#METABOLOMICS WORKBENCH wpathmasiri_20140314_9548041_mwtab.txt DATATRACK_ID:66 TEXT OUTPUT STUDY_ID:ST000034 ANALYSIS_ID:AN000054 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(NOD-Serum)
ST:STUDY_TYPE                    	Metabolomics
ST:STUDY_SUMMARY                 	In the NOD sub-study, a total of 18 samples from 6 week old, male NOD/ShiLtj
ST:STUDY_SUMMARY                 	mice; comprised of 6 serum samples, 6 cecal content samples and 6 liver tissue
ST:STUDY_SUMMARY                 	samples were analyzed.  Three mice/matrix were exposed to PAT and 3 mice/matrix
ST:STUDY_SUMMARY                 	were non-exposed Controls. The mice were housed with SPF (Helicobacter neg/MNV
ST:STUDY_SUMMARY                 	neg) bedding and fed a normal 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                	NOD_Serum Study
ST:PHONE                         	-
ST:ADDRESS                       	-
#SUBJECT
SU:SUBJECT_TYPE                  	Animal
SU:SUBJECT_SPECIES               	Mus musculus
SU:TAXONOMY_ID                   	10090
SU:GENOTYPE_STRAIN               	NOD/ShiLtj
SU:GENDER                        	Male
SU:ANIMAL_ANIMAL_SUPPLIER        	Jackson Laboratories
SU:ANIMAL_HOUSING                	SPF (Helicobacter neg / MNV neg)
SU:ANIMAL_FEED                   	normal chow
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           	-	SNC111	Treatment Group:Control	
SUBJECT_SAMPLE_FACTORS           	-	SNC140	Treatment Group:Control	
SUBJECT_SAMPLE_FACTORS           	-	SNC141	Treatment Group:Control	
SUBJECT_SAMPLE_FACTORS           	-	SNP124	Treatment Group:PAT	
SUBJECT_SAMPLE_FACTORS           	-	SNP126	Treatment Group:PAT	
SUBJECT_SAMPLE_FACTORS           	-	SNP127	Treatment Group:PAT	
SUBJECT_SAMPLE_FACTORS           	-	SPL101	Treatment Group:Pool QC	
SUBJECT_SAMPLE_FACTORS           	-	SPL102	Treatment Group:Pool QC	
SUBJECT_SAMPLE_FACTORS           	-	SPL103	Treatment Group:Pool QC	
SUBJECT_SAMPLE_FACTORS           	-	SPL201	Treatment Group:Pool QC	
SUBJECT_SAMPLE_FACTORS           	-	SPL202	Treatment Group:Pool QC	
SUBJECT_SAMPLE_FACTORS           	-	SPL203	Treatment Group:Pool QC	
#COLLECTION
CO:SAMPLE_TYPE                   	blood
CO:COLLECTION_TIME               	6 weeks
CO:BLOOD_SERUM_OR_PLASMA         	serum
CO:COLLECTION_SUMMARY            	-
#TREATMENT
TR:TREATMENT_SUMMARY             	Three mice were exposed to PAT and 3 mice were non-exposed controls. PAT=
TR:TREATMENT_SUMMARY             	therapeutic dose-pulsed antibiotic treatment.
TR:TREATMENT_COMPOUND            	PAT
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	Frozen serum study samples were thawed on ice and vortexed for 30 seconds.
SP:SAMPLEPREP_SUMMARY            	Aliquots of 50/100 µL (sub-study dependent) were transferred into BSI-labeled
SP:SAMPLEPREP_SUMMARY            	eppendorf tubes. Purchased mouse sera (Sigma #S7273) was also transferred into
SP:SAMPLEPREP_SUMMARY            	three BSI-labeled eppendorf tubes (50/100 µL) for QC samples during analysis.
SP:SAMPLEPREP_SUMMARY            	Freshly prepared 0.9% Saline (wt/v) solution in 10% D2O, was added to each tube
SP:SAMPLEPREP_SUMMARY            	(150/100 µL) and they were vortexed for 30 seconds. Freshly prepared 10 mM
SP:SAMPLEPREP_SUMMARY            	Formate solution containing 2% (wt/v) NaN3 was added to each tube (50 µL) to
SP:SAMPLEPREP_SUMMARY            	serve as internal standard and they were vortexed for 30 seconds again, then
SP:SAMPLEPREP_SUMMARY            	centrifuged at 12000 rcf for 5 minutes at 4 °C. A 200 µL aliquot of the
SP:SAMPLEPREP_SUMMARY            	supernatant was transferred into 3 mm NMR tubes (Bruker-Biospin, Germany), which
SP:SAMPLEPREP_SUMMARY            	were kept on ice until data acquisition.
SP:SAMPLEPREP_PROTOCOL_FILENAME  	NOD_Serum_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        	1.0 mM
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                	cpmgpr1d
NM:WATER_SUPPRESSION             	presat
NM:PULSE_WIDTH                   	14.84 us
NM:POWER_LEVEL                   	25.704w
NM:RECEIVER_GAIN                 	4.5
NM:OFFSET_FREQUENCY              	3300.70 Hz
NM:CHEMICAL_SHIFT_REF_CPD        	Formate
NM:TEMPERATURE                   	298.1 K
NM:NUMBER_OF_SCANS               	512
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        	Formate
NM:INSTRUMENT_NAME               	Bruker Avance III
#NMR_BINNED_DATA
NMR_BINNED_DATA:UNITS           	Peak area
NMR_BINNED_DATA_START
Bin range(ppm)	SNC111	SNC140	SNC141	SNP124	SNP126	SNP127	SPL101	SPL102	SPL103	SPL201	SPL202	SPL203
0.50...0.56	0	0.0011182	0	0	0	0.0027568	0	0.013812	0
0.56...0.61	0	0	0.002357	0	0.034944	0	0	0.011242	0.013279
0.61...0.63	0.008565	0	0	0	0	0.020655	0.052398	0.0030358	0
0.63...0.67	0	0	0.0028491	0	0.021224	0	0	0	0.00018778
0.67...0.71	0.038504	0.01898	0.0054951	0.0044363	0.023886	0.060553	0	0.0074007	0.0090387
0.71...0.73	0.024208	0.0050476	0.046451	0	0	0	0	0.0001336	0
0.73...0.76	0.76891	0.80666	0.55215	0	0.027606	0.31817	0.072418	0.019712	0
0.76...0.78	0.35946	0.57182	0.27763	0	0	0	0	0	0
0.78...0.80	0.63736	0.93728	0.42709	0.95548	0	0.030788	0	0.10407	0.124
0.80...0.82	2.852	3.1864	2.5703	5.9727	1.3284	1.4379	0.91928	0.84342	1.036
0.82...0.86	42.537	35.325	35.309	40.219	42.671	39.77	9.223	8.9446	9.2747
0.86...0.91	35.279	31.181	32.65	45.98	49.595	53.679	16.11	16.828	16.252
0.91...0.97	24.03	20.23	22.911	22.213	28.65	26.604	27.661	26.533	26.308
0.97...1.02	8.3718	6.2902	7.7059	5.5048	9.2482	8.4563	9.7196	10.779	9.6784
1.02...1.08	5.1717	4.5085	4.2474	5.2751	5.4511	5.535	6.9052	7.2156	7.0435
1.08...1.10	0.30834	0.55362	0	2.1395	0.063544	0.06908	0	0	0.15301
1.10...1.12	0.41732	0.81227	0	3.3239	0	0.18482	0.041436	0	0.059622
1.12...1.15	0.86055	1.6322	0	8.7796	0	0.16897	11.404	10.348	11.867
1.15...1.21	35.696	55.682	35.022	94.157	81.578	57.748	55.191	50.973	51.838
1.21...1.23	10.559	9.0586	8.0485	18.079	9.4127	9.968	3.5977	3.7422	3.5221
1.23...1.25	18.21	15.95	14.571	30.648	19.163	18.835	5.5365	5.3172	5.5074
1.25...1.31	116.25	107.4	106.06	193.65	164.02	183.6	38.813	36.711	38.842
1.31...1.37	112.62	112.03	113.99	91.198	112.03	112.17	267.82	262.58	255.62
1.37...1.42	5.2011	0.98844	2.4016	1.0511	1.5279	6.0166	7.1094	16.059	8.8874
1.42...1.45	2.0068	0.62402	0.77241	0	0	2.1243	2.2972	5.5518	3.6979
1.45...1.51	6.3727	4.0768	3.7795	1.359	2.3994	5.8775	23.768	28.597	25.886
1.51...1.53	0.9817	0.32414	0	0.43055	0	1.1946	0.3263	3.1626	2.1843
1.53...1.59	10.067	8.4776	6.9551	14.552	13.782	18.614	1.241	7.7446	6.6679
1.59...1.62	1.5133	0.66583	0.13869	0.73359	1.102	2.2079	0.11973	2.9487	3.4927
1.62...1.65	1.6133	0.92723	0	0	0	1.7501	0	2.0313	2.661
1.65...1.69	2.1767	1.5015	0.43889	0.17529	0.76479	2.0924	1.5492	2.639	2.6803
1.69...1.74	5.2284	4.0819	2.704	2.2802	4.3455	4.8853	9.2197	9.943	10.253
1.74...1.77	0.89327	0.54587	0	0	0.64324	0.71854	5.5106	5.7415	6.6035
1.77...1.79	0.096242	0	0	0	0	0	0	0.25574	0.31259
1.79...1.83	0.78531	0.098384	0.1639	0.065034	0.23128	0.10546	0.47151	0.69081	0.9385
1.83...1.85	0.48284	0	0	0	0	0	0.45375	0.46473	0.76816
1.85...1.87	0.54375	0	0	0	0	0	0.73246	0.62235	0.93719
1.87...1.90	2.0754	1.2889	1.2624	0.34009	1.272	1.2046	4.2119	2.1077	3.1868
1.90...1.94	3.33	3.5385	3.7316	1.0414	3.1482	3.8339	59.631	54.65	54.336
1.94...1.96	0.87338	0.84733	0.78327	0.46417	1.1387	0.9565	1.9345	2.9605	2.1706
1.96...1.98	2.1313	2.1568	2.0401	2.5476	2.3873	2.2938	2.2884	2.7991	2.5594
1.98...2.02	17.367	15.212	15.332	20.41	20.77	21.314	9.5933	9.7759	9.7714
2.02...2.07	21.325	18.195	19.067	27.531	30.327	31.321	13.441	14.174	14.308
2.07...2.11	7.58	5.0082	5.6233	5.3565	6.082	5.5688	7.3135	7.4238	7.6475
2.11...2.17	6.8444	7.5241	9.0366	3.2665	6.6025	5.3829	7.2631	7.6328	8.1895
2.17...2.19	0.61589	0.54685	0.64768	0.59925	0.83491	0.72738	0.83259	1.0015	1.4644
2.19...2.21	1.3069	1.0841	1.0088	2.5085	1.084	1.3988	0.70543	0.8724	1.3616
2.21...2.27	12.503	11.383	11.714	19.836	19.588	21.712	9.3034	9.3008	11.298
2.27...2.32	8.1346	8.5958	9.6769	13.33	12.203	14.417	4.4797	4.4955	5.5674
2.32...2.38	4.3045	4.312	4.7152	3.6645	4.6339	4.1801	7.7471	7.1997	8.1623
2.38...2.43	10.067	12.148	13.599	11.534	9.0216	11.924	11.638	10.191	11.319
2.43...2.48	4.6492	4.4362	5.9415	2.3134	3.5612	2.8225	0	0.034899	2.0789
2.48...2.50	0.090827	0.21383	0.3054	0	0.039647	0.080701	0.14952	0.083498	0.42144
2.50...2.56	1.8507	2.5166	2.5615	1.0587	1.5622	1.4911	0.27932	0.11323	0.30463
2.56...2.59	0	0.068257	0.11293	0	0.024514	0	0.0074385	0	0
2.59...2.61	0	0	0	0	0	0.0045621	0	0.029576	0
2.61...2.64	0.37693	0.43675	0.44413	0	0.18597	0.28837	0.38639	0.62604	0.78018
2.64...2.66	0.22464	0.34036	0.38863	0	0.15683	0.27298	0.055825	0.40261	0.49162
2.66...2.68	1.388	1.4752	1.348	1.1893	1.1138	1.3162	0.16657	0.66994	0.66027
2.68...2.72	4.6943	4.0226	3.9504	7.3541	4.202	4.3391	0.55125	1.6899	1.8901
2.72...2.76	12.994	11.187	11.124	23.862	16.088	17.294	0.076459	2.2032	2.3857
2.76...2.80	11.383	10.344	10.106	19.895	15.656	15.627	0.36039	2.3508	2.3826
2.80...2.85	5.3168	6.0464	6.033	11.395	9.7265	9.8769	0	0.53229	0.54384
2.85...2.87	0.037751	0.01773	0.036633	0.23303	0	0.21988	0.33793	0.36646	0.52187
2.87...2.93	2.2324	2.2349	2.2504	0.098929	1.2795	2.8657	2.8976	2.9133	3.234
2.93...2.95	0.55968	0.57841	0.53689	0	0	0.87836	0.36011	0.38714	0.49392
2.95...2.98	1.4248	1.5812	1.5368	0.0032824	0	1.8069	1.3443	1.2232	1.4038
2.98...3.00	2.1578	1.9741	2.0208	0.055004	0.2897	2.1919	2.1325	1.9008	2.0385
3.00...3.06	6.733	6.0521	6.6036	1.4011	4.6997	6.9283	16.278	15.563	15.969
3.06...3.08	0.60376	0.1094	0	0	0	0.17368	0.49478	0.88308	0.64582
3.08...3.12	0.68769	0.6578	0.39234	0.1681	0.14138	0.64352	1.232	1.33	1.3708
3.12...3.16	1.2448	1.4529	1.0862	0.025459	0.61025	1.0193	5.1069	4.8953	5.1696
3.16...3.18	0.93637	0.75288	0.41653	1.7433	0.17935	0.63264	0.48687	0.32041	0.67757
3.18...3.24	48.389	45.687	48.599	45.287	42.026	38.82	19.739	17.294	19.018
3.24...3.29	25.46	28.532	32.058	10.009	17.95	14.876	76.989	73.221	72.477
3.29...3.34	1.055	0.5697	0.42494	0	0.072242	0.26322	0.90508	2.798	1.1103
3.34...3.37	1.9343	2.9768	1.4508	2.6123	4.5143	2.0011	0.78888	1.5774	1.0953
3.37...3.43	38.165	42.26	45.254	9.9433	16.866	14.577	6.4132	7.0067	6.4214
3.43...3.48	26.278	30.144	32.145	4.4319	8.8117	7.4986	0	0.25743	0.012907
3.48...3.51	13.781	15.583	16.898	2.1075	4.594	3.8104	0	0.078212	0
3.51...3.53	6.2057	7.2169	7.7492	3.0985	2.6186	2.439	3.1864	2.6425	3.0596
3.53...3.59	18.528	20.012	21.918	17.142	15.502	13.693	23.24	21.798	21.127
3.59...3.63	4.9841	4.9431	5.3795	6.975	5.3063	5.0108	7.0065	6.9023	6.7522
3.63...3.69	21.321	30.406	22.172	38.624	43.009	25.298	44.729	41.25	39.972
3.69...3.74	37.418	38.238	41.306	12.966	15.786	13.065	8.3096	8.8801	8.4703
3.74...3.80	23.419	26.526	29.301	13.055	16.92	14.644	16.311	16.499	16.298
3.80...3.85	28.5	30.977	33.768	9.2124	13.648	11.452	7.1176	7.492	7.5472
3.85...3.88	3.4348	3.3518	3.8485	3.7482	3.6092	3.3195	2.678	2.955	3.213
3.88...3.93	32.806	35.066	38.134	15.426	21.558	17.223	26.812	22.654	23.556
3.93...3.99	6.1732	6.0852	6.9452	4.2079	6.7398	5.4183	6.4838	5.9852	6.7969
3.99...4.02	0.8209	1.1324	1.0489	0.037695	1.2641	1.0023	2.0332	1.5376	2.1317
4.02...4.04	0.15343	0.20714	0.060867	0	0.13077	0.39302	0.60666	0.18656	0.71988
4.04...4.09	2.4796	2.7892	2.6652	4.3288	3.595	4.8148	4.1363	2.1789	3.7605
4.09...4.15	23.771	25.32	25.63	17.243	20.093	19.915	56.09	49.797	50.904
4.15...4.19	1.7361	1.6144	1.921	2.6252	1.8769	3.235	0	0.34944	0.02325
4.19...4.21	0.22545	0	0	0	0.060784	0.38073	0	0	0.037526
4.21...4.23	0.60258	0.11553	0.056776	0.023894	0	0.39436	0.1181	0.086765	0.13318
4.23...4.29	3.2529	3.044	2.9134	2.9959	0.58889	5.7511	0.44198	0.40205	0.60575
4.29...4.35	2.5815	2.7905	2.9297	0.61453	0	2.8694	0.030605	0.029518	0.13309
4.35...4.40	1.446	1.368	1.3133	0	0.030007	1.2877	0	0	0.0077855
4.40...4.42	0.082254	0.10983	0.06211	0	0	0.059601	0.019721	0	0
4.42...4.48	0	0	0	0	0	0	0.0057078	0.020191	0.018123
4.48...4.52	0	0.21647	0.1154	0	0	0	0.01525	0	0
4.52...4.55	0	0.023503	0.0031985	0	0	0	0	0	0
4.55...4.61	0.014641	0	0	0	0	0	0	0.018653	0.0090752
4.61...4.67	10.93	12.338	13.205	0	3.7629	2.7637	0	0.0082328	0.015217
4.67...4.69	0.021878	0.078533	0.060247	0	0.040627	0	0	0	0
4.69...4.70	0	0	0	0	0.010787	0	0	0	0.0026202
6.35...6.38	0.0014693	0	0.0081812	0	0.00095413	0.0073681	0	0.0088297	0.0071859
6.38...6.43	0.0023701	0.0041129	0	0	0.028782	0	0	0.0093653	0.010049
6.43...6.47	0.0024298	0.0067304	0.01272	0.016998	0.0091749	0.008499	0	0.007137	0
6.47...6.50	0	0	0	0.092585	0	0	0.023397	0.0036839	0.016784
6.50...6.52	0	0	0.000049186	0	0.038727	0.023015	0.0072841	0.028868	0.0060479
6.52...6.56	0.018288	0.0046878	0	0	0	0	0	0.012142	0.0059834
6.56...6.62	0	0	0	0	0	0	0.018141	0	0
6.62...6.68	0.014145	0.0093441	0	0	0	0.01323	0	0	0
6.68...6.72	0	0.00040469	0	0	0.0026538	0	0.010957	0	0.0047317
6.72...6.76	0.0011045	0	0.011061	0.0039601	0.045227	0	0	0	0.010354
6.76...6.79	0	0	0	0	0	0	0.0064989	0.00041873	0
6.79...6.84	0	0	0	0.013055	0	0	0.056098	0.027778	0.040436
6.84...6.87	0.0019603	0.031291	0.046692	0	0.00064312	0.071227	0	0	0
6.87...6.93	0.46283	0.49095	0.45784	0.060023	0.25726	0.30498	1.0782	0.93295	1.0555
6.93...6.98	0.0080317	0	0	0	0.01287	0	0.12297	0.13913	0.10568
6.98...7.02	0	0.036453	0.063215	0	0.025215	0.025895	0	0	0
7.02...7.06	0.14858	0.076602	0.15704	0.16873	0.014765	0.053801	0.015224	0.033524	0.32165
7.06...7.10	0	0	0	0	0	0	0.0045782	0.0032457	0
7.10...7.16	0	0	0	0	0.0018571	0	0	0	0.01806
7.16...7.21	0.25925	0.58333	0.38762	0.03419	0.34743	0.20181	1.4117	1.168	1.2193
7.21...7.24	0	0	0	0	0	0	0	0	0
7.24...7.29	0.049246	0.018338	0.00072855	0	0.065687	0.014553	0.020515	0.035414	0.027078
7.29...7.35	0.63048	0.72905	0.98941	0.54548	0.70682	0.82169	1.8042	1.4384	1.443
7.35...7.39	0	0.30349	0.31208	0	0.10575	0.16137	0.6216	0.54569	0.56325
7.39...7.44	0.095999	0.60809	0.64099	0.12952	0.2925	0.4527	1.0467	0.7193	0.88263
7.44...7.49	0.471	0	0	0	0	0	0	0	0
7.49...7.51	0	0.012583	0	0	0.021069	0	0	0.0065044	0
7.51...7.56	0.00516	0.00029642	0.087531	0	0	0.0016476	0.11658	0	0.26343
7.56...7.60	0.0053531	0	0	0.0069566	0.0023866	0.009445	0	0	0.00081606
7.60...7.65	0.557	0	0.0039939	0.021336	0	0	0	0.010482	0
7.65...7.69	0	0.007476	0.0063463	0	0	0	0.097269	0.032235	0.031105
7.69...7.71	0	0	0	0	0.0055991	0	0	0	0
7.71...7.76	0.073423	0.11378	0	0.046931	0.031184	0.1161	0.041904	0.17647	0.28201
7.76...7.78	0	0.12397	0.13769	0	0.0030313	0	0.049091	0	0.04018
7.78...7.82	0.0214	0.055984	0.0080474	0	0	0.0045863	0	0	0.042567
7.82...7.88	0.051815	0.10209	0.058156	0	0.037154	0.063056	0	0.017699	0
7.88...7.93	0	0	0	0.017023	0	0	0	0	0
7.93...7.95	0	0	0.0062334	0	0	0.019262	0.03652	0	0.04092
7.95...7.99	0.0016958	0	0	0	0	0	0.00058049	0	0
7.99...8.02	0	0.011377	0.013539	0.0022203	0.032329	0	0	0.011987	0.0026038
8.02...8.05	0	0	0	0	0	0.014067	0.0062495	0	0.033303
8.05...8.09	0.012832	0	0.0053753	0.038508	0	0	0.014925	0.0055615	0
8.09...8.13	0	0.010517	0	0	0.010957	0.012131	0	0	0
8.13...8.16	0.0079669	0	0	0.011256	0.021374	0.0061488	0	0	0.0029378
8.16...8.21	0.0040695	0.0068006	0	0	0	0	0.029031	0.015321	0
8.21...8.26	0.0014771	0.027127	0	0.013793	0.012799	0	0.0066633	0.019275	0.0018527
8.26...8.29	0	0	0.0055462	0	0	0	0	0	0
8.29...8.31	0.021955	0.026689	0.020821	0.0016496	0.032633	0.013285	0.05242	0.065888	0.05535
8.31...8.34	0	0	0	0	0	0	0	0	0
8.34...8.39	0.0037551	0	0	0.013426	0.0163	0.0077709	0	0	0.012606
8.39...8.40	0.018416	0	0.00050092	0	0.0032146	0	0	0	0
8.50...8.54	0	0	0	0	0	0.0064301	0.019226	0	0
8.54...8.58	0	0	0	0	0	0	0	0	0
8.58...8.60	0.028143	0.02696	0.012361	0	0.038164	0.012	0.085818	0.02526	0.055657
8.60...8.66	0	0	0.009964	0	0	0.0022475	0	0.0057742	0
8.66...8.70	0.016668	0	0	0.030249	0.02495	0	0.0024377	0	0
8.70...8.76	0	0	0.0090152	0.015006	0	0	0.00066347	0.01371	0
8.76...8.81	0	0	0	0	0.010892	0.0096298	0.0065436	0	0.023499
8.81...8.86	0.0079962	0	0	0	0	0	0	0.023869	0
8.86...8.88	0.009054	0.0063328	0	0.021971	0	0	0	0	0
8.88...8.92	0	0	0	0	0.014215	0	0.0091892	0	0.0072036
8.92...8.96	0	0.002287	0.0050799	0.0074664	0.0086825	0.0042455	0.0048859	0.021527	0
8.96...9.00	0.013132	0	0	0	0	0.0061672	0.010657	0	0.0089101
9.00...9.00	0	0.002062	0	0.0027909	0.013412	0	0.0083342	0	0
NMR_BINNED_DATA_END
#END