#METABOLOMICS WORKBENCH wpathmasiri_20140314_9895351_mwtab.txt DATATRACK_ID:58 TEXT OUTPUT STUDY_ID:ST000026 ANALYSIS_ID:AN000046 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-Cecal)
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_Cecal
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           	-	CDC029	Treatment Group:Control	
SUBJECT_SAMPLE_FACTORS           	-	CDC030	Treatment Group:Control	
SUBJECT_SAMPLE_FACTORS           	-	CDC032	Treatment Group:Control	
SUBJECT_SAMPLE_FACTORS           	-	CPL101	Treatment Group:Pool QC	
SUBJECT_SAMPLE_FACTORS           	-	CPL102	Treatment Group:Pool QC	
SUBJECT_SAMPLE_FACTORS           	-	CPL103	Treatment Group:Pool QC	
SUBJECT_SAMPLE_FACTORS           	-	CPL201	Treatment Group:Pool QC	
SUBJECT_SAMPLE_FACTORS           	-	CPL202	Treatment Group:Pool QC	
SUBJECT_SAMPLE_FACTORS           	-	CPL203	Treatment Group:Pool QC	
SUBJECT_SAMPLE_FACTORS           	-	CDS039	Treatment Group:STAT	
SUBJECT_SAMPLE_FACTORS           	-	CDS052	Treatment Group:STAT	
SUBJECT_SAMPLE_FACTORS           	-	CDS054	Treatment Group:STAT	
#COLLECTION
CO:SAMPLE_TYPE                   	cecal contents
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 cecal contents (cecal) samples were weighed into labeled homogenizer bead
SP:SAMPLEPREP_SUMMARY            	tubes.  D20 was added to each tube (500 µL if less than 50 mg and 1000 µL if
SP:SAMPLEPREP_SUMMARY            	more than 100 mg of tissue).  The samples were homogenized on a Spex
SP:SAMPLEPREP_SUMMARY            	Geno/Grinder for two 30 second pulses at 1750 rpm.  Samples were centrifuged at
SP:SAMPLEPREP_SUMMARY            	12000 rcf for 5 min.  Cecal supernatants were transferred (450/700 µL) into 2.0
SP:SAMPLEPREP_SUMMARY            	mL 0.2 µm nylon filter tubes and centrifuged at 16000 rcf until all the
SP:SAMPLEPREP_SUMMARY            	homogenate was filtered.  The 200 µL remaining aliquot from each 1000 µL cecal
SP:SAMPLEPREP_SUMMARY            	sample was combined in a 10 mL tube and vortexed for 30 seconds to generate
SP:SAMPLEPREP_SUMMARY            	pooled samples for QC during analysis. Three “low” QC pools were generated by
SP:SAMPLEPREP_SUMMARY            	transferring 450 µL of the pooled homogenate into 2.0 mL 0.2 µm nylon filter
SP:SAMPLEPREP_SUMMARY            	tubes; and three “high” QC pools were generated by transferring 700 µL of the
SP:SAMPLEPREP_SUMMARY            	pooled homogenate into 2.0 mL 0.2 µm nylon filter tubes and also centrifuged at
SP:SAMPLEPREP_SUMMARY            	16000 rcf until all the homogenate was filtered. The volume of homogenate needed
SP:SAMPLEPREP_SUMMARY            	to analyze 50 mg/sample and volume of D20 needed to bring the total volume to
SP:SAMPLEPREP_SUMMARY            	630 µL was calculated.  The calculated volumes of filtered supernatant and D20
SP:SAMPLEPREP_SUMMARY            	were then transferred into BSI-labeled tubes. Chenomx Internal Standard solution
SP:SAMPLEPREP_SUMMARY            	(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) to the tubes.  Samples were vortexed for 30 seconds and
SP:SAMPLEPREP_SUMMARY            	centrifuged at 12000 rcf for 5 minutes.  A 600 µL aliquot of the supernatant
SP:SAMPLEPREP_SUMMARY            	was then transferred into 5mm NMR tubes (Wilmad LabGlass, New Jersey, USA) which
SP:SAMPLEPREP_SUMMARY            	were kept on ice until data acquisition.
SP:SAMPLEPREP_PROTOCOL_FILENAME  	DuraSTAT_Cecal_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
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                 	9
NM:OFFSET_FREQUENCY              	3296 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)	CDC029	CDC030	CDC032	CPL101	CPL102	CPL103	CPL201	CPL202	CPL203	CDS039	CDS052	CDS054
0.50...0.56	0.00058149	1.6592	0.039301	0	0	0	0.034018	0.0028746	0.0021478	0.013387	0	0
0.56...0.58	0	0.74267	0	0.007206	0	0	0	0	0	0	0	0.0069721
0.58...0.60	0.051165	0.8258	0.089149	0.060972	0.026307	0.045697	0.069541	0	0	0.14516	0.057489	0.042255
0.60...0.65	15.771	10.861	24.633	5.7879	6.6108	6.5931	18.558	13.278	11.576	16.931	12.49	11.39
0.65...0.67	5.4398	3.9547	1.5004	1.0787	1.139	1.1162	0.89154	0.96156	1.1492	6.3879	0.75423	0.42422
0.67...0.73	9.3184	7.7766	3.9113	4.189	4.5693	4.4516	3.8594	3.756	4.3738	11.257	18.352	8.4482
0.73...0.76	0.93826	2.0689	0.045885	0.91323	0.89114	0.88214	0.14137	0.060038	0.22477	2.0752	0.99317	0.90168
0.76...0.78	0.56662	1.4675	0	0.56905	0.58636	0.56519	0	0	0	1.2043	0.50051	0.65229
0.78...0.80	1.1312	1.825	0	0.79163	0.80936	0.8386	0	0	0.01185	1.9406	0.71462	0.93165
0.80...0.82	1.3966	2.1273	0.085969	1.0437	1.1474	1.1011	0.060788	0.16069	0.14051	2.5491	1.231	1.5736
0.82...0.84	2.8253	3.1284	1.1065	1.5676	1.7775	1.7097	1.0449	0.92861	0.84008	3.838	2.4358	3.0993
0.84...0.90	34.974	30.485	14.352	15.274	17.848	16.936	18.255	16.158	16.966	25.502	17.592	22.341
0.90...0.92	11.828	10.11	5.4776	7.1873	7.2929	8.0632	7.5669	6.8666	6.9677	7.8651	10.718	12.564
0.92...0.98	68.285	67.389	33.7	59.048	62.212	65.748	61.028	63.459	61.792	48.212	62.082	67.912
0.98...1.01	13.256	16.9	6.616	17.278	18.067	18.927	15.597	17.689	17.409	8.748	12.027	15.047
1.01...1.07	26.093	22.685	19.112	20.954	22.268	22.808	19.635	22.079	22.08	25.449	29.555	21.061
1.07...1.10	3.8684	3.2427	0	2.0017	1.9742	1.9108	0.43727	1.0207	1.4529	5.0585	4.3153	2.0636
1.10...1.13	4.0913	3.7021	0	2.2169	2.3213	2.2009	1.0233	1.3747	1.5527	5.2247	4.4628	2.4291
1.13...1.15	1.7266	1.8724	0	1.5016	1.5172	1.5229	0.86333	0.8683	0.65598	2.4102	1.8346	1.3856
1.15...1.20	11.516	9.5311	8.0545	45.91	52.272	49.927	49.11	50.533	51.36	20.12	14.265	12.739
1.20...1.22	3.5966	3.3957	0.76001	2.1992	2.4287	2.1514	1.751	1.9746	2.4669	3.9235	4.1818	4.2851
1.22...1.24	5.106	5.1745	1.5714	3.282	4.4194	3.4856	3.3507	3.6433	3.7195	6.3087	4.4038	4.1856
1.24...1.30	38.63	31.022	14.055	14.068	23.11	15.454	24.217	21.908	21.77	51.464	24.682	17.751
1.30...1.36	41.921	35.08	61.018	25.543	29.145	28.006	32.515	31.591	32.007	50.255	32.529	31.002
1.36...1.38	4.91	3.871	1.6441	2.4576	2.5193	2.4629	2.2667	2.3226	2.8483	5.278	6.555	5.2456
1.38...1.40	7.8734	5.9667	2.8057	3.7121	3.7669	3.8316	3.6748	3.5114	4.0865	7.6541	10.344	9.1213
1.40...1.44	12.485	10.121	4.6776	7.2821	7.4859	7.7496	7.335	7.3447	7.549	10.947	13.289	11.193
1.44...1.49	33.114	31.626	26.932	29.908	31.309	32.539	30.229	32.842	31.42	26.618	28.805	32.133
1.49...1.55	19.299	16.865	5.8918	11.104	11.426	11.524	12.12	11.95	12.799	16.509	9.7406	10.194
1.55...1.57	7.226	6.727	2.4179	3.6504	4.182	3.7252	4.3782	4.1718	4.5286	6.8498	2.977	2.8131
1.57...1.59	7.8153	6.4214	3.706	4.0501	4.2412	4.1484	5.4998	4.6995	5.0774	8.3886	7.2898	6.381
1.59...1.61	5.1756	4.189	4.8169	2.9303	2.8309	2.9316	3.1357	2.9027	3.1759	5.0884	5.8688	4.6246
1.61...1.64	7.6716	6.2954	11.969	4.5903	4.5751	4.7568	4.7692	4.5573	4.842	7.1449	7.2534	6.86
1.64...1.67	10.036	9.1539	15.407	7.4504	7.4988	7.8348	7.6394	7.4175	7.7094	8.3316	12.512	12.401
1.67...1.69	7.8821	8.0141	6.7074	6.9342	6.9981	7.4547	6.8921	6.9434	6.8307	6.3305	9.1701	9.9984
1.69...1.74	34.392	32.589	16.676	28.743	29.842	31.179	30.646	31.524	30.547	23.49	34.466	35.552
1.74...1.80	25.726	17.752	24.673	12.779	13.226	13.149	24.268	19.618	19.256	29.034	28	21.622
1.80...1.83	6.1793	5.3448	0	3.7693	3.5237	3.5609	3.1281	3.1981	3.5875	7.0846	7.1785	5.3548
1.83...1.87	8.9373	7.9126	1.0439	5.4535	5.4092	5.5	5.0217	5.0422	5.0921	10.298	8.4719	6.778
1.87...1.93	75.097	56.146	39.933	41.748	45.084	45.067	46.173	47.126	46.772	55.37	35.054	37.933
1.93...1.95	3.407	3.3027	0.25242	2.9725	2.6968	2.7595	2.3536	2.557	3.1877	3.638	3.6908	4.0652
1.95...1.97	3.4621	3.9463	0.19453	3.5928	3.4716	3.5579	3.0754	3.1813	3.5433	3.5983	3.8284	4.3841
1.97...1.99	4.3639	4.9261	1.2128	4.7702	5.002	4.866	4.4033	4.6365	4.7242	4.5641	5.713	6.6736
1.99...2.01	7.3346	7.0046	3.954	6.25	6.9575	6.5193	6.3111	6.5967	6.5956	8.7553	12.451	11.916
2.01...2.06	25.401	25.502	26.971	26.474	28.601	28.327	28.382	27.775	28.844	29.206	37.557	37.116
2.06...2.09	6.1482	5.7792	2.6332	5.8176	5.6186	5.7653	5.684	5.5623	6.1472	6.0223	11.472	10.625
2.09...2.15	33.266	33.848	27.132	29.243	30.53	31.24	30.567	31.095	31.76	26.089	26.985	28.712
2.15...2.18	11.236	9.1409	8.8474	7.8854	7.7891	7.8591	9.11	8.4063	9.3809	11.619	7.2709	6.883
2.18...2.24	12.608	11.204	19.841	9.0872	9.1772	8.5747	9.0389	8.9431	10.039	15.46	15.591	11.918
2.24...2.30	9.3708	10.654	5.979	9.0593	8.2042	8.5318	9.5463	8.6307	9.5588	8.1923	9.5468	10.878
2.30...2.32	2.1694	2.9059	1.557	2.5652	2.1929	2.2784	2.2618	2.1662	2.3089	2.1166	2.5411	3.0158
2.32...2.37	17.207	20.252	24.396	21.991	23.071	23.183	21.927	22.835	23.314	19.681	17.594	20.168
2.37...2.41	3.5633	3.6641	3.9336	3.206	2.3246	2.4477	1.9867	2.0853	2.7811	2.0129	4.7459	4.3488
2.41...2.45	4.0206	6.5149	4.673	6.3812	5.6672	5.853	4.9868	5.5257	5.7091	2.711	4.6059	5.4976
2.45...2.51	1.3527	3.9637	3.1458	4.4698	3.0749	3.0778	2.2937	2.5572	3.2625	1.8936	4.3245	4.5832
2.51...2.57	0.079381	2.807	0	2.894	1.3281	1.3638	0.66927	0.67214	1.0574	0.40721	2.8187	2.7662
2.57...2.60	0	0.99963	0	0.90056	0.24168	0.24372	0.083705	0.089249	0.17301	0.22618	0	0.33876
2.60...2.66	4.2358	7.3585	4.8712	6.8624	5.7838	5.9425	5.1797	5.2768	5.131	3.3989	3.0015	5.3819
2.66...2.69	1.6225	2.9823	3.0985	3.0037	2.5344	2.4341	2.2497	2.2173	2.3579	1.2842	1.4368	2.0293
2.69...2.71	0	0.80983	0	0.64709	0.026386	0.057324	0	0	0	0	0	0.25813
2.71...2.77	0.093755	3.0802	0.18351	2.2921	0.86903	0.64723	0.0031498	0.047089	0.41974	0.63294	0.21578	1.3835
2.77...2.80	1.3086	3.6229	3.9255	3.7208	3.1136	2.9163	2.3511	2.4797	2.5062	1.6872	0.96295	2.0002
2.80...2.84	1.3292	3.2921	2.4148	3.268	2.6419	2.6156	2.0941	2.2436	2.275	0.9138	0.53515	1.287
2.84...2.87	0.19301	2.5063	0	2.0183	0.90796	1.0101	0.63515	0.62223	0.58146	0.4868	0	0.53539
2.87...2.93	17.027	13.503	29.005	9.4655	8.8009	8.8776	21.314	15.523	13.664	20.294	13.474	13.425
2.93...2.96	0.056	1.7993	0	1.3254	0.44341	0.50171	0.20081	0.37501	0.31108	0.04399	0	0.26333
2.96...2.98	0.23374	1.2067	0.26957	0.84574	0.23202	0.25742	0.088058	0.01885	0.0059928	0.31921	0.38814	1.3944
2.98...3.03	17.591	18.522	34.518	18.042	17.847	18.394	17.771	18.624	17.69	11.835	13.771	22.037
3.03...3.07	0.92528	2.8885	0.86843	3.2529	2.1436	2.2486	1.7237	2.0215	2.2253	0.23746	2.2793	3.0875
3.07...3.09	0	0.95153	0	0.83918	0.1756	0.19673	0	0	0	0	0.3215	0.29318
3.09...3.15	5.3468	9.0517	5.0552	8.3277	7.0939	7.302	6.4801	7.2908	6.3761	5.8161	2.6524	4.3223
3.15...3.17	0.63059	1.5954	1.5606	1.6429	1.0202	1.0914	0.81334	0.96497	0.67477	1.0788	0.54758	0.96569
3.17...3.21	11.108	10.695	34.681	11.617	11.169	11.554	10.713	10.942	10.488	13.072	5.8025	11.622
3.21...3.27	23.333	19.058	46.647	19.939	19.68	20.004	20.14	20.753	20.098	19.57	25.373	21.271
3.27...3.30	0.62225	2.6671	1.0492	3.4393	2.517	2.6278	2.2808	2.5529	2.465	0.10641	1.4637	1.7508
3.30...3.36	1.3588	4.7072	4.2487	9.5397	8.3926	8.3097	6.5661	7.3118	6.6356	2.4907	5.5136	5.7583
3.36...3.38	0.3158	1.4105	0.28814	1.4203	0.71333	0.70688	0.63418	0.71692	0.45709	0.51591	0.087787	0.079736
3.38...3.44	17.918	14.765	32.656	15.865	15.492	15.414	14.848	15.934	14.524	16.357	22.453	12.856
3.44...3.46	0.83899	1.9629	1.3327	2.648	2.0462	2.085	2.0009	2.0193	1.8651	1.7552	0.74842	0.57673
3.46...3.48	1.4687	2.6595	1.6163	3.6784	3.0859	3.1468	3.0972	3.0639	2.6975	2.606	1.9086	1.8498
3.48...3.52	5.0466	5.8958	10.861	9.0625	8.6144	8.6889	8.6185	8.7056	7.8685	8.1151	5.252	5.0437
3.52...3.58	18.232	18.803	34.091	23.66	23.516	24.205	22.058	23.126	21.195	23.97	12.004	15.414
3.58...3.62	7.628	7.9622	12.564	11.879	11.516	11.676	11.902	12.149	10.821	9.5194	16.052	12.961
3.62...3.67	16.601	13.649	31.992	44.589	48.091	47.203	47.412	47.828	47.403	27.214	20.042	19.111
3.67...3.69	3.1142	3.5333	5.8866	7.2517	6.9854	7.1108	6.8623	7.0614	7.1778	5.3899	5.3561	4.9192
3.69...3.71	3.6924	4.2204	5.6834	6.4638	6.1913	6.2416	6.5106	6.3724	6.4074	6.0412	5.3624	5.3698
3.71...3.73	4.5882	5.0553	6.4593	8.1077	7.8694	8.0824	8.576	8.4105	8.128	6.0174	7.9431	8.4964
3.73...3.79	25.165	25.352	34.18	37.268	37.665	38.365	38.118	38.44	38.415	23.769	34.449	38.911
3.79...3.84	15.739	16.686	25.046	24.653	24.11	24.661	24.162	24.172	24.657	20.415	21.71	24.06
3.84...3.89	8.9228	9.4916	14.081	14.996	14.227	14.546	14.7	14.477	15.121	10.68	14.046	15.366
3.89...3.94	14.182	15.457	27.007	24.128	23.442	24.093	23.227	23.75	23.96	15.997	19.36	22.432
3.94...4.00	11.928	15.928	15.948	20.557	19.096	19.84	18.198	19.161	19.377	8.2451	14.413	17.526
4.00...4.03	1.4276	2.73	2.3753	4.7541	3.648	3.724	3.6074	3.6412	4.159	1.1119	3.1377	2.8853
4.03...4.07	5.1881	6.113	8.905	7.7601	6.6311	6.5132	6.6409	6.4727	6.9015	5.7072	5.4744	5.0392
4.07...4.12	6.7651	8.7114	15.598	11.72	10.243	10.241	9.5853	9.8354	10.293	8.4981	9.9357	10.278
4.12...4.18	3.3909	5.6394	4.9036	7.7764	5.0741	5.3672	5.2643	4.7663	5.8698	0.39967	9.2976	9.2162
4.18...4.21	0.64859	2.0275	0.58502	2.4915	1.1349	1.2758	1.195	1.0262	1.282	0	2.4381	2.3289
4.21...4.27	2.1932	5.4611	2.8528	6.2693	4.0296	4.0208	3.4869	3.6093	3.6704	1.1961	4.7836	4.3462
4.27...4.31	1.1204	2.9573	2.5375	3.0662	1.1309	1.066	0.96718	0.88773	1.0772	1.7966	2.8193	2.4567
4.31...4.37	0	3.0355	0.57487	3.0949	0.10732	0.19646	0	0.0092536	0	0	3.9353	3.004
4.37...4.42	0.033925	2.7222	0.2821	2.5503	0.40289	0.26731	0.10078	0.046301	0.11465	0.21402	1.9344	0.96401
4.42...4.47	0.00080498	1.9443	0.14014	2.5374	0.73971	0.72027	0.032234	0.24402	0.12192	0	1.3979	0.11923
4.47...4.52	0.40349	1.3169	0.012108	2.0456	1.0778	1.0315	0.50984	0.75683	0.54516	0.64722	0.78103	0
4.52...4.54	0	0.32127	0	0.64991	0.14551	0.14831	0	0	0	0	0	0
4.54...4.60	0.00576	0.76971	0.086453	1.9857	1.3811	1.2857	0.61706	0.84628	0.51205	0.44292	0	0.10909
4.60...4.62	0.0029205	0.10684	0	0.30815	0.14552	0.14711	0	0.046556	0	0	0	0
4.62...4.67	0.69278	0.6276	0.94702	0.74191	0.70136	0.72953	0.24004	0.62839	0.47111	1.0665	0.17937	0.16729
4.67...4.69	0.0050891	0	0	0	0	0	0	0	0.013599	0	0	0
4.69...4.70	0	0	0.018118	0.0020532	0	0.010931	0.0058209	0.00047656	0.0089185	0	0	0
5.10...5.13	0	0	0.061463	0.033264	0.039827	0.034202	0	0.034729	0.061253	0.0017391	0.020034	0.023228
5.13...5.15	0	0	0	0	0	0	0.0090817	0	0	0	0	0
5.15...5.20	0.028335	0.17804	0.13118	0.53092	0.44837	0.54757	0.12701	0.41167	0.23229	0.19847	0	0.16036
5.20...5.24	0.79697	0.91744	1.1141	1.5735	1.6943	1.7064	1.0443	1.3009	1.2262	1.3392	0.45454	0.96953
5.24...5.27	0	0.17452	0.090278	0.36683	0.41409	0.38281	0.020421	0.081862	0	0	0	0.040371
5.27...5.33	0.29728	1.1396	0	0.18839	0.79431	0.14471	0.038545	0.046018	0.036148	0.5256	0	0
5.33...5.36	0	0.019399	0	0	0	0	0	0	0	0	0	0
5.36...5.41	0.0028267	0.030864	0.025911	0.10459	0.12563	0.12873	0.034535	0.17898	0.037859	0.0128	0.54543	0.8647
5.41...5.44	0	0	0.034386	0	0	0	0	0	0	0.00015102	0.093633	0.18318
5.44...5.48	0	0	0	0.0016508	0.0080042	0.0012126	0.041196	0.0059726	0.016159	0.0046414	0	0
5.48...5.53	0.0066469	0	0.0049404	0	0	0.0038281	0	0	0	0	0.010806	0.019983
5.53...5.56	0.01037	0	0.13759	0.021265	0.027373	0.06505	0.0017539	0.017896	0.034606	0.032696	0	0
5.56...5.60	0	0	0	0	0	0	0	0	0	0	0.001442	0
5.60...5.63	0	0	0.065544	0.0019419	0.0049819	0.0047855	0.013958	0.012289	0.0063159	0	0.011952	0.10261
5.63...5.67	0.016774	0	0	0	0	0	0	0	0	0.0057518	0	0
5.67...5.72	0	0	0.0088924	0.0037877	0	0.0093153	0	0	0.032342	0	0	0.00655
5.72...5.77	0	0	0.0075592	0	0.0035232	0	0	0.0071695	0	0.0011019	0	0
5.77...5.82	0.24998	0	1.28	0.88014	0.98264	0.97622	0.60561	0.83163	0.84591	0.69139	0.070122	0.26259
5.82...5.86	0	0	0.01267	0	0	0	0.00095921	0	0.0032355	0	0.0046896	0
5.86...5.92	0.0013475	0	0.019166	0.071611	0.019696	0.072074	0.1472	0.018797	0.013679	0	0.19074	0.0075377
5.92...5.97	0	0	0	0	0	0	0	0	0	0	0	0.0046243
5.97...6.02	0.010381	0	0.039811	0	0	0	0	0.00062356	0	0	0.0091735	0
6.02...6.07	0	0	0	0.0009934	0.0023196	0.0086304	0	0	0	0.0073183	0.007365	0.0023589
6.07...6.11	0.032513	0	0.29467	0	0	0	0.0068716	0.018164	0.012071	0	0.0032574	0.040795
6.11...6.14	0	0	0	0	0.003239	0.0034362	0	0	0.0042669	0	0	0
6.14...6.19	0.00055296	0	0	0.0044503	0.0023648	0	0	0.022717	0	0.018846	0.011023	0.0070124
6.19...6.23	0.01125	0	0	0	0.0014716	0	0.0065565	0	0	0	0	0.0001058
6.23...6.27	0	0	0.0084682	0	0	0	0	0	0	0	0	0
6.27...6.31	0.020058	0	0.0066752	0.0066031	0.012526	0.028329	0	0.0036071	0.018984	0.012344	0.0033315	0.0052996
6.31...6.35	0	0	0	0.003487	0	0	0.016775	0	0	0.0040092	0.0058672	0.0013828
6.35...6.37	0.0050715	0	0.031876	0.055671	0.10792	0.044998	0	0.0019306	0	0	0	0.0038087
6.37...6.42	0	0	0	0.078643	0.10826	0.059501	0	0.025768	0.01058	0.0013716	0	0
6.42...6.47	0	0	0	0	0.0037882	0	0.00042178	0.011718	0	0.0051541	0.0074508	0.00072051
6.47...6.52	0.079219	0	0.12523	0.083408	0.17623	0.12716	0	0.065804	0.017526	0.41845	0.022266	0.068883
6.52...6.55	0.0061144	0	0	0	0	0	0	0	0	0.014035	0	0
6.55...6.58	0	0	0.018641	0	0.0031407	0	0.00093276	0	0.0088193	0	0.0037992	0
6.58...6.62	0	0	0	0.010859	0	0.0076444	0.017532	0.01967	0.012319	0.011995	0	0
6.62...6.65	0	0	0	0	0.0050861	0	0.013299	0	0	0	0.023772	0.0072299
6.65...6.69	0.0048445	0	0.011187	0.00023208	0	0.0055154	0	0	0.0030487	0	0	0
6.69...6.75	0.034636	0.01836	0.01007	0.020124	0.068647	0.026397	0.009004	0.034819	0.0074113	0	0.00059814	0
6.75...6.78	0	0.045795	0	0	0.010222	0	0	0	0	0.0051056	0.00011548	0
6.78...6.82	0.0039422	0.29496	0	0.079647	0.20231	0.048219	0.030415	0.024877	0.0021378	0.11774	0	0
6.82...6.87	0.35185	1.0055	0.55675	0.8382	1.1738	0.92115	0.93743	0.72186	0.75765	0.67448	0.32593	1.0804
6.87...6.93	1.8647	3.2196	1.6474	3.5064	4.0643	4.0898	3.1517	3.3257	3.1938	1.6115	1.7882	3.1765
6.93...6.96	0	0.0659	0	0	0.0093293	0	0	0	0	0	0	0
6.96...7.02	0.076095	0.37197	0.30012	0.22026	0.26773	0.29086	0.19277	0.19921	0.2327	0.64265	0.29344	0.66024
7.02...7.04	0.0063409	0.12997	0	0	0	0	0	0	0	0	0.04933	0.066044
7.04...7.08	0.45935	1.0735	0.36404	1.0605	1.1377	1.2406	1.0864	0.98034	0.86921	0.049205	0.53426	0.56971
7.08...7.10	0	0.22145	0.013383	0	0	0.064545	0.38487	0	0	0	0.264	0.054446
7.10...7.14	1.6743	1.4431	3.4751	0.69715	0.97716	0.9909	1.2895	0.073489	0.11958	1.9687	2.0662	1.8485
7.14...7.15	0.17186	0.20386	0.53325	0.085878	0.13405	0.15304	0.49315	0.27674	0.17821	0.28696	0.26219	0.26909
7.60...7.62	0	0.066586	0.0063867	0	0	0	0	0	0	0	0.011182	0.0093341
7.62...7.68	0.0062525	0.18683	0.047016	0.018202	0.039269	0.0047095	0.048052	0.060669	0.020334	0.034311	0.00017388	0.01491
7.68...7.70	0	0.089964	0	0	0	0.000057905	0	0	0.00007542	0	0	0
7.70...7.75	0.028954	0.48268	0.025012	0.47984	0.5126	0.51217	0.36699	0.40657	0.27465	0.0041016	0.083485	0.30926
7.75...7.79	0.25972	0.89183	0.12625	1.073	1.1751	1.2073	0.0067766	0.0027447	0	0.093326	0.37256	0.54502
7.79...7.84	0	0.23044	0	0.11877	0.12779	0.11262	1.0497	1.0369	0.94307	0	0.0051675	0
7.84...7.88	0.028837	0.24797	0.063544	0.15247	0.1501	0.13455	0.25529	0.049404	0.008737	0	0.21156	0.077253
7.88...7.93	0.22902	0.55694	1.1081	0.89999	0.92885	0.95684	0.69547	0.792	0.5641	0.80617	0.15631	0.32151
7.93...7.96	0	0.054788	0	0	0	0	0.041297	0	0.0021641	0	0	0.0061588
7.96...8.00	0.0058343	0.10826	0.013222	0.0012175	0.011335	0.0011151	0.013054	0.0085146	0	0.016126	0.023145	0
8.00...8.03	0.021986	0.04617	0.015992	0.0082025	0.0014904	0.0098805	0.0012753	0	0.0014487	0.00092114	0.00024778	0.0081762
8.03...8.05	0	0.010038	0.014304	0	0	0	0	0	0	0	0.00081734	0
8.05...8.07	0.0014065	0.021831	0	0.0040619	0	0	0	0.016912	0	0.037365	0	0.011628
8.07...8.09	0.0014349	0.03262	0.015783	0.017321	0.0085565	0.0053673	0	0	0.010742	0	0	0
8.09...8.15	0	0.091314	0.54682	3.518	4.2253	4.0626	0.02111	0	0.0064699	0	8.1449	4.2223
8.15...8.21	7.5751	5.5844	13.474	1.9843	2.1807	2.2567	1.2311	1.7527	1.7178	11.492	0.8654	4.3882
8.21...8.27	0.013812	0.22131	0.59469	0.18172	0.22206	0.19299	0.041081	2.6459	2.2861	0.16761	0.022787	0.14627
8.27...8.32	0	0.096046	0	0.008074	0	0	2.6785	0.040949	0	0	0.021899	0
8.32...8.35	0.057324	0.091814	0.61729	0	0.00094181	0.0015363	0.030438	0.0083261	0	0.023802	0	0.043498
8.35...8.40	0	0	0.012039	0	0	0	0	0	0	0	0	0
8.40...8.43	0	0.023648	0	0.0019916	0	0	0	0	0.0037567	0	0	0.0025266
8.43...8.46	0.059505	0.13365	0.5431	0.070612	0.095754	0.05521	0.019687	0.024984	0.012988	0.043627	0.016507	0
8.46...8.48	0	0	0	0	0.0022284	0	0	0	0	0	0	0.013652
8.48...8.54	0.007524	0	0	0.001579	0.006171	0.0023011	0.019062	0	0.022501	0	0.0046077	0
8.54...8.57	0	0	0	0	0	0	0	0	0	0	0	0
8.57...8.61	0.010296	0.097327	0.17484	0.13185	0.15872	0.11934	0.051932	0.064141	0.029111	0.10735	0.0071209	0.019792
8.61...8.66	0	0	0	0.0042491	0	0	0	0	0	0	0	0
8.66...8.69	0.015993	0.00075526	0	0	0.0043263	0	0.012908	0	0	0	0	0
8.69...8.74	0.0055322	0	0	0.0068754	0.0023781	0.000028422	0	0	0.019123	0	0	0.01226
8.74...8.80	0.0022064	0	0.000030729	0	0	0.0037108	0	0	0	0	0.0039122	0.02124
8.80...8.86	0	0	0.0062959	0.0030119	0	0	0.0030802	0.0017384	0	0.006606	0.009427	0
8.86...8.91	0	0	0	0	0	0	0	0	0	0	0	0
8.91...8.94	0.024904	0.030497	0.10667	0.12029	0.15869	0.06666	0.031124	0.065277	0.037084	0.056284	0.012567	0.032809
8.94...8.96	0	0	0	0.0026378	0.0030208	0	0	0	0	0	0	0
8.96...9.00	0.010405	0	0	0	0.0029197	0.0031982	0.0117	0	0	0	0.01225	0.0041166
NMR_BINNED_DATA_END
#END