##TITLE=NP0000332, Submission ID 504, Experimental spectrum
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##ORIGIN=NP-MRD
##OWNER=NP-MRD
##DATA TYPE=LINK
##DATE=22/02/02
##TIME=00:53:52
##LONG DATE=2022/02/02 00:53:52 
##TITLE=Alpha-Lactose
##JCAMP-CS=3.7
##ORIGIN=NP-MRD
##OWNER=NP-MRD
##DATE=22/02/02
##TIME=00:53:52
##BLOCK_ID=1
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M  END

##END=
##TITLE=Experimental spectrum
##JCAMP-DX=5.01
##ORIGIN=NP-MRD
##OWNER=NP-MRD
##DATA TYPE=NMR SPECTRUM
##BLOCK_ID=2
##DATE=22/02/02
##TIME=00:53:52
##TEMPERATURE=NA
##LONG DATE=2022/02/02 00:53:52 
##.OBSERVE FREQUENCY=700.0
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4721Aj%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
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667@%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
591@%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
515@%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%J%%%%%%J%J%JJKJKJJJjjkkjkj%j%j%%
439A%%%%j%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
363@%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
287@%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
211@%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%J%%%%%%%%%%%%%%%%%%%%%%%%%%
135A%%%%%%%%%%%%J%%%%%%%%%%%%%%%%%%%%J%%%%%%%%%%%%J%%%%%%%J%%%%%%J%%%%J%%%J%%%J%
59I%J%J%%J%JJ%JJJJJJJJKKKKLMMNPRJ0J4J4J2Pjoom%LPRJ2J6K0K6L3M2N4O9R1J20J61K22L02
4A289L92M49M18K48m6l38m85m66l65k61j82j28r5p3n8m7l7l0k4j8j5j1rol%LNOLlj0j5j4j2rpn
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-6604@ $$ checkpoint
##END=
##TITLE=Simulated peaks
##JCAMP-DX=5.01
##ORIGIN=NP-MRD
##OWNER=NP-MRD
##DATA TYPE=NMR PEAK TABLE
##DATA CLASS=PEAK TABLE
##BLOCK_ID=3
##DATE=22/02/02
##TIME=00:53:52
##TEMPERATURE=NA
##LONG DATE=2022/02/02 00:53:52 
##.OBSERVE FREQUENCY=700.0
##.OBSERVE NUCLEUS=1H
##.SOLVENT NAME=H2O
##NPOINTS=54
##XUNITS=PPM
##YUNITS=ARBITRARY UNITS
##PEAK TABLE=(XY..XY)
(3.7619476318359375, 909.8372286441229)
(3.754364013671875, 912.7239860188688)
(3.7457122802734375, 914.1104200758007)
(3.7380218505859375, 910.4097696673175)
(3.7719879150390625, 909.739085713895)
(3.7642974853515625, 915.1023352530751)
(3.755645751953125, 914.1361981268681)
(3.7480621337890625, 908.9013179163156)
(3.7316131591796875, 464.452943458655)
(3.7239227294921875, 1304.059408706823)
(3.71612548828125, 1305.899521257821)
(3.7083282470703125, 463.7955209629583)
(4.45654296875, 1802.2830139196474)
(4.4434051513671875, 1804.2943334435524)
(3.5622100830078125, 906.2598116166629)
(3.5525970458984375, 923.4318176289682)
(3.5474700927734375, 921.4065912294225)
(3.5378570556640625, 906.3915568287844)
(3.6645355224609375, 900.1585878558237)
(3.6502227783203125, 1510.804108787976)
(3.6497955322265625, 1517.1793105764814)
(3.6354827880859375, 902.0124623254195)
(3.9703369140625, 940.745588922039)
(3.967132568359375, 947.8490799860324)
(3.95281982421875, 946.0009303480153)
(3.9497222900390625, 947.0020255247879)
(5.2327423095703125, 1799.1744933540895)
(5.227294921875, 1801.9093572568358)
(3.9520721435546875, 463.77739208479613)
(3.9443817138671875, 1037.7644812963601)
(3.943206787109375, 700.4568722887526)
(3.936798095703125, 696.9642846359583)
(3.9356231689453125, 1038.080920914716)
(3.9279327392578125, 463.9322193417552)
(3.882110595703125, 919.7531582987091)
(3.8773040771484375, 922.0480082812593)
(3.8626708984375, 919.8279691522133)
(3.8578643798828125, 921.2341520570782)
(3.8320159912109375, 905.4691316841302)
(3.8243255615234375, 915.7355008374974)
(3.815673828125, 915.7511947184878)
(3.8079833984375, 905.5119280938313)
(3.665924072265625, 954.5973390943224)
(3.6628265380859375, 959.6862232464442)
(3.65716552734375, 961.7178334939721)
(3.6540679931640625, 955.2917977491563)
(3.805206298828125, 958.5436239764847)
(3.8021087646484375, 979.3367902333746)
(3.7978363037109375, 977.1525743934778)
(3.7948455810546875, 957.2613007868179)
(3.5844268798828125, 1075.9568614328996)
(3.5829315185546875, 1089.4339364213306)
(3.577056884765625, 1089.9667898038163)
(3.5755615234375, 1073.4933187947167)
##END=
##TITLE=Assignments
##JCAMP-DX=5.01
##ORIGIN=NP-MRD
##OWNER=NP-MRD
##DATA TYPE=NMR PEAK ASSIGNMENTS
##DATA CLASS=PEAK ASSIGNMENTS
##BLOCK_ID=4
##CROSS REFERENCE=STRUCTURE:BLOCK_ID=1
##DATE=22/02/02
##TIME=00:53:52
##TEMPERATURE=NA
##LONG DATE=2022/02/02 00:53:52 
##SOURCE REFERENCE=PMID 34073500
##.OBSERVE FREQUENCY=700.0
##.OBSERVE NUCLEUS=1H
##.SOLVENT NAME=H2O
##NPOINTS=54
##XUNITS=PPM
##PEAK ASSIGNMENTS=(XMA)
(3.75, <dd>, <25>)
(3.75, <dd>, <25>)
(3.75, <dd>, <25>)
(3.75, <dd>, <25>)
(3.76, <dd>, <26>)
(3.76, <dd>, <26>)
(3.76, <dd>, <26>)
(3.76, <dd>, <26>)
(3.72, <dt>, <27>)
(3.72, <dt>, <27>)
(3.72, <dt>, <27>)
(3.72, <dt>, <27>)
(4.45, <d>, <28>)
(4.45, <d>, <28>)
(3.55, <dd>, <30>)
(3.55, <dd>, <30>)
(3.55, <dd>, <30>)
(3.55, <dd>, <30>)
(3.65, <dd>, <32>)
(3.65, <dd>, <32>)
(3.65, <dd>, <32>)
(3.65, <dd>, <32>)
(3.96, <dd>, <34>)
(3.96, <dd>, <34>)
(3.96, <dd>, <34>)
(3.96, <dd>, <34>)
(5.23, <d>, <35>)
(5.23, <d>, <35>)
(3.94, <dt>, <36>)
(3.94, <dt>, <36>)
(3.94, <dt>, <36>)
(3.94, <dt>, <36>)
(3.94, <dt>, <36>)
(3.94, <dt>, <36>)
(3.87, <dd>, <37>)
(3.87, <dd>, <37>)
(3.87, <dd>, <37>)
(3.87, <dd>, <37>)
(3.82, <dd>, <38>)
(3.82, <dd>, <38>)
(3.82, <dd>, <38>)
(3.82, <dd>, <38>)
(3.66, <dd>, <40>)
(3.66, <dd>, <40>)
(3.66, <dd>, <40>)
(3.66, <dd>, <40>)
(3.8, <dd>, <42>)
(3.8, <dd>, <42>)
(3.8, <dd>, <42>)
(3.8, <dd>, <42>)
(3.58, <dd>, <44>)
(3.58, <dd>, <44>)
(3.58, <dd>, <44>)
(3.58, <dd>, <44>)
##END=
##END=