#METABOLOMICS WORKBENCH STUDY_ID:ST000000 ANALYSIS_ID:AN000000
VERSION             	1
CREATED_ON          	2026-04-02
#PROJECT
PR:ADDRESS                       	Gerhard C. Hildebrandt, MD, Room no. CC401A, Ben Roach Building, Markey Cancer
PR:ADDRESS                       	Center University of Kentucky, Lexington, 40536
PR:DEPARTMENT                    	Markey Cancer Center, Hematology and Blood and Marrow Transplant
PR:EMAIL                         	gerhard.hildebrandt@uky.edu
PR:FIRST_NAME                    	Gerhard
PR:INSTITUTE                     	University of Kentucky
PR:LAST_NAME                     	Hildebrandt
PR:PHONE                         	800-333-8874
PR:PROJECT_SUMMARY               	Allogeneic hematopoietic cell transplantation (allo-HCT) is a potentially
PR:PROJECT_SUMMARY               	curative treatment option for a variety of hematological malignancies.
PR:PROJECT_SUMMARY               	Interactions between the donor immune system and the patient tissue result in a
PR:PROJECT_SUMMARY               	disease, called GVHD. The pathophysiology of acute GVHD can be hypothesized in
PR:PROJECT_SUMMARY               	three sequential phases: cytokine storm and activation of the antigen-presenting
PR:PROJECT_SUMMARY               	cells (APC), donor T cell activation and effector cell phase. Idiopathic
PR:PROJECT_SUMMARY               	pneumonia syndrome (IPS) is one of the most deleterious complications after
PR:PROJECT_SUMMARY               	allogeneic HCT and is considered not only to be related to conditioning regimen
PR:PROJECT_SUMMARY               	toxicity but also represents an end organ damage caused by allo-reactive T
PR:PROJECT_SUMMARY               	cells, therefore making the lung susceptible to a two-pronged attack, one of
PR:PROJECT_SUMMARY               	which overlaps with GVHD causing other target organ injury. IPS results in
PR:PROJECT_SUMMARY               	mortality of up to 90% of patients. We will use a murine model of IPS and GVHD
PR:PROJECT_SUMMARY               	which is well established in our group, and in which disease evolves either
PR:PROJECT_SUMMARY               	across disparities in major histocompatibility complex (MCH) class I and II,
PR:PROJECT_SUMMARY               	minor histocompatibility antigens (miHags) or both. Metabolomics changes
PR:PROJECT_SUMMARY               	following syngeneic and allogeneic HCT at post-transplantation Days +7 (cytokine
PR:PROJECT_SUMMARY               	storm phase) and Days +42 (cellular effector phase) are compared to baseline
PR:PROJECT_SUMMARY               	wild-type (naive) controls. Prior to analysis, naïve - and experimental mice
PR:PROJECT_SUMMARY               	(N=3 from each group) were fed with semi-liquid diet supplemented with tracers
PR:PROJECT_SUMMARY               	(13C6-glucose ) over 24 hours. At the end of 7 days or 42 days, respectively,
PR:PROJECT_SUMMARY               	feces and aGVHD target organs (colon, liver and lung) were collected from all
PR:PROJECT_SUMMARY               	groups and further processed and / or analyzed. We expect to reveal metabolic
PR:PROJECT_SUMMARY               	pathways affected after allo-HCT which contribute to immune cell mediated lung
PR:PROJECT_SUMMARY               	injury (IPS) and will potentially identify different metabolic pathways in other
PR:PROJECT_SUMMARY               	GVHD target organs.
PR:PROJECT_TITLE                 	Metabolomics of lung injury after allogeneic hematopoietic cell transplantation
#STUDY
ST:ADDRESS                       	CTW-453, 900 South Limestone street. UKY. Lexington, Kentucky-40536
ST:DEPARTMENT                    	MCC
ST:EMAIL                         	gerhard.hildebrandt@uky.edu
ST:FIRST_NAME                    	Gerhard
ST:INSTITUTE                     	University of Kentucky
ST:LAST_NAME                     	Hildebrandt
ST:PHONE                         	800-333-8874
ST:STUDY_SUMMARY                 	Allogeneic hematopoietic cell transplantation (allo-HCT) is a potentially
ST:STUDY_SUMMARY                 	curative treatment option for a variety of hematological malignancies.
ST:STUDY_SUMMARY                 	Interactions between the donor immune system and the patient tissue result in a
ST:STUDY_SUMMARY                 	disease, called GVHD. The pathophysiology of acute GVHD can be hypothesized in
ST:STUDY_SUMMARY                 	three sequential phases: cytokine storm and activation of the antigen-presenting
ST:STUDY_SUMMARY                 	cells (APC), donor T cell activation and effector cell phase. Idiopathic
ST:STUDY_SUMMARY                 	pneumonia syndrome (IPS) is one of the most deleterious complications after
ST:STUDY_SUMMARY                 	allogeneic HCT and is considered not only to be related to conditioning regimen
ST:STUDY_SUMMARY                 	toxicity but also represents an end organ damage caused by allo-reactive T
ST:STUDY_SUMMARY                 	cells, therefore making the lung susceptible to a two-pronged attack, one of
ST:STUDY_SUMMARY                 	which overlaps with GVHD causing other target organ injury. IPS results in
ST:STUDY_SUMMARY                 	mortality of up to 90% of patients. We will use a murine model of IPS and GVHD
ST:STUDY_SUMMARY                 	which is well established in our group, and in which disease evolves either
ST:STUDY_SUMMARY                 	across disparities in major histocompatibility complex (MCH) class I and II,
ST:STUDY_SUMMARY                 	minor histocompatibility antigens (miHags) or both. Metabolomics changes
ST:STUDY_SUMMARY                 	following syngeneic and allogeneic HCT at post-transplantation Days +7 (cytokine
ST:STUDY_SUMMARY                 	storm phase) and Days +42 (cellular effector phase) are compared to baseline
ST:STUDY_SUMMARY                 	wild-type (naive) controls. Prior to analysis, naïve - and experimental mice
ST:STUDY_SUMMARY                 	(N=3 from each group) were fed with semi-liquid diet supplemented with tracers
ST:STUDY_SUMMARY                 	(13C6-glucose ) over 24 hours. At the end of 7 days or 42 days, respectively,
ST:STUDY_SUMMARY                 	feces and aGVHD target organs (colon, liver and lung) were collected from all
ST:STUDY_SUMMARY                 	groups and further processed and / or analyzed. We expect to reveal metabolic
ST:STUDY_SUMMARY                 	pathways affected after allo-HCT which contribute to immune cell mediated lung
ST:STUDY_SUMMARY                 	injury (IPS) and will potentially identify different metabolic pathways in other
ST:STUDY_SUMMARY                 	GVHD target organs.
ST:STUDY_TITLE                   	Metabolomics of lung injury after allogeneic hematopoietic cell transplantation
ST:STUDY_TITLE                   	- Lung NMR HSQC
#SUBJECT
SU:SUBJECT_SPECIES               	Mus musculus
SU:SUBJECT_TYPE                  	Mouse
SU:TAXONOMY_ID                   	10090
#SUBJECT_SAMPLE_FACTORS:         	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data
SUBJECT_SAMPLE_FACTORS           	01_A0_naive_0days_UKy_GCH_rep1	16_A0_Lung_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A	Treatment:naive | Time Point:0	lineage0_id=01_A0_naive_0days_UKy_GCH_rep1; lineage1_id=16_A0_Lung_naive_0days_170427_UKy_GCH_rep1; lineage2_id=16_A0_Lung_naive_0days_170427_UKy_GCH_rep1-protein
SUBJECT_SAMPLE_FACTORS           	02_A1_naive_0days_UKy_GCH_rep2	17_A1_Lung_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A	Treatment:naive | Time Point:0	lineage0_id=02_A1_naive_0days_UKy_GCH_rep2; lineage1_id=17_A1_Lung_naive_0days_170427_UKy_GCH_rep2; lineage2_id=17_A1_Lung_naive_0days_170427_UKy_GCH_rep2-protein
SUBJECT_SAMPLE_FACTORS           	03_A2_naive_0days_UKy_GCH_rep3	18_A2_Lung_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A	Treatment:naive | Time Point:0	lineage0_id=03_A2_naive_0days_UKy_GCH_rep3; lineage1_id=18_A2_Lung_naive_0days_170427_UKy_GCH_rep3; lineage2_id=18_A2_Lung_naive_0days_170427_UKy_GCH_rep3-protein
SUBJECT_SAMPLE_FACTORS           	04_B0_syngenic_42days_UKy_GCH_rep1	19_B0_Lung_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A	Treatment:syngenic | Time Point:42	lineage0_id=04_B0_syngenic_42days_UKy_GCH_rep1; lineage1_id=19_B0_Lung_syngenic_42days_170427_UKy_GCH_rep1; lineage2_id=19_B0_Lung_syngenic_42days_170427_UKy_GCH_rep1-protein
SUBJECT_SAMPLE_FACTORS           	05_B1_syngenic_42days_UKy_GCH_rep2	20_B1_Lung_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A	Treatment:syngenic | Time Point:42	lineage0_id=05_B1_syngenic_42days_UKy_GCH_rep2; lineage1_id=20_B1_Lung_syngenic_42days_170427_UKy_GCH_rep2; lineage2_id=20_B1_Lung_syngenic_42days_170427_UKy_GCH_rep2-protein
SUBJECT_SAMPLE_FACTORS           	06_B2_syngenic_42days_UKy_GCH_rep3	21_B2_Lung_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A	Treatment:syngenic | Time Point:42	lineage0_id=06_B2_syngenic_42days_UKy_GCH_rep3; lineage1_id=21_B2_Lung_syngenic_42days_170427_UKy_GCH_rep3; lineage2_id=21_B2_Lung_syngenic_42days_170427_UKy_GCH_rep3-protein
SUBJECT_SAMPLE_FACTORS           	07_C1-1_allogenic_42days_UKy_GCH_rep1	22_C1-1_Lung_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A	Treatment:allogenic | Time Point:42	lineage0_id=07_C1-1_allogenic_42days_UKy_GCH_rep1; lineage1_id=22_C1-1_Lung_allogenic_42days_170427_UKy_GCH_rep1; lineage2_id=22_C1-1_Lung_allogenic_42days_170427_UKy_GCH_rep1-protein
SUBJECT_SAMPLE_FACTORS           	08_C1-2_allogenic_42days_UKy_GCH_rep2	23_C1-2_Lung_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A	Treatment:allogenic | Time Point:42	lineage0_id=08_C1-2_allogenic_42days_UKy_GCH_rep2; lineage1_id=23_C1-2_Lung_allogenic_42days_170427_UKy_GCH_rep2; lineage2_id=23_C1-2_Lung_allogenic_42days_170427_UKy_GCH_rep2-protein
SUBJECT_SAMPLE_FACTORS           	09_C2-0_allogenic_42days_UKy_GCH_rep1	24_C2-0_Lung_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A	Treatment:allogenic | Time Point:42	lineage0_id=09_C2-0_allogenic_42days_UKy_GCH_rep1; lineage1_id=24_C2-0_Lung_allogenic_42days_170427_UKy_GCH_rep1; lineage2_id=24_C2-0_Lung_allogenic_42days_170427_UKy_GCH_rep1-protein
SUBJECT_SAMPLE_FACTORS           	10_B1-0_syngenic_7days_UKy_GCH_rep1	25_B1-0_Lung_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A	Treatment:syngenic | Time Point:7	lineage0_id=10_B1-0_syngenic_7days_UKy_GCH_rep1; lineage1_id=25_B1-0_Lung_syngenic_7days_170427_UKy_GCH_rep1; lineage2_id=25_B1-0_Lung_syngenic_7days_170427_UKy_GCH_rep1-protein
SUBJECT_SAMPLE_FACTORS           	11_B1-1_syngenic_7days_UKy_GCH_rep2	26_B1-1_Lung_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A	Treatment:syngenic | Time Point:7	lineage0_id=11_B1-1_syngenic_7days_UKy_GCH_rep2; lineage1_id=26_B1-1_Lung_syngenic_7days_170427_UKy_GCH_rep2; lineage2_id=26_B1-1_Lung_syngenic_7days_170427_UKy_GCH_rep2-protein
SUBJECT_SAMPLE_FACTORS           	12_B1-2_syngenic_7days_UKy_GCH_rep3	27_B1-2_Lung_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A	Treatment:syngenic | Time Point:7	lineage0_id=12_B1-2_syngenic_7days_UKy_GCH_rep3; lineage1_id=27_B1-2_Lung_syngenic_7days_170427_UKy_GCH_rep3; lineage2_id=27_B1-2_Lung_syngenic_7days_170427_UKy_GCH_rep3-protein
SUBJECT_SAMPLE_FACTORS           	13_C1-1_allogenic_7days_UKy_GCH_rep1	28_C1-1_Lung_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A	Treatment:allogenic | Time Point:7	lineage0_id=13_C1-1_allogenic_7days_UKy_GCH_rep1; lineage1_id=28_C1-1_Lung_allogenic_7days_170427_UKy_GCH_rep1; lineage2_id=28_C1-1_Lung_allogenic_7days_170427_UKy_GCH_rep1-protein
SUBJECT_SAMPLE_FACTORS           	14_C1-2_allogenic_7days_UKy_GCH_rep2	29_C1-2_Lung_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A	Treatment:allogenic | Time Point:7	lineage0_id=14_C1-2_allogenic_7days_UKy_GCH_rep2; lineage1_id=29_C1-2_Lung_allogenic_7days_170427_UKy_GCH_rep2; lineage2_id=29_C1-2_Lung_allogenic_7days_170427_UKy_GCH_rep2-protein
SUBJECT_SAMPLE_FACTORS           	15_C1-20_allogenic_7days_UKy_GCH_rep3	30_C1-20_Lung_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A	Treatment:allogenic | Time Point:7	lineage0_id=15_C1-20_allogenic_7days_UKy_GCH_rep3; lineage1_id=30_C1-20_Lung_allogenic_7days_170427_UKy_GCH_rep3; lineage2_id=30_C1-20_Lung_allogenic_7days_170427_UKy_GCH_rep3-protein
#COLLECTION
CO:COLLECTION_PROTOCOL_FILENAME  	mouse_tissue_procedure.pdf
CO:COLLECTION_PROTOCOL_ID        	mouse_tissue_collection
CO:COLLECTION_SUMMARY            	Mouse is sacrificed and tissues are harvested.
CO:SAMPLE_TYPE                   	mouse
#TREATMENT
TR:TREATMENT_PROTOCOL_FILENAME   	study_treatments.pdf;study_treatments.pdf;study_treatments.pdf
TR:TREATMENT_PROTOCOL_ID         	allogenic;naive;syngenic
TR:TREATMENT_SUMMARY             	Mouse with allogenic bone marrow transplant. Fed with semi-liquid diet
TR:TREATMENT_SUMMARY             	supplemented with fully labeled glucose for 24 hours before harvest.;Mouse with
TR:TREATMENT_SUMMARY             	no treatment. Fed with semi-liquid diet supplemented with fully labeled glucose
TR:TREATMENT_SUMMARY             	for 24 hours before harvest.;Mouse with syngenic bone marrow transplant. Fed
TR:TREATMENT_SUMMARY             	with semi-liquid diet supplemented with fully labeled glucose for 24 hours
TR:TREATMENT_SUMMARY             	before harvest.
#SAMPLEPREP
SP:SAMPLEPREP_PROTOCOL_FILENAME  	No tissue_quench file.;No frozen_tissue_grind file.;4B_Extract_Polar_Lipid_Prot_Fan_070417.pdf;['4D_17Jun4_Fan_Prot_Quant.pdf', '4B_Extract_Polar_Lipid_Prot_Fan_070417.pdf'];4A2_Media Extraction with acetone ppt step.pdf
SP:SAMPLEPREP_PROTOCOL_ID        	tissue_quench;frozen_tissue_grind;polar_extraction;protein_extraction;acetone_extraction
SP:SAMPLEPREP_SUMMARY            	Tissue is frozen in liquid nitrogen to stop metabolic processes.;Frozen tissue
SP:SAMPLEPREP_SUMMARY            	is ground in a SPEX grinder under liquid nitrogen to homogenize the
SP:SAMPLEPREP_SUMMARY            	sample.;Polar extraction from homogenate, lypholized, and frozen.;Protein
SP:SAMPLEPREP_SUMMARY            	extraction and quantification.;acetone extraction of polar metabolites
#ANALYSIS
AN:ANALYSIS_TYPE                 	NMR
#NMR
NM:ACQUISITION_TIME              	2 s
NM:BASELINE_CORRECTION_METHOD    	Bernstein Polynomial
NM:CHEMICAL_SHIFT_REF_CPD        	DSS
NM:INSTRUMENT_NAME               	Agilent 600
NM:INSTRUMENT_TYPE               	Agilent 600
NM:NMR_EXPERIMENT_TYPE           	HC-HSQC
NM:NMR_PROBE                     	cryogenic triple resonance HCN
NM:NMR_SOLVENT                   	D20
NM:NMR_TUBE_SIZE                 	1.7 mm
NM:PULSE_SEQUENCE                	gHSQCAD
NM:RELAXATION_DELAY              	4 s
NM:SHIMMING_METHOD               	gradient shimming
NM:SPECTROMETER_FREQUENCY        	600 MHz
NM:STANDARD_CONCENTRATION        	0.5 mM
NM:TEMPERATURE                   	15 C
NM:WATER_SUPPRESSION             	presaturation
#NMR_BINNED_DATA
NMR_BINNED_DATA:UNITS            	normalized peak area
NMR_BINNED_DATA_START
Bin range(ppm)	30_C1-20_Lung_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A	28_C1-1_Lung_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A	20_B1_Lung_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A	24_C2-0_Lung_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A	26_B1-1_Lung_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A	19_B0_Lung_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A	22_C1-1_Lung_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A	27_B1-2_Lung_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A	18_A2_Lung_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A	16_A0_Lung_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A	21_B2_Lung_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A	23_C1-2_Lung_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A	17_A1_Lung_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A	25_B1-0_Lung_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A	29_C1-2_Lung_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
0.1114075023667116-737.3158495462656	1.070276789689862														
10.884268361690541-332.45707152922944		5.728341945419517													
101.1375436454094-866.8979074676492			3.653847115565133												
102.2054281730208-678.7584273676783				1.467362766466175											
102.26299207865608-598.457441106026	48.68281583383366														
103.10842032605316-761.4011461969942			0.3350590302621514												
103.52320634975464-425.3491551118651					12.47574977410014										
104.1954300327359-265.84477598866636						63.95104162605271									
106.47144824155464-684.3506659607492							38.61213176855605								
107.408914719468-818.6665011897883	62.58227304466717														
108.41806060111514-352.2420270471699						3.900645513166329									
11.47358343442939-709.6210524105138								1.369158687143802							
11.794310854827295-288.19802127776734					2.820722084252627										
110.31415353332375-585.2253079740021									13.50326285771857						
111.93038648039754-861.9088745159461				23.57041749623658											
114.7331405393277-618.8828600746268										1.48351788624908					
114.90550570928993-828.6097661332933											0.4692541867110285				
115.04721322525025-518.4214507484108												1.323455838253844			
115.7129540127565-815.8623124577418					16.97766355059344										
120.57889039171843-986.1354848806651												8.971314709625695			
126.08875135775676-741.768965869814												2.361745173763167			
127.02998382158614-935.3102426249416					0.3466602605835146										
127.31931423079823-377.43888996677686													7.369803313091052		
129.64188957315014-502.59584149632656														3.519453452852863	
130.46584089907708-208.5986085960195									1.627650784911801						
132.38982421000867-606.9197396647133	15.87875338850055														
134.1791294940361-818.8625009979107													100.0490094826573		
135.84385634457496-667.3909974296531							2.493230825158754								
136.80557272406668-364.4642790517879									4.747296863503098						
136.8259863556549-839.1491501244227													60.42920586074544		
141.45343707281864-348.68513766803926												4.178915351895735			
142.5058222556792-381.24205545907785							58.77610273655051								
143.6616688467972-515.7440813879077										8.857696112425476					
144.34723445221164-384.22560253321706															57.5646664049979
145.92525586459982-891.6915235033068						19.73013618573467									
146.82185470474485-315.5088588694822											1.626664486195061				
151.12911174543564-600.1485277180719													17.7712952464435		
151.59918821223462-872.9211689242458			1.007904601865332												
154.4182531891425-668.7154242060724												0.7500990930657742			
154.50724695152084-542.9466760043242						1.539445456459842									
157.00958146050382-451.42517531893145											6.490758071731675				
157.18867493243792-337.3944890026246			0.1967872280593244												
159.51132560080396-206.54403631406612													26.35266965605965		
16.135894012782813-807.4111674851474														2.194173216968797	
161.2273726677841-870.0325682040245			4.684851129638833												
163.8386297260863-388.00619301240897								2.433987933537595							
164.17957750716116-656.6104403210824							1.001199360817605								
164.6807824824359-970.8788472450535						3.210842212049619									
164.94098786749944-180.871355098624						0.2792859532414051									
165.05215115232042-494.52802644289034												33.73424907706095			
17.193904546260242-607.331285209969													0.6249905376736028		
17.25322971103138-719.6993578289159								1.831055114420716							
171.16117120195128-873.3276393631265										7.881122440910317					
171.51376386256123-285.98407373319566														169.5594485545096	
176.41604608824468-679.8627365325489				9.17685352844336											
178.93234588556683-419.6880753685714				63.96280832748442											
179.49864059593645-883.3013451850524	2.824883756251602														
184.20935032090756-675.884629480985													52.56311148719951		
184.4735607309136-378.65228663208813							2.683276051109536								
185.83870513943535-933.5335109636783		15.94279280473895													
186.42182973575527-659.4306280508755		1.465840031656949													
190.18306324420863-836.99508322394	17.09299506054247														
191.84734632469957-818.0504410464521												0.3700538954323866			
192.9081546305208-826.9550172687798												13.49202747288558			
193.04362596048597-208.11973607737272			8.094138928207686												
194.91759870721447-681.1324393917092										10.52272682921159					
196.51664810585746-740.1337454542249		5.996648757192804													
197.3338571940668-965.5323539569207												0.675799583581567			
2.509788348352804-54.23034184562044														3.779127433941862	
2.5446292098258994-903.4688039099368														16.38292566809561	
200.35400282278937-601.0063874945354						0.9256175225541692									
200.74472382952902-998.0910655124958										8.421075672052426					
201.14690485932664-824.6235091401338					1.103010594677247										
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777.6258511997283-917.9524327319161								6.744300130420299							
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792.4764312153817-811.8885573873961		27.25671472258037													
793.5956232777974-800.004243160306						1.663489300460705									
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800.2430142745138-914.0652657926261					45.37732165150425										
800.3974757032599-945.599920032867															3.099763887138852
803.1168031354603-957.1242592194112					10.4232319008556										
803.4189494556055-874.0457055551258														3.229310276443751	
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804.1685621566173-892.544784553008														53.09593361024601	
804.3867745082263-900.3518352218148														15.23825196509958	
805.4459549406165-845.8269781476712												18.70266447046346			
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813.8557979610653-848.1638649925458			5.258305507373461												
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83.97298797195984-84.55414908003299			10.65531345539901												
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838.8666927118547-889.1703525732783		2.525536907495163													
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842.5852237784005-933.0389449314052		3.321602966914788													
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846.4632497726301-904.9330312574169														0.9160269171532681	
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860.2620177341036-932.4167616830636															0.21952024599774
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866.1459573314702-991.7630426239127					30.7302541002136										
866.359439810513-967.2807324965182							75.22329299923159								
868.8823284568922-902.2414354408429											53.15021705750867				
869.8492803777708-902.8562717309651	1.314541284889026														
870.8285463007079-962.7684849421915								25.11205614201537							
872.4423576467123-976.504251702896			2.419521925027679												
872.780236491456-985.7019703431381				115.5074555419828											
873.3752233085578-980.9860536133342				267.5406065555259											
873.6128002372299-874.0356457992625						31.04028875375313									
874.0195486240236-914.8814894654607	3.460102755315279														
877.4530886324384-947.7166887642242													11.16101590377429		
878.0405621047496-949.5950461805586				9.33693825173641											
880.2622723366238-999.5172142056938														41.19985433216476	
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881.7404986980977-947.2219147840568								2.35833346112084							
882.6754395678995-977.8541628625987		22.33136444672714													
883.4791054004879-997.8748202273966					0.7555995727753084										
883.6079124642816-921.1729824454181													25.0681186482183		
884.6703121688379-963.7689423907188												5.367567020973105			
886.8565876976413-918.19188106259			2.881267425414594												
887.6995806919616-961.501569106907										0.2637527471101226					
888.2434210851454-920.2459509389272						3.860940974458759									
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892.4157295589798-929.9871321044207													0.2574649678664002		
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897.8228942209049-917.4421194601821								1.980488289857661							
90.81150544762062-147.8265986110714										22.16183944543756					
900.407803003694-962.7132582301325			8.751319940178417												
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902.6504353359679-939.4770830919339														3.5718019535407	
905.5626244361706-985.9100988111576			30.26338436248696												
907.4165038614129-934.203698420798										37.35608789831367					
908.2607582457873-911.6962667746304						25.60920441716221									
909.1026277948895-996.0074243499948		17.59131190960354													
91.18414873872815-863.5240982911225														7.711547806023736	
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915.2194063293542-967.3664901308365											2.04080232438951				
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919.188668785818-938.595587276104				166.4347034024466											
919.2510048810294-994.140066084789													13.06400214440536		
92.43500127874438-684.7694655971125			4.454218737497699												
92.7590403030717-987.8096183759426															6.45087299687707
922.1819027964264-959.3993016432063											127.6521024691763				
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924.0550382278768-960.3272778455323											4.127460994836341				
925.2818376354271-954.9392867068279								2.508729328510752							
926.6071869027344-965.5860216779265										0.09636758257507522					
926.6126420218536-943.9198795447635									1.73943462934455						
928.5039318384569-977.0716999149947															103.7522323176778
929.5061847786612-954.9436212761406														65.81591573229967	
93.27862419596578-114.1838145978591								3.038872202040535							
931.2455314682219-984.3121891560679											10.51272464314843				
931.3472746223425-943.5286271945592															56.64885026586802
931.6880211018463-934.6165893865002															11.17477715494425
935.1603601915052-935.9298937190283														11.04203221263624	
937.729180872994-977.1847005450057												38.83303485096003			
938.1839893713914-971.9911291251585										0.4898002436050454					
94.22708012888548-523.3078269005207			23.56940642510862												
943.0363590347336-975.3024641140157		2.921653775069233													
945.3397348977521-994.0435006219908												0.8778539792483994			
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946.5437972469225-996.0044203255817	1.72495126405875														
947.2765083361354-994.3375827354387												45.5980621052338			
947.3167143231925-988.421393811571														5.286119383625488	
947.6872737942955-982.3056717302751															0.7684351317623923
948.457779141897-951.5552894557585		4.234120743581087													
951.5420940506278-954.942698862192										1.272762814472607					
953.8044870273777-977.0956156056545						5.485314838043246									
954.2866427403387-985.0288217051415								4.768486405250959							
958.3291782228404-976.3348271322285								21.90080149618848							
964.0092760675241-967.3341405275136								2.368981252986498							
968.7869881920982-994.1286451215813				4.549648170888623											
972.8108879780438-990.0821428696293				65.42330499415841											
972.9428858833252-992.546601736173															1.263850243988125
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975.1949920395336-986.3971603644491										10.63477639132573					
975.9378660382735-991.9496827262556					25.8048990474967										
976.4717002402044-998.387641702285											1.721466001756131				
977.2408979502316-995.1926657474787					1.508957568721364										
978.0076480254379-985.3658262883813															11.36579421460837
978.2704316180141-997.6871387315773	3.564061088618107														
98.37301794238029-976.3822912206496														1.145717020847512	
981.3080741390863-992.2960932404046												20.74827696368287			
982.8694779338311-996.9959806881242															31.93595464328705
982.9019635524769-992.4084911939941					12.63889524230585										
988.0680263884998-989.7315301108654					3.292293576364786										
989.7245699033699-994.4070998713454									0.2509879262658648						
989.7442292495416-995.7348147005524	6.700280622432746														
990.2025715163251-999.6266774399768										84.84635416957121					
992.8608675859664-993.2394632710235												14.32988540144569			
995.9544739459224-998.7274326373293						0.9788092707551024									
NMR_BINNED_DATA_END
#END
