#METABOLOMICS WORKBENCH wpathmasiri_20140314_9645891_mwtab.txt DATATRACK_ID:59 TEXT OUTPUT STUDY_ID:ST000027 ANALYSIS_ID:AN000047 PROJECT_ID:PR000025
VERSION             	1
CREATED_ON          	10-02-2015
#PROJECT
PR:PROJECT_TITLE                 	Metabolomics Involved in Early Life Antibiotic Exposures
PR:PROJECT_TYPE                  	Obesity modeling of antibiotic exposure
PR:PROJECT_SUMMARY               	The project Metabolomics Involved in Early Life Antibiotic Exposures profiled a
PR:PROJECT_SUMMARY               	total of 90 samples from five sub-studies (DuraSTAT, TranSTAT, NOD, EstroSTAT
PR:PROJECT_SUMMARY               	and VG STAT) which included a total of four sample matrices (urine, serum, liver
PR:PROJECT_SUMMARY               	tissue and cecal contents). Within each sub-study, there were three sample
PR:PROJECT_SUMMARY               	matrices except for VG STAT, for which there was only two. For each matrix type
PR:PROJECT_SUMMARY               	within each sub-study 6 samples were analyzed for a total of 18 samples per
PR:PROJECT_SUMMARY               	sub-study (9 of each in VG STAT), the samples were equally divided into
PR:PROJECT_SUMMARY               	STAT/PAT-treated (sub-therapeutic antibiotic treatment (STAT) and therapeutic
PR:PROJECT_SUMMARY               	dose-pulsed antibiotic treatment (PAT)) collected at various time-points versus
PR:PROJECT_SUMMARY               	untreated Controls for each matrix.
PR:INSTITUTE                     	New York University
PR:DEPARTMENT                    	School of Medicine
PR:LABORATORY                    	Blaser Laboratory
PR:LAST_NAME                     	Blaser
PR:FIRST_NAME                    	Martin J.
PR:ADDRESS                       	550 First Avenue, BCD 690, New York, NY 10016
PR:EMAIL                         	Martin.Blaser@nyumc.org
PR:PUBLICATIONS                  	Cho I, Blaser MJ. The human microbiome: at the interface of health and disease.
PR:PUBLICATIONS                  	Nature Reviews. Genetics 2012; 13; 260-270
PR:PHONE                         	-
#STUDY
ST:STUDY_TITLE                   	Metabolomics Involved in Early Life Antibiotic Exposures(DuraSTAT-Liver)
ST:STUDY_TYPE                    	Metabolomics
ST:STUDY_SUMMARY                 	In the DuraSTAT sub-study, a total of 18 samples from 8 week old, female C57BL/6
ST:STUDY_SUMMARY                 	mice; comprised of 6 urine samples, 6 cecal content samples and 6 liver tissue
ST:STUDY_SUMMARY                 	samples were analyzed. Three mice/matrix were given STAT penicillin and 3
ST:STUDY_SUMMARY                 	mice/matrix were non-treated Controls. The mice were housed with conventional
ST:STUDY_SUMMARY                 	bedding and fed a high fat diet.
ST:INSTITUTE                     	RTI International
ST:DEPARTMENT                    	Systems and Translational Sciences (STS)
ST:LABORATORY                    	NIH Eastern Regional Comprehensive Metabolomics Resource Core (RTI RCMRC)
ST:LAST_NAME                     	Sumner
ST:FIRST_NAME                    	Susan
ST:EMAIL                         	ssumner@rti.org
ST:NUM_GROUPS                    	2
ST:TOTAL_SUBJECTS                	6
ST:STUDY_COMMENTS                	DuraSTAT_Liver
ST:PHONE                         	-
ST:ADDRESS                       	-
#SUBJECT
SU:SUBJECT_TYPE                  	Animal
SU:SUBJECT_SPECIES               	Mus musculus
SU:TAXONOMY_ID                   	10090
SU:GENOTYPE_STRAIN               	C57BL/6
SU:AGE_OR_AGE_RANGE              	8 weeks at collection
SU:GENDER                        	Female
SU:ANIMAL_ANIMAL_SUPPLIER        	Jackson Labs
SU:ANIMAL_HOUSING                	Conventional
SU:ANIMAL_FEED                   	High Fat Diet
SU:SPECIES_GROUP                 	Mammal
#SUBJECT_SAMPLE_FACTORS:         	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data
SUBJECT_SAMPLE_FACTORS           	-	LDC029	Treatment Group:Control	
SUBJECT_SAMPLE_FACTORS           	-	LDC030	Treatment Group:Control	
SUBJECT_SAMPLE_FACTORS           	-	LDC032	Treatment Group:Control	
SUBJECT_SAMPLE_FACTORS           	-	LPL101	Treatment Group:Pool QC	
SUBJECT_SAMPLE_FACTORS           	-	LPL102	Treatment Group:Pool QC	
SUBJECT_SAMPLE_FACTORS           	-	LPL103	Treatment Group:Pool QC	
SUBJECT_SAMPLE_FACTORS           	-	LPL201	Treatment Group:Pool QC	
SUBJECT_SAMPLE_FACTORS           	-	LPL202	Treatment Group:Pool QC	
SUBJECT_SAMPLE_FACTORS           	-	LPL203	Treatment Group:Pool QC	
SUBJECT_SAMPLE_FACTORS           	-	LDS039	Treatment Group:STAT	
SUBJECT_SAMPLE_FACTORS           	-	LDS052	Treatment Group:STAT	
SUBJECT_SAMPLE_FACTORS           	-	LDS054	Treatment Group:STAT	
#COLLECTION
CO:SAMPLE_TYPE                   	liver
CO:COLLECTION_TIME               	8 weeks
CO:COLLECTION_SUMMARY            	-
#TREATMENT
TR:TREATMENT_SUMMARY             	Three mice were given STAT penicillin and 3 mice were non-treated controls. STAT
TR:TREATMENT_SUMMARY             	= sub-therapeutic antibiotic treatment.
TR:TREATMENT_COMPOUND            	STAT penicillin
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	Frozen liver samples were weighed (50-100 mg) into labeled homogenizer bead
SP:SAMPLEPREP_SUMMARY            	tubes.  Cold acetonitrile:water (50%) was added to tissue based on weight to
SP:SAMPLEPREP_SUMMARY            	make 1 mg/mL homogenates.  The samples were extracted and homogenized on a Spex
SP:SAMPLEPREP_SUMMARY            	Geno/Grinder for two 45 second pulses at 1750 rpm.  Samples were centrifuged at
SP:SAMPLEPREP_SUMMARY            	12000 rcf for 5 min.  Liver supernatants were transferred into BSI-labeled
SP:SAMPLEPREP_SUMMARY            	tubes. A 500 μL aliquot/sample was transferred into a second set of BSI-labeled
SP:SAMPLEPREP_SUMMARY            	tubes for further processing. To make pooled samples, a 300 μL aliquot of
SP:SAMPLEPREP_SUMMARY            	selected TranSTAT liver supernatants was combined in a 2 mL tube and used for QC
SP:SAMPLEPREP_SUMMARY            	samples in DuraSTAT, TranSTAT, EstroSTAT and NOD sub-studies. Additionally, a
SP:SAMPLEPREP_SUMMARY            	200 μL aliquot of selected VG STAT liver supernatants was combined in a
SP:SAMPLEPREP_SUMMARY            	separate 2 mL tube and used as QC samples in the VG STAT sub-study. Three 500
SP:SAMPLEPREP_SUMMARY            	μL aliquots were transferred into BSI-labeled tubes for each set of Pooled QC
SP:SAMPLEPREP_SUMMARY            	samples. All samples were then dried on an Eppendorf rotaVap (V-AL setting) at
SP:SAMPLEPREP_SUMMARY            	30°C until dry and stored at -80 °C. On the second day of processing, 630 μL
SP:SAMPLEPREP_SUMMARY            	of D2O was added into each dried liver extract tube. Chenomx Internal Standard
SP:SAMPLEPREP_SUMMARY            	solution (Chenomx ISTD, Edmonton, Alberta, Canada) contains 5mM
SP:SAMPLEPREP_SUMMARY            	4,4-dimethyl-4-silapentane-1-sulfonic acid (DSS, Chemical Shift Indicator), 100
SP:SAMPLEPREP_SUMMARY            	mM Imidazole (pH indicator), and 0.2% NaN3 (to inhibit bacterial growth) was
SP:SAMPLEPREP_SUMMARY            	added (70 µl), and the samples were vortexed on a multi-tube vortexer for 10
SP:SAMPLEPREP_SUMMARY            	minutes at speed 5. Tubes were then centrifuged at 12000 rcf for 5 minutes and a
SP:SAMPLEPREP_SUMMARY            	600 μL aliquot of the supernatant was transferred into 5mm NMR tubes (Wilmad
SP:SAMPLEPREP_SUMMARY            	LabGlass, New Jersey, USA) which were kept on ice until data acquisition.
SP:SAMPLEPREP_PROTOCOL_FILENAME  	DuraSTAT_Liver_Metabolomics_Procedure.docx
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_TYPE           	-
CH:INSTRUMENT_NAME               	-
CH:COLUMN_NAME                   	-
#ANALYSIS
AN:LABORATORY_NAME               	RTI/ DHHMRI
AN:ANALYSIS_TYPE                 	NMR
AN:ACQUISITION_DATE              	41527
AN:SOFTWARE_VERSION              	Top Spin 3.2
AN:OPERATOR_NAME                 	Wimal Pathmasiri/ Kevin Knagge/ Jason Winnikie
AN:DETECTOR_TYPE                 	NMR
AN:DATA_FORMAT                   	NMR
#NMR
NM:INSTRUMENT_TYPE               	Bruker Avance III
NM:NMR_EXPERIMENT_TYPE           	1D 1H
NM:FIELD_FREQUENCY_LOCK          	Deuterium
NM:STANDARD_CONCENTRATION        	0.5mM
NM:SPECTROMETER_FREQUENCY        	700 MHz
NM:NMR_PROBE                     	cyrogenically cooled ATMA inverse probe
NM:NMR_SOLVENT                   	D2O
NM:NMR_TUBE_SIZE                 	5mm x 4inch
NM:SHIMMING_METHOD               	topshim
NM:PULSE_SEQUENCE                	noesypr1d
NM:WATER_SUPPRESSION             	presat
NM:PULSE_WIDTH                   	14.84 us
NM:POWER_LEVEL                   	25.704w
NM:RECEIVER_GAIN                 	10
NM:OFFSET_FREQUENCY              	3293 Hz
NM:CHEMICAL_SHIFT_REF_CPD        	DSS
NM:TEMPERATURE                   	298.1 K
NM:NUMBER_OF_SCANS               	64
NM:DUMMY_SCANS                   	4
NM:ACQUISITION_TIME              	2.3243434
NM:RELAXATION_DELAY              	2 s
NM:SPECTRAL_WIDTH                	20.1358
NM:NUM_DATA_POINTS_ACQUIRED      	65536
NM:REAL_DATA_POINTS              	65536
NM:LINE_BROADENING               	0.5
NM:ZERO_FILLING                  	yes
NM:APODIZATION                   	lorentzian
NM:BASELINE_CORRECTION_METHOD    	polynomial
NM:CHEMICAL_SHIFT_REF_STD        	DSS
NM:INSTRUMENT_NAME               	Bruker Avance III
#NMR_BINNED_DATA
NMR_BINNED_DATA:UNITS           	Peak area
NMR_BINNED_DATA_START
Bin range(ppm)	LDC029	LDC030	LDC032	LPL101	LPL102	LPL103	LPL201	LPL202	LPL203	LDS039	LDS052	LDS054
0.50...0.53	0.00333	0.752	0.0158	0.0362	0.602	0.0197	0	0.00994	0.0029	0.0187	0.0234	0.00371
0.53...0.56	0.00991	0.948	0.0013	0	0.806	0	0.000712	0.00499	0.00401	0	0.000873	0.00201
0.56...0.58	0	0.736	0.0338	0	0.655	0	0	0	0	0.0106	0	0
0.58...0.60	0	0.85	0.221	0.0394	0.723	0.0192	0.0244	0	0	0.0309	0.0463	0.0452
0.60...0.65	11.3	10.3	9.89	4.46	6.22	4.63	8.89	9.75	8.66	10.5	8.17	6.46
0.65...0.67	0.126	0.93	0.738	0.338	1.01	0.311	0	0	0.0337	0	0.307	0.323
0.67...0.69	0.0796	1.14	1.66	0.537	1.18	0.463	0.308	0.332	0.348	0	1.74	2.49
0.69...0.74	0.259	3.27	2.79	2.21	3.66	1.9	0.342	0.414	0.485	0.0495	1.87	2.11
0.74...0.76	0	1.53	1.08	0.972	1.56	0.793	0	0	0	0.02	0.734	0.455
0.76...0.78	0.0208	1.85	1.45	1.29	1.87	1.07	0	0	0	0.348	1.03	0.664
0.78...0.80	0.0284	2.22	1.79	1.78	2.37	1.5	0	0	0.0256	0.785	1.29	0.889
0.80...0.82	0.318	2.27	1.82	1.8	2.32	1.49	0.172	0.153	0.186	1.07	1.35	1.01
0.82...0.84	1.54	2.82	2.52	2.26	2.76	1.93	0.863	0.862	0.869	2.12	1.93	1.65
0.84...0.90	13.2	12.3	12.4	9.7	11	9	9	7.16	9.18	14.4	10.4	23.8
0.90...0.96	17	16.3	20.1	13.6	14.7	13.1	11	11.5	11.1	16	15.8	16.8
0.96...1.02	9.17	10.1	10.6	8.61	10.1	7.85	5.64	6.22	5.95	7.65	8.54	8.87
1.02...1.06	3.23	5.21	5.8	3.69	4.84	2.61	2.39	2.6	2.43	2.29	5.3	6.45
1.06...1.10	0	2.12	1.52	1.13	1.95	0.00776	0	0	0	0	1.32	1.86
1.10...1.12	0	1.34	0.984	0.745	1.21	0.0388	0	0	0	0	0.859	1.27
1.12...1.14	0.0595	1.65	1.18	0.962	1.42	0.191	0.025	0.0646	0.0449	0.291	0.959	1.3
1.14...1.16	0.364	1.78	1.58	0.995	1.44	0.28	0.1	0.156	0.194	0.589	1.17	1.73
1.16...1.20	5.07	5.6	5.66	3.8	4.5	2.48	3.8	4.02	3.92	3.76	4.27	6.23
1.20...1.22	2.49	2.97	2.47	1.79	2.17	1.06	1.35	1.31	1.47	2.37	2.16	4.02
1.22...1.24	4.14	3.19	2.57	1.7	2.03	0.977	2.2	1.62	2.17	3.75	2.57	5.71
1.24...1.30	19.9	12	10.2	6.04	6.66	3.93	13.1	8.06	13.2	23.5	11.5	50.3
1.30...1.36	58.7	45.6	49.1	41.6	41.8	42.8	41.6	43.3	43.6	53.2	46.5	64.6
1.36...1.41	5.99	6.75	7.33	4.54	5.5	3.53	3.55	2.79	4.65	4.69	6.54	12.6
1.41...1.45	2.83	3.94	4.09	2.86	3.38	2.08	1.87	1.21	2.16	2.68	3.56	4.97
1.45...1.50	19.4	16.5	16.4	13.2	13.9	12.7	11.7	11.3	12.5	18.3	14.9	13
1.50...1.52	1.21	1.8	1.47	1.28	1.6	0.892	0.431	0	0.727	0.896	1.31	1.71
1.52...1.55	1.77	2.47	2.01	1.61	1.98	1.11	0.713	0	1.11	1.43	1.87	2.87
1.55...1.57	1.38	1.96	1.64	1.29	1.58	0.849	0.642	0	0.962	1.55	1.44	2.83
1.57...1.60	1.82	2.51	2.38	1.72	2.02	1.23	1.03	0.112	1.34	1.94	2.07	3.64
1.60...1.63	2.64	3.67	3.98	2.86	3.22	2.17	1.37	0	1.64	3.17	3.11	4.29
1.63...1.65	1.71	2.38	2.62	1.94	2.17	1.52	0.907	0.0254	1.09	2.22	1.92	2.39
1.65...1.70	6.19	7.32	8.36	6.21	6.65	5.27	3.8	2.05	4.16	6.48	6.62	7.34
1.70...1.73	5.13	5.56	6.02	4.51	4.75	3.94	3.21	2.25	3.4	5.16	5.13	5.05
1.73...1.79	16.5	14.9	16.5	9.73	10.5	8.88	12	11.4	12.1	15.4	14.3	13.1
1.79...1.81	1.12	1.95	1.66	1.5	1.74	1.03	0.376	0	0.646	1.07	1.39	1.42
1.81...1.85	1.72	2.91	2.82	2.21	2.45	1.56	0.688	0.0905	1.01	2.14	2.49	2.72
1.85...1.87	1.26	2.11	1.93	1.68	1.82	1.21	0.596	0.124	0.713	1.46	1.61	1.58
1.87...1.92	7.16	7.3	8.23	7.28	7.4	6.43	6.17	5.33	6.48	7.55	6.61	5.28
1.92...1.94	2.13	2.65	2.12	2.08	2.19	1.66	1.19	0.782	1.33	2.05	1.91	2.04
1.94...1.96	1.45	1.99	1.51	1.47	1.58	1.11	0.718	0.312	0.839	1.41	1.32	1.6
1.96...1.99	2.75	2.82	2.35	2.14	2.22	1.68	1.36	0.797	1.48	2.6	2.07	2.87
1.99...2.01	3.52	2.99	2.86	2.28	2.3	1.91	2.04	1.45	2.11	3.51	2.64	5.63
2.01...2.07	11.554	9.1461	9.251	7.7837	7.7903	7.0006	7.1952	5.9076	7.4552	11.772	8.3235	17.513
2.07...2.09	2.477	2.8024	2.6234	2.4659	2.4734	2.1545	1.4852	1.1833	1.5292	2.4013	2.1845	2.7223
2.09...2.11	3.0388	2.9429	2.7245	2.4677	2.4322	2.1059	1.7409	1.4348	1.8303	3.2612	2.3634	2.5861
2.11...2.17	21.715	18.948	18.865	18.236	17.886	18.048	16.065	16.528	16.529	20.035	16.663	10.914
2.17...2.20	3.002	3.0724	2.5311	2.8075	2.8876	2.5536	1.702	1.5817	1.9764	2.3172	2.4998	2.8001
2.20...2.22	1.1358	1.5175	1.1992	1.1061	1.1256	0.82287	0.55228	0.32988	0.66676	0.99187	1.1647	2.1535
2.22...2.27	4.2435	4.9571	3.9154	3.5451	3.444	2.8965	1.8898	1.5352	2.2866	6.0399	3.3592	5.3062
2.27...2.32	4.4886	4.9152	4.3694	3.8666	3.7056	3.0831	2.8651	2.6052	3.1633	3.4405	3.924	5.7347
2.32...2.37	7.4078	5.8549	4.9806	4.4903	4.2724	3.7976	4.336	4.2533	4.503	8.0973	4.8387	6.2161
2.37...2.41	1.9674	2.7118	1.6907	2.866	2.647	2.3689	1.766	1.784	1.9489	1.5145	1.3945	1.9421
2.41...2.47	7.9869	8.9625	8.2442	7.724	7.2224	7.1191	7.0372	7.4302	7.2077	7.0286	6.8216	4.3753
2.47...2.50	0.85609	2.0277	0.93092	1.2346	1.0586	0.84653	0.6558	0.68104	0.70243	0.70808	1.0422	0.99188
2.50...2.52	1.4387	2.2485	1.2023	1.3436	1.1483	1.0459	0.84622	1.0628	0.84863	1.372	1.2157	0.91857
2.52...2.57	7.3212	7.3138	5.5913	7.1825	6.6388	6.7242	5.7022	6.1295	5.8935	6.5008	6.0506	3.173
2.57...2.60	0	1.2635	0	0.6758	0.41875	0.20943	0	0.038409	0	0	0.31	0.40325
2.60...2.66	1.0097	2.9472	0.98998	1.5915	1.0287	0.82699	0.79267	0.99768	0.87267	1.1015	1.2905	1.712
2.66...2.68	0.34932	1.2184	0.35354	0.50688	0.22918	0.15126	0.40762	0.55033	0.36734	0.40317	0.51454	0.83149
2.68...2.71	0	0.92058	0.0039809	0.27307	0.0068772	0	0	0	0	0	0.15649	0.52019
2.71...2.76	0.014264	2.1196	0.023822	0.8833	0.22927	0.19169	0.21782	0.040468	0.15001	0.74438	0.43974	3.2568
2.76...2.79	0.10541	1.5593	0	0.49111	0	0.0034216	0.36301	0.010473	0.30404	0.62955	0.50909	2.7753
2.79...2.84	0	2.161	0.18665	0.82378	0.11913	0.18688	0.45934	0	0.30735	0.82227	0.72313	2.9635
2.84...2.88	0	1.5441	0.28464	0.81026	0.31735	0.42028	0.13985	0.065904	0.072062	0.58202	0.44926	0.75537
2.88...2.93	13.127	12.089	11.43	7.7391	7.121	7.4678	11.496	11.885	10.968	13.7	10.226	8.084
2.93...2.97	4.7316	5.3479	4.36	5.7632	5.1038	5.6405	3.857	3.801	3.8488	5.1203	4.2125	2.1333
2.97...3.03	5.8269	7.7928	5.9829	6.5294	5.6	6.2989	4.9495	4.9544	4.8344	9.6194	5.3645	5.21
3.03...3.09	1.6438	3.9995	3.5833	3.211	2.3596	2.8537	2.2766	1.8396	2.1596	3.0301	3.2999	5.0367
3.09...3.12	0.12359	1.5006	0.62556	0.8633	0.48897	0.73782	0.55617	0.31532	0.49416	0.93592	0.6329	0.7067
3.12...3.16	1.4502	3.7212	2.1337	2.4887	1.693	2.3436	1.9568	1.5804	1.8303	3.1373	2.0016	1.9154
3.16...3.18	0.81076	1.7135	1.2875	1.1022	0.68612	1.0528	0.94223	0.66115	0.88859	1.6936	0.98579	1.0165
3.18...3.20	6.3161	6.3733	4.9914	7.3822	6.7362	7.6742	5.984	5.7436	5.9517	8.6114	4.2232	2.9867
3.20...3.23	16.087	14.519	19.753	15.873	14.896	16.675	21.06	20.779	21.089	17.563	15.084	13.134
3.23...3.27	52.572	47.856	57.014	51.163	49.183	53.504	62.516	65.792	62.694	63.917	47.832	33.914
3.27...3.33	5.7886	8.441	5.8576	6.2684	5.6589	6.4425	5.0267	5.5327	4.9765	7.1013	6.6139	4.6863
3.33...3.35	0.70622	1.5895	0.93207	0.92828	0.59756	0.98231	0.81853	0.58274	0.78762	1.4106	0.94716	0.9085
3.35...3.37	0.83589	1.7811	1.7762	1.1909	0.77415	1.3388	0.92892	0.56699	0.87013	1.7621	1.201	1.2085
3.37...3.42	72.929	64.656	67.584	67.211	64.138	70.735	83.336	87.542	83.694	73.721	70.154	43.803
3.42...3.48	75.73	64.848	68.728	68.003	65.682	71.376	83.63	89.341	83.859	70.432	70.665	47.338
3.48...3.50	10.04	8.6056	9.376	9.3065	9.1455	9.6132	10.256	11.111	10.144	9.2972	9.2028	6.0707
3.50...3.54	25.469	21.236	22.041	22.892	21.976	23.955	27.208	28.564	27.274	22.723	22.171	15.935
3.54...3.57	15.148	13.802	14.651	16.035	15.312	16.836	16.297	16.802	16.252	13.719	16.204	21.811
3.57...3.61	7.264	11.389	12.47	19.213	18.441	20.272	16.683	17.264	16.655	5.8656	18.486	18.254
3.61...3.67	21.081	23.548	23.924	31.426	30.173	33.454	28.521	29.367	28.538	20.288	33.269	38.835
3.67...3.73	66.329	59.606	65.566	70.387	67.842	74.419	79.648	84.282	79.979	57.09	70.63	50.024
3.73...3.79	59.152	54.062	56.29	65.849	63.945	69.011	66.657	70.726	66.493	52.714	63.902	50.253
3.79...3.85	66.047	61.391	64.69	71.596	69.564	75.4	74.788	79.337	74.859	67.116	75.205	69.506
3.85...3.90	56.057	51.57	58.892	62.839	61.845	65.454	66.907	71.81	66.486	51.306	63.274	50.719
3.90...3.96	11.6	13.461	13.989	19.668	19.703	19.788	16.945	17.116	15.991	11.869	17.725	16.491
3.96...4.01	10.182	10.544	10.65	13.243	13.231	13.306	11.62	11.134	10.766	9.7923	12.826	11.571
4.01...4.07	7.0384	8.0709	7.0718	8.5706	8.5483	8.5393	6.0749	5.0089	5.1768	10.445	7.6726	11.131
4.07...4.13	12.335	10.173	11.253	11.589	11.21	11.767	10.376	8.5129	9.4633	12.997	10.083	8.4599
4.13...4.15	1.1698	1.1765	0.86233	1.3854	1.3932	1.3328	1.2245	0.56623	0.88025	1.4039	0.71554	0.93674
4.15...4.19	2.18	2.5787	1.9126	2.8485	2.8201	2.8513	2.6297	1.4242	2.0165	3.1671	1.6037	2.0774
4.19...4.25	4.876	5.6356	4.3772	4.8773	4.7385	5.0118	3.8459	1.8969	2.8631	7.7681	4.1958	7.716
4.25...4.29	4.3593	4.0685	4.5955	4.668	4.6097	4.8659	3.9296	2.4221	3.2229	5.7329	3.0462	3.1042
4.29...4.35	3.7196	3.9764	3.6815	4.5836	4.4338	4.7753	3.868	1.8551	2.9551	4.8139	2.6567	3.1485
4.35...4.41	2.6352	3.3484	2.3264	4.296	4.124	4.4895	2.8566	0.49593	1.8916	3.7921	1.7213	2.282
4.41...4.46	2.3556	2.7208	1.7329	3.3947	3.2054	3.5989	2.7665	1.0635	1.8508	3.4531	1.1274	1.6662
4.46...4.51	0.9284	1.5509	0.29837	2.2581	2.0742	2.4869	1.6034	0.38806	0.69827	1.9017	0.21903	0.91282
4.51...4.55	0.022687	0.61858	0.088628	0.71175	0.62484	0.85669	0.565	0.016025	0.032357	0.65232	0.0054428	0.27808
4.55...4.60	0.71899	0.72257	0.29515	1.6469	1.5264	2.1077	1.2823	0.40085	0.7783	1.1391	0.34445	0.15332
5.10...5.16	0	0.070848	0	0.080583	0.0041758	0.14534	0.021636	0	0	0	0	0
5.16...5.18	0.11399	0.20298	0.14711	0.38475	0.34775	0.51322	0.17842	0.26239	0.28	0.097128	0.14649	0.15561
5.18...5.20	0	0.13321	0.04019	0	0	0.22696	0	0.012224	0.15055	0	0	0.11129
5.20...5.26	15.613	13.651	15.262	16.477	15.891	17.241	19.081	20.192	19.24	12.574	16.258	11.001
5.26...5.28	0	0.25678	0	0.0028139	0.016645	0	0	0	0	0	0.0011218	1.3497
5.28...5.30	0.014676	0.33734	0.019848	0	0	0	0	0	0	0.060649	0	2.1694
5.30...5.32	0.20257	0.41819	0.16113	0.055444	0.017512	0.053858	0.22859	0.10833	0.080842	0.32154	0	3.6023
5.32...5.37	0.17993	1.9484	1.6787	1.2349	1.09	1.5345	1.9957	2.1504	1.7976	0	1.3466	7.5144
5.37...5.43	2.9413	6.8103	7.0102	12.731	12.47	13.353	8.8759	9.8227	8.744	3.8876	12.885	14.68
5.43...5.47	0	0.14768	0.046185	0.11543	0.134	0	0.022247	0.057328	0	0	0	0.086662
5.47...5.49	0.041965	0.058621	0.016085	0	0	0	0.0096209	0.031416	0.0028388	0.032084	0	0
5.49...5.52	0	0.033427	0.034437	0	0.0074765	0.0030297	0	0	0	0.0017513	0.017871	0.0050867
5.52...5.58	0.018136	0	0	0	0	0	0.0075412	0.0041935	0	0.0015743	0.0012629	0
5.58...5.61	0	0	0	0	0.0027579	0	0	0	0	0	0	0
5.61...5.65	0.0098334	0	0.020661	0.046099	0.045026	0.023983	0.0059497	0.024576	0.016248	0.023717	0.0099502	0.014226
5.65...5.68	0	0	0	0	0.0021363	0	0	0	0	0	0	0
5.68...5.74	0.014139	0	0	0.0031601	0	0	0	0.0079844	0	0	0.0005133	0
5.74...5.77	0	0	0	0	0.0032477	0.0054513	0.010854	0	0.0070838	0.012196	0.0047673	0
5.77...5.82	0	0	0.0069161	0.041079	0.014963	0.014499	0	0.018651	0	0	0.001506	0.028694
5.82...5.87	0	0	0	0.0055609	0	0.012549	0	0.045984	0	0	0	0.0052563
5.87...5.92	0.87324	0.5061	0.53333	0.94955	0.87459	1.0026	0.85019	0.927	0.84753	0.81068	0.48594	0.48698
5.92...5.94	0	0	0	0.063569	0.066672	0.078914	0	0	0	0.0028196	0	0.083674
5.94...6.00	0.1222	0.26478	0.46025	0.68355	0.67642	0.74628	0.044656	0.2017	0.072657	0.023058	0.11225	0.46329
6.00...6.04	0.0006888	0	0	0.0016569	0.0042844	0	0	0	0	0	0	0.00026544
6.04...6.07	0	0	0	0	0	0	0	0	0	0	0.006404	0.05662
6.07...6.11	1.5669	0.92304	1.4684	1.3937	1.3816	1.4898	1.2698	1.451	1.2682	1.5083	1.0832	0.79238
6.11...6.17	0.40797	0.37428	0.70828	0.92573	0.9251	0.96418	0.3726	0.65187	0.33503	0.40452	0.66613	0.45369
6.17...6.20	0	0	0	0	0.013032	0.012146	0	0	0	0.0015755	0.006365	0.0020107
6.20...6.23	0.018723	0	0.045649	0.009795	0.0041801	0.012564	0.0099021	0.024252	0.0042362	0.00048724	0.017963	0.011259
6.23...6.28	0.001088	0	0	0	0	0	0	0	0.000024507	0	0	0
6.28...6.31	0	0	0	0.0014576	0.0030606	0.0078356	0.0033434	0	0.0021069	0	0.00256	0.00016918
6.31...6.35	0	0	0	0	0	0	0.0048257	0.0013629	0	0.023657	0.0019218	0
6.35...6.38	0	0	0	0	0.0017362	0.0019962	0	0	0.0038385	0.0098845	0	0.0069817
6.38...6.44	0.0023799	0	0.017832	0	0.0040257	0	0.00063626	0.0015636	0	0	0	0
6.44...6.46	0	0	0	0.0044166	0	0.0040126	0	0.010315	0.0029904	0.0066577	0.0096618	0
6.46...6.49	0	0	0.020363	0	0	0	0.0092107	0	0.01105	0.0035754	0	0.010754
6.49...6.55	0.29409	0.022101	0.23879	0.16976	0.16597	0.15559	0.32767	0.28808	0.30888	0.29041	0.20645	0.18294
6.55...6.59	0	0	0	0	0	0	0.0048071	0	0	0.0042604	0	0
6.59...6.64	0.0053987	0.026584	0	0.004502	0.14609	0.020256	0	0	0	0	0.0094243	0.0084521
6.64...6.69	0	0.064109	0	0.0051499	0.19344	0.021643	0.011563	0.00025787	0.0016176	0.0037148	0	0
6.69...6.72	0.0078066	0.051426	0.019713	0	0.10824	0	0	0.0046346	0	0	0	0
6.72...6.75	0	0.067033	0	0	0.13852	0	0	0	0.00031215	0	0	0
6.75...6.80	0	0.32438	0.0060752	0.10384	0.64836	0.21984	0.013008	0.021739	0	0.00031746	0	0.019969
6.80...6.84	0.0028923	0.47505	0.012525	0.0044721	0.56338	0.038467	0	0	0.010741	0.01017	0.016162	0.0018787
6.84...6.90	0.8354	0.98604	0.66008	0.41777	0.96547	0.43195	0.58457	0.56087	0.53754	0.74803	0.57671	0.53852
6.90...6.92	0	0.11427	0	0	0.16679	0	0.0065793	0.0089149	0	0	0	0
6.92...6.98	0	0.33276	0	0.0039459	0.57651	0.0067803	0	0	0	0.0018227	0	0
6.98...7.02	0	0.26733	0	0.0056985	0.40955	0.0073729	0.012325	0.0012989	0.011018	0.0094515	0	0.005977
7.02...7.06	0.010072	0.33952	0.0069674	0	0.38375	0	0	0	0.0026588	0	0.0039868	0
7.06...7.10	0.40174	0.48214	0.27702	0.14682	0.48345	0.26028	0.20349	0.21446	0.24291	0.26578	0.20268	0.14708
7.10...7.14	0.47111	0.46324	0.0045966	0.017874	0.58216	0.37855	0.015029	0.01212	0.004069	0.0071896	0	0.004582
7.14...7.16	0.27653	0.18502	0.0071247	0	0.20162	0.15632	0	0	0	0	0	0.0041101
7.16...7.20	2.2583	1.6141	0.89995	0.80287	1.1471	1.1854	1.2501	1.1499	1.2471	1.1268	0.79266	0.69986
7.50...7.56	0	0.54867	0.091074	0.03283	0.61259	0	0	0	0	0	0.04294	0.097038
7.56...7.61	0.5849	0.81444	0.67602	0.59015	0.89289	0.5349	0.6202	0.65032	0.58862	0.65589	0.53718	0.37472
7.61...7.65	0	0.1996	0	0	0.24136	0	0	0	0.0017782	0.0070263	0	0.0015986
7.65...7.71	0.006553	0.24651	0	0.0073274	0.33885	0.0052004	0.0072038	0	0	0	0.0075202	0
7.71...7.74	0.026277	0.18146	0.041007	0.023959	0.15683	0.049149	0.001556	0.023061	0.016426	0.0011824	0.0044329	0.068987
7.74...7.77	0	0.098197	0	0	0.087535	0	0	0	0	0	0	0
7.77...7.80	0	0.11216	0	0.00070353	0.057848	0.0016363	0.0055169	0	0.0047106	0	0	0.013637
7.80...7.83	0	0.073658	0	0	0.016797	0	0	0	0.0013538	0	0	0.0022382
7.83...7.89	1.2284	0.97572	0.82924	0.99301	1.1108	1.0318	0.93458	0.99555	0.96424	1.0634	0.75789	0.54074
7.89...7.91	0	0.037298	0.0029327	0.0019184	0.066074	0	0	0	0	0	0	0
7.91...7.97	0.52355	0.73518	0.60802	0.57676	0.76633	0.60519	0.32132	0.33672	0.37887	0.66671	0.42346	0.37429
7.97...8.03	0	0.34124	0.030881	0.018328	0.2323	0.007019	0.0084322	0.0032068	0.0034294	0	0	0.055452
8.03...8.06	0	0.10954	0	0	0.061385	0	0	0	0	0	0	0
8.06...8.10	0.0023445	0.12941	0.0035747	0.11993	0.24838	0.10342	0.034624	0.011566	0.020396	0	0.0056526	0.0044339
8.10...8.15	0	0.098402	0	0	0.034182	0	0.000072523	0	0	0.0046142	0	0
8.15...8.19	0.56632	0.43277	0.32457	0.4133	0.4109	0.48102	0.44144	0.39074	0.45655	0.54769	0.32519	0.2708
8.19...8.21	0.51951	0.35146	0.30061	0.30317	0.31445	0.34703	0.39115	0.37899	0.45386	0.52891	0.25197	0.16426
8.21...8.27	1.9908	1.6716	2.026	1.9881	2.0776	2.1141	1.7039	1.6966	1.7541	1.905	1.5011	1.1128
8.27...8.29	0.081133	0.18549	0.039475	0.045337	0.16458	0.040019	0.032083	0.0017386	0.000028052	0	0.027205	0.013977
8.29...8.32	0.042371	0.073318	0	0	0.035137	0.0036393	0	0	0.0013726	0	0	0
8.32...8.37	2.2344	1.8778	1.4645	1.6652	1.7517	1.7159	1.7523	2.0175	1.7372	2.1772	1.0286	0.80889
8.37...8.42	0	0.17203	0.76055	0.016381	0.17546	0.011687	0	0.04857	0	0.024598	0.54317	0.45148
8.42...8.44	0	0.08437	0	0	0.065719	0	0	0	0	0.0019446	0	0
8.44...8.49	0.025115	0.30506	0	0	0.22391	0	0	0.013923	0	0.0018173	0	0.0020704
8.49...8.55	0	0.52069	0.14929	0.26642	0.47827	0.23369	0.0094418	0	0.022873	0.01444	0.040666	0.20955
8.55...8.60	0.12078	0.39599	0.21038	0.4774	0.61982	0.47091	0.20574	0.1589	0.18547	0.012709	0.17695	0.14273
8.60...8.64	0	0.12746	0	0	0.072264	0	0.0028987	0.0018542	0	0.0032251	0	0.00088674
8.64...8.66	0.010104	0.08968	0	0.010162	0.026146	0.0033905	0.0018946	0	0	0.015833	0.0045655	0.0035508
8.66...8.68	0.027824	0.043243	0.012632	0	0.015476	0	0	0	0.029453	0	0	0
8.68...8.73	0.62894	0.56661	0.55382	0.50288	0.50673	0.51494	0.46145	0.4904	0.49681	0.61236	0.45718	0.31242
8.73...8.78	0.010514	0.15879	0	0	0	0	0.0081531	0.00099639	0	0.0080006	0	0.0080872
8.78...8.81	0.010213	0.082483	0	0	0	0	0	0	0	0	0	0.0052473
8.81...8.87	0	0.17655	0.00064374	0.0020149	0.013969	0.003714	0	0.0037204	0.0098002	0.0043314	0	0
8.87...8.90	0.019789	0.061936	0	0	0	0	0.015477	0.004283	0	0	0.013817	0.0026183
8.90...8.95	0.39157	0.4021	0.44735	0.38978	0.35511	0.40917	0.30013	0.3052	0.39593	0.47436	0.31503	0.21201
8.95...8.97	0	0.056797	0	0	0	0	0.0081215	0.0048326	0.0044563	0.011954	0.0055309	0
8.97...9.00	0.0037377	0.060561	0	0.004283	0	0.00088992	0	0	0.0031206	0	0	0.0060251
NMR_BINNED_DATA_END
#END