	L12_V1	Treatedrial arm:Treated	Time point=Baseline; 24h Creatinine=8.4; sTyr groups=1) <701; RAW_FILE_NAME=L12_V1
SUBJECT_SAMPLE_FACTORS           	L12	L12_V4	Treatedrial arm:Treated	Time point=24 months; 24h Creatinine=11.2; sTyr groups=2) 701-900; RAW_FILE_NAME=L12_V4
SUBJECT_SAMPLE_FACTORS           	L12	L12_V6	Treatedrial arm:Treated	Time point=48 months; 24h Creatinine=8.6; sTyr groups=3) 901-1100; RAW_FILE_NAME=L12_V6
SUBJECT_SAMPLE_FACTORS           	L13	L13_V1	Treatedrial arm:Untreated	Time point=Baseline; 24h Creatinine=10.2; sTyr groups=None; RAW_FILE_NAME=L13_V1
SUBJECT_SAMPLE_FACTORS           	L13	L13_V4	Treatedrial arm:Untreated	Time point=24 months; 24h Creatinine=6.4; sTyr groups=None; RAW_FILE_NAME=L13_V4
SUBJECT_SAMPLE_FACTORS           	L13	L13_V6	Treatedrial arm:Untreated	Time point=48 months; 24h Creatinine=7; sTyr groups=None; RAW_FILE_NAME=L13_V6
SUBJECT_SAMPLE_FACTORS           	L14	L14_V1	Treatedrial arm:Treated	Time point=Baseline; 24h Creatinine=10.2; sTyr groups=1) <701; RAW_FILE_NAME=L14_V1
SUBJECT_SAMPLE_FACTORS           	L14	L14_V4	Treatedrial arm:Treated	Time point=24 months; 24h Creatinine=13.5; sTyr groups=2) 701-900; RAW_FILE_NAME=L14_V4
SUBJECT_SAMPLE_FACTORS           	L14	L14_V6	Treatedrial arm:Treated	Time point=48 months; 24h Creatinine=7.9; sTyr groups=2) 701-900; RAW_FILE_NAME=L14_V6
SUBJECT_SAMPLE_FACTORS           	L15	L15_V1	Treatedrial arm:Untreated	Time point=Baseline; 24h Creatinine=13.2; sTyr groups=None; RAW_FILE_NAME=L15_V1
SUBJECT_SAMPLE_FACTORS           	L15	L15_V4	Treatedrial arm:Untreated	Time point=24 months; 24h Creatinine=11.3; sTyr groups=None; RAW_FILE_NAME=L15_V4
SUBJECT_SAMPLE_FACTORS           	L15	L15_V6	Treatedrial arm:Untreated	Time point=48 months; 24h Creatinine=7.6; sTyr groups=None; RAW_FILE_NAME=L15_V6
SUBJECT_SAMPLE_FACTORS           	L16	L16_V1	Treatedrial arm:Treated	Time point=Baseline; 24h Creatinine=14.3; sTyr groups=1) <701; RAW_FILE_NAME=L16_V1
SUBJECT_SAMPLE_FACTORS           	L16	L16_V4	Treatedrial arm:Treated	Time point=24 months; 24h Creatinine=11.2; sTyr groups=3) 901-1100; RAW_FILE_NAME=L16_V4
SUBJECT_SAMPLE_FACTORS           	L16	L16_V6	Treatedrial arm:Treated	Time point=48 months; 24h Creatinine=8.7; sTyr groups=3) 901-1100; RAW_FILE_NAME=L16_V6
SUBJECT_SAMPLE_FACTORS           	L17	L17_V1	Treatedrial arm:Untreated	Time point=Baseline; 24h Creatinine=13.7; sTyr groups=None; RAW_FILE_NAME=L17_V1
SUBJECT_SAMPLE_FACTORS           	L17	L17_V4	Treatedrial arm:Untreated	Time point=24 months; 24h Creatinine=13.5; sTyr groups=None; RAW_FILE_NAME=L17_V4
SUBJECT_SAMPLE_FACTORS           	L17	L17_V6	Treatedrial arm:Untreated	Time point=48 months; 24h Creatinine=7.2; sTyr groups=None; RAW_FILE_NAME=L17_V6
SUBJECT_SAMPLE_FACTORS           	L18	L18_V1	Treatedrial arm:Treated	Time point=Baseline; 24h Creatinine=12.5; sTyr groups=1) <701; RAW_FILE_NAME=L18_V1
SUBJECT_SAMPLE_FACTORS           	L18	L18_V4	Treatedrial arm:Treated	Time point=24 months; 24h Creatinine=10.5; sTyr groups=3) 901-1100; RAW_FILE_NAME=L18_V4
SUBJECT_SAMPLE_FACTORS           	L18	L18_V6	Treatedrial arm:Treated	Time point=48 months; 24h Creatinine=10.6; sTyr groups=3) 901-1100; RAW_FILE_NAME=L18_V6
SUBJECT_SAMPLE_FACTORS           	L21	L21_V1	Treatedrial arm:Untreated	Time point=Baseline; 24h Creatinine=8.6; sTyr groups=None; RAW_FILE_NAME=L21_V1
SUBJECT_SAMPLE_FACTORS           	L21	L21_V4	Treatedrial arm:Untreated	Time point=24 months; 24h Creatinine=9.9; sTyr groups=None; RAW_FILE_NAME=L21_V4
SUBJECT_SAMPLE_FACTORS           	L21	L21_V6	Treatedrial arm:Untreated	Time point=48 months; 24h Creatinine=6.8; sTyr groups=None; RAW_FILE_NAME=L21_V6
SUBJECT_SAMPLE_FACTORS           	L22	L22_V1	Treatedrial arm:Treated	Time point=Baseline; 24h Creatinine=9.4; sTyr groups=1) <701; RAW_FILE_NAME=L22_V1
SUBJECT_SAMPLE_FACTORS           	L22	L22_V4	Treatedrial arm:Treated	Time point=24 months; 24h Creatinine=10.5; sTyr groups=1) <701; RAW_FILE_NAME=L22_V4
SUBJECT_SAMPLE_FACTORS           	L22	L22_V6	Treatedrial arm:Treated	Time point=48 months; 24h Creatinine=4.3; sTyr groups=1) <701; RAW_FILE_NAME=L22_V6
SUBJECT_SAMPLE_FACTORS           	L23	L23_V1	Treatedrial arm:Untreated	Time point=Baseline; 24h Creatinine=8.2; sTyr groups=None; RAW_FILE_NAME=L23_V1
SUBJECT_SAMPLE_FACTORS           	L23	L23_V4	Treatedrial arm:Untreated	Time point=24 months; 24h Creatinine=8.3; sTyr groups=None; RAW_FILE_NAME=L23_V4
SUBJECT_SAMPLE_FACTORS           	L23	L23_V6	Treatedrial arm:Untreated	Time point=48 months; 24h Creatinine=3.4; sTyr groups=None; RAW_FILE_NAME=L23_V6
SUBJECT_SAMPLE_FACTORS           	L24	L24_V1	Treatedrial arm:Untreated	Time point=Baseline; 24h Creatinine=12.1; sTyr groups=None; RAW_FILE_NAME=L24_V1
SUBJECT_SAMPLE_FACTORS           	L24	L24_V4	Treatedrial arm:Untreated	Time point=24 months; 24h Creatinine=13.4; sTyr groups=None; RAW_FILE_NAME=L24_V4
SUBJECT_SAMPLE_FACTORS           	L24	L24_V6	Treatedrial arm:Untreated	Time point=48 months; 24h Creatinine=7.7; sTyr groups=None; RAW_FILE_NAME=L24_V6
SUBJECT_SAMPLE_FACTORS           	L28	L28_V1	Treatedrial arm:Treated	Time point=Baseline; 24h Creatinine=12.9; sTyr groups=1) <701; RAW_FILE_NAME=L28_V1
SUBJECT_SAMPLE_FACTORS           	L28	L28_V4	Treatedrial arm:Treated	Time point=24 months; 24h Creatinine=13.3; sTyr groups=4) >1100; RAW_FILE_NAME=L28_V4
SUBJECT_SAMPLE_FACTORS           	L28	L28_V6	Treatedrial arm:Treated	Time point=48 months; 24h Creatinine=11.9; sTyr groups=4) >1100; RAW_FILE_NAME=L28_V6
SUBJECT_SAMPLE_FACTORS           	L29	L29_V1	Treatedrial arm:Untreated	Time point=Baseline; 24h Creatinine=7.7; sTyr groups=None; RAW_FILE_NAME=L29_V1
SUBJECT_SAMPLE_FACTORS           	L29	L29_V4	Treatedrial arm:Untreated	Time point=24 months; 24h Creatinine=9; sTyr groups=None; RAW_FILE_NAME=L29_V4
SUBJECT_SAMPLE_FACTORS           	L29	L29_V6	Treatedrial arm:Untreated	Time point=48 months; 24h Creatinine=5.5; sTyr groups=None; RAW_FILE_NAME=L29_V6
SUBJECT_SAMPLE_FACTORS           	L30	L30_V1	Treatedrial arm:Treated	Time point=Baseline; 24h Creatinine=11.6; sTyr groups=1) <701; RAW_FILE_NAME=L30_V1
SUBJECT_SAMPLE_FACTORS           	L30	L30_V4	Treatedrial arm:Treated	Time point=24 months; 24h Creatinine=12.7; sTyr groups=3) 901-1100; RAW_FILE_NAME=L30_V4
SUBJECT_SAMPLE_FACTORS           	L30	L30_V6	Treatedrial arm:Treated	Time point=48 months; 24h Creatinine=7; sTyr groups=4) >1100; RAW_FILE_NAME=L30_V6
SUBJECT_SAMPLE_FACTORS           	L31	L31_V1	Treatedrial arm:Untreated	Time point=Baseline; 24h Creatinine=6.9; sTyr groups=None; RAW_FILE_NAME=L31_V1
SUBJECT_SAMPLE_FACTORS           	L31	L31_V4	Treatedrial arm:Untreated	Time point=24 months; 24h Creatinine=5.6; sTyr groups=None; RAW_FILE_NAME=L31_V4
SUBJECT_SAMPLE_FACTORS           	L31	L31_V6	Treatedrial arm:Untreated	Time point=48 months; 24h Creatinine=3.4; sTyr groups=None; RAW_FILE_NAME=L31_V6
SUBJECT_SAMPLE_FACTORS           	L33	L33_V1	Treatedrial arm:Treated	Time point=Baseline; 24h Creatinine=8.7; sTyr groups=1) <701; RAW_FILE_NAME=L33_V1
SUBJECT_SAMPLE_FACTORS           	L33	L33_V4	Treatedrial arm:Treated	Time point=24 months; 24h Creatinine=8.3; sTyr groups=2) 701-900; RAW_FILE_NAME=L33_V4
SUBJECT_SAMPLE_FACTORS           	L33	L33_V6	Treatedrial arm:Treated	Time point=48 months; 24h Creatinine=5.2; sTyr groups=2) 701-900; RAW_FILE_NAME=L33_V6
SUBJECT_SAMPLE_FACTORS           	L35	L35_V1	Treatedrial arm:Treated	Time point=Baseline; 24h Creatinine=13.9; sTyr groups=1) <701; RAW_FILE_NAME=L35_V1
SUBJECT_SAMPLE_FACTORS           	L35	L35_V4	Treatedrial arm:Treated	Time point=24 months; 24h Creatinine=9.8; sTyr groups=1) <701; RAW_FILE_NAME=L35_V4
SUBJECT_SAMPLE_FACTORS           	L35	L35_V6	Treatedrial arm:Treated	Time point=48 months; 24h Creatinine=7.4; sTyr groups=1) <701; RAW_FILE_NAME=L35_V6
SUBJECT_SAMPLE_FACTORS           	L37	L37_V1	Treatedrial arm:Untreated	Time point=Baseline; 24h Creatinine=11.7; sTyr groups=None; RAW_FILE_NAME=L37_V1
SUBJECT_SAMPLE_FACTORS           	L37	L37_V4	Treatedrial arm:Untreated	Time point=24 months; 24h Creatinine=14.6; sTyr groups=None; RAW_FILE_NAME=L37_V4
SUBJECT_SAMPLE_FACTORS           	L37	L37_V6	Treatedrial arm:Untreated	Time point=48 months; 24h Creatinine=11.7; sTyr groups=None; RAW_FILE_NAME=L37_V6
SUBJECT_SAMPLE_FACTORS           	L38	L38_V1	Treatedrial arm:Untreated	Time point=Baseline; 24h Creatinine=7.5; sTyr groups=None; RAW_FILE_NAME=L38_V1
SUBJECT_SAMPLE_FACTORS           	L38	L38_V4	Treatedrial arm:Untreated	Time point=24 months; 24h Creatinine=9.5; sTyr groups=None; RAW_FILE_NAME=L38_V4
SUBJECT_SAMPLE_FACTORS           	L38	L38_V6	Treatedrial arm:Untreated	Time point=48 months; 24h Creatinine=4.7; sTyr groups=None; RAW_FILE_NAME=L38_V6
SUBJECT_SAMPLE_FACTORS           	L40	L40_V1	Treatedrial arm:Treated	Time point=Baseline; 24h Creatinine=10.5; sTyr groups=1) <701; RAW_FILE_NAME=L40_V1
SUBJECT_SAMPLE_FACTORS           	L40	L40_V4	Treatedrial arm:Treated	Time point=24 months; 24h Creatinine=14.3; sTyr groups=1) <701; RAW_FILE_NAME=L40_V4
SUBJECT_SAMPLE_FACTORS           	L40	L40_V6	Treatedrial arm:Treated	Time point=48 months; 24h Creatinine=11; sTyr groups=2) 701-900; RAW_FILE_NAME=L40_V6
SUBJECT_SAMPLE_FACTORS           	P01	P01_V1	Treatedrial arm:Untreated	Time point=Baseline; 24h Creatinine=9.4; sTyr groups=None; RAW_FILE_NAME=P01_V1
SUBJECT_SAMPLE_FACTORS           	P01	P01_V4	Treatedrial arm:Untreated	Time point=24 months; 24h Creatinine=9.5; sTyr groups=None; RAW_FILE_NAME=P01_V4
SUBJECT_SAMPLE_FACTORS           	P01	P01_V6	Treatedrial arm:Untreated	Time point=48 months; 24h Creatinine=10.9; sTyr groups=None; RAW_FILE_NAME=P01_V6
SUBJECT_SAMPLE_FACTORS           	P02	P02_V1	Treatedrial arm:Treated	Time point=Baseline; 24h Creatinine=9.3; sTyr groups=1) <701; RAW_FILE_NAME=P02_V1
SUBJECT_SAMPLE_FACTORS           	P02	P02_V4	Treatedrial arm:Treated	Time point=24 months; 24h Creatinine=10.1; sTyr groups=3) 901-1100; RAW_FILE_NAME=P02_V4
SUBJECT_SAMPLE_FACTORS           	P02	P02_V6	Treatedrial arm:Treated	Time point=48 months; 24h Creatinine=5; sTyr groups=2) 701-900; RAW_FILE_NAME=P02_V6
SUBJECT_SAMPLE_FACTORS           	P03	P03_V1	Treatedrial arm:Treated	Time point=Baseline; 24h Creatinine=14.6; sTyr groups=1) <701; RAW_FILE_NAME=P03_V1
SUBJECT_SAMPLE_FACTORS           	P03	P03_V4	Treatedrial arm:Treated	Time point=24 months; 24h Creatinine=17.6; sTyr groups=2) 701-900; RAW_FILE_NAME=P03_V4
SUBJECT_SAMPLE_FACTORS           	P03	P03_V6	Treatedrial arm:Treated	Time point=48 months; 24h Creatinine=14.3; sTyr groups=2) 701-900; RAW_FILE_NAME=P03_V6
SUBJECT_SAMPLE_FACTORS           	P05	P05_V1	Treatedrial arm:Untreated	Time point=Baseline; 24h Creatinine=10.1; sTyr groups=None; RAW_FILE_NAME=P05_V1
SUBJECT_SAMPLE_FACTORS           	P05	P05_V4	Treatedrial arm:Untreated	Time point=24 months; 24h Creatinine=14.6; sTyr groups=None; RAW_FILE_NAME=P05_V4
SUBJECT_SAMPLE_FACTORS           	P05	P05_V6	Treatedrial arm:Untreated	Time point=48 months; 24h Creatinine=5.6; sTyr groups=None; RAW_FILE_NAME=P05_V6
SUBJECT_SAMPLE_FACTORS           	P06	P06_V1	Treatedrial arm:Untreated	Time point=Baseline; 24h Creatinine=12.5; sTyr groups=None; RAW_FILE_NAME=P06_V1
SUBJECT_SAMPLE_FACTORS           	P06	P06_V4	Treatedrial arm:Untreated	Time point=24 months; 24h Creatinine=12.7; sTyr groups=None; RAW_FILE_NAME=P06_V4
SUBJECT_SAMPLE_FACTORS           	P06	P06_V6	Treatedrial arm:Untreated	Time point=48 months; 24h Creatinine=11.1; sTyr groups=None; RAW_FILE_NAME=P06_V6
SUBJECT_SAMPLE_FACTORS           	P07	P07_V1	Treatedrial arm:Treated	Time point=Baseline; 24h Creatinine=10.4; sTyr groups=1) <701; RAW_FILE_NAME=P07_V1
SUBJECT_SAMPLE_FACTORS           	P07	P07_V4	Treatedrial arm:Treated	Time point=24 months; 24h Creatinine=10.7; sTyr groups=3) 901-1100; RAW_FILE_NAME=P07_V4
SUBJECT_SAMPLE_FACTORS           	P07	P07_V6	Treatedrial arm:Treated	Time point=48 months; 24h Creatinine=7; sTyr groups=2) 701-900; RAW_FILE_NAME=P07_V6
SUBJECT_SAMPLE_FACTORS           	P09	P09_V1	Treatedrial arm:Untreated	Time point=Baseline; 24h Creatinine=12.6; sTyr groups=None; RAW_FILE_NAME=P09_V1
SUBJECT_SAMPLE_FACTORS           	P09	P09_V4	Treatedrial arm:Untreated	Time point=24 months; 24h Creatinine=14.3; sTyr groups=None; RAW_FILE_NAME=P09_V4
SUBJECT_SAMPLE_FACTORS           	P09	P09_V6	Treatedrial arm:Untreated	Time point=48 months; 24h Creatinine=12; sTyr groups=None; RAW_FILE_NAME=P09_V6
SUBJECT_SAMPLE_FACTORS           	P11	P11_V1	Treatedrial arm:Treated	Time point=Baseline; 24h Creatinine=12.2; sTyr groups=1) <701; RAW_FILE_NAME=P11_V1
SUBJECT_SAMPLE_FACTORS           	P11	P11_V4	Treatedrial arm:Treated	Time point=24 months; 24h Creatinine=12.6; sTyr groups=3) 901-1100; RAW_FILE_NAME=P11_V4
SUBJECT_SAMPLE_FACTORS           	P11	P11_V6	Treatedrial arm:Treated	Time point=48 months; 24h Creatinine=12.2; sTyr groups=3) 901-1100; RAW_FILE_NAME=P11_V6
SUBJECT_SAMPLE_FACTORS           	P12	P12_V1	Treatedrial arm:Untreated	Time point=Baseline; 24h Creatinine=14.1; sTyr groups=None; RAW_FILE_NAME=P12_V1
SUBJECT_SAMPLE_FACTORS           	P12	P12_V4	Treatedrial arm:Untreated	Time point=24 months; 24h Creatinine=11.4; sTyr groups=None; RAW_FILE_NAME=P12_V4
SUBJECT_SAMPLE_FACTORS           	P12	P12_V6	Treatedrial arm:Untreated	Time point=48 months; 24h Creatinine=15.8; sTyr groups=None; RAW_FILE_NAME=P12_V6
SUBJECT_SAMPLE_FACTORS           	P13	P13_V1	Treatedrial arm:Untreated	Time point=Baseline; 24h Creatinine=9.3; sTyr groups=None; RAW_FILE_NAME=P13_V1
SUBJECT_SAMPLE_FACTORS           	P13	P13_V4	Treatedrial arm:Untreated	Time point=24 months; 24h Creatinine=9.7; sTyr groups=None; RAW_FILE_NAME=P13_V4
SUBJECT_SAMPLE_FACTORS           	P13	P13_V6	Treatedrial arm:Untreated	Time point=48 months; 24h Creatinine=7.4; sTyr groups=None; RAW_FILE_NAME=P13_V6
SUBJECT_SAMPLE_FACTORS           	P15	P15_V1	Treatedrial arm:Treated	Time point=Baseline; 24h Creatinine=15.1; sTyr groups=1) <701; RAW_FILE_NAME=P15_V1
SUBJECT_SAMPLE_FACTORS           	P15	P15_V4	Treatedrial arm:Treated	Time point=24 months; 24h Creatinine=12.3; sTyr groups=1) <701; RAW_FILE_NAME=P15_V4
SUBJECT_SAMPLE_FACTORS           	P15	P15_V6	Treatedrial arm:Treated	Time point=48 months; 24h Creatinine=15.7; sTyr groups=1) <701; RAW_FILE_NAME=P15_V6
SUBJECT_SAMPLE_FACTORS           	P16	P16_V1	Treatedrial arm:Untreated	Time point=Baseline; 24h Creatinine=8.5; sTyr groups=None; RAW_FILE_NAME=P16_V1
SUBJECT_SAMPLE_FACTORS           	P16	P16_V4	Treatedrial arm:Untreated	Time point=24 months; 24h Creatinine=10.3; sTyr groups=None; RAW_FILE_NAME=P16_V4
SUBJECT_SAMPLE_FACTORS           	P16	P16_V6	Treatedrial arm:Untreated	Time point=48 months; 24h Creatinine=10.1; sTyr groups=None; RAW_FILE_NAME=P16_V6
SUBJECT_SAMPLE_FACTORS           	P17	P17_V1	Treatedrial arm:Untreated	Time point=Baseline; 24h Creatinine=15.8; sTyr groups=None; RAW_FILE_NAME=P17_V1
SUBJECT_SAMPLE_FACTORS           	P17	P17_V4	Treatedrial arm:Untreated	Time point=24 months; 24h Creatinine=13.8; sTyr groups=None; RAW_FILE_NAME=P17_V4
SUBJECT_SAMPLE_FACTORS           	P17	P17_V6	Treatedrial arm:Untreated	Time point=48 months; 24h Creatinine=8.3; sTyr groups=None; RAW_FILE_NAME=P17_V6
SUBJECT_SAMPLE_FACTORS           	P18	P18_V1	Treatedrial arm:Treated	Time point=Baseline; 24h Creatinine=14.2; sTyr groups=1) <701; RAW_FILE_NAME=P18_V1
SUBJECT_SAMPLE_FACTORS           	P18	P18_V4	Treatedrial arm:Treated	Time point=24 months; 24h Creatinine=14.2; sTyr groups=2) 701-900; RAW_FILE_NAME=P18_V4
SUBJECT_SAMPLE_FACTORS           	P18	P18_V6	Treatedrial arm:Treated	Time point=48 months; 24h Creatinine=11.8; sTyr groups=2) 701-900; RAW_FILE_NAME=P18_V6
SUBJECT_SAMPLE_FACTORS           	P20	P20_V1	Treatedrial arm:Untreated	Time point=Baseline; 24h Creatinine=12.5; sTyr groups=None; RAW_FILE_NAME=P20_V1
SUBJECT_SAMPLE_FACTORS           	P20	P20_V4	Treatedrial arm:Untreated	Time point=24 months; 24h Creatinine=15.1; sTyr groups=None; RAW_FILE_NAME=P20_V4
SUBJECT_SAMPLE_FACTORS           	P20	P20_V6	Treatedrial arm:Untreated	Time point=48 months; 24h Creatinine=13.9; sTyr groups=None; RAW_FILE_NAME=P20_V6
SUBJECT_SAMPLE_FACTORS           	P21	P21_V1	Treatedrial arm:Untreated	Time point=Baseline; 24h Creatinine=18.7; sTyr groups=None; RAW_FILE_NAME=P21_V1
SUBJECT_SAMPLE_FACTORS           	P21	P21_V4	Treatedrial arm:Untreated	Time point=24 months; 24h Creatinine=8.7; sTyr groups=None; RAW_FILE_NAME=P21_V4
SUBJECT_SAMPLE_FACTORS           	P21	P21_V6	Treatedrial arm:Untreated	Time point=48 months; 24h Creatinine=11.8; sTyr groups=None; RAW_FILE_NAME=P21_V6
SUBJECT_SAMPLE_FACTORS           	P22	P22_V1	Treatedrial arm:Treated	Time point=Baseline; 24h Creatinine=9.7; sTyr groups=1) <701; RAW_FILE_NAME=P22_V1
SUBJECT_SAMPLE_FACTORS           	P22	P22_V4	Treatedrial arm:Treated	Time point=24 months; 24h Creatinine=9.6; sTyr groups=2) 701-900; RAW_FILE_NAME=P22_V4
SUBJECT_SAMPLE_FACTORS           	P22	P22_V6	Treatedrial arm:Treated	Time point=48 months; 24h Creatinine=6.7; sTyr groups=4) >1100; RAW_FILE_NAME=P22_V6
SUBJECT_SAMPLE_FACTORS           	P23	P23_V1	Treatedrial arm:Treated	Time point=Baseline; 24h Creatinine=16.4; sTyr groups=1) <701; RAW_FILE_NAME=P23_V1
SUBJECT_SAMPLE_FACTORS           	P23	P23_V4	Treatedrial arm:Treated	Time point=24 months; 24h Creatinine=13.9; sTyr groups=4) >1100; RAW_FILE_NAME=P23_V4
SUBJECT_SAMPLE_FACTORS           	P23	P23_V6	Treatedrial arm:Treated	Time point=48 months; 24h Creatinine=11.3; sTyr groups=3) 901-1100; RAW_FILE_NAME=P23_V6
SUBJECT_SAMPLE_FACTORS           	P24	P24_V1	Treatedrial arm:Untreated	Time point=Baseline; 24h Creatinine=13.1; sTyr groups=None; RAW_FILE_NAME=P24_V1
SUBJECT_SAMPLE_FACTORS           	P24	P24_V4	Treatedrial arm:Untreated	Time point=24 months; 24h Creatinine=11.9; sTyr groups=None; RAW_FILE_NAME=P24_V4
SUBJECT_SAMPLE_FACTORS           	P24	P24_V6	Treatedrial arm:Untreated	Time point=48 months; 24h Creatinine=8.8; sTyr groups=None; RAW_FILE_NAME=P24_V6
SUBJECT_SAMPLE_FACTORS           	P26	P26_V1	Treatedrial arm:Treated	Time point=Baseline; 24h Creatinine=12.6; sTyr groups=1) <701; RAW_FILE_NAME=P26_V1
SUBJECT_SAMPLE_FACTORS           	P26	P26_V4	Treatedrial arm:Treated	Time point=24 months; 24h Creatinine=12; sTyr groups=3) 901-1100; RAW_FILE_NAME=P26_V4
SUBJECT_SAMPLE_FACTORS           	P26	P26_V6	Treatedrial arm:Treated	Time point=48 months; 24h Creatinine=12.5; sTyr groups=4) >1100; RAW_FILE_NAME=P26_V6
SUBJECT_SAMPLE_FACTORS           	P28	P28_V1	Treatedrial arm:Untreated	Time point=Baseline; 24h Creatinine=18.4; sTyr groups=None; RAW_FILE_NAME=P28_V1
SUBJECT_SAMPLE_FACTORS           	P28	P28_V4	Treatedrial arm:Untreated	Time point=24 months; 24h Creatinine=13.9; sTyr groups=None; RAW_FILE_NAME=P28_V4
SUBJECT_SAMPLE_FACTORS           	P28	P28_V6	Treatedrial arm:Untreated	Time point=48 months; 24h Creatinine=18.6; sTyr groups=None; RAW_FILE_NAME=P28_V6
SUBJECT_SAMPLE_FACTORS           	P29	P29_V1	Treatedrial arm:Untreated	Time point=Baseline; 24h Creatinine=9.9; sTyr groups=None; RAW_FILE_NAME=P29_V1
SUBJECT_SAMPLE_FACTORS           	P29	P29_V4	Treatedrial arm:Untreated	Time point=24 months; 24h Creatinine=7.6; sTyr groups=None; RAW_FILE_NAME=P29_V4
SUBJECT_SAMPLE_FACTORS           	P29	P29_V6	Treatedrial arm:Untreated	Time point=48 months; 24h Creatinine=9.6; sTyr groups=None; RAW_FILE_NAME=P29_V6
SUBJECT_SAMPLE_FACTORS           	P30	P30_V1	Treatedrial arm:Treated	Time point=Baseline; 24h Creatinine=13.6; sTyr groups=1) <701; RAW_FILE_NAME=P30_V1
SUBJECT_SAMPLE_FACTORS           	P30	P30_V4	Treatedrial arm:Treated	Time point=24 months; 24h Creatinine=16; sTyr groups=3) 901-1100; RAW_FILE_NAME=P30_V4
SUBJECT_SAMPLE_FACTORS           	P30	P30_V6	Treatedrial arm:Treated	Time point=48 months; 24h Creatinine=16.3; sTyr groups=1) <701; RAW_FILE_NAME=P30_V6
SUBJECT_SAMPLE_FACTORS           	P31	P31_V1	Treatedrial arm:Treated	Time point=Baseline; 24h Creatinine=9.7; sTyr groups=1) <701; RAW_FILE_NAME=P31_V1
SUBJECT_SAMPLE_FACTORS           	P31	P31_V4	Treatedrial arm:Treated	Time point=24 months; 24h Creatinine=10.8; sTyr groups=4) >1100; RAW_FILE_NAME=P31_V4
SUBJECT_SAMPLE_FACTORS           	P31	P31_V6	Treatedrial arm:Treated	Time point=48 months; 24h Creatinine=8.4; sTyr groups=3) 901-1100; RAW_FILE_NAME=P31_V6
SUBJECT_SAMPLE_FACTORS           	P32	P32_V1	Treatedrial arm:Untreated	Time point=Baseline; 24h Creatinine=9.1; sTyr groups=None; RAW_FILE_NAME=P32_V1
SUBJECT_SAMPLE_FACTORS           	P32	P32_V4	Treatedrial arm:Untreated	Time point=24 months; 24h Creatinine=11.1; sTyr groups=None; RAW_FILE_NAME=P32_V4
SUBJECT_SAMPLE_FACTORS           	P32	P32_V6	Treatedrial arm:Untreated	Time point=48 months; 24h Creatinine=8.5; sTyr groups=None; RAW_FILE_NAME=P32_V6
SUBJECT_SAMPLE_FACTORS           	P33	P33_V1	Treatedrial arm:Untreated	Time point=Baseline; 24h Creatinine=15.5; sTyr groups=None; RAW_FILE_NAME=P33_V1
SUBJECT_SAMPLE_FACTORS           	P33	P33_V4	Treatedrial arm:Untreated	Time point=24 months; 24h Creatinine=14.4; sTyr groups=None; RAW_FILE_NAME=P33_V4
SUBJECT_SAMPLE_FACTORS           	P33	P33_V6	Treatedrial arm:Untreated	Time point=48 months; 24h Creatinine=16.9; sTyr groups=None; RAW_FILE_NAME=P33_V6
SUBJECT_SAMPLE_FACTORS           	P34	P34_V1	Treatedrial arm:Treated	Time point=Baseline; 24h Creatinine=12.6; sTyr groups=1) <701; RAW_FILE_NAME=P34_V1
SUBJECT_SAMPLE_FACTORS           	P34	P34_V4	Treatedrial arm:Treated	Time point=24 months; 24h Creatinine=15.3; sTyr groups=2) 701-900; RAW_FILE_NAME=P34_V4
SUBJECT_SAMPLE_FACTORS           	P34	P34_V6	Treatedrial arm:Treated	Time point=48 months; 24h Creatinine=25.1; sTyr groups=2) 701-900; RAW_FILE_NAME=P34_V6
SUBJECT_SAMPLE_FACTORS           	P35	P35_V1	Treatedrial arm:Untreated	Time point=Baseline; 24h Creatinine=6.1; sTyr groups=None; RAW_FILE_NAME=P35_V1
SUBJECT_SAMPLE_FACTORS           	P35	P35_V4	Treatedrial arm:Untreated	Time point=24 months; 24h Creatinine=7.3; sTyr groups=None; RAW_FILE_NAME=P35_V4
SUBJECT_SAMPLE_FACTORS           	P35	P35_V6	Treatedrial arm:Untreated	Time point=48 months; 24h Creatinine=8.2; sTyr groups=None; RAW_FILE_NAME=P35_V6
SUBJECT_SAMPLE_FACTORS           	P37	P37_V1	Treatedrial arm:Untreated	Time point=Baseline; 24h Creatinine=15.8; sTyr groups=None; RAW_FILE_NAME=P37_V1
SUBJECT_SAMPLE_FACTORS           	P37	P37_V4	Treatedrial arm:Untreated	Time point=24 months; 24h Creatinine=15.7; sTyr groups=None; RAW_FILE_NAME=P37_V4
SUBJECT_SAMPLE_FACTORS           	P37	P37_V6	Treatedrial arm:Untreated	Time point=48 months; 24h Creatinine=4; sTyr groups=None; RAW_FILE_NAME=P37_V6
SUBJECT_SAMPLE_FACTORS           	P39	P39_V1	Treatedrial arm:Treated	Time point=Baseline; 24h Creatinine=10.5; sTyr groups=1) <701; RAW_FILE_NAME=P39_V1
SUBJECT_SAMPLE_FACTORS           	P39	P39_V4	Treatedrial arm:Treated	Time point=24 months; 24h Creatinine=8.6; sTyr groups=1) <701; RAW_FILE_NAME=P39_V4
SUBJECT_SAMPLE_FACTORS           	P39	P39_V6	Treatedrial arm:Treated	Time point=48 months; 24h Creatinine=3.8; sTyr groups=1) <701; RAW_FILE_NAME=P39_V6
SUBJECT_SAMPLE_FACTORS           	P40	P40_V1	Treatedrial arm:Treated	Time point=Baseline; 24h Creatinine=8.4; sTyr groups=1) <701; RAW_FILE_NAME=P40_V1
SUBJECT_SAMPLE_FACTORS           	P40	P40_V4	Treatedrial arm:Treated	Time point=24 months; 24h Creatinine=9.1; sTyr groups=1) <701; RAW_FILE_NAME=P40_V4
SUBJECT_SAMPLE_FACTORS           	P40	P40_V6	Treatedrial arm:Treated	Time point=48 months; 24h Creatinine=9.6; sTyr groups=1) <701; RAW_FILE_NAME=P40_V6
SUBJECT_SAMPLE_FACTORS           	P41	P41_V1	Treatedrial arm:Untreated	Time point=Baseline; 24h Creatinine=9.2; sTyr groups=None; RAW_FILE_NAME=P41_V1
SUBJECT_SAMPLE_FACTORS           	P41	P41_V4	Treatedrial arm:Untreated	Time point=24 months; 24h Creatinine=9.8; sTyr groups=None; RAW_FILE_NAME=P41_V4
SUBJECT_SAMPLE_FACTORS           	P41	P41_V6	Treatedrial arm:Untreated	Time point=48 months; 24h Creatinine=9.1; sTyr groups=None; RAW_FILE_NAME=P41_V6
SUBJECT_SAMPLE_FACTORS           	P42	P42_V1	Treatedrial arm:Untreated	Time point=Baseline; 24h Creatinine=11.3; sTyr groups=None; RAW_FILE_NAME=P42_V1
SUBJECT_SAMPLE_FACTORS           	P42	P42_V4	Treatedrial arm:Untreated	Time point=24 months; 24h Creatinine=8.6; sTyr groups=None; RAW_FILE_NAME=P42_V4
SUBJECT_SAMPLE_FACTORS           	P42	P42_V6	Treatedrial arm:Untreated	Time point=48 months; 24h Creatinine=2.3; sTyr groups=None; RAW_FILE_NAME=P42_V6
SUBJECT_SAMPLE_FACTORS           	P43	P43_V1	Treatedrial arm:Treated	Time point=Baseline; 24h Creatinine=11.3; sTyr groups=1) <701; RAW_FILE_NAME=P43_V1
SUBJECT_SAMPLE_FACTORS           	P43	P43_V4	Treatedrial arm:Treated	Time point=24 months; 24h Creatinine=8.9; sTyr groups=3) 901-1100; RAW_FILE_NAME=P43_V4
SUBJECT_SAMPLE_FACTORS           	P43	P43_V6	Treatedrial arm:Treated	Time point=48 months; 24h Creatinine=8.7; sTyr groups=1) <701; RAW_FILE_NAME=P43_V6
SUBJECT_SAMPLE_FACTORS           	P44	P44_V1	Treatedrial arm:Treated	Time point=Baseline; 24h Creatinine=14.8; sTyr groups=1) <701; RAW_FILE_NAME=P44_V1
SUBJECT_SAMPLE_FACTORS           	P44	P44_V4	Treatedrial arm:Treated	Time point=24 months; 24h Creatinine=15; sTyr groups=2) 701-900; RAW_FILE_NAME=P44_V4
SUBJECT_SAMPLE_FACTORS           	P44	P44_V6	Treatedrial arm:Treated	Time point=48 months; 24h Creatinine=14.9; sTyr groups=2) 701-900; RAW_FILE_NAME=P44_V6
SUBJECT_SAMPLE_FACTORS           	P46	P46_V1	Treatedrial arm:Treated	Time point=Baseline; 24h Creatinine=8.8; sTyr groups=1) <701; RAW_FILE_NAME=P46_V1
SUBJECT_SAMPLE_FACTORS           	P46	P46_V4	Treatedrial arm:Treated	Time point=24 months; 24h Creatinine=12.4; sTyr groups=1) <701; RAW_FILE_NAME=P46_V4
SUBJECT_SAMPLE_FACTORS           	P46	P46_V6	Treatedrial arm:Treated	Time point=48 months; 24h Creatinine=2.3; sTyr groups=2) 701-900; RAW_FILE_NAME=P46_V6
SUBJECT_SAMPLE_FACTORS           	P47	P47_V1	Treatedrial arm:Treated	Time point=Baseline; 24h Creatinine=12.7; sTyr groups=1) <701; RAW_FILE_NAME=P47_V1
SUBJECT_SAMPLE_FACTORS           	P47	P47_V4	Treatedrial arm:Treated	Time point=24 months; 24h Creatinine=12.1; sTyr groups=3) 901-1100; RAW_FILE_NAME=P47_V4
SUBJECT_SAMPLE_FACTORS           	P47	P47_V6	Treatedrial arm:Treated	Time point=48 months; 24h Creatinine=8.3; sTyr groups=2) 701-900; RAW_FILE_NAME=P47_V6
SUBJECT_SAMPLE_FACTORS           	P48	P48_V1	Treatedrial arm:Treated	Time point=Baseline; 24h Creatinine=7.6; sTyr groups=1) <701; RAW_FILE_NAME=P48_V1
SUBJECT_SAMPLE_FACTORS           	P48	P48_V4	Treatedrial arm:Treated	Time point=24 months; 24h Creatinine=13.7; sTyr groups=1) <701; RAW_FILE_NAME=P48_V4
SUBJECT_SAMPLE_FACTORS           	P48	P48_V6	Treatedrial arm:Treated	Time point=48 months; 24h Creatinine=3.7; sTyr groups=2) 701-900; RAW_FILE_NAME=P48_V6
SUBJECT_SAMPLE_FACTORS           	P49	P49_V1	Treatedrial arm:Untreated	Time point=Baseline; 24h Creatinine=13.8; sTyr groups=None; RAW_FILE_NAME=P49_V1
SUBJECT_SAMPLE_FACTORS           	P49	P49_V4	Treatedrial arm:Untreated	Time point=24 months; 24h Creatinine=13.7; sTyr groups=None; RAW_FILE_NAME=P49_V4
SUBJECT_SAMPLE_FACTORS           	P49	P49_V6	Treatedrial arm:Untreated	Time point=48 months; 24h Creatinine=9.2; sTyr groups=None; RAW_FILE_NAME=P49_V6
SUBJECT_SAMPLE_FACTORS           	P50	P50_V1	Treatedrial arm:Untreated	Time point=Baseline; 24h Creatinine=11.6; sTyr groups=None; RAW_FILE_NAME=P50_V1
SUBJECT_SAMPLE_FACTORS           	P50	P50_V4	Treatedrial arm:Untreated	Time point=24 months; 24h Creatinine=10; sTyr groups=None; RAW_FILE_NAME=P50_V4
SUBJECT_SAMPLE_FACTORS           	P50	P50_V6	Treatedrial arm:Untreated	Time point=48 months; 24h Creatinine=4.6; sTyr groups=None; RAW_FILE_NAME=P50_V6
SUBJECT_SAMPLE_FACTORS           	P52	P52_V1	Treatedrial arm:Treated	Time point=Baseline; 24h Creatinine=12.2; sTyr groups=1) <701; RAW_FILE_NAME=P52_V1
SUBJECT_SAMPLE_FACTORS           	P52	P52_V4	Treatedrial arm:Treated	Time point=24 months; 24h Creatinine=11.4; sTyr groups=2) 701-900; RAW_FILE_NAME=P52_V4
SUBJECT_SAMPLE_FACTORS           	P52	P52_V6	Treatedrial arm:Treated	Time point=48 months; 24h Creatinine=6.4; sTyr groups=2) 701-900; RAW_FILE_NAME=P52_V6
SUBJECT_SAMPLE_FACTORS           	P55	P55_V1	Treatedrial arm:Treated	Time point=Baseline; 24h Creatinine=11.3; sTyr groups=1) <701; RAW_FILE_NAME=P55_V1
SUBJECT_SAMPLE_FACTORS           	P55	P55_V4	Treatedrial arm:Treated	Time point=24 months; 24h Creatinine=12.4; sTyr groups=1) <701; RAW_FILE_NAME=P55_V4
SUBJECT_SAMPLE_FACTORS           	P55	P55_V6	Treatedrial arm:Treated	Time point=48 months; 24h Creatinine=11; sTyr groups=1) <701; RAW_FILE_NAME=P55_V6
SUBJECT_SAMPLE_FACTORS           	P60	P60_V1	Treatedrial arm:Treated	Time point=Baseline; 24h Creatinine=10; sTyr groups=1) <701; RAW_FILE_NAME=P60_V1
SUBJECT_SAMPLE_FACTORS           	P60	P60_V4	Treatedrial arm:Treated	Time point=24 months; 24h Creatinine=8.9; sTyr groups=2) 701-900; RAW_FILE_NAME=P60_V4
SUBJECT_SAMPLE_FACTORS           	P60	P60_V6	Treatedrial arm:Treated	Time point=48 months; 24h Creatinine=7; sTyr groups=1) <701; RAW_FILE_NAME=P60_V6
SUBJECT_SAMPLE_FACTORS           	P61	P61_V1	Treatedrial arm:Untreated	Time point=Baseline; 24h Creatinine=12.1; sTyr groups=None; RAW_FILE_NAME=P61_V1
SUBJECT_SAMPLE_FACTORS           	P61	P61_V4	Treatedrial arm:Untreated	Time point=24 months; 24h Creatinine=11.8; sTyr groups=None; RAW_FILE_NAME=P61_V4
SUBJECT_SAMPLE_FACTORS           	P61	P61_V6	Treatedrial arm:Untreated	Time point=48 months; 24h Creatinine=11.4; sTyr groups=None; RAW_FILE_NAME=P61_V6
SUBJECT_SAMPLE_FACTORS           	P62	P62_V1	Treatedrial arm:Treated	Time point=Baseline; 24h Creatinine=14.9; sTyr groups=1) <701; RAW_FILE_NAME=P62_V1
SUBJECT_SAMPLE_FACTORS           	P62	P62_V4	Treatedrial arm:Treated	Time point=24 months; 24h Creatinine=16.6; sTyr groups=2) 701-900; RAW_FILE_NAME=P62_V4
SUBJECT_SAMPLE_FACTORS           	P62	P62_V6	Treatedrial arm:Treated	Time point=48 months; 24h Creatinine=11.8; sTyr groups=3) 901-1100; RAW_FILE_NAME=P62_V6
SUBJECT_SAMPLE_FACTORS           	P63	P63_V1	Treatedrial arm:Untreated	Time point=Baseline; 24h Creatinine=5; sTyr groups=None; RAW_FILE_NAME=P63_V1
SUBJECT_SAMPLE_FACTORS           	P63	P63_V4	Treatedrial arm:Untreated	Time point=24 months; 24h Creatinine=6.1; sTyr groups=None; RAW_FILE_NAME=P63_V4
SUBJECT_SAMPLE_FACTORS           	P63	P63_V6	Treatedrial arm:Untreated	Time point=48 months; 24h Creatinine=10.3; sTyr groups=None; RAW_FILE_NAME=P63_V6
SUBJECT_SAMPLE_FACTORS           	P64	P64_V1	Treatedrial arm:Treated	Time point=Baseline; 24h Creatinine=6.1; sTyr groups=1) <701; RAW_FILE_NAME=P64_V1
SUBJECT_SAMPLE_FACTORS           	P64	P64_V4	Treatedrial arm:Treated	Time point=24 months; 24h Creatinine=8.2; sTyr groups=2) 701-900; RAW_FILE_NAME=P64_V4
SUBJECT_SAMPLE_FACTORS           	P64	P64_V6	Treatedrial arm:Treated	Time point=48 months; 24h Creatinine=4; sTyr groups=2) 701-900; RAW_FILE_NAME=P64_V6
SUBJECT_SAMPLE_FACTORS           	P65	P65_V1	Treatedrial arm:Untreated	Time point=Baseline; 24h Creatinine=10.3; sTyr groups=None; RAW_FILE_NAME=P65_V1
SUBJECT_SAMPLE_FACTORS           	P65	P65_V4	Treatedrial arm:Untreated	Time point=24 months; 24h Creatinine=9.5; sTyr groups=None; RAW_FILE_NAME=P65_V4
SUBJECT_SAMPLE_FACTORS           	P65	P65_V6	Treatedrial arm:Untreated	Time point=48 months; 24h Creatinine=13.4; sTyr groups=None; RAW_FILE_NAME=P65_V6
#COLLECTION
CO:COLLECTION_SUMMARY            	Serum and urine samples were collected at the three study sites; Liverpool,
CO:COLLECTION_SUMMARY            	Paris and Piešťany. Samples collected at Paris and Piešťany were transported
CO:COLLECTION_SUMMARY            	frozen to the Royal Liverpool University Hospital for metabolite analysis and
CO:COLLECTION_SUMMARY            	storage at -80 °C. Urine was collected over 24-h into 2.5 L bottles containing
CO:COLLECTION_SUMMARY            	30 mL of 5 mol/L sulphuric acid which was subsequently aliquoted and stored at
CO:COLLECTION_SUMMARY            	-80 °C.
CO:SAMPLE_TYPE                   	Urine
CO:STORAGE_CONDITIONS            	-80℃
#TREATMENT
TR:TREATMENT_SUMMARY             	Samples studied were from patients partaking in the SONIA 2 clinical trial of
TR:TREATMENT_SUMMARY             	nitisinone in AKU. SONIA 2 was a 4-year, open-label, evaluator-blind,
TR:TREATMENT_SUMMARY             	randomised, no treatment controlled, parallel-group study undertaken at three
TR:TREATMENT_SUMMARY             	study sites; Liverpool (UK), Paris (France) and Piešťany (Slovakia). The
TR:TREATMENT_SUMMARY             	details and outcomes of the trial are published (1). Serum and urine samples
TR:TREATMENT_SUMMARY             	were collected from participants at baseline (pre-treatment) then at 3 months
TR:TREATMENT_SUMMARY             	and 1, 2, 3 and 4 years on 10 mg oral daily nitisinone (Orfadin®) treatment or
TR:TREATMENT_SUMMARY             	no treatment. The serum and urine samples from visit 1 (baseline;
TR:TREATMENT_SUMMARY             	pre-treatment), visit 4 (2 years), visit 6 (4 years) underwent metabolomic
TR:TREATMENT_SUMMARY             	analysis. In this study, only the data from patients with samples available for
TR:TREATMENT_SUMMARY             	these three time points were included; 53 and 50 patients in treated and
TR:TREATMENT_SUMMARY             	untreated groups respectively for urine, and 47 and 45 patients in treated and
TR:TREATMENT_SUMMARY             	untreated groups respectively for serum. Reference: (1) Ranganath, L.R.;
TR:TREATMENT_SUMMARY             	Psarelli, E.E.; Arnoux, J.B.; Braconi, D.; Briggs, M.; Bröijersén, A.; Loftus,
TR:TREATMENT_SUMMARY             	N.; Bygott, H.; Cox, T.F.; Davison, A.S.; et al. Efficacy and Safety of
TR:TREATMENT_SUMMARY             	Once-Daily Nitisinone for Patients with Alkaptonuria (SONIA 2): An
TR:TREATMENT_SUMMARY             	International, Multicentre, Open-Label, Randomised Controlled Trial. Lancet
TR:TREATMENT_SUMMARY             	Diabetes Endocrinol. 2020, 8, 762–772, doi:10.1016/S2213-8587(20)30228-X.
TR:TREATMENT_PROTOCOL_ID         	Clinical trial ID: EudraCT no. 2013-001633-41
TR:TREATMENT_COMPOUND            	Nitisinone (NTBC)
TR:TREATMENT_DOSE                	10 mg daily
TR:TREATMENT_DOSEDURATION        	48 months total
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	Prior to analysis, urine samples were thawed at room temperature before
SP:SAMPLEPREP_SUMMARY            	vortexing and centrifugation at 1500 ×g for 5 minutes. 150 µL of each urine
SP:SAMPLEPREP_SUMMARY            	sample was aliquoted into a 1 mL 96-well plate (Waters Corporation, Wilmslow,
SP:SAMPLEPREP_SUMMARY            	UK) and diluted with 450 µL of deionised water. Samples were mixed on a plate
SP:SAMPLEPREP_SUMMARY            	shaker (MTS 2/4m IKA) at 600 rpm for 10 min and sub-aliquoted into multiple
SP:SAMPLEPREP_SUMMARY            	replicate 96-well plates before storage at -80 °C ready for analysis. Prior to
SP:SAMPLEPREP_SUMMARY            	analysis, sample plates were thawed then agitated on a plate shaker (MTS 2/4m
SP:SAMPLEPREP_SUMMARY            	IKA) at 600 rpm for 10 min.
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_SUMMARY        	Analysis of serum and urine samples was performed using a published LC-QTOF-MS
CH:CHROMATOGRAPHY_SUMMARY        	acquisition method, which employed a 1290 Infinity II HPLC coupled to a 6550
CH:CHROMATOGRAPHY_SUMMARY        	QTOF-MS equipped with dual AJS electrospray ionisation source (Agilent, Cheadle,
CH:CHROMATOGRAPHY_SUMMARY        	UK). Data acquisition parameters are detailed in brief below and in full in
CH:CHROMATOGRAPHY_SUMMARY        	Supplementary Materials. Reversed-phase LC was performed on an Atlantis dC18
CH:CHROMATOGRAPHY_SUMMARY        	column (3×100 mm, 3 μm, Waters, Manchester, UK) maintained at 60 °C. Mobile
CH:CHROMATOGRAPHY_SUMMARY        	phase composition was (A) water and (B) methanol, both with 5 mmol/L ammonium
CH:CHROMATOGRAPHY_SUMMARY        	formate and 0.1 % formic acid. The elution gradient began at 5 % B 0–1 min and
CH:CHROMATOGRAPHY_SUMMARY        	increased linearly to 100 % B by 12 min, held at 100 % B until 14 min, then at 5
CH:CHROMATOGRAPHY_SUMMARY        	% B for a further 5 min. MS data acquisition was performed in positive and
CH:CHROMATOGRAPHY_SUMMARY        	negative ionisation polarity with mass range 50–1700 in 2 GHz mode with
CH:CHROMATOGRAPHY_SUMMARY        	acquisition rate at 3 spectra/second. Sample injection volume was 1 and 2 µL in
CH:CHROMATOGRAPHY_SUMMARY        	negative and positive polarities, respectively.
CH:CHROMATOGRAPHY_TYPE           	Reversed phase
CH:INSTRUMENT_NAME               	Agilent 1290 Infinity II
CH:COLUMN_NAME                   	Waters Atlantis dC18 (3x100 mm, 3 µm)
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:INSTRUMENT_NAME               	Agilent 6550 QTOF
MS:INSTRUMENT_TYPE               	QTOF
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	NEGATIVE
MS:MS_COMMENTS                   	MS acquisition conditions detailed in attached Supplementary Materials. Raw data
MS:MS_COMMENTS                   	were mined using the targeted feature extraction function in Masshunter
MS:MS_COMMENTS                   	Profinder (build 10.00, Agilent) with mass targets based on chemical formulae of
MS:MS_COMMENTS                   	known/predicted phe-tyr pathway metabolites from the customised compound
MS:MS_COMMENTS                   	databases described below. A combined compound database was compiled using PCDL
MS:MS_COMMENTS                   	Manager (Agilent, build 08.00). Accurate mass retention time (AMRT) matched
MS:MS_COMMENTS                   	metabolites were present in our published AMRT database, which was generated
MS:MS_COMMENTS                   	from chemical standards using the same LC-QTOF-MS methodology employed here:
MS:MS_COMMENTS                   	phenylalanine, phenylethylamine, tyrosine, N-acetyl-tyrosine, tyramine, HPPA,
MS:MS_COMMENTS                   	HPLA and HGA. Other established phenylalanine metabolites added to the database
MS:MS_COMMENTS                   	for mining by accurate mass alone were hydroxyphenylacetic acid,
MS:MS_COMMENTS                   	phenylacetaldehyde, phenylacetamide, phenylacetic acid, phenylacetylglutamine,
MS:MS_COMMENTS                   	phenylethylamine, phenyllactic acid and phenylpyruvic acid. The remaining
MS:MS_COMMENTS                   	formulae were from non-established but theoretically possible phase 1 and 2
MS:MS_COMMENTS                   	biotransformation products derived from phenylalanine (n=74), tyrosine (n=74),
MS:MS_COMMENTS                   	HPPA (n=67) and HPLA (n=67) predicted using the Biotransformation Mass Defects
MS:MS_COMMENTS                   	tool (Agilent), in addition to the HGA biotransformation products (n=7)
MS:MS_COMMENTS                   	previously established by our group. Feature extraction parameters were accurate
MS:MS_COMMENTS                   	mass match window ±5 ppm with addition of matched retention time (RT; window
MS:MS_COMMENTS                   	±0.3 min) for AMRT database metabolites. Allowed ion species were: H+, Na+, and
MS:MS_COMMENTS                   	NH4+ in positive polarity, and H− and CHO2- in negative polarity. Charge state
MS:MS_COMMENTS                   	range was 1–2, and dimers were allowed. ‘Find by formula’ filters were:
MS:MS_COMMENTS                   	score >60 in at least 60 % of samples in at least one sample group. Where
MS:MS_COMMENTS                   	compounds were detected in both positive and negative ionisation, the polarity
MS:MS_COMMENTS                   	with the clearest signal was selected for further analysis. Extracted peak area
MS:MS_COMMENTS                   	intensity data were exported in .csv file format and imported into Mass Profiler
MS:MS_COMMENTS                   	Professional (MPP; build 15.1, Agilent), in which all statistical analyses were
MS:MS_COMMENTS                   	performed unless stated otherwise. In MPP, all data were log2 transformed and
MS:MS_COMMENTS                   	pareto scaled. Urine data were normalised to 24-h creatinine values. QC was
MS:MS_COMMENTS                   	performed based on compound signal intensity data from the pooled samples
MS:MS_COMMENTS                   	interspersed throughout each analytical sequence. Compounds were retained for
MS:MS_COMMENTS                   	subsequent statistical analyses if a) observed in 100 % of replicate injections
MS:MS_COMMENTS                   	for at least one sample group pool, and b) peak area coefficient of variation
MS:MS_COMMENTS                   	(CV) remained <30% across replicate injections for each sample group pool across
MS:MS_COMMENTS                   	batches 1 and 2 combined.
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	peak area (pareto-scaled, log2-transformed, 24h creatinine normalised)
MS_METABOLITE_DATA_START
Samples	F01_V1	F01_V4	F01_V6	F02_V1	F02_V4	F02_V6	F03_V1	F03_V4	F03_V6	F04_V1	F04_V4	F04_V6	F05_V1	F05_V4	F05_V6	F06_V1	F06_V4	F06_V6	F07_V1	F07_V4	F07_V6	F08_V1	F08_V4	F08_V6	F09_V1	F09_V4	F09_V6	F10_V1	F10_V4	F10_V6	F11_V1	F11_V4	F11_V6	F12_V1	F12_V4	F12_V6	F13_V1	F13_V4	F13_V6	F14_V1	F14_V4	F14_V6	F15_V1	F15_V4	F15_V6	F16_V1	F16_V4	F16_V6	F17_V1	F17_V4	F17_V6	F18_V1	F18_V4	F18_V6	F20_V1	F20_V4	F20_V6	F21_V1	F21_V4	F21_V6	F23_V1	F23_V4	F23_V6	F24_V1	F24_V4	F24_V6	F25_V1	F25_V4	F25_V6	F26_V1	F26_V4	F26_V6	F29_V1	F29_V4	F29_V6	F31_V1	F31_V4	F31_V6	F32_V1	F32_V4	F32_V6	L01_V1	L01_V4	L01_V6	L03_V1	L03_V4	L03_V6	L06_V1	L06_V4	L06_V6	L07_V1	L07_V4	L07_V6	L08_V1	L08_V4	L08_V6	L09_V1	L09_V4	L09_V6	L10_V1	L10_V4	L10_V6	L11_V1	L11_V4	L11_V6	L12_V1	L12_V4	L12_V6	L13_V1	L13_V4	L13_V6	L14_V1	L14_V4	L14_V6	L15_V1	L15_V4	L15_V6	L16_V1	L16_V4	L16_V6	L17_V1	L17_V4	L17_V6	L18_V1	L18_V4	L18_V6	L21_V1	L21_V4	L21_V6	L22_V1	L22_V4	L22_V6	L23_V1	L23_V4	L23_V6	L24_V1	L24_V4	L24_V6	L28_V1	L28_V4	L28_V6	L29_V1	L29_V4	L29_V6	L30_V1	L30_V4	L30_V6	L31_V1	L31_V4	L31_V6	L33_V1	L33_V4	L33_V6	L35_V1	L35_V4	L35_V6	L37_V1	L37_V4	L37_V6	L38_V1	L38_V4	L38_V6	L40_V1	L40_V4	L40_V6	P01_V1	P01_V4	P01_V6	P02_V1	P02_V4	P02_V6	P03_V1	P03_V4	P03_V6	P05_V1	P05_V4	P05_V6	P06_V1	P06_V4	P06_V6	P07_V1	P07_V4	P07_V6	P09_V1	P09_V4	P09_V6	P11_V1	P11_V4	P11_V6	P12_V1	P12_V4	P12_V6	P13_V1	P13_V4	P13_V6	P15_V1	P15_V4	P15_V6	P16_V1	P16_V4	P16_V6	P17_V1	P17_V4	P17_V6	P18_V1	P18_V4	P18_V6	P20_V1	P20_V4	P20_V6	P21_V1	P21_V4	P21_V6	P22_V1	P22_V4	P22_V6	P23_V1	P23_V4	P23_V6	P24_V1	P24_V4	P24_V6	P26_V1	P26_V4	P26_V6	P28_V1	P28_V4	P28_V6	P29_V1	P29_V4	P29_V6	P30_V1	P30_V4	P30_V6	P31_V1	P31_V4	P31_V6	P32_V1	P32_V4	P32_V6	P33_V1	P33_V4	P33_V6	P34_V1	P34_V4	P34_V6	P35_V1	P35_V4	P35_V6	P37_V1	P37_V4	P37_V6	P39_V1	P39_V4	P39_V6	P40_V1	P40_V4	P40_V6	P41_V1	P41_V4	P41_V6	P42_V1	P42_V4	P42_V6	P43_V1	P43_V4	P43_V6	P44_V1	P44_V4	P44_V6	P46_V1	P46_V4	P46_V6	P47_V1	P47_V4	P47_V6	P48_V1	P48_V4	P48_V6	P49_V1	P49_V4	P49_V6	P50_V1	P50_V4	P50_V6	P52_V1	P52_V4	P52_V6	P55_V1	P55_V4	P55_V6	P60_V1	P60_V4	P60_V6	P61_V1	P61_V4	P61_V6	P62_V1	P62_V4	P62_V6	P63_V1	P63_V4	P63_V6	P64_V1	P64_V4	P64_V6	P65_V1	P65_V4	P65_V6	P63_V1	P63_V4	P63_V6	P64_V1	P64_V4	P64_V6	P65_V1	P65_V4	P65_V6
Factors	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated
Phenylalanine N-acetylcysteine	0.17472485	2.785885	3.16244	-0.21332519	-0.29267415	0.81904835	-0.7951523	-0.58136535	0.23733962	-0.42368832	2.1397374	-0.13409573	-0.46003547	2.0736625	2.5637782	-1.5197818	-1.2719804	-0.13590118	-0.47644198	-0.5435934	0.20877124	-0.6411354	1.853588	1.7634971	-0.5914222	2.5034723	2.2841341	-0.18153088	0.7432497	0.98313344	-0.863317	2.4733114	2.4422407	-0.44535765	-0.05822792	-0.15095212	-2.2396302	-0.15609705	0.4076311	-1.6529616	-1.4413451	-0.5815135	-0.31125382	2.5977812	3.0140007	-0.55520535	2.0400789	2.9829926	-0.20805101	3.1031566	2.825017	-0.73500645	-1.3442	0.8907142	-0.72764134	2.9642296	2.5468006	-0.76470983	0.040513948	0.15455168	-0.108588904	0.09163194	0.47840425	-0.52114004	2.0977633	2.4935505	-0.43797684	-0.8579001	-0.063306354	-0.7218643	1.6057227	2.292824	-0.8811365	2.6468143	2.2989218	-0.21579303	1.9481566	1.8119861	-0.25322813	1.779059	2.9013894	-1.331248	-0.9225161	-1.1467308	-0.50490224	-0.26528454	-0.94649863	-1.3833367	2.522956	3.0819647	-2.1202612	2.4154415	2.229382	-1.400517	2.284198	2.1987233	-0.49001297	-0.2515849	-0.9765556	-0.92124593	2.7233791	2.2405393	-1.0068867	-1.2587895	-0.21601419	-2.2593815	1.8788061	2.5063012	-1.2957926	-0.9878112	-1.4552377	-0.75445074	1.9175918	2.3282857	-0.8402554	-0.8188964	-0.7398097	-1.6791059	1.6536883	2.4303253	-1.0982981	-1.098324	-1.3296189	-2.768376	2.1374187	2.172374	-2.8235085	-0.52841	-0.6477333	-0.90073913	2.0134642	2.6693244	-1.1406467	-0.7697547	-0.19144173	-1.214304	-1.3239268	-0.15485178	-1.8193469	2.1463091	2.318337	-0.9520875	-1.0401063	-0.7371261	-0.7233864	1.8823012	2.6415443	-0.99738085	-0.12648131	-0.29631698	-0.29485703	2.273503	2.7115774	-1.0499761	-1.7299644	-0.60014886	-2.753577	-0.94676197	-1.794224	-0.08564077	-1.8476238	-0.9741256	-0.2596654	2.0708578	1.9822662	-3.7861164	-0.46545836	-1.3410741	-2.1563897	2.1149426	2.6253757	-2.554628	1.6148355	2.002341	-2.5628421	-0.7122768	-0.21874319	-2.0469158	-1.0873717	-0.24293986	-1.2835004	2.1218903	2.342699	-1.374543	-2.2983453	-1.0102267	-2.6191666	2.0472147	1.8899914	-1.1173838	-0.007251048	-0.29956236	-2.2026992	-0.18196562	-0.7223834	-1.865599	1.8277227	1.7473533	-1.9721351	-0.48424402	-0.84369975	-1.0780989	-1.7739	-0.96972144	-1.8261254	1.9082136	1.8670524	-2.8605278	-2.1194444	-1.8704768	-1.943485	-2.1970994	-1.4949477	-1.5570774	2.0738268	2.537007	-2.6074696	1.9248786	1.8791872	-2.2534232	-1.721454	-1.1985658	-2.027145	2.1054568	2.2723486	-2.2565806	-2.2668598	-1.7377253	-1.0211369	-1.1593755	-1.9814457	-2.1059203	1.800651	0.010766806	-2.0023663	2.2756886	2.2995057	-1.828744	-0.8188407	0.5098033	-1.8267456	-1.0107934	-1.1349237	-1.3478147	1.4002228	1.4393363	-1.1844666	-0.98644966	-1.3844268	-2.5708983	-1.438191	1.0266235	-2.8355868	2.0393565	2.565695	-0.8007569	1.83E-04	-0.7903545	-2.6859794	-0.96288186	-0.6598935	-0.07432406	0.42463404	1.0098433	-1.6078835	2.3208957	2.0026174	-1.342136	2.0334406	1.9178255	-1.2778282	1.6188271	3.256642	-1.2699159	2.280464	2.471745	-1.1183246	0.17761391	2.8774798	-1.0355221	-1.0158978	-0.18289945	-1.6910158	-0.5217321	-0.051620327	-2.3712323	2.138698	2.4499328	-1.4046308	2.1818695	2.127337	-0.80770564	2.166958	2.3685431	-1.5847212	-0.7912397	-1.8286711	-1.105315	1.8035233	1.9314035	-1.1172736	-0.27283838	-0.91148865	-0.16411594	2.4666498	2.7633166	-0.07940249	-1.8440859	-0.50665414	-1.1172736	-0.27283838	-0.91148865	-0.16411594	2.4666498	2.7633166	-0.07940249	-1.8440859	-0.50665414
O-Methyl-phenylalanine	-0.32286927	2.7383566	2.6667795	0.12196792	-0.49585965	0.55520725	-0.3074548	-1.6423736	-0.62630934	0.8853168	2.2233477	-0.17636564	0.27783883	1.5844793	1.9441684	-0.5281938	-0.94385177	-0.66544604	-2.1680129	-3.3020585	-0.211075	-0.3065522	2.29914	2.3839037	0.20691499	1.9067512	1.6339391	-0.71796024	1.482825	0.9847348	-3.194978	1.5084046	0.70729285	-0.589465	-0.5229062	-3.250181	-1.4744302	0.033909813	0.57776433	-0.30925262	-1.2942653	-0.9656005	0.8171948	3.561594	4.5966773	0.50471556	2.085192	3.1510658	0.986454	3.075445	2.0213592	-1.065593	-1.7585139	0.007414532	-0.27490604	4.006635	3.0287664	-0.7692327	0.58237934	-1.6515727	-0.7194858	-1.0476278	0.75229317	-1.1572001	2.0253525	2.051231	-0.1886708	-1.3562894	-0.33156314	0.36285365	1.5386049	2.0191433	-1.8840183	2.3811145	2.1264646	1.2145932	1.1149122	1.2796725	-1.8716568	1.5374506	2.6094956	0.1778551	-0.16471823	-1.058097	-0.09841653	0.93098795	-0.03820705	-0.78535956	0.91467595	1.3368715	-1.1346216	1.1168268	1.7997553	0.51350474	1.5203983	1.6368707	0.575956	-1.906037	-0.20609894	0.56749535	2.5931644	0.9707696	-2.0937068	-0.90938985	0.709239	-2.1028872	-0.014639431	1.9626843	-1.0157101	-1.2461363	-1.2126436	0.4416476	0.67950714	1.9820179	0.58885765	0.1961924	0.46785358	-0.2975454	1.455233	1.3971177	0.085362226	-0.35566294	0.29103464	-1.5331295	2.0820332	2.3686504	-1.3616023	-1.0342014	-1.2690692	0.20701608	2.0218935	1.8468877	-0.20931818	0.235986	0.41798174	1.2912568	-1.0419904	1.1378614	-0.11537656	2.788256	3.2785063	-1.3218215	-1.6469256	-0.76615584	0.4620979	1.7036892	2.8833363	0.48657727	-0.43304172	-0.57221055	0.94884884	2.217493	2.4429665	-1.8040612	-3.509816	-1.4163995	-0.8296882	-1.490626	-3.6624763	0.8288126	-0.9310853	-0.4617776	0.23152903	2.1688504	1.8179437	-0.5562423	-0.47242588	-0.8557273	-3.4647017	1.1932306	1.3360732	-3.8532372	0.95912385	1.6395365	-1.3257754	-1.6214879	0.54385597	-3.7194548	-2.5151272	-0.5577366	-1.5888067	2.5024416	1.7961881	0.57339907	-0.65922827	-0.753706	-1.7284507	1.7044672	1.8025725	-0.34430254	0.5812606	-0.33754802	-3.4647017	-1.468859	-2.0439408	-3.882246	-0.06549446	0.576657	-0.30273816	-0.6484196	-1.1416483	-2.0646682	-1.4601817	0.12954019	-1.241261	1.7619361	1.7703893	-0.44516295	-1.7769582	-0.23584875	-1.0976831	-0.6116249	-1.3433356	-0.86155957	1.2715303	2.078278	-2.0978198	1.0805422	0.6248845	-0.33413374	-2.2833607	-0.15019496	-3.1151562	0.94665414	1.5172662	-1.793873	-2.5778348	-2.809333	-3.5185618	-3.290797	-0.5475914	-0.56024224	0.84870255	-0.16491754	-3.50098	2.1398602	2.782843	-3.445973	-1.8988665	-0.39252803	-1.2195898	-0.9299247	-0.37460673	-0.26803592	1.3758479	1.9050297	-1.6481231	-0.8410121	-1.0475937	-2.0804873	-1.2523504	-0.2818405	-1.0266272	0.68109596	0.57601064	0.18061191	0.67418087	-0.5049584	-1.2112547	-2.0809627	-3.445973	0.033479292	0.44000524	0.97582304	-0.1804385	2.9182706	2.275708	-0.3994588	2.349634	2.0356588	0.022815917	0.30373728	2.7016518	-1.7686783	1.9534166	2.3319616	-0.37379038	-0.16398075	1.9695338	-0.73043966	-0.27968162	0.7705382	-0.9700173	-1.5265417	-1.6069683	-1.4196745	1.5344118	1.7940013	-0.17959683	2.8515985	2.2054083	-3.52722	-0.26456013	0.7532493	-1.3587674	-0.40495706	-1.1828127	-2.6093419	1.3461413	1.7688905	-1.4620006	-1.0917933	-2.1743898	-1.2816269	2.6588302	2.9579263	0.654173	-3.4830317	-0.1153982	-1.4620006	-1.0917933	-2.1743898	-1.2816269	2.6588302	2.9579263	0.654173	-3.4830317	-0.1153982
Phenyllactic acid	0.19785361	2.6583734	2.5657578	0.06918559	0.14231008	-0.17350319	-0.7761929	-0.42199227	0.23464501	0.010664406	1.9593012	-0.31662253	-0.18727891	2.509953	2.7774467	-1.4061508	-0.77482826	-0.08473119	-0.44351822	-0.8580697	-0.13019742	-0.8175225	1.3674773	1.862605	-0.6841222	2.3236256	2.067554	0.030945942	0.7891179	1.0846038	-0.53985614	2.142731	1.1482936	0.021716963	0.54394513	-0.49605724	-0.9942389	-0.028110482	0.68568766	-0.83592063	-1.5892956	-0.2772227	0.12509836	1.3268203	3.3330286	-0.14630389	0.7650842	2.3876045	0.3823068	3.525443	2.414038	-0.29516676	-1.1575642	0.7709809	0.5001804	3.61604	3.266667	-0.2753399	-0.053714454	0.37715465	-0.47393137	1.0188341	1.1649207	-0.53738135	2.504199	2.6665647	-0.33693457	0.23207687	-0.35895425	-0.41793317	1.5728217	2.3499794	-1.3596826	2.3683496	2.272691	-0.14110228	1.9197378	2.3710728	-0.19246037	1.59682	3.0458755	-0.68046343	-0.23160265	-0.8069399	0.38853922	0.27393684	0.29628545	-1.0666536	1.1187295	1.9822057	-1.7802217	1.0610975	2.0181868	-0.26192853	1.8312343	1.6337566	-0.009348596	0.5790924	-0.091600135	-0.3278356	2.4614937	1.2760541	-1.0649698	-0.9875024	-0.44050395	-1.2818215	0.7567841	2.0346308	-0.6726815	-0.8062771	-0.848513	-1.1196357	0.9147692	2.0884142	-0.28728288	-0.5284984	-0.18151584	-1.7591864	1.9569442	1.6950871	-0.17988938	-0.6648611	-0.7649908	-1.1870136	1.5684996	2.0820243	-1.2840863	-0.058572456	-0.24997517	-1.3781344	1.389486	1.2713902	-0.5270825	-0.7042109	-0.49399868	-0.5743076	-2.5080976	-0.97545874	-1.5517492	2.0577319	2.4162827	-0.7047217	-1.3429792	-1.0720048	-0.5601596	2.3878	2.408909	-0.84679747	-0.67780805	-0.6309967	-0.05621425	2.1804402	2.7772284	-0.26967144	-0.8254052	-0.20879814	-0.5269336	-1.529339	-1.7347579	-0.101918496	-2.05046	-1.5869124	0.38218722	1.6872362	1.5448858	-1.9589851	-0.063658096	-1.2580087	-0.9594902	0.48432785	1.1422089	-2.486183	1.8533126	0.95051813	-1.0938773	-0.54433084	0.40670606	-1.7147931	-1.7947578	-0.8300703	-1.9427853	0.2767918	1.056735	-1.5555612	-1.965976	-1.709492	-2.0740018	0.82889485	1.6003256	-0.9267701	-0.28964356	-0.9040724	-0.904463	-0.8090308	-0.1972903	-1.8283818	0.29453084	0.80568266	-1.2776641	-0.61609495	-1.5856173	-1.3162236	-1.6963601	-1.096725	-1.5667608	1.5501503	1.4258196	-1.6502031	-1.7595129	-1.2781347	-1.7927694	-1.0859795	-1.0542231	-1.1403903	1.1753947	1.5738837	-1.5572896	1.6794219	1.0190477	-1.6927997	-1.756141	-0.87381244	-1.4698236	1.2005831	1.6843336	-1.5422834	-1.7781789	-1.3471011	-0.70712143	-1.3403121	-1.3053071	-1.3667912	1.1200489	-0.9619015	-0.9279541	1.6874009	2.5264616	-1.7328379	-1.3035678	-0.2833367	-1.2904017	-0.84664667	-1.6230251	-1.1032156	1.0408281	0.90475285	-0.07632307	-0.1634625	-0.65761256	-2.8892643	-1.9860122	-0.008937864	-1.9313664	0.742088	0.98216105	-0.25202456	-0.15360554	-0.8212942	-1.1687058	-1.1580842	-0.028587738	0.2977923	0.894927	1.7146984	-0.5814042	0.90534484	0.7902652	-0.15907566	2.1453087	2.066204	-0.9572687	0.71271425	3.1909895	-0.30693522	2.4120703	2.7577584	-0.5740873	-0.9739916	2.2614675	-0.96863437	-0.43453884	0.49512714	-2.0736175	-2.5975726	-1.3833891	-1.3157048	1.4869658	2.0612593	-1.5793446	1.5695529	0.8924761	-1.3735058	1.1241074	1.996172	-0.9840408	-0.1534316	-1.2266624	-0.7193879	0.3453738	1.7081182	-1.0626256	-0.69370395	-1.4753432	0.05505651	1.6321467	2.5642197	0.054098945	-1.9259025	-0.72182727	-1.0626256	-0.69370395	-1.4753432	0.05505651	1.6321467	2.5642197	0.054098945	-1.9259025	-0.72182727
Tyrosine	-0.6239922	1.986868	1.9875165	-0.14962272	-0.020906396	1.0333515	-0.78808194	-1.0777038	-0.6766957	0.3924816	2.032037	-0.1768572	0.27217597	2.4234936	2.9810777	-1.6177515	-2.4393785	-0.8769445	-0.5875458	-0.53941727	0.6426652	-0.19098896	1.605237	1.4976736	0.7469079	2.891894	2.628567	-1.5766253	-0.63050544	-0.05555753	-1.981648	0.9524959	0.2649962	-0.12221155	0.1837613	-0.5281719	-0.60155135	-0.15397757	0.4608241	-1.3840528	-2.0393481	-0.7418761	0.24001324	1.6323342	3.0524898	0.21823186	1.010769	2.2473204	-0.16923477	2.6415844	1.6173444	-1.3553511	-2.1388328	-0.12669519	0.2282767	3.5354092	3.2067158	0.28354624	0.8735028	0.9022439	-0.18810256	-0.8518172	0.017135298	0.22657657	2.5435863	2.5791059	-0.4001474	-0.67145616	-0.24579318	-0.38197017	0.74412054	1.8950802	-0.20122989	3.529063	2.9278202	0.045227945	1.4625591	1.944342	-1.5599087	-0.06666632	1.6201816	-0.87689143	-0.68461	-0.5408009	-0.26445386	-0.25783843	-0.6203797	-1.0193079	-0.42987353	1.4591964	-1.2952076	1.4650418	1.9977963	0.2171129	1.9716581	1.9204315	-0.47494355	-0.71804965	-1.0463773	0.0748434	3.0922651	1.6846806	-1.1020216	-0.9659235	0.1857766	-1.4259497	0.61248934	1.3709306	-1.1196868	-0.60341394	-0.42623574	0.08108994	1.1776655	1.9265926	0.35419527	-0.10913664	0.24585596	-0.8547612	1.3439277	1.5600473	-0.56208396	-0.85074353	-0.4351681	-1.7346445	0.6283471	1.2302097	-1.5559797	-1.6661783	-1.1899774	-0.60176885	1.2781099	1.7019355	-1.0235041	-1.0416516	-0.8884487	0.31789514	-0.7097205	0.28957728	-0.253536	2.3448641	2.1962698	-0.98975253	-1.4007409	-1.1638974	0.015263663	1.5773307	2.1427639	-0.40466082	-0.76961994	-0.5005672	0.8549651	1.5373055	2.3299143	-0.27622536	-0.6377531	-0.11035722	-0.60740703	-1.2629374	-1.533258	-0.23150611	-1.0501491	-0.7832165	-0.9864351	1.4330479	1.1076772	-1.4932444	-1.654777	-1.7947122	-1.4772869	0.39146554	1.0155438	-1.7800899	0.8149333	1.1234592	-1.2197572	-1.2638758	-0.18424991	-1.3646789	-1.754129	-1.1868204	-1.7715576	0.6099284	0.7082909	0.6341445	-0.27207568	-0.032331005	-1.2917038	1.229481	1.4683293	-0.31328076	0.1778901	-0.44929725	-1.0502254	-1.1673443	-0.5564056	-1.175887	0.7504745	0.8681882	-0.10351527	-1.1848763	-1.5905914	-0.6598665	-0.5178456	-0.29162428	-1.4237705	1.4032726	1.1680355	-1.3783175	-0.85893226	-0.41992965	-1.5580242	-0.84233993	-1.2610736	-0.56325793	1.3980525	2.1028278	-0.5073289	1.5123101	1.1009233	-0.020048887	-0.81519216	0.2626709	-0.73641527	0.955258	1.3362871	-0.5314945	-1.1051668	-1.277075	-1.0544624	-1.1194681	-0.6201603	-1.3162596	1.3173314	0.74407524	-1.2785875	1.2892594	1.7731353	-1.2343316	-0.8016817	0.002946595	-0.5144796	-0.88260275	-1.2385143	-0.52073973	0.4195284	0.5840744	-0.50439656	-0.60143876	-1.0179048	-0.5112437	-0.1036434	0.65380186	-0.6126984	0.9549124	1.5863097	-0.5206129	0.34507462	-0.56109893	-0.9130181	-1.2282592	-0.6861743	-0.26371092	0.34637284	1.1612544	-0.6303805	1.8736548	0.951718	-0.83672506	1.8094329	1.5432931	-1.1715012	0.035168875	2.3056712	-0.33670792	2.3373764	2.514629	-0.016592316	0.8922256	3.403437	-1.8313683	-1.4919474	-0.90572315	-1.1267612	-1.0736629	-0.104048535	-1.1739746	1.5081178	1.6646465	-0.62958187	1.2973764	0.76233274	-0.88683206	1.127706	1.5898937	-0.8814618	-0.85891414	-0.87505084	-1.2431138	0.5597567	0.98473954	-0.63367724	-1.2625899	-1.5675001	-1.5153234	0.6671984	0.9979484	-0.8805635	-1.769418	-1.4614486	-0.63367724	-1.2625899	-1.5675001	-1.5153234	0.6671984	0.9979484	-0.8805635	-1.769418	-1.4614486
N-Acetyl-tyrosine	0.033034347	2.7336977	2.8950183	-0.61893475	-0.7707927	0.2336305	-1.0325943	-1.2751961	-0.81476575	0.3002599	2.214348	-0.08743676	-0.22430925	1.719449	2.024142	-0.27580535	-0.8308565	-0.32578275	-1.3014315	-1.4792292	-0.06707461	-0.32707623	2.2686992	2.77528	0.11209919	1.9536558	1.819704	-1.9905591	-1.1313018	-0.3747744	-1.9198171	1.5451472	0.9652275	-0.9404345	-0.051887605	-1.0408276	-0.6231906	-0.6724456	0.61021525	-1.3579658	-2.4177887	-0.48339272	1.0393932	3.4084847	4.6849895	0.58397	2.299206	3.3652866	-0.10683455	3.2100697	2.0012817	-0.34374267	-0.5809788	0.73819953	-0.01115639	4.3144345	3.3524072	-0.6824136	-0.49953136	0.26028803	-0.3249004	-0.97212684	-0.067965046	-0.62578046	2.3845038	2.247302	-1.3452018	-1.4372461	-0.8580222	-0.3244875	1.7029154	2.3784094	-0.99692154	2.416072	2.2118177	-0.52328086	0.78184575	1.1291155	-1.069974	1.8504835	2.7180972	-1.4064049	-1.487455	-0.975632	-0.21620297	-0.6592733	-0.44141823	-1.0133616	0.9567793	1.3180362	-1.2097319	1.1035991	1.7072775	-0.19443646	1.4796641	1.2938675	0.96375036	0.007718235	0.5330802	-1.0982236	2.2783055	1.2197583	-1.8015033	-1.5444276	-1.2045562	-1.4364902	0.34598145	1.6318252	-0.46921915	-0.39443147	-0.10201109	-0.16598594	0.53564644	2.1444151	3.46E-05	-0.3806015	-0.016183116	-0.541097	1.558976	1.2531097	-0.34131274	-0.8174417	-0.07041864	-1.3999189	2.3267586	2.6962416	-0.839341	-1.6767169	-0.9970601	-1.2597041	2.2127047	2.0471108	-1.1353335	-1.0554585	-0.8476696	0.30019578	-1.1934923	0.12981834	-0.1986842	2.7394478	3.0524101	-0.84316665	-1.0737545	-0.79334456	-0.66574425	1.8028436	2.642326	-0.6078361	-0.64206463	-0.45644704	0.047920503	2.3939867	2.766446	-1.443747	-2.121433	-0.78108585	-0.9969308	-1.5228137	-1.2663033	-0.59729415	-1.0024471	-0.625311	-0.6797313	2.0539906	2.0402045	-1.5920699	-1.4016588	-1.405779	-1.8804567	1.1516327	1.5652206	-2.6159377	1.1576232	1.6693689	-0.7285913	-1.052685	0.65392953	-1.5159765	-1.6285204	-1.4650614	-1.0164325	2.488406	1.8929816	0.6319852	-0.11344812	-0.48583418	-1.5690428	1.6261545	2.0061648	-0.12199731	0.053610723	-0.43296665	-1.0631987	-1.2374307	-0.6394724	-1.7486439	-0.17798021	0.70782787	-1.4332945	-2.4433491	-1.9207295	-1.2522845	-1.3686892	-0.4983216	-1.0158498	1.9811218	1.9964751	-0.088025756	-0.6074654	0.057666175	-1.4623255	-0.68038267	-0.66843516	-1.1445577	1.5667115	2.1288598	-1.5910593	1.2144088	0.8711327	-0.21600547	-0.7203898	-0.25665873	-1.8316938	0.7950371	1.6150179	-1.1858884	-1.0599084	-1.566181	-1.21564	-0.9442792	-0.9401683	-2.2078784	0.5732698	-1.4534084	-1.5428085	2.2196457	3.1110365	-1.5592266	-1.3903518	-0.8178673	-1.8065007	-1.8091234	-2.4243076	0.004161125	1.6810957	2.0256364	-0.8035135	-0.7092507	-1.1571474	-2.3190293	-1.2889811	-0.7240404	-1.2158628	0.75684553	1.0794442	-0.25032234	0.71477693	-0.15296611	-1.7012061	-1.5843413	-0.7010919	-0.583314	0.32337302	0.52082205	-0.6582016	2.9358199	2.5912585	-0.85378134	2.2755198	2.1534765	-1.5996581	0.36429825	2.9145951	-0.8171414	1.9543442	2.1141427	-1.7205462	-1.5267161	1.8440356	-0.51119477	-0.45584014	0.7567901	-1.5707595	-1.4185418	-0.71018964	-1.688997	1.5398254	2.0237875	0.015967727	2.717164	2.1737924	-2.024157	0.36732468	0.9054819	-1.0851125	-1.4811435	-1.1016241	-1.322028	1.2511382	2.0135493	-0.43243828	-1.2139976	-1.1388687	-0.34378022	2.7029285	3.1911292	-1.1406577	-1.947174	-1.8697912	-0.43243828	-1.2139976	-1.1388687	-0.34378022	2.7029285	3.1911292	-1.1406577	-1.947174	-1.8697912
Tyrosine-sulfate	0.30063385	1.7400807	1.6473886	0.44432887	0.112061016	1.1639843	0.015455253	-0.53654236	-0.13906658	1.0499117	0.58493227	0.04024538	0.21778359	1.3783975	1.7253286	0.05481021	-0.7360979	1.5056279	-0.2976831	-0.067520194	0.90066	-0.29487798	-0.24923496	0.17722093	0.019724717	1.6902533	1.4063478	-0.73471147	0.023239171	0.93777984	-0.3331213	1.0626224	0.27628538	0.81714207	0.9692375	0.748907	-0.31368157	0.56656873	1.0502053	-0.74045	-1.1390201	0.37862024	0.76237833	1.0294815	2.6177905	0.45483682	-0.17703591	1.3921341	0.9518038	2.6151264	1.2193613	0.23613684	-0.5721168	1.9189054	0.75183576	2.7708426	2.0978875	-0.26992804	0.7241358	1.2293828	-0.057779863	-0.22851117	0.5417085	0.7085247	1.3409572	1.309442	0.28643826	-0.81059974	0.15289687	-0.27798358	-0.18017483	0.5935853	0.033303075	2.0681689	1.5285947	0.49462715	0.6917791	0.80369836	-0.41856566	0.09606096	1.9114703	-0.0689688	-0.3458974	-0.12298621	0.36609763	0.54424363	0.077491194	0.1542447	0.4325747	1.0697136	-0.75000846	0.57688457	1.0657244	0.52755	1.321116	1.1751527	0.44455642	0.04985502	0.14892657	0.14388478	1.7817283	0.41536456	-1.263799	-0.72598124	0.54502463	-0.20700088	-0.14703235	0.9824191	-0.88808304	-0.13665196	-0.40786564	0.29117066	0.020387614	0.8556956	0.29295385	-0.1133073	0.17116904	-0.33070195	0.4089143	0.68240166	-0.07796593	-0.7308632	-0.15985413	-0.69145864	0.3046498	0.44942108	-0.51345044	-0.58773184	-0.4298475	0.17253341	-0.29565582	0.27790642	-0.2749769	-0.61626554	-0.21043976	0.51206714	-0.47640932	1.0044591	-0.11754605	0.90429884	1.1305261	0.61654973	-0.27293706	0.2301873	0.15161832	0.19854935	1.6063851	-0.04480378	-0.25066468	0.112769574	1.2207886	0.742123	1.2289056	-1.048778	-1.0878739	-0.19970429	-0.06803508	-0.40540537	-1.0608479	0.2112538	-0.85326445	-0.5681646	-0.690358	0.23834676	-0.27016422	-1.111976	-0.7066273	-0.97115535	-0.9422658	-0.0385598	0.43314624	-1.5157131	-0.43708348	-0.019816043	-0.9010135	-0.99969614	0.45919526	-0.8211691	-0.7370214	-0.25450113	-1.2132716	-0.11747047	0.47394747	-0.08401073	-1.2194952	-0.27434552	-0.9624424	0.54088193	0.51834893	-0.42426407	0.51918894	-0.23215237	-0.76992214	-0.5435414	9.86E-04	-1.5514638	-0.5039518	-0.43271482	-1.0004157	-0.83717465	-1.178805	-0.7864662	-0.7437487	0.12448285	-0.821647	0.33071926	0.15319762	-1.2202628	-0.49577975	-0.45008004	-1.9854391	-0.9788062	-1.3385937	-0.35281295	0.076262236	0.66277456	-0.6671314	0.025440428	-0.28547618	-0.40139806	-1.0723722	0.19343354	-1.0429167	0.08074033	0.27491236	-0.79013574	-1.3154026	-1.4800041	-0.7630782	-0.8627245	-0.4390147	-0.6294235	0.5363141	0.18037322	0.47774297	1.0716913	1.5264076	-0.92083895	-0.26915413	0.8432919	-0.73522	-0.8243017	-0.9661151	-0.27937785	-0.67550427	-0.55509794	0.00507171	-0.09474777	-0.39531863	-0.84408	-0.48967984	0.95844066	-0.72372484	-0.22608553	0.034054935	-0.064671785	0.18353891	-0.02444451	-0.32890615	-0.48167625	-0.15822445	0.09050585	0.5579259	1.3887329	-0.59067476	0.7369513	-0.16595325	-0.44195914	0.7778352	0.38725758	-0.06185093	-0.678718	2.0327568	-0.5763327	1.1994185	1.458071	0.082208626	-0.13508841	1.5712358	-0.72507423	0.053737927	0.29960328	-0.45467386	-0.011613287	1.0724604	-0.7319906	0.7750828	0.803337	0.19002852	0.8237301	0.21919204	-0.67464846	-0.032685842	0.2886167	-0.9368343	-0.77102196	-0.45517614	-0.42915705	-0.59117544	-0.042788323	0.48653698	-0.17069036	-0.21200016	-0.2842063	0.6596097	1.036768	-0.20334472	-1.0706977	-0.75376934	0.48653698	-0.17069036	-0.21200016	-0.2842063	0.6596097	1.036768	-0.20334472	-1.0706977	-0.75376934
HPPA	-1.4381306	3.5037386	3.6750417	-1.2148069	-0.44575545	1.8797653	-0.14920692	-1.1094654	-0.55829525	0.13633037	3.01064	0.097905606	-0.12927419	3.099355	3.4211044	-1.7083036	-2.1790009	-1.1840918	-1.9556205	-2.1031697	-0.562086	-0.66004825	2.6807528	2.9715059	-0.08780062	3.1952462	3.3845851	-1.5184116	-1.3110747	-0.61536413	-1.5667212	3.2960513	3.309121	-1.515862	-1.5416821	-1.4953215	-2.0025244	-1.9010838	-0.9606879	-0.5358137	-1.643661	-0.5374658	-1.1926562	2.5979025	3.906694	-0.8920183	2.268993	3.6264832	-0.69912124	3.9650378	3.320513	-1.7508167	-2.5469172	-0.8654165	-1.3839434	3.8649766	3.5178325	-1.4189607	-1.60068	-0.82599086	-0.17640725	-1.943118	-1.4944153	-1.3093158	3.0634956	3.541855	-1.8175887	-2.3283098	-1.5955065	-1.3473239	2.2691262	3.061936	-1.9841268	3.5885026	3.416522	-1.1043451	2.9919312	3.2346234	-1.9530638	2.3743043	3.516904	-0.75705105	0.14000994	-0.21513498	-1.1726838	-0.8025172	-1.0495147	-1.2680167	2.7753677	3.2466242	-1.758866	3.0119224	3.2754428	-0.12748344	3.2949753	3.1987598	-1.1760647	-1.0676287	-1.5592718	-1.7194059	3.6936605	3.2240856	-1.8470633	-1.599449	-1.4483916	-1.9818927	2.8094616	3.2809248	-1.4819655	-1.0436711	-1.3753625	-0.7837671	2.6675446	3.281162	-1.366801	-1.5301722	-1.4831791	-0.67183846	2.8923085	3.1926718	-1.36608	-1.7319987	-1.4610441	-2.0668533	3.022196	3.189745	-1.8692728	-1.7633829	-1.3780382	-1.7771016	3.0945086	3.3949049	-1.7213314	-1.5352446	-1.3444176	-0.4772204	-1.2183871	-0.4195939	-1.6085519	3.2162697	3.261945	-1.6784332	-1.6237636	-1.4959004	-1.2954315	2.9302263	3.3255296	-1.3339381	-1.2979807	-1.1827147	-1.2449253	3.266217	3.5768192	-1.9970322	-0.8368622	-0.60388386	-1.6697266	-1.9303273	-1.68841	-1.4086404	-1.9017974	-0.7220461	-1.9651997	2.8025968	2.8954926	-2.7005408	-2.176778	-2.307541	-1.4612237	2.946344	3.405279	-2.5818417	1.9283552	2.752381	-0.97817206	-1.6248289	-0.58345985	-0.49781832	-1.671214	-0.9139576	-2.4630513	1.8874409	2.9153144	-0.28524697	-1.3025831	-1.148833	-1.3215668	2.8768787	3.0188534	-0.87368584	-2.044762	-1.703055	-0.69607025	-1.646824	-1.0319973	-1.2470634	2.5241106	2.6137977	-0.83331823	-1.3817766	-1.2724752	-0.5165658	-0.9534787	-1.0399145	-2.2310994	2.7701776	2.8538222	-1.0412627	-0.76915824	-1.0582954	-2.058417	-1.6628	-1.668768	-2.2017248	2.2950954	2.6044927	-0.5528258	2.8987157	2.9810176	-0.71109587	-1.3133703	-0.9283773	-2.2895179	2.821085	3.077535	-1.9558886	-2.0188742	-2.1266205	-1.9443063	-1.908609	-1.999537	-2.189499	2.7217352	1.7265353	-2.0816274	2.8012576	3.1221266	-2.022352	-1.7219739	-1.3211335	-1.8711878	-1.7267035	-2.3397377	-2.142907	2.4604657	2.503047	-0.4657501	-0.9688718	-1.3593224	-2.9999564	-2.2163095	-1.3353615	-1.9639077	2.2485867	2.7012541	-1.9273735	1.0422331	-0.74978	-2.3115766	-1.7096056	-1.2985587	-1.7588454	-1.5617819	-0.65522397	-1.9034553	2.347763	2.358558	-2.3610249	3.0410058	2.8256664	-2.526506	2.7855403	3.847954	-1.6579286	3.1482484	3.1679482	-2.0411272	1.8650217	3.1590774	-2.031466	-1.9610555	-1.4426235	-2.0464616	-2.188651	-1.5646698	-1.9736731	3.0107436	3.0622838	-1.3223219	2.9346604	2.7582624	-2.0296597	2.9127915	3.0742044	-0.83203137	-1.17258	-1.7750162	-3.0701704	2.4182873	3.0662708	-1.6772941	-2.0666323	-1.991312	-1.3155904	3.3261793	3.496049	-1.9764198	-2.3118682	-2.2083979	-1.6772941	-2.0666323	-1.991312	-1.3155904	3.3261793	3.496049	-1.9764198	-2.3118682	-2.2083979
HPPA-sulfate	2.0650928	2.3131778	2.5675986	0.9730388	1.3550266	0.67839926	-1.3114604	0.77745634	0.2384849	-1.1456409	-0.41778448	1.5432761	-1.7007097	2.1307251	-0.5712616	-0.4425053	-0.28780356	1.0261762	0.8489628	1.3951173	1.6529183	0.5741204	0.064849466	0.82388467	-0.582239	2.223041	2.4648983	1.2295476	1.4557339	0.7959387	0.17159244	2.8797693	1.8610382	-1.2393532	1.5836776	0.7671982	-1.4221013	0.101492204	0.46300232	-0.95956904	-1.6138694	0.7969399	0.42664996	-1.7016382	1.8244175	0.66618055	0.7602566	2.583126	0.85817724	2.9496708	1.5743557	0.19238305	-0.6331776	1.7655456	1.3681674	1.0901005	3.365304	1.5471908	1.5303909	1.8272363	1.0635272	1.1369157	0.5175833	-0.25355408	2.0496747	2.4008873	0.0343615	0.4028164	1.503168	1.1296896	2.9146054	2.0024607	0.010421063	1.8686991	3.15824	0.52303946	0.23463842	3.2049787	1.0477486	0.6799729	3.7536461	0.44645867	0.044776767	-0.7631521	0.39752442	1.2173971	0.7973681	-1.0382868	-0.51322687	-0.32677966	-1.5216053	-0.17174439	2.357109	-2.125269	-1.1391796	-0.8231442	0.68028647	1.6547264	0.3790717	0.21968257	2.3779268	-0.009679323	-0.51115423	-0.17042832	0.41874385	-0.27907136	-0.019587863	-0.8436573	-2.5088181	-1.8194898	-0.21547422	-0.4932688	-1.1188751	0.8261504	-0.21990728	-0.27401438	0.25062317	-0.60953784	1.9950356	-0.045949902	0.7721251	-0.7581898	-0.63972574	-2.1458898	0.2852667	0.9539326	-0.71370983	0.18949336	0.026730333	-0.3462993	1.600636	0.88803166	-0.8719986	-1.0263642	-0.12994361	-0.29947436	-2.3191683	-0.28040546	-0.59387696	-0.60102135	-0.39622766	1.1104616	-0.28676242	-0.0232193	-0.42705238	0.8736849	0.10206653	-0.45442724	0.36877364	0.80868995	0.37395874	1.712953	1.8714586	0.68464416	-1.0895873	1.0246515	-2.4922101	-2.1394987	-0.6078631	0.64033616	0.87456703	-0.79832554	2.0451238	0.054521766	1.022624	-0.9973424	-0.44181314	-0.8699086	-2.0280838	0.00850297	1.336042	-2.978663	-1.0524932	-1.5429264	-1.321217	-0.3777022	-1.2276663	-1.7793908	0.26791885	-0.5821817	-0.22337389	-0.49007326	1.8527323	0.64632547	0.23956533	1.0361472	0.9279002	-0.54864496	1.8423827	0.6315035	-0.7992772	-0.7662562	-0.8109589	-0.5067418	1.072902	-1.4141386	-2.8689582	-1.0148866	-1.0983182	-0.41140887	-0.11420223	-1.7309208	-2.1271312	-1.8451539	-1.435497	-0.07299058	-0.102159895	-1.7863935	-2.8299596	-0.98489827	-0.46205196	-1.189003	-0.05403049	-0.85838264	0.56643516	-0.10056438	-0.8237211	1.0380924	2.0049977	-2.621125	-0.56440693	-0.75622016	-1.8688278	-1.0995641	-1.0687805	-2.2029934	-2.7216249	-0.732319	-2.2847805	-1.6888187	-0.9466182	-1.511125	-0.6035917	-0.47596216	-2.1032107	-1.5784707	0.20787461	-1.2436683	-1.6948769	-0.6166301	-2.1613007	-1.3105364	-1.611408	-0.62749094	0.38599205	-0.27845	-0.57991844	-0.2638026	-0.44883457	-3.1668377	-0.18781543	-0.28766575	-1.6015528	0.19460763	-0.015291308	-0.22666278	0.3670854	1.1394874	-2.5212	0.5566161	1.2897856	0.9857424	0.5370327	0.85344225	0.93318444	-0.057224095	0.6354891	-0.45218915	1.8295633	1.63293	0.45175967	1.5650543	1.4256947	0.7491614	1.197902	1.7777677	-0.1641641	-0.51039773	0.57521755	0.029671537	-0.7408844	0.74388486	-1.7854187	-1.6321844	-0.6850646	-1.6138353	-0.75209683	1.2344416	0.56964165	1.0462464	-0.20755975	-1.2654107	0.45380524	2.400242	-1.3301146	-0.6998029	-1.4699429	0.48801222	-1.6227735	0.04318125	0.9880513	1.7441949	0.94523257	0.7517369	0.16614142	2.1525974	-0.18617356	0.059983082	-0.46126515	0.9880513	1.7441949	0.94523257	0.7517369	0.16614142	2.1525974	-0.18617356	0.059983082	-0.46126515
HPLA	8.49E-04	2.7249959	3.2157269	-0.2391437	-0.5500997	0.61544985	-0.99675995	-0.6154733	0.20228502	-0.6606533	2.1912458	-0.14567252	-0.5621138	2.4792042	2.7070296	-1.5196958	-1.8046929	-0.5564986	-0.5038891	-0.86847395	-0.65921557	-0.74952555	1.9185292	2.0192645	-0.79313314	2.8389125	2.5878549	0.08380499	-0.19444226	0.9288221	-1.3754395	2.6562324	2.4424272	-0.95973086	-0.21356854	-0.7981851	-1.8482668	-0.59073794	0.009818235	-1.3803813	-1.9446833	-0.9070714	0.011446783	2.5282178	3.1990986	-0.5036585	2.2126272	3.262018	-0.28769714	3.49607	2.9065607	-0.3603594	-1.5831592	0.6528952	-0.6394597	3.2403388	2.970368	-0.603052	-0.039735176	-0.1376563	0.107215896	0.05883798	0.23977634	-0.8728137	2.434874	2.7504117	-0.31560186	-0.85414356	-0.42446262	-0.5032034	2.0398376	2.6805544	-1.163473	2.7085145	2.5641346	-0.7471929	2.0991695	2.236233	0.22776732	2.1241672	3.3108	-1.1310204	-0.79843104	-1.2384597	-0.5287469	-0.16102742	-0.7746671	-0.9888989	2.4106133	2.969474	-1.6896684	2.406242	2.4768593	-1.2553942	2.28092	2.1912448	-0.39044574	-0.055098232	-0.65303606	-0.8151839	2.7636564	2.3699954	-0.7103414	-1.2058061	-1.1242123	-1.644441	1.9539531	2.4701338	-0.7574959	-1.2997079	-1.5751598	-1.1974797	1.984369	2.5041182	-1.1190614	-1.2389251	-1.1250246	-1.7670592	2.259206	2.4144235	-1.2180661	-1.7944007	-1.3317927	-1.8562809	2.2697968	2.314291	-2.2212255	-0.688307	-1.323378	-1.7653801	2.2126975	2.662676	-1.2226671	-1.8406909	-1.3967581	-1.2797959	-2.6533988	-1.0032078	-1.5901774	1.9544287	2.440278	-1.3537337	-1.0186974	-1.055998	-0.793926	2.105353	2.7514546	-1.2841939	-0.3444586	-0.25658223	-0.36450016	2.4372416	2.7967212	-1.1107237	-1.4504517	-0.59935004	-1.7630986	-2.1962173	-1.9973363	-0.44816333	-2.8298714	-1.0860955	-0.16460083	2.065421	2.127853	-2.100988	-0.061961405	-1.2739246	-1.1534885	2.1659849	2.5505154	-1.9455972	1.7906635	2.011038	-1.2581095	-0.31615695	-0.11165155	-1.3336105	-1.135752	-1.1315887	-1.3508909	2.1069858	2.464483	-1.4480314	-2.070554	-1.4434295	-2.2109327	1.9800773	2.1201253	-0.82157356	-0.64087296	-1.2011358	-1.2303935	-0.76417947	-0.8821176	-1.7560211	1.806798	1.7799412	-1.46602	-0.5786136	-0.8467477	-0.81686956	-1.8378751	-1.2782296	-1.6491812	2.0951123	2.076922	-1.7928389	-1.876198	-1.6623555	-1.9162343	-1.5319293	-1.67211	-1.4404753	2.1809673	2.4743166	-1.7250624	2.0572731	1.9609805	-1.6244464	-1.5561239	-1.3048375	-1.2750388	2.1727788	2.227727	-1.8963141	-1.9799063	-1.6217684	-0.655886	-1.1716913	-1.5821164	-2.1715503	1.8616717	-0.25392514	-1.5866479	2.311988	2.575955	-1.7304353	-0.74557763	-0.023839474	-1.976039	-1.2629502	-1.5724685	-1.557685	1.745358	1.5977192	-0.6268201	-0.6753378	-0.9036633	-2.3970008	-2.1728013	0.8402529	-2.485703	2.1051674	2.5588818	-0.5293285	0.1047394	-0.83841515	-1.8388119	-1.121042	-0.5473406	0.18342915	0.45082858	1.2117448	-1.1729718	2.2594848	2.0489824	-1.3190506	2.1438456	2.0680904	-1.6166143	1.7864431	3.365782	-0.9410852	2.3720536	2.0786352	-0.80089426	0.4507	2.7977867	-0.7866118	-0.7323248	-0.002027524	-1.8839122	-2.0336807	-1.4288154	-1.6816655	2.2095976	2.5635092	-1.8744624	2.2336166	2.0021749	-0.8442069	2.1427312	2.4554627	-0.79128313	-0.40819448	-1.4359958	-1.1296735	1.7327051	2.124011	-2.0144992	-0.72713304	-1.5748868	0.017545681	2.3943992	2.9578488	-0.49101886	-2.345378	-1.1064922	-2.0144992	-0.72713304	-1.5748868	0.017545681	2.3943992	2.9578488	-0.49101886	-2.345378	-1.1064922
HPLA-glycine	-1.1361474	4.266197	3.5624728	-1.4866307	-1.5035274	-1.1733428	-1.6437458	-1.5871589	-1.4332597	-1.3337675	2.9068987	-1.4574996	-1.6207385	3.512604	3.3170714	-1.3617569	-1.8217987	-0.8844643	-1.2421255	-1.191203	-0.52849686	-1.5621138	2.6497247	2.540304	-1.4208071	4.1683874	3.587941	-1.304574	-0.9628569	-0.6752361	-1.1068487	4.5781913	2.559565	-1.3337675	-0.89817476	-1.1503357	-1.5822233	-1.4208071	-1.086589	-1.5090674	-1.9822234	-1.0657059	-0.97508514	3.7409039	3.6090496	-0.7958192	3.7861567	3.3966272	-1.0762278	4.662786	2.8730302	-1.0762278	-1.4574996	-0.12490018	-1.3886378	4.351811	3.829407	-1.6392063	-1.4270619	-0.9247919	-1.2338994	-1.2042964	-1.1733428	-1.304574	3.9482055	3.6364625	-1.4081218	-1.8912101	-1.2894922	-1.2421255	3.450709	3.3585553	-1.4923098	3.8674057	3.192119	-1.3951948	3.1960886	3.2375712	-1.191203	3.306922	3.3877246	-1.4751279	-1.6346363	-1.3685776	-1.2894922	-1.4144942	-0.97508514	-1.1167561	-1.155	-0.6364458	-1.2818239	2.6169088	3.6373372	-1.5361087	2.8495245	2.7613745	-0.82667214	-1.021907	-0.9628569	-1.0441597	3.4227939	2.642663	-1.304574	-1.086589	-0.85618323	-1.2502531	2.6192296	2.4571683	-1.3820167	-1.0657059	-1.126521	-1.3820167	2.189046	3.1897862	-1.5569918	-1.4515204	-1.1823317	-1.6113127	3.20653	2.482568	-1.5822233	-1.5722431	-1.1456391	-1.5200136	2.5643737	3.5177634	-1.2662221	-1.3617569	-1.1068487	-1.3265861	2.6788619	-0.7958192	-1.2338994	-1.2421255	-0.6364458	-1.4979419	-1.5671973	-1.191203	-1.5413901	2.9443867	2.7279437	-1.191203	-1.297075	-0.9628569	-1.4693027	3.0007489	3.2909133	-1.1167561	-0.97508514	-0.6364458	-1.2740678	2.5819013	3.0366518	-1.592059	-1.3548672	-1.1642333	-1.4751279	-1.6254028	-1.4751279	-1.1733428	-1.3337675	-0.85618323	-1.4016889	2.4727592	2.297943	-1.3265861	-1.3337675	-1.4270619	-1.3193277	-1.3753304	3.4422178	-1.6254028	3.487112	-1.6113127	-1.3753304	-1.6254028	-0.97508514	-1.5200136	-1.530786	-1.4394015	-1.3951948	3.356759	3.5870066	-1.5254211	-1.6113127	-1.4923098	-1.5035274	2.1827352	2.485887	-1.6017542	-1.4574996	-1.6790081	-1.3193277	-1.3479066	-1.1642333	-1.6482551	-1.5090674	2.3261886	-1.2582846	-1.3886378	-1.3753304	-1.6790081	-1.5871589	-1.2421255	-1.6065502	3.158867	2.8506904	-1.5200136	-1.6482551	-1.592059	-1.7933695	-1.2740678	-1.4809037	-1.3479066	3.7499013	4.001948	-1.7043023	3.5550022	2.6440685	-1.551831	-1.4866307	-1.2818239	-1.5254211	2.7634876	2.487972	-1.7823938	-1.592059	-1.7897307	-1.3617569	-1.1823317	-1.3408738	-1.5772516	2.8372393	-1.7001516	-1.3479066	2.877005	3.8297002	-1.304574	-1.4394015	-1.2582846	-1.6659985	-1.616042	-1.7246836	-1.5254211	3.2051384	2.2261496	-1.0331246	-1.155	-1.2338994	-1.6790081	-1.6746992	-0.7467389	-1.4016889	3.8670924	3.719171	-1.2502531	-1.304574	-1.3408738	-1.311991	-1.3548672	-1.304574	-1.4515204	-1.2662221	-0.3711852	-1.4515204	3.594951	3.3495963	-1.6346363	3.2087584	3.2413795	-1.2818239	-1.5145626	4.7394924	-1.530786	3.5237362	3.656291	-1.1823317	-1.5822233	3.7173595	-1.5871589	-1.5822233	-1.311991	-1.4693027	-1.3685776	-0.8415881	-1.5035274	3.3010101	3.7181907	-1.4515204	2.8617458	-1.4332597	-1.3685776	3.5710967	3.467632	-1.4979419	-1.4809037	-1.4574996	-1.6392063	2.5354383	3.0453656	-0.89817476	-1.0331246	-1.3886378	-1.0331246	2.534215	4.1912484	-1.3886378	-1.3337675	-1.5671973	-0.89817476	-1.0331246	-1.3886378	-1.0331246	2.534215	4.1912484	-1.3886378	-1.3337675	-1.5671973
HPLA sulfate	-0.31655407	2.6785839	2.7976468	-0.44714978	-0.52789724	0.012428501	-0.9951886	-0.52109617	-0.41255808	-0.21906795	1.7402418	-0.17108412	-1.6179156	2.6331055	2.5229893	-0.61232907	-1.1861345	0.36288747	-0.64752835	-0.41226426	0.020373218	-0.8881431	0.7065636	2.0454102	-1.2462577	3.0391223	2.5676546	-0.35007718	0.72629225	0.76049745	-0.9899945	2.6861792	2.5409045	-1.125403	-0.3074375	-0.18266922	-1.6217942	-0.49063694	-0.21587563	-0.94192624	-1.4368775	-0.19044034	-0.45306113	1.9044257	3.369522	-0.6121249	1.6661922	2.7126842	0.2807694	4.1431246	2.3108666	-0.18195605	-0.68849826	1.040295	-0.18353139	3.8598902	2.0569887	-0.63922703	-0.37819627	0.49301812	-0.38048303	-0.4160935	-0.13416517	-0.21961515	2.489669	2.5281482	-1.2039465	-0.86966544	-0.044221442	-0.5595289	1.7750423	1.7467349	-0.851067	2.1446187	1.8825722	0.26258558	1.6082684	1.6797309	-0.26166242	2.352353	3.3328295	-1.2318151	-0.65295464	-1.3865154	-0.24066342	-0.13387251	-0.36151156	-0.6629873	0.9582837	1.4296935	-1.4560812	0.9759831	2.5218492	-1.3899475	1.8465635	1.3254333	-0.33536953	-0.17393039	-0.19018756	-0.23213632	2.8379767	2.3442125	-1.4328225	-1.1714315	-0.8087663	-0.93253523	1.5465757	1.7414387	-1.420879	-0.46702918	-0.36870438	-1.1039642	0.27943864	2.8058777	-0.80715466	-0.63750684	-0.58195776	-0.75437737	2.306489	1.5715364	-0.71068084	-1.2294339	-0.7883462	-1.982921	2.2222173	2.5198984	-0.5590685	-0.69385886	-0.45765164	-1.1208553	1.6672226	1.7066758	-1.4572366	-1.213192	-0.2716781	-0.06842039	-1.668988	-0.4240963	-0.3661355	2.4278803	2.620632	-0.0579332	-0.7738872	-0.3198197	-0.8168131	2.2415001	2.4017575	-1.0515517	-0.7896183	-0.60636437	-0.37603444	2.843267	3.3041062	-1.0861452	-1.6889764	-0.450043	-1.6936187	-1.9296821	-1.4733765	-0.6822638	-1.3490199	-0.8865244	-0.4109323	1.5433183	2.281605	-1.2170342	-1.0909492	-1.4340072	-1.8398685	0.47657856	2.2057695	-2.0211444	1.7151073	1.2894123	-1.5491997	-1.3501542	-1.0412117	-1.8328998	-1.234042	-0.62630415	-1.4839991	1.0007133	2.9915292	-0.63081723	-1.1966012	-0.535127	-1.2974297	1.2188781	2.4776752	-0.8759926	-1.2275548	-1.1568741	-1.0626618	-0.8321694	-0.5529413	-1.5608598	0.2440534	2.2567291	-0.3873304	-0.22851996	-1.0000794	-1.1606569	-1.7944319	-1.0023134	-1.2926891	2.1473143	1.3121808	-1.742901	-1.2828593	-1.1276987	-1.8154767	-1.4094733	-0.9228263	-1.096257	1.9253995	1.0747402	-1.7200521	2.0381668	1.5144536	-1.6573354	-1.3887963	-0.6408276	-1.2436748	1.261309	1.7521418	-1.7357175	-1.623478	-1.3942618	-1.6402748	-1.6512041	-1.4881527	-1.4909714	1.0372746	-0.114691645	-1.7438716	1.3819512	3.0264447	-1.7221037	-1.3713233	-0.7177288	-2.1093972	-2.0366864	-2.2594821	-0.7435453	1.372355	0.89755815	-0.7152743	-1.0638735	-1.0858936	-2.1172462	-1.0834948	-0.38368884	-1.7456058	1.8065097	1.5616546	-0.9152546	-0.47450647	-0.4613818	-1.598743	-1.0747255	-0.56299096	-0.41388357	-0.00205392	-0.3095325	-1.1083031	1.4250513	1.6911612	-1.5905291	2.3929448	1.7911434	-0.49047858	1.7178674	3.9706752	-0.9041387	2.592913	2.8307874	-1.1529217	0.018482344	1.5565655	-1.0908612	-1.2585261	-0.07508771	-1.8277262	-1.7676682	-0.8876024	-1.6380197	1.933804	3.041757	-0.869981	2.3850517	1.2101445	-1.3703579	1.7598273	2.150262	-1.3524281	-0.6590255	-1.4048617	-0.8728871	0.32047772	1.9810454	-0.81365424	-1.1100262	-0.8664655	-0.54350805	1.8136233	2.9800467	-1.0783143	-1.4363567	-0.38527885	-0.81365424	-1.1100262	-0.8664655	-0.54350805	1.8136233	2.9800467	-1.0783143	-1.4363567	-0.38527885
HGA	1.3078661	-0.94549596	-1.8597862	1.0242822	0.87691426	1.5677495	1.1371841	0.8338247	1.3010653	1.6500258	0.003083633	1.2124139	1.2008011	-1.8220799	-1.4805485	1.0243826	0.51312584	1.3938564	1.0562999	1.0285914	2.146043	0.91962236	-2.895246	-2.8944094	1.3167866	-2.032027	-1.972922	1.0391693	1.502421	1.8482808	1.2919269	-3.0282974	-3.0025854	1.4539853	1.8079898	1.4577245	1.0527567	1.2845771	1.7310897	0.8190268	0.49072832	1.4813846	1.7409489	-2.893869	-2.4904208	1.7705666	-3.8975122	-3.1244066	1.7230835	-1.9042158	-2.9520173	1.2130684	0.8485683	2.2847836	1.2661858	-0.27486396	-2.1867948	1.0694677	1.3543745	1.8509449	1.3306038	1.228864	1.4579713	1.3628947	-2.6639028	-2.1724718	1.179814	0.5802802	1.1683025	1.2058171	-3.2634106	-2.8779097	0.8726592	-1.8408227	-2.509117	1.3704762	-3.5791743	-3.1905732	1.0728585	-5.0793805	-3.8873253	1.1542916	0.9737706	1.2880121	1.4503877	1.2271154	1.5380856	1.263607	-3.6405473	-2.3378963	0.98952204	-3.2133136	-2.7626343	1.3400716	-1.7747042	-2.2506166	1.7481049	1.5734268	1.5737522	1.5650523	-1.6653466	-2.0700927	1.0811667	1.3124312	1.6115568	1.2397822	-2.9643466	-2.2107072	1.1586883	1.4469758	1.2770187	1.4373997	-0.83593667	-0.25896698	1.06212	1.0936027	1.3508773	0.98145264	-3.0535855	-2.5349653	0.9867717	0.99652445	1.3933104	1.0162559	-2.0490563	-1.8423635	0.9539097	0.8580631	1.3583896	1.1106199	-2.153122	-2.5163054	1.1787951	1.2310162	1.6081058	1.2583714	0.8897326	1.5344348	1.160986	-1.6757579	-1.8495315	1.4123924	1.2487309	1.6119683	1.252717	-0.3794786	-2.0247254	1.6235008	1.6207173	1.918814	1.5965421	-2.1458433	-1.8168914	0.7673278	0.9672069	1.4607769	1.2563406	0.992165	1.0761027	1.5411481	0.9829804	1.3605458	1.102415	-3.7655244	-3.612811	0.96711856	1.0186579	0.84596246	0.9497861	-3.712142	-2.2318559	0.68481755	-2.5215642	-2.5436034	1.0924172	0.8485442	1.6655163	0.9329406	0.96842444	1.1086615	1.0477487	-2.1913269	-2.1148193	0.9083689	0.64952236	0.6969694	0.7848007	-2.5424547	-2.0513098	0.9180193	1.1626071	0.91862863	1.1265972	1.0867448	1.3853735	0.6629581	-2.130619	-1.8142253	1.0976791	0.9323745	0.93115985	1.0373485	1.0282813	1.2445401	1.0052605	-2.1329708	0.013461785	0.80559015	0.7818677	0.9455492	0.47883645	1.2529157	0.9055292	1.1961155	-2.687765	-2.491146	0.9757762	-2.0690205	-2.1427808	0.9452731	0.9607595	1.3243673	0.96232045	-2.1545944	-2.202722	0.77380425	0.89730716	0.6808676	0.98037755	1.1604398	1.1271071	0.8352501	-1.7495614	0.18371408	1.3418281	-2.8071709	-2.109734	1.096328	1.1721189	1.5440792	0.9008967	0.83530325	0.6094642	0.83468795	-2.6761584	-2.2777941	1.3854738	1.3965807	1.1894593	0.8324645	0.710911	1.907952	1.0190344	-2.9653766	-1.0294226	1.2844577	1.3205098	1.0691314	1.0568551	1.0116345	1.3143646	1.0900272	1.3563138	2.278503	0.8236503	-3.0041704	-0.58261395	0.8986031	-3.1166027	-2.0157135	1.1163244	-3.7494547	-0.88756543	1.0513172	-1.6897367	-1.388153	1.0779316	-0.15703744	0.8092289	0.86522514	0.93406785	1.4362996	1.0720153	1.1539423	1.8531291	0.9213569	-2.1902368	-0.4563185	1.2340345	-3.205362	-3.3338368	0.9917655	-2.9738462	-2.3771615	0.93431175	0.9426472	0.9918328	0.7086645	-3.401143	-1.9805508	1.6597636	1.3524492	1.1386999	1.4560772	-3.0812473	-2.5769157	1.1752136	0.95222336	0.878707	1.6597636	1.3524492	1.1386999	1.4560772	-3.0812473	-2.5769157	1.1752136	0.95222336	0.878707
Acetyl-HGA	1.8618062	0.028706884	0.32109535	1.5863447	1.5852056	2.3059433	1.2655277	1.4782757	1.1438272	2.0572956	-0.76365864	1.6833174	1.1170474	-0.99803025	-1.4652134	1.3966078	0.5729653	2.0257814	1.2528108	1.0462946	2.81215	1.4959145	-1.6973094	-0.8734992	1.3900688	-0.17659932	-0.18284808	1.3248044	1.9179714	2.2568817	1.5354242	-0.4006995	-0.64087784	2.048134	1.657718	1.9207885	0.70953923	1.4338491	2.1971836	0.025663028	-0.44882	1.8363134	1.6342108	-2.7623277	-0.15377338	1.395658	-1.8895732	-0.28029388	1.7280654	1.1960751	-0.3519733	1.3240628	0.07354494	2.4395483	2.2368221	0.29674384	0.7737167	1.6883309	1.2549839	2.8108418	1.6022738	1.28125	1.4626063	1.8895156	-0.6534191	0.012197294	1.231553	0.52494824	1.7840847	2.0291977	-1.1118584	-0.1489508	1.2076886	-0.08988289	-0.05379865	1.3584604	-1.1225513	0.51371187	0.8488773	-1.4896472	1.3650373	0.63429576	0.12969956	0.6554821	-0.8698742	2.0845668	1.4648695	-0.14226532	-1.9932446	-0.7388823	0.15712938	-1.7529749	0.08461496	1.6401229	-0.99543905	-0.92132217	1.8840495	1.8080393	1.5920912	1.1538182	0.17101859	-1.0379834	0.11493092	1.4005761	1.6061374	0.82361925	-1.6153512	-1.4205511	1.0193902	1.6294532	1.4734676	1.383533	-1.3237016	-0.05702873	1.7220889	0.87629193	1.2826742	0.80090463	-0.9149137	-1.4583219	1.280578	0.32622078	0.5633175	0.45801717	-2.1259537	-1.5081912	0.9763058	0.360183	0.8750924	0.88568527	-0.96456707	-0.6505111	0.9618976	1.2135543	0.9216012	1.760321	-0.13694437	1.634621	1.6412641	-1.3050786	-1.0176858	1.3597236	1.1238755	1.4872296	1.013331	-0.20832951	-0.8869272	1.4922749	1.550967	1.999333	2.051683	-0.78527576	-0.5518114	0.793066	0.25227425	1.4669789	1.2676988	0.53028375	0.54786694	1.5607268	0.99108964	0.22186218	1.2298696	-1.5874349	-1.6296738	-0.50838757	-1.1299943	0.084322035	-5.573584	-1.9275217	-0.7819814	-0.8189471	-3.8981206	-2.8350308	-0.7279899	-0.40833995	0.45325622	-0.9728623	-1.814027	0.41334215	0.42488402	-2.6970649	-1.5675455	1.2835603	-0.92428386	0.21900389	0.14012276	-1.8123264	-1.3468351	1.1240524	-0.7447984	0.2325306	-0.24362844	-0.94473195	0.13665476	-0.057804108	-3.8884463	-2.2845628	-0.450722	-0.8567895	0.5479809	0.28827298	0.023415094	0.91632795	0.41734362	-1.7195289	-0.12635946	-0.42683372	0.6870838	1.0606325	-2.2315335	-1.1309831	-0.003129347	0.18001032	-1.6656282	-1.2172104	-0.39854503	-1.692779	-1.9131103	-0.6501983	0.22873323	0.17442296	-0.21395864	-2.1232624	-2.096961	-0.46272245	0.123010755	-0.54588675	-0.010950062	0.20180574	-0.5047718	0.66646135	-1.170801	-1.0016918	-0.06786414	-2.387352	-2.0766356	-3.7772572	-0.022893535	0.16044031	0.63124394	0.5329154	-1.7811741	0.99742323	-1.5096486	-2.0007446	-0.036505066	-0.06408268	-0.82272786	-0.4803136	1.128987	0.646892	-0.7748009	-2.0768907	-2.5523174	0.6541958	0.72388506	0.84450936	-0.23546113	1.191102	0.5556452	0.6578434	1.0145538	-1.4236048	0.22893271	-2.4689	-1.3070025	0.17332749	-1.1187181	-1.4789456	0.33166897	-1.3625919	-0.22166868	1.0056986	-1.1460824	-0.4293295	-0.81805706	-1.1690296	-0.2532259	0.04795747	0.09973881	0.53702885	-0.026882425	-0.10232407	0.14646098	-0.2548966	-1.5007529	-1.1106907	1.0415045	-1.4474128	-1.7808175	0.2056263	-1.2893047	-1.0208861	-0.45134428	-0.21014933	-0.8282715	-0.08930103	-2.1649995	-1.0777166	-0.32488278	-0.39639184	1.1944727	1.3572814	-0.9081838	-0.034933105	0.7014123	-0.5833064	0.32349902	-0.32488278	-0.39639184	1.1944727	1.3572814	-0.9081838	-0.034933105	0.7014123	-0.5833064	0.32349902
HGA sulfate	1.7476889	-1.7791508	-2.6073241	1.3524642	1.43888	2.0075912	1.8062285	1.6743753	1.5800322	2.1538625	-1.151598	1.7059642	1.8567506	-1.621446	-3.2683258	1.8804629	1.6558018	2.2527163	1.5794864	1.5613222	2.5272307	1.6120025	-3.6745296	-2.1569312	1.6252583	-1.9021457	-1.9711256	1.7748854	1.4791507	2.4231272	1.6997944	-2.2090693	-3.2701707	1.5446454	2.3751523	2.030324	1.1471816	1.4946103	2.0141678	0.26093256	0.5028394	1.9593147	2.3962088	-3.3732955	-2.678259	1.7216643	-6.012784	-3.2454557	2.4031649	-1.6294383	-3.552876	1.7299087	1.4088912	2.735123	2.1010234	-0.44938013	-1.8613969	1.602981	1.666523	2.3975904	2.0296435	1.568224	1.828833	1.8058364	-2.6170695	-2.5605795	1.0127838	1.1536902	1.8734185	1.873948	-2.9211912	-2.43705	1.4788733	-2.738502	-2.5898242	1.948307	-3.0523956	-2.47776	1.8237132	-6.3349886	-5.1247606	1.4865476	1.156692	1.6189909	1.9689841	1.6401595	1.6833751	0.9233111	-4.739272	-3.6628025	0.3816115	-4.6804085	-2.4341464	1.3167069	-2.8721218	-3.4466014	1.9744337	1.9093717	1.8847189	0.9095506	-2.736851	-2.797231	1.1010118	1.202529	1.021152	1.5665722	-3.0690963	-2.8355112	0.47104803	1.5382931	1.6975563	1.8310938	-1.8577206	-0.5763332	1.6275868	1.3976487	1.4596664	1.8706905	-2.3380942	-3.115685	1.6566638	1.0846791	1.1216418	0.696156	-2.4132843	-2.0067947	1.3443282	0.5336544	0.7078658	0.5386712	-2.7068563	-4.2930856	0.41032112	0.3319632	0.108588316	1.8611773	0.54044855	2.1343565	1.7760583	-3.0047314	-2.531469	1.9882072	1.620068	2.0467055	2.0011296	-0.35419267	-3.1294324	1.5333974	1.7907896	1.9089552	2.1740878	-2.252466	-1.7712823	1.3345412	0.8409841	1.8193642	1.3457739	0.812574	1.3324593	1.6867591	1.4350839	0.6334931	1.8518486	-3.6563427	-3.1516645	-0.12033512	0.2289781	0.17273578	-0.2108022	-4.9879045	-3.0234795	0.62425566	-2.907037	-3.5272462	0.7862201	1.1655202	1.3050722	0.7085444	1.4171926	1.1942402	1.5264152	-2.677465	-2.0194306	1.9669808	1.4060495	1.4334276	1.4808259	-3.284794	-2.0188253	1.4975046	1.6369708	1.2855679	0.6954381	0.7493003	2.0525012	1.0689371	-2.9660728	-2.0599923	0.7819293	0.77327645	1.635946	1.2620472	1.3404652	1.190014	1.2997165	-2.4860036	-0.41896316	1.069557	1.204112	1.4075468	1.272923	1.0560164	1.7137315	1.14221	-3.1495981	-3.4513752	1.0264796	-2.1703472	-2.5014226	0.9138025	1.283093	1.3316199	0.64764893	-2.9030592	-2.9098535	0.48858464	1.0699179	0.8880097	1.0721918	1.3804722	0.62847006	0.4301886	-6.421389	-0.5552269	1.248738	-3.8219273	-2.6585448	1.2547218	1.0327299	2.081843	1.0890859	0.010009629	-0.37164614	1.5027627	-2.781563	-3.1306794	0.96401966	0.9834782	0.9444698	0.84967625	1.525875	1.9659598	0.6612454	-3.8752117	-1.8386253	1.2805295	1.3856398	1.7532216	0.37237084	1.4235269	1.8576171	1.5203377	1.5422726	1.8177006	1.4352456	-3.206965	-0.61807865	1.1810079	-2.57278	-2.318567	1.3945448	-2.599414	-0.5367668	1.7069229	-2.0797772	-1.8525336	0.75803226	-0.71839494	-0.11306475	1.3925759	1.3471256	2.2797365	0.7080465	0.8906243	1.6968026	0.72693485	-2.621368	-0.3143769	1.9743849	-2.5305014	-3.2245083	0.9317733	-4.1170073	-2.7023196	0.2884002	0.24893998	0.59481096	1.3657994	-3.8032327	-1.9949495	2.0503533	1.2742974	1.6544428	1.7920158	-3.8215492	-2.378256	1.1402501	0.97675496	0.48791417	2.0503533	1.2742974	1.6544428	1.7920158	-3.8215492	-2.378256	1.1402501	0.97675496	0.48791417
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	retention time	neutral mass	formula	CAS-ID	KEGG-ID
Phenylalanine N-acetylcysteine	4.729989	326.0966	C14 H18 N2 O5 S
O-Methyl-phenylalanine	4.9100037	179.0942	C10 H13 N O2
Phenyllactic acid	6.7199783	166.063	C9 H10 O3	6482-98-0
Tyrosine	2.17	181.0739	C9 H11 N O3	60-18-4	C00082
N-Acetyl-tyrosine	4.890012	223.0845	C11 H13 N O4	537-55-3
Tyrosine-sulfate	1.9800003	261.0306	C9 H11 N O6 S
HPPA	3.680001	180.0425	C9 H8 O4		C01179
HPPA-sulfate	5.2900095	259.9991	C9 H8 O7 S
HPLA	4.7399926	182.058	C9 H10 O4	6482-98-0
HPLA-glycine	4.6700096	239.0774	C11 H13 N O5
HPLA sulfate	3.8299978	262.0146	C9 H10 O7 S
HGA	3.5200083	168.0425	C8 H8 O4	451-13-8	C00544
Acetyl-HGA	6.3800044	210.0525	C10 H10 O5
HGA sulfate	2.7600062	247.9991	C8 H8 O7 S
METABOLITES_END
#END