#METABOLOMICS WORKBENCH wpathmasiri_20140314_9338391_mwtab.txt DATATRACK_ID:67 TEXT OUTPUT STUDY_ID:ST000035 ANALYSIS_ID:AN000055 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(EstroSTAT-Liver )
ST:STUDY_TYPE                    	Metabolomics
ST:STUDY_SUMMARY                 	In the EstroSTAT sub-study, a total of 18 samples from 23 week old, female
ST:STUDY_SUMMARY                 	C57BL/6 mice; comprised of 6 urine samples, 6 serum 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 Low phyto-estrogen 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                	EstroSTAT_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:GENDER                        	Female
SU:ANIMAL_HOUSING                	Conventional
SU:ANIMAL_FEED                   	Low phyto-estrogen 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           	-	LEC906	Treatment Group:Control	
SUBJECT_SAMPLE_FACTORS           	-	LEC920	Treatment Group:Control	
SUBJECT_SAMPLE_FACTORS           	-	LEC922	Treatment Group:Control	
SUBJECT_SAMPLE_FACTORS           	-	LPL101	Treatment Group:Pooled QC	
SUBJECT_SAMPLE_FACTORS           	-	LPL102	Treatment Group:Pooled QC	
SUBJECT_SAMPLE_FACTORS           	-	LPL103	Treatment Group:Pooled QC	
SUBJECT_SAMPLE_FACTORS           	-	LPL201	Treatment Group:Pooled QC	
SUBJECT_SAMPLE_FACTORS           	-	LPL202	Treatment Group:Pooled QC	
SUBJECT_SAMPLE_FACTORS           	-	LPL203	Treatment Group:Pooled QC	
SUBJECT_SAMPLE_FACTORS           	-	LES365	Treatment Group:STAT	
SUBJECT_SAMPLE_FACTORS           	-	LES910	Treatment Group:STAT	
SUBJECT_SAMPLE_FACTORS           	-	LES911	Treatment Group:STAT	
#COLLECTION
CO:SAMPLE_TYPE                   	liver
CO:COLLECTION_TIME               	23 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  	EstroSTAT_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)	LEC906	LEC920	LEC922	LPL101	LPL102	LPL103	LPL201	LPL202	LPL203	LES365	LES910	LES911
0.50...0.54	0.010701	0.0038383	0	0.030538	0.78202	0.010983	0	0.0042609	0.0033256	0.015311	0.0091402	0
0.54...0.56	0	0.0023992	0	0	0.70416	0	0	0.00036968	0	0	0.015193	0.0084952
0.56...0.59	0	0	0	0	0.64529	0	0	0	0	0	0	0
0.59...0.61	0.006697	0.091674	0.016021	0.057811	0.70822	0.025887	0.029069	0.01006	0	0.0027716	0.020413	0.036334
0.61...0.65	7.0454	13.196	6.4442	4.3817	6.1016	4.552	8.6578	9.4878	8.4655	6.261	7.0747	7.0862
0.65...0.67	0	0.22493	0	0.34142	0.97116	0.30952	0	0	0.022248	0	0	0.29052
0.67...0.69	0.032533	0.27274	0.0010726	0.53168	1.1529	0.46098	0.29369	0.32971	0.34029	0.016128	0	0.36012
0.69...0.74	0.10475	1.0115	0.00068552	2.1396	3.5179	1.8393	0.34127	0.40137	0.47486	0.0076255	0	1.1629
0.74...0.76	0.001003	0.60585	0	1.0216	1.6318	0.834	0	0	0	0	0	0.68266
0.76...0.78	0	0.77757	0.00676	1.2583	1.8043	1.0334	0	0	0.0047992	0	0.017099	0.89993
0.78...0.80	0.047582	1.0061	0.0068865	1.6663	2.2111	1.3988	0.0017285	0	0.023816	0.072686	0.0049173	1.0862
0.80...0.82	0.18937	1.2491	0.022481	1.7668	2.2665	1.4569	0.16832	0.14925	0.18142	0.17146	0.098755	1.1705
0.82...0.84	0.92481	2.1425	0.63929	2.2174	2.7022	1.8918	0.84285	0.84046	0.84839	0.68002	0.76144	1.7026
0.84...0.90	9.7982	17.167	11.698	9.5099	10.768	8.8012	8.7984	6.983	8.9655	8.9961	9.975	11.401
0.90...0.96	9.0226	11.147	7.9531	13.347	14.429	12.775	10.773	11.181	10.852	7.6418	8.1031	10.408
0.96...1.02	4.418	6.3949	4.0548	8.4408	9.8868	7.6821	5.5105	6.068	5.8061	4.1409	3.9278	6.4693
1.02...1.06	1.4736	2.8482	1.3999	3.5707	4.6468	2.5566	2.3348	2.5422	2.3761	1.4154	1.359	3.0248
1.06...1.10	0	1.2648	0	1.2392	2.1363	0.0076101	0	0	0	0	0	1.2068
1.10...1.12	0.015046	0.98676	0.21839	0.88683	1.3947	0.089519	0	0	0.0060532	0.020972	0.006982	0.82586
1.12...1.14	0.036873	0.9383	0.28551	0.85213	1.272	0.14892	0.020024	0.05066	0.039695	0.099264	0	0.83751
1.14...1.17	1.0875	2.7184	1.2421	1.4704	2.0291	0.53727	0.3557	0.44276	0.45351	0.56809	0.22902	1.8173
1.17...1.20	2.0168	3.5268	2.4493	3.1258	3.6138	2.168	3.4994	3.6692	3.5981	1.8237	1.056	2.8865
1.20...1.22	1.5352	3.3103	2.1569	1.816	2.1903	1.0704	1.3824	1.3182	1.4862	1.375	1.3453	2.1945
1.22...1.24	2.5406	5.275	3.3932	1.6686	1.9873	0.95237	2.2428	1.6266	2.2059	2.1776	2.4046	2.8345
1.24...1.30	16.382	33.798	22.887	5.8204	6.4077	3.7912	12.591	7.7443	12.725	15.208	17.103	16.451
1.30...1.36	38.788	43.974	40.205	40.693	40.86	41.786	40.623	42.179	42.523	37.76	37.058	39.921
1.36...1.41	2.3356	7.1967	4.8043	4.5117	5.4694	3.5013	3.5352	2.7693	4.6323	3.7527	2.2585	6.1359
1.41...1.45	0.53854	2.7194	1.697	2.7077	3.2018	1.9704	1.7728	1.1461	2.0476	1.4155	0.39607	2.5973
1.45...1.50	9.4695	11.967	10.889	13.037	13.761	12.447	11.447	11.08	12.269	11.865	10.614	11.958
1.50...1.52	0	1.5431	0.80633	1.256	1.569	0.87615	0.42323	0	0.71344	0.67694	0	1.3638
1.52...1.55	0.29451	2.5641	1.3353	1.5778	1.9427	1.084	0.69662	0	1.0793	1.1205	0	1.9608
1.55...1.57	0.25408	2.1562	1.1179	1.2325	1.4976	0.80673	0.607	0	0.9093	0.87902	0	1.5734
1.57...1.59	0.41407	2.478	1.3285	1.6305	1.9147	1.1559	0.98364	0.10843	1.2768	1.0887	0.012064	1.8752
1.59...1.63	0.54248	2.5958	1.675	2.8426	3.2062	2.1505	1.3619	0	1.637	1.4549	0	2.4919
1.63...1.65	0.31214	1.4124	0.98619	1.8981	2.1169	1.4784	0.88554	0.021546	1.0589	0.86919	0.039198	1.4534
1.65...1.70	1.9023	4.2849	3.1734	6.1494	6.572	5.1971	3.7394	1.9979	4.0942	2.9663	1.1512	4.5175
1.70...1.73	1.7972	3.141	2.5529	4.4222	4.6504	3.8555	3.1389	2.1953	3.325	2.371	1.5058	3.4548
1.73...1.79	8.1233	16.643	8.6584	9.536	10.275	8.685	11.731	11.107	11.862	8.6251	7.7719	10.744
1.79...1.81	0	0.84819	0.50659	1.5111	1.744	1.0351	0.37211	0	0.64435	0.47522	0	1.1593
1.81...1.85	0	1.221	0.87219	2.211	2.444	1.5527	0.69157	0.089737	1.0043	0.80832	0	1.673
1.85...1.87	0.10412	0.90475	0.5476	1.5269	1.6428	1.1027	0.54036	0.12205	0.64383	0.57143	0.12864	1.0989
1.87...1.92	2.848	4.5259	4.457	7.1384	7.2425	6.2885	6.0195	5.1822	6.3162	4.1181	3.147	5.356
1.92...1.94	0.54419	1.4336	1.1248	2.0467	2.1475	1.6351	1.1687	0.77111	1.3074	0.99969	0.60774	1.5774
1.94...1.96	0.29534	1.1593	0.7824	1.4414	1.5464	1.0868	0.69677	0.29951	0.81289	0.63915	0.34283	1.2086
1.96...1.99	0.98116	2.4046	1.6455	2.1414	2.2183	1.6791	1.3519	0.78746	1.4748	1.326	1.1086	1.9781
1.99...2.01	1.8329	3.6344	2.6507	2.3003	2.3154	1.9224	2.0552	1.4492	2.1225	1.9974	2.0225	2.5682
2.01...2.07	6.3467	9.5622	8.4669	7.5697	7.564	6.7949	6.972	5.7202	7.2188	6.6537	6.498	8.0746
2.07...2.09	1.1009	1.805	1.5577	2.4177	2.4215	2.1075	1.4512	1.1537	1.4933	1.3634	1.2094	2.0184
2.09...2.11	1.1927	1.8781	1.6559	2.4195	2.3812	2.06	1.701	1.3989	1.7874	1.6173	1.3112	2.025
2.11...2.17	14.858	16.108	16.241	17.88	17.511	17.654	15.696	16.115	16.142	16.453	16.962	16.67
2.17...2.19	1.6975	2.8173	2.3901	2.6939	2.7635	2.4551	1.6376	1.5311	1.8954	2.1906	1.9492	2.7203
2.19...2.22	0.50576	1.3821	0.92601	1.2091	1.2295	0.89642	0.59372	0.34979	0.72099	0.74683	0.44709	1.2448
2.22...2.27	1.8188	3.9768	3.26	3.7629	3.6393	3.0753	2.0556	1.6934	2.4818	2.712	1.9161	3.7066
2.27...2.32	1.2576	2.2723	1.846	3.4634	3.3217	2.7409	2.5698	2.3291	2.8158	1.7613	0.9213	2.6946
2.32...2.37	2.6946	3.6705	3.8507	4.3568	4.1405	3.6876	4.2174	4.1372	4.3756	4.0698	2.8149	4.4544
2.37...2.41	0.60653	0.84907	0.86875	2.8121	2.5944	2.3202	1.7232	1.7395	1.9006	1.0369	0.51129	1.5013
2.41...2.47	5.1951	4.3773	5.2268	7.593	7.0887	6.973	6.8827	7.2486	7.0476	5.6171	5.3297	6.1519
2.47...2.50	0.43326	0.65177	0.62814	1.2104	1.0364	0.82807	0.64078	0.66401	0.68597	0.76404	0.43803	1.1208
2.50...2.52	0.8098	1.047	0.99892	1.3173	1.1242	1.0231	0.82683	1.0362	0.82875	0.97428	0.874	1.2852
2.52...2.57	6.4553	6.9239	7.3035	7.042	6.4996	6.5775	5.5715	5.9763	5.7555	7.8492	7.9861	7.6976
2.57...2.60	0.039811	0.22389	0.27283	0.66258	0.40997	0.20486	0	0.037449	0	0.40086	0.14224	0.78304
2.60...2.66	0.70073	0.50086	0.75568	1.5604	1.0072	0.80895	0.7745	0.97274	0.85223	0.85574	0.35723	1.3225
2.66...2.69	0.19877	0.056016	0.17297	0.53092	0.22529	0.13991	0.37629	0.53647	0.34233	0.3864	0.19724	0.49689
2.69...2.71	0	0	0	0.23249	0.0051018	0	0	0	0	0.05936	0	0.25912
2.71...2.76	0.02351	0.84704	1.067	0.87471	0.2235	0.18801	0.2124	0.038796	0.14708	0.71897	0.69421	1.2378
2.76...2.79	0.027658	0.84033	0.97937	0.46667	0	0.0058001	0.35266	0.012759	0.29468	0.77522	0.69866	0.90724
2.79...2.83	0	0.67032	0.73217	0.58458	0.052144	0.092573	0.40973	0.010436	0.30635	0.73858	0.5746	0.88582
2.83...2.88	0	0	0.25691	1.0099	0.36796	0.48971	0.1761	0.051256	0.069859	0.50226	0.23892	0.79602
2.88...2.93	9.2539	15.048	8.7116	7.558	6.9425	7.2748	11.202	11.562	10.682	9.3714	10.113	9.8755
2.93...2.99	6.2182	6.1449	7.1498	7.633	6.7154	7.4407	5.083	5.0645	5.0262	7.4273	7.8066	8.0438
2.99...3.04	2.537	2.03	2.7242	4.8816	4.1334	4.6572	3.8134	3.7341	3.7164	2.8084	2.8059	3.1907
3.04...3.09	0.57723	0.21694	0.80142	2.7988	2.0008	2.4621	1.9733	1.5402	1.8748	1.3386	0.93732	1.377
3.09...3.15	0.99369	0.90652	1.2485	2.3639	1.5901	2.1622	1.7646	1.4167	1.6283	1.8601	1.4913	1.7542
3.15...3.17	0.36295	0.23569	0.47533	1.3637	0.84129	1.2793	1.0114	0.67187	0.95194	0.88325	0.67756	0.87731
3.17...3.20	4.3904	3.8561	4.3506	7.3433	6.6091	7.5956	5.7382	5.5564	5.6747	3.7484	4.6609	4.5511
3.20...3.23	14.83	12.35	13.978	15.982	14.896	16.727	21.173	20.65	21.186	16.215	14.357	15.241
3.23...3.27	53.809	40.866	45.762	50.237	48.224	52.411	61.145	64.215	61.287	50.573	52.074	51.464
3.27...3.33	6.4894	7.1934	6.8069	6.1002	5.4776	6.2581	4.8747	5.3366	4.8259	6.6583	7.2295	7.0311
3.33...3.35	0.73099	0.74275	0.79827	0.91082	0.58601	0.96748	0.81325	0.56606	0.77583	1.2161	0.97508	1.0171
3.35...3.37	0.86312	0.78769	1.0115	1.218	0.79493	1.3652	0.99052	0.62614	0.94829	1.4834	1.2661	1.1951
3.37...3.42	73.815	59.071	64.94	66.035	62.952	69.316	81.619	85.549	81.931	75.637	74.799	71.102
3.42...3.48	68.969	58.137	63.761	66.637	64.279	69.779	81.619	87.044	81.782	74.006	72.291	67.64
3.48...3.50	8.6767	7.7839	8.5788	8.8854	8.7097	9.1747	9.8399	10.617	9.744	9.4636	9.527	8.7847
3.50...3.54	21.347	18.714	20.683	22.274	21.356	23.264	26.375	27.672	26.425	23.448	23.111	21.622
3.54...3.59	35.95	31.495	32.713	27.072	25.882	28.397	26.305	27.125	26.242	30.283	31.839	29.414
3.59...3.61	10.561	8.877	9.4683	7.6512	7.3205	8.0638	6.1261	6.301	6.0921	8.7774	9.2173	8.225
3.61...3.67	50.794	45.148	46.745	30.812	29.54	32.725	27.868	28.633	27.87	42.475	45.146	40.147
3.67...3.73	76.62	67.54	71.256	69.01	66.419	72.796	77.822	82.175	78.105	77.282	76.625	70.166
3.73...3.78	74.73	68.345	70.489	62.563	60.633	65.463	63.362	67.147	63.219	70.49	74.465	65.423
3.78...3.80	7.9848	7.3154	7.9055	6.8151	6.5828	7.1589	5.8438	5.848	5.7771	7.3083	8.0834	6.9794
3.80...3.86	103.25	90.561	94.878	78.037	76.009	81.747	78.758	83.648	78.666	95.86	98.782	87.581
3.86...3.91	57.214	50.332	53.893	53.972	53.102	55.943	60.26	64.455	59.732	55.915	57.227	51.582
3.91...3.97	28.247	24.07	26.484	19.406	19.335	19.566	16.368	16.26	15.449	22.762	25.62	21.392
3.97...4.02	9.231	8.0733	9.2993	9.6259	9.6205	9.5936	8.2828	7.7786	7.5104	7.874	9.2976	7.63
4.02...4.07	4.738	3.052	5.2139	6.7701	6.7278	6.7107	4.7014	3.7508	3.9702	4.303	5.1727	3.8804
4.07...4.13	7.6076	5.192	8.1613	11.35	10.962	11.498	10.128	8.2923	9.227	7.5434	8.3336	7.1813
4.13...4.15	0.63215	0	0.92586	1.3793	1.3865	1.3254	1.2044	0.56692	0.87028	0.69376	0.85702	0.56219
4.15...4.20	1.945	0	2.226	3.4498	3.4063	3.4461	3.0452	1.5383	2.2629	2.1049	2.5552	1.9535
4.20...4.25	1.994	0.39381	2.898	4.2426	4.1076	4.3649	3.3683	1.7249	2.5646	2.3351	2.8996	2.0926
4.25...4.29	2.0791	0.73522	2.7401	4.4402	4.3811	4.6198	3.7456	2.3308	3.0849	2.4007	2.9247	2.101
4.29...4.33	1.2797	0	2.1125	3.1775	3.0834	3.3064	2.7652	1.3248	2.1084	1.6492	2.0923	1.3295
4.33...4.38	1.9375	0.63252	2.8212	4.3255	4.157	4.4983	2.8628	0.90685	2.0188	2.4418	3.0114	1.8149
4.38...4.44	1.3574	0.7007	2.1989	3.8547	3.6751	4.0674	3.1938	1.2115	2.2773	2.0145	2.4908	1.3561
4.44...4.47	0.0026172	0	0.43508	0.84239	0.75164	0.88368	0.56218	0	0.18016	0.30587	0.51797	0
4.47...4.52	0.61178	0.346	1.4411	2.1352	1.9653	2.3552	1.5174	0.39517	0.65879	1.4177	1.7327	0.66613
4.52...4.55	0	0	0.38569	0.6719	0.58932	0.80959	0.53884	0.028872	0.037155	0.34713	0.48878	0.11608
4.55...4.60	0.76631	0.9158	1.3913	1.5915	1.4838	1.9961	1.2328	0.42127	0.76107	1.6672	1.9188	1.1153
4.60...4.62	0	0	0.00045719	0.072633	0	0.31126	0.097233	0	0.037667	0.086908	0.093132	0.028809
4.62...4.68	17.936	15.535	16.954	17.228	16.528	18.058	20.411	21.698	20.47	19.009	18.946	16.948
4.68...4.70	0	0	0.0043395	0.0050777	0.02014	0.0015643	0	0	0	0	0.025691	0
4.85...4.88	0	0	0	0.0020649	0	0	0	0	0	0	0	0
4.88...4.94	0.18949	0.14424	0.19102	0.23499	0.1682	0.12009	0	0.12724	0	0.15357	0.27366	0.10736
4.94...4.99	0.036937	0.0020668	0.0033755	0.33468	0.30179	0.10307	0.12709	0.56585	0.32303	0.00038601	0	0.0035817
4.99...5.03	0	0.0073698	0.0053292	0.012782	0	0	0	0	0	0	0	0.0040405
5.03...5.05	0	0	0	0	0	0	0.0060451	0.0056206	0	0	0.0032942	0
5.05...5.08	0	0	0	0.004624	0	0.0022967	0	0	0	0	0	0
5.08...5.14	0.074212	0.035988	0.2166	0.29364	0.19779	0.31017	0.22985	0.11675	0.13872	0.15796	0.064505	0.044841
5.14...5.18	0.30725	0.47539	0.69811	0.33128	0.28951	0.5104	0.12801	0.22076	0.24341	0.59983	0.68462	0.43203
5.18...5.20	0	0	0	0	0	0.24075	0	0.0025503	0.17163	0	0	0.019253
5.20...5.26	17.163	14.747	16.908	16.172	15.58	16.843	18.659	19.698	18.774	17.596	17.276	15.977
5.26...5.29	0	0	1.2179	0.0056337	0.0067459	0	0	0	0	0.030885	0	0
5.29...5.31	0.021515	0.1175	1.3031	0	0	0	0.032736	0.0010056	0.005759	0.32685	0.04641	0.016151
5.31...5.37	0.095454	0	2.8826	1.1283	0.98667	1.3782	1.9249	1.9782	1.6586	1.252	0	0.10982
5.37...5.43	24.978	21.441	23.102	12.607	12.312	13.234	8.8538	9.7849	8.6974	20.123	20.826	18.394
5.43...5.48	0	0	0.1458	0.10834	0.12138	0	0.020668	0.050309	0	0	0	0
5.48...5.53	0.024161	0.023794	0.020463	0	0.0066011	0	0.008152	0.025379	0.012693	0.089214	0.017283	0.018528
5.53...5.57	0	0	0	0.0019712	0.010331	0.011657	0.017808	0.0092521	0.00093729	0	0	0.0018597
5.57...5.61	0	0	0	0	0	0	0	0	0	0.0025794	0	0
5.61...5.65	0.0068886	0.015844	0.00046685	0.045198	0.044082	0.02346	0.0058133	0.023961	0.015867	0	0	0.00015942
5.65...5.68	0	0	0	0	0.00081398	0	0	0	0	0	0.00057695	0.0050008
5.68...5.74	0.0023836	0.0018609	0	0.0051839	0	0	0	0.014875	0	0	0	0.0042112
5.74...5.78	0	0	0	0	0	0	0.0043542	0	0.0023644	0	0.0023334	0
5.78...5.83	0	0.011199	0.0013333	0.042222	0.011209	0.025783	0	0	0	0	0	0.00051016
5.83...5.86	0	0	0.007297	0.018255	0.0089842	0.015909	0.0075037	0.049865	0	0.010251	0	0
5.86...5.92	0.53637	0.73146	0.84165	0.92081	0.83465	0.97683	0.82486	0.91406	0.83809	0.62746	0.79605	0.57176
5.92...5.94	0	0.024465	0.063809	0.06652	0.06685	0.079414	0	0	0	0	0.054066	0
5.94...6.00	0	0.0035656	0.39031	0.66671	0.66256	0.73022	0.040049	0.19361	0.064047	0.24266	0.45056	0.017658
6.00...6.04	0.00083516	0	0.0026304	0.0016245	0.0041946	0	0	0	0	0	0.010327	0
6.04...6.07	0	0	0	0	0	0	0	0	0	0	0	0.0039987
6.07...6.11	1.06	0.70296	0.90639	1.3664	1.3526	1.4573	1.2407	1.4147	1.2385	0.96557	1.0323	0.95183
6.11...6.17	0.79314	0.14918	0.63163	0.90769	0.90519	0.94368	0.36625	0.6353	0.32872	0.66496	0.70412	0.59736
6.17...6.20	0	0	0	0.0039286	0.0131	0.014679	0	0	0	0	0.0069913	0
6.20...6.23	0.018266	0.0058113	0.0026941	0.011246	0	0.015248	0.0047025	0.028561	0	0.010873	0.0028365	0.01415
6.23...6.28	0	0	0	0	0	0	0	0	0.001593	0	0	0
6.28...6.32	0.0052305	0.00055876	0.0099579	0.00068253	0.0028264	0	0.00065162	0	0.00043585	0	0.0026305	0.0088306
6.32...6.38	0	0.019983	0	0	0	0.0032518	0.0015252	0	0	0	0.0025594	0
6.38...6.44	0.0037184	0.0007667	0	0	0.0039412	0	0.00062168	0.0015245	0	0.0011294	0	0
6.44...6.47	0	0	0.0034446	0.00069679	0	0	0	0.0084786	0	0	0.004218	0
6.47...6.53	0.078855	0.046131	0.056545	0.16541	0.14849	0.15243	0.34882	0.25736	0.31719	0.17587	0.04831	0.13595
6.53...6.55	0	0	0	0.0010152	0.0065554	0	0	0	0.0067024	0	0	0
6.55...6.59	0	0.0065763	0.0039289	0	0	0	0	0.011315	0.00080961	0.0016936	0	0.0021775
6.59...6.63	0.002394	0	0	0.003651	0.13683	0.023171	0.0093591	0	0	0	0.0067213	0.0022319
6.63...6.68	0.0021274	0.022891	0	0.0027841	0.16285	0.015678	0	0.0025953	0	0	0	0
6.68...6.71	0.0097138	0	0.0023152	0	0.071115	0	0	0	0	0.0091476	0	0.0082349
6.71...6.73	0	0	0	0.0040422	0.13734	0	0.016234	0.0015448	0	0	0	0
6.73...6.76	0	0.011817	0	0	0.18148	0.0055686	0.0009156	0	0	0.0012107	0	0
6.76...6.81	0.026562	0	0.0019135	0.10018	0.64774	0.21055	0.0062331	0.0096149	0.0031123	0	0.0081703	0.0029902
6.81...6.84	0.0063584	0.0043602	0.0071114	0.0044409	0.42845	0.021099	0	0.0052647	0.010823	0.0044294	0	0.0056921
6.84...6.87	0	0	0	0.0019608	0.27972	0.0084737	0.0041531	0.0028681	0	0.0015257	0.013806	0
6.87...6.92	0.25562	0.32179	0.41383	0.39011	0.78722	0.37403	0.58234	0.5614	0.53279	0.37228	0.4069	0.38161
6.92...6.97	0	0.045404	0	0.0018606	0.50617	0.0047573	0	0	0	0.0083564	0	0
6.97...7.02	0	0	0.00051961	0	0.49047	0	0.0072084	0	0.0023807	0	0	0
7.02...7.07	0	0	0	0	0.41888	0	0	0	0.013819	0	0	0
7.07...7.09	0.10579	0.024491	0.1474	0.15204	0.41822	0.2508	0.20095	0.21071	0.22907	0.13482	0.17614	0.12312
7.09...7.14	0.0065783	0	0	0.014639	0.59542	0.38202	0.0075676	0.004595	0	0.009562	0.0078268	0
7.14...7.16	0	0	0.0098858	0	0.18149	0.14149	0	0	0	0	0	0.0074033
7.16...7.22	1.1364	1.4634	1.0358	0.92137	1.4503	1.4996	1.3252	1.3617	1.2897	0.89599	1.1183	0.94289
7.22...7.28	0.035426	0	0.013205	0.040936	0.37926	0.81346	0.014764	0.0066043	0.0085856	0	0	0.0025424
7.28...7.30	0	0	0	0	0	0.38202	0	0	0.22669	0.034931	0	0.036601
7.30...7.32	0.12117	0.15691	0.20977	0.034444	0.042106	0.85876	0.31865	0.36511	1.0893	0.59446	0.21734	0.63322
7.32...7.32	0.0012216	0.052534	0.034521	0	0	0.12178	0.063338	0.071701	0.22139	0.10741	0.036331	0.13876
7.39...7.44	0.96016	0.93807	0.78571	0.87365	1.6437	0.25582	0.86776	0.88812	0.10131	0.095055	0.5801	0
7.44...7.50	0.57115	0.97429	0.47221	0.34381	1.3202	0.29854	0.65098	0.73803	0.64709	0.46841	0.54258	0.5044
7.50...7.55	0	0.012874	0	0.035919	0.57886	0	0	0	0	0.031757	0	0
7.55...7.60	0.49229	0.27147	0.45953	0.57535	0.90089	0.50736	0.61159	0.62883	0.57033	0.53222	0.48184	0.47885
7.60...7.63	0	0	0.00072021	0	0.19019	0	0	0	0	0.0038461	0	0
7.63...7.69	0.01306	0	0.002264	0.013432	0.31883	0.001939	0.00082733	0	0	0	0.00016225	0.010152
7.69...7.74	0.018476	0	0.007818	0.0084127	0.23266	0.034021	0.0086674	0.0075373	0.006216	0.0079516	0.0063839	0
7.74...7.80	0	0.0089455	0	0	0.12765	0.0040348	0	0	0	0	0	0
7.80...7.83	0	0	0.0067276	0	0.016593	0	0	0	0.0015012	0	0.01034	0
7.83...7.89	0.69456	0.87206	0.82877	0.97358	1.0875	1.0093	0.91317	0.97067	0.94165	0.69659	0.81064	0.73771
7.89...7.92	0	0	0	0	0.081617	0	0	0	0	0	0	0
7.92...7.98	0.10855	0.226	0.41682	0.57587	0.76527	0.58153	0.32306	0.3291	0.36531	0.26366	0.27288	0.23021
7.98...8.01	0.0069484	0	0.033527	0.018919	0.14629	0.023843	0.01188	0.017659	0.0001258	0.015637	0.0085007	0.016287
8.01...8.06	0	0	0	0	0.10249	0	0	0	0	0	0	0
8.06...8.10	0.0067314	0.039894	0.05091	0.11392	0.24944	0.099499	0.028007	0.013814	0.018198	0.031634	0.079238	0.067195
8.10...8.15	0	0	0.0020449	0	0.033465	0	0.000070861	0	0	0.0025473	0	0
8.15...8.19	0.41158	0.26671	0.36699	0.40753	0.40742	0.47229	0.43762	0.38512	0.44811	0.35105	0.34592	0.3814
8.19...8.21	0.23881	0.18474	0.24129	0.2924	0.2999	0.33274	0.37188	0.36414	0.43788	0.2247	0.22841	0.2776
8.21...8.27	1.4248	0.81094	1.3341	1.9491	2.0337	2.0696	1.6671	1.6526	1.7192	1.3556	1.4515	1.3511
8.27...8.29	0.0077102	0	0.011532	0.047141	0.16643	0.041504	0.031004	0.0045514	0.00054667	0.0039269	0.0032576	0.017832
8.29...8.32	0	0.00055547	0	0	0.033952	0.0081714	0	0	0.0040727	0	0	0
8.32...8.38	1.2998	1.3949	1.1405	1.6553	1.7585	1.6978	1.7131	2.0075	1.7027	1.1533	1.2817	1.2288
8.38...8.43	0	0	0	0.000018116	0.178	0	0	0.0035013	0	0	0	0
8.43...8.49	0.0011288	0.0077902	0.015739	0	0.23309	0	0	0	0	0.013567	0.054397	0.0060361
8.49...8.55	0.18504	0	0.2885	0.264	0.47616	0.23128	0.012945	0	0.018076	0.19406	0.23219	0
8.55...8.59	0.36772	0.11331	0.35237	0.45903	0.55983	0.46169	0.20606	0.16241	0.18612	0.39722	0.39622	0.26256
8.59...8.63	0	0	0.00037897	0	0.10155	0	0	0	0	0	0	0
8.63...8.66	0.00069299	0	0	0.0090533	0.031587	0.0038195	0.0060136	0	0	0.002396	0.0068995	0.002728
8.66...8.69	0.00012562	0	0.0067558	0	0.020044	0	0	0	0.020258	0.012036	0	0
8.69...8.74	0.39921	0.22304	0.37934	0.49535	0.49411	0.49878	0.46099	0.47463	0.48665	0.40679	0.39574	0.3977
8.74...8.77	0.0061077	0.0040605	0	0	0	0.0068656	0	0	0	0	0	0
8.77...8.80	0	0	0.0078256	0.0012886	0	0	0	0.006259	0	0	0.013482	0.00023336
8.80...8.86	0.0079014	0.0020402	0	0.00021048	0.016609	0	0.015432	0	0	0.0033951	0	0
8.86...8.88	0	0	0.0096608	0.0048262	0	0.0050145	0	0.0092432	0.005705	0.0036866	0.000029454	0
8.88...8.91	0.0066889	0	0	0	0	0	0.0029555	0	0.011857	0.0003057	0	0.0069119
8.91...8.97	0.30058	0.24858	0.31301	0.37916	0.34966	0.39445	0.31831	0.30479	0.3903	0.316	0.26631	0.26786
8.97...9.00	0	0	0.0024359	0.0036081	0	0.0017663	0	0	0	0	0	0.0086158
9.00...9.00	0	0.011022	0	0	0	0	0	0	0.0015454	0.0014547	0	0
NMR_BINNED_DATA_END
#END