NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)

image	mrblock_id	pdb_id	bmrb_id	cing	stage	position	program	type	subtype	subsubtype
	640574	6mbm	30509	cing	1-original	1	XPLOR/CNS	distance	NOE	ambi

# Restraints file 1: restrainfile_Hs02.txt
assign ( resid 8 and name H
	 )
       ( resid 8 and name HA
	 ) 2.6 0.8 0.8 volume=22.317 peak=1 ppm1=8.453 ppm2=3.736

assign ( resid 11 and name H
	 )
       ( resid 11 and name HA
	 ) 2.6 0.9 0.9 volume=21.556 peak=2 ppm1=8.434 ppm2=3.562

assign ( resid 12 and name H
	 )
       ( resid 12 and name HA
	 ) 2.5 0.8 0.8 volume=25.316 peak=3 ppm1=8.165 ppm2=3.839

assign ( resid 10 and name H
	 )
       ( resid 10 and name HA
	 ) 2.6 0.9 0.9 volume=21.106 peak=4 ppm1=8.076 ppm2=4.239

assign ( resid 14 and name H
	 )
       ( resid 14 and name HA
	 ) 2.5 0.8 0.8 volume=33.223 peak=5 ppm1=7.844 ppm2=4.228

assign ( resid 16 and name H
	 )
       ( resid 16 and name HA
	 ) 2.5 0.8 0.8 volume=26.402 peak=6 ppm1=7.803 ppm2=4.183

assign ( resid 5 and name H
	 )
       ( resid 5 and name HA
	 ) 2.9 1.0 1.0 volume=11.778 peak=7 ppm1=7.875 ppm2=3.856

assign ( resid 4 and name H
	 )
       ( resid 4 and name HA
	 ) 3.0 1.2 1.2 volume=9.239 peak=8 ppm1=7.917 ppm2=3.413

assign ( resid 16 and name H
	 )
       ( resid 16 and name HB2
	 or resid 16 and name HB3
	 ) 2.3 0.6 0.6 volume=44.157 peak=9 ppm1=7.806 ppm2=3.755

assign ( resid 15 and name H
	 )
       ( resid 15 and name HA
	 ) 2.4 0.7 0.7 volume=38.586 peak=10 ppm1=7.785 ppm2=3.855

assign ( resid 9 and name H
	 )
       ( resid 9 and name HA
	 ) 2.6 0.8 0.8 volume=25.808 peak=11 ppm1=7.632 ppm2=3.872

assign ( resid 6 and name H
	 )
       ( resid 6 and name HA
	 ) 3.1 1.2 1.2 volume=7.154 peak=12 ppm1=7.576 ppm2=3.694

assign ( resid 7 and name H
	 )
       ( resid 7 and name HA
	 ) 3.0 1.1 1.1 volume=10.151 peak=13 ppm1=7.888 ppm2=3.578

assign ( resid 2 and name H
	 )
       ( resid 2 and name HA
	 ) 2.2 0.6 0.6 volume=62.501 peak=14 ppm1=7.805 ppm2=4.637

assign ( resid 14 and name H
	 )
       ( resid 14 and name HB2
	 ) 2.5 0.8 0.8 volume=28.860 peak=15 ppm1=7.844 ppm2=2.908

assign ( resid 14 and name H
	 )
       ( resid 14 and name HB3
	 ) 2.5 0.8 0.8 volume=29.137 peak=16 ppm1=7.842 ppm2=2.743

assign ( resid 15 and name H
	 )
       ( resid 15 and name HG2#
	 ) 2.4 0.7 0.7 volume=34.776 peak=17 ppm1=7.791 ppm2=0.829

assign ( resid 11 and name H
	 )
       ( resid 12 and name H
	 ) 2.8 1.0 1.0 volume=12.918 peak=18 ppm1=8.433 ppm2=8.168

assign ( resid 11 and name H
	 )
       ( resid 10 and name H
	 ) 2.8 1.0 1.0 volume=12.879 peak=19 ppm1=8.431 ppm2=8.078

assign ( resid 3 and name H
	 )
       ( resid 3 and name HB#
	 ) 2.9 1.0 1.0 volume=11.763 peak=20 ppm1=8.348 ppm2=1.059

assign ( resid 3 and name H
	 )
       ( resid 3 and name HA
	 ) 3.3 1.3 1.3 volume=5.936 peak=21 ppm1=8.352 ppm2=3.755

assign ( resid 8 and name H
	 )
       ( resid 7 and name H
	 ) 3.0 1.1 1.1 volume=9.234 peak=22 ppm1=8.454 ppm2=7.890

assign ( resid 8 and name H
	 )
       ( resid 9 and name H
	 ) 2.9 1.0 1.0 volume=11.879 peak=23 ppm1=8.454 ppm2=7.635

assign ( resid 12 and name H
	 )
       ( resid 13 and name H
	 ) 2.8 1.0 1.0 volume=12.561 peak=24 ppm1=8.165 ppm2=7.817

assign ( resid 10 and name H
	 )
       ( resid 9 and name H
	 ) 2.9 1.1 1.1 volume=11.691 peak=25 ppm1=8.075 ppm2=7.633

assign ( resid 12 and name H
	 )
       ( resid 11 and name H
	 ) 2.8 1.0 1.0 volume=15.162 peak=26 ppm1=8.163 ppm2=8.434

assign ( resid 10 and name H
	 )
       ( resid 11 and name H
	 ) 2.9 1.0 1.0 volume=12.418 peak=27 ppm1=8.079 ppm2=8.434

assign ( resid 13 and name H
	 )
       ( resid 12 and name H
	 ) 3.0 1.1 1.1 volume=9.810 peak=28 ppm1=7.817 ppm2=8.164

assign ( resid 9 and name H
	 )
       ( resid 8 and name H
	 ) 2.9 1.0 1.0 volume=12.844 peak=29 ppm1=7.632 ppm2=8.453

assign ( resid 9 and name H
	 )
       ( resid 10 and name H
	 ) 2.9 1.0 1.0 volume=12.402 peak=30 ppm1=7.633 ppm2=8.078

assign ( resid 7 and name H
	 )
       ( resid 8 and name H
	 ) 3.2 1.3 1.3 volume=6.861 peak=31 ppm1=7.882 ppm2=8.453

assign ( resid 7 and name H
	 )
       ( resid 6 and name H
	 ) 3.2 1.3 1.3 volume=5.734 peak=32 ppm1=7.885 ppm2=7.591

assign ( resid 6 and name H
	 )
       ( resid 7 and name H
	 ) 3.3 1.3 1.3 volume=4.945 peak=33 ppm1=7.574 ppm2=7.886

assign ( resid 11 and name H
	 )
       ( resid 10 and name HA
	 ) 3.0 1.1 1.1 volume=9.322 peak=34 ppm1=8.431 ppm2=4.237

assign ( resid 8 and name H
	 )
       ( resid 5 and name HA
	 ) 2.9 1.1 1.1 volume=11.027 peak=35 ppm1=8.450 ppm2=3.860

assign ( resid 12 and name H
	 )
       ( resid 10 and name HA
	 ) 3.4 1.4 1.4 volume=4.489 peak=36 ppm1=8.164 ppm2=4.236

assign ( resid 10 and name H
	 )
       ( resid 9 and name HA
	 ) 3.0 1.1 1.1 volume=10.025 peak=37 ppm1=8.077 ppm2=3.870

assign ( resid 12 and name H
	 )
       ( resid 8 and name HA
	 ) 3.0 1.1 1.1 volume=8.982 peak=38 ppm1=8.163 ppm2=3.734

assign ( resid 12 and name H
	 )
       ( resid 11 and name HA
	 ) 3.0 1.1 1.1 volume=10.290 peak=39 ppm1=8.165 ppm2=3.558

assign ( resid 10 and name H
	 )
       ( resid 7 and name HA
	 ) 2.9 1.0 1.0 volume=12.252 peak=40 ppm1=8.077 ppm2=3.573

assign ( resid 4 and name H
	 )
       ( resid 3 and name HA
	 ) 3.0 1.1 1.1 volume=8.495 peak=41 ppm1=7.920 ppm2=3.754

assign ( resid 5 and name H
	 )
       ( resid 4 and name HA
	 ) 3.2 1.3 1.3 volume=6.681 peak=42 ppm1=7.878 ppm2=3.413

assign ( resid 9 and name H
	 )
       ( resid 6 and name HA
	 ) 2.9 1.0 1.0 volume=11.905 peak=43 ppm1=7.631 ppm2=3.693

assign ( resid 9 and name H
	 )
       ( resid 8 and name HA
	 ) 2.8 1.0 1.0 volume=11.321 peak=44 ppm1=7.633 ppm2=3.730

assign ( resid 2 and name HE1
	 )
       ( resid 2 and name HD1
	 ) 2.5 0.8 0.8 volume=31.897 peak=45 ppm1=10.616 ppm2=7.310

assign ( resid 10 and name H
	 )
       ( resid 10 and name HB3
	 ) 2.4 0.7 0.7 volume=38.566 peak=46 ppm1=8.076 ppm2=3.121

assign ( resid 15 and name H
	 )
       ( resid 14 and name HB2
	 ) 2.7 0.9 0.9 volume=16.312 peak=47 ppm1=7.783 ppm2=2.908

assign ( resid 15 and name H
	 )
       ( resid 14 and name HB3
	 ) 2.8 1.0 1.0 volume=13.415 peak=48 ppm1=7.783 ppm2=2.740

assign ( resid 10 and name HB2
	 or resid 10 and name HB3
	 )
       ( resid 10 and name HA
	 ) 2.3 0.7 0.7 volume=41.826 peak=49 ppm1=3.122 ppm2=4.241

assign ( resid 10 and name HA
	 )
       ( resid 10 and name HB2
	 or resid 10 and name HB3
	 ) 2.7 0.9 0.9 volume=17.152 peak=50 ppm1=4.237 ppm2=3.122

assign ( resid 14 and name HB2
	 )
       ( resid 14 and name HA
	 ) 2.4 0.7 0.7 volume=41.135 peak=51 ppm1=2.902 ppm2=4.228

assign ( resid 14 and name HB3
	 )
       ( resid 14 and name HA
	 ) 2.4 0.7 0.7 volume=42.559 peak=52 ppm1=2.741 ppm2=4.226

assign ( resid 14 and name HA
	 )
       ( resid 14 and name HB3
	 ) 2.8 1.0 1.0 volume=13.841 peak=53 ppm1=4.223 ppm2=2.741

assign ( resid 14 and name HA
	 )
       ( resid 14 and name HB2
	 ) 2.8 1.0 1.0 volume=14.225 peak=54 ppm1=4.222 ppm2=2.907

assign ( resid 14 and name HB2
	 )
       ( resid 14 and name HB3
	 ) 2.1 0.6 0.6 volume=68.111 peak=55 ppm1=2.902 ppm2=2.742

assign ( resid 14 and name HB3
	 )
       ( resid 14 and name HB2
	 ) 2.1 0.6 0.6 volume=73.552 peak=56 ppm1=2.741 ppm2=2.906

assign ( resid 16 and name HB2
	 or resid 16 and name HB3
	 )
       ( resid 16 and name HA
	 ) 2.2 0.6 0.6 volume=69.211 peak=57 ppm1=3.768 ppm2=4.179

assign ( resid 16 and name HA
	 )
       ( resid 16 and name HB2
	 or resid 16 and name HB3
	 ) 2.3 0.6 0.6 volume=47.713 peak=58 ppm1=4.178 ppm2=3.769

assign ( resid 9 and name HB2
	 or resid 9 and name HB3
	 )
       ( resid 9 and name HA
	 ) 2.2 0.6 0.6 volume=67.285 peak=59 ppm1=1.823 ppm2=3.870

assign ( resid 9 and name HD2
	 or resid 9 and name HD3
	 )
       ( resid 9 and name HA
	 ) 2.6 0.9 0.9 volume=22.608 peak=60 ppm1=1.531 ppm2=3.868

assign ( resid 9 and name HG3
	 )
       ( resid 9 and name HA
	 ) 2.7 0.9 0.9 volume=16.961 peak=61 ppm1=1.396 ppm2=3.868

assign ( resid 9 and name HG2
	 )
       ( resid 9 and name HA
	 ) 2.8 1.0 1.0 volume=14.846 peak=62 ppm1=1.266 ppm2=3.871

assign ( resid 9 and name HA
	 )
       ( resid 9 and name HE3
	 or resid 9 and name HE2
	 ) 3.2 1.3 1.3 volume=6.932 peak=63 ppm1=3.879 ppm2=2.804

assign ( resid 9 and name HB2
	 or resid 9 and name HB3
	 )
       ( resid 9 and name HE2
	 ) 3.3 1.4 1.4 volume=7.297 peak=64 ppm1=1.830 ppm2=2.802

assign ( resid 9 and name HB2
	 )
       ( resid 9 and name HE3
	 ) 3.3 1.4 1.4 volume=7.297 peak=64 ppm1=1.830 ppm2=2.802

assign ( resid 9 and name HD2
	 or resid 9 and name HD3
	 )
       ( resid 9 and name HE3
	 ) 2.2 0.6 0.6 volume=62.751 peak=65 ppm1=1.530 ppm2=2.800

assign ( resid 9 and name HD2
	 )
       ( resid 9 and name HE2
	 ) 2.2 0.6 0.6 volume=62.751 peak=65 ppm1=1.530 ppm2=2.800

assign ( resid 9 and name HG3
	 )
       ( resid 9 and name HE2
	 ) 2.9 1.0 1.0 volume=14.629 peak=66 ppm1=1.398 ppm2=2.802

assign ( resid 9 and name HG2
	 )
       ( resid 9 and name HE3
	 or resid 9 and name HE2
	 ) 2.6 0.9 0.9 volume=21.787 peak=67 ppm1=1.265 ppm2=2.803

assign ( resid 9 and name HA
	 )
       ( resid 9 and name HB2
	 or resid 9 and name HB3
	 ) 2.0 0.5 0.5 volume=94.513 peak=68 ppm1=3.870 ppm2=1.826

assign ( resid 9 and name HE3
	 or resid 9 and name HE2
	 )
       ( resid 9 and name HB2
	 ) 2.8 1.0 1.0 volume=16.594 peak=69 ppm1=2.798 ppm2=1.815

assign ( resid 9 and name HE2
	 )
       ( resid 9 and name HB3
	 ) 2.8 1.0 1.0 volume=16.594 peak=69 ppm1=2.798 ppm2=1.815

assign ( resid 9 and name HD2
	 or resid 9 and name HD3
	 )
       ( resid 9 and name HB2
	 ) 2.2 0.6 0.6 volume=51.471 peak=70 ppm1=1.531 ppm2=1.822

assign ( resid 9 and name HG3
	 )
       ( resid 9 and name HB2
	 or resid 9 and name HB3
	 ) 2.4 0.7 0.7 volume=34.719 peak=71 ppm1=1.398 ppm2=1.822

assign ( resid 9 and name HG2
	 )
       ( resid 9 and name HB2
	 or resid 9 and name HB3
	 ) 2.4 0.7 0.7 volume=28.930 peak=72 ppm1=1.269 ppm2=1.824

assign ( resid 9 and name HA
	 )
       ( resid 9 and name HD2
	 or resid 9 and name HD3
	 ) 2.4 0.7 0.7 volume=29.268 peak=73 ppm1=3.872 ppm2=1.527

assign ( resid 9 and name HE3
	 or resid 9 and name HE2
	 )
       ( resid 9 and name HD2
	 ) 1.9 0.5 0.5 volume=135.620 peak=74 ppm1=2.800 ppm2=1.531

assign ( resid 9 and name HE3
	 )
       ( resid 9 and name HD3
	 ) 1.9 0.5 0.5 volume=135.620 peak=74 ppm1=2.800 ppm2=1.531

assign ( resid 9 and name HB2
	 )
       ( resid 9 and name HD2
	 or resid 9 and name HD3
	 ) 2.3 0.7 0.7 volume=37.355 peak=75 ppm1=1.823 ppm2=1.534

assign ( resid 9 and name HG2
	 )
       ( resid 9 and name HD2
	 or resid 9 and name HD3
	 ) 2.0 0.5 0.5 volume=96.152 peak=76 ppm1=1.265 ppm2=1.529

assign ( resid 9 and name HG2
	 )
       ( resid 9 and name HG3
	 ) 2.1 0.6 0.6 volume=70.975 peak=77 ppm1=1.272 ppm2=1.407

assign ( resid 9 and name HG3
	 )
       ( resid 9 and name HG2
	 ) 2.1 0.5 0.5 volume=74.871 peak=78 ppm1=1.399 ppm2=1.266

assign ( resid 9 and name HD2
	 or resid 9 and name HD3
	 )
       ( resid 9 and name HG2
	 ) 2.0 0.5 0.5 volume=95.320 peak=79 ppm1=1.529 ppm2=1.267

assign ( resid 9 and name HB2
	 or resid 9 and name HB3
	 )
       ( resid 9 and name HG2
	 ) 2.6 0.8 0.8 volume=21.362 peak=80 ppm1=1.826 ppm2=1.267

assign ( resid 9 and name HE3
	 or resid 9 and name HE2
	 )
       ( resid 9 and name HG2
	 ) 2.4 0.7 0.7 volume=36.735 peak=81 ppm1=2.800 ppm2=1.269

assign ( resid 9 and name HE2
	 )
       ( resid 9 and name HG3
	 ) 2.5 0.8 0.8 volume=31.928 peak=82 ppm1=2.799 ppm2=1.413

assign ( resid 9 and name HA
	 )
       ( resid 9 and name HG2
	 ) 2.7 0.9 0.9 volume=18.683 peak=83 ppm1=3.874 ppm2=1.267

assign ( resid 12 and name HB2
	 or resid 12 and name HB3
	 )
       ( resid 12 and name HA
	 ) 2.1 0.5 0.5 volume=78.482 peak=84 ppm1=1.779 ppm2=3.839

assign ( resid 12 and name HD3
	 or resid 12 and name HD2
	 )
       ( resid 12 and name HA
	 ) 3.0 1.1 1.1 volume=8.879 peak=85 ppm1=1.659 ppm2=3.840

assign ( resid 12 and name HG3
	 )
       ( resid 12 and name HA
	 ) 2.4 0.7 0.7 volume=30.370 peak=86 ppm1=1.431 ppm2=3.841

assign ( resid 12 and name HG2
	 )
       ( resid 12 and name HA
	 ) 2.7 0.9 0.9 volume=15.659 peak=87 ppm1=1.307 ppm2=3.840

assign ( resid 12 and name HA
	 )
       ( resid 12 and name HE3
	 or resid 12 and name HE2
	 ) 3.3 1.4 1.4 volume=6.444 peak=88 ppm1=3.829 ppm2=2.812

assign ( resid 12 and name HB2
	 )
       ( resid 12 and name HE3
	 or resid 12 and name HE2
	 ) 3.0 1.2 1.2 volume=11.072 peak=89 ppm1=1.780 ppm2=2.812

assign ( resid 12 and name HD3
	 or resid 12 and name HD2
	 )
       ( resid 12 and name HE2
	 ) 3.4 1.4 1.4 volume=5.578 peak=90 ppm1=1.658 ppm2=2.809

assign ( resid 12 and name HD3
	 )
       ( resid 12 and name HE3
	 ) 3.4 1.4 1.4 volume=5.578 peak=90 ppm1=1.658 ppm2=2.809

assign ( resid 12 and name HG3
	 )
       ( resid 12 and name HE3
	 or resid 12 and name HE2
	 ) 2.6 0.8 0.8 volume=25.136 peak=91 ppm1=1.430 ppm2=2.808

assign ( resid 12 and name HG2
	 )
       ( resid 12 and name HE3
	 or resid 12 and name HE2
	 ) 2.7 0.9 0.9 volume=20.144 peak=92 ppm1=1.301 ppm2=2.813

assign ( resid 12 and name HA
	 )
       ( resid 12 and name HB2
	 or resid 12 and name HB3
	 ) 2.1 0.5 0.5 volume=88.413 peak=93 ppm1=3.830 ppm2=1.780

assign ( resid 12 and name HE3
	 or resid 12 and name HE2
	 )
       ( resid 12 and name HB2
	 ) 2.9 1.1 1.1 volume=13.703 peak=94 ppm1=2.812 ppm2=1.788

assign ( resid 12 and name HE3
	 )
       ( resid 12 and name HB3
	 ) 2.9 1.1 1.1 volume=13.703 peak=94 ppm1=2.812 ppm2=1.788

assign ( resid 12 and name HG3
	 )
       ( resid 12 and name HB2
	 or resid 12 and name HB3
	 ) 2.1 0.6 0.6 volume=61.132 peak=95 ppm1=1.434 ppm2=1.781

assign ( resid 12 and name HG2
	 )
       ( resid 12 and name HB2
	 or resid 12 and name HB3
	 ) 2.4 0.7 0.7 volume=33.853 peak=96 ppm1=1.307 ppm2=1.779

assign ( resid 12 and name HG2
	 )
       ( resid 12 and name HG3
	 ) 2.1 0.5 0.5 volume=81.363 peak=97 ppm1=1.306 ppm2=1.434

assign ( resid 12 and name HG3
	 )
       ( resid 12 and name HG2
	 ) 2.1 0.5 0.5 volume=73.065 peak=98 ppm1=1.432 ppm2=1.304

assign ( resid 12 and name HB2
	 or resid 12 and name HB3
	 )
       ( resid 12 and name HG2
	 ) 2.5 0.8 0.8 volume=28.171 peak=99 ppm1=1.785 ppm2=1.311

assign ( resid 12 and name HB2
	 or resid 12 and name HB3
	 )
       ( resid 12 and name HG3
	 ) 2.2 0.6 0.6 volume=55.881 peak=100 ppm1=1.779 ppm2=1.436

assign ( resid 12 and name HE3
	 or resid 12 and name HE2
	 )
       ( resid 12 and name HG2
	 ) 2.5 0.8 0.8 volume=25.873 peak=101 ppm1=2.812 ppm2=1.301

assign ( resid 12 and name HA
	 )
       ( resid 12 and name HG3
	 ) 2.5 0.8 0.8 volume=28.217 peak=102 ppm1=3.834 ppm2=1.442

assign ( resid 12 and name HA
	 )
       ( resid 12 and name HG2
	 ) 2.6 0.9 0.9 volume=21.228 peak=103 ppm1=3.830 ppm2=1.307

assign ( resid 8 and name HD2
	 or resid 8 and name HD3
	 )
       ( resid 8 and name HA
	 ) 3.0 1.2 1.2 volume=9.589 peak=104 ppm1=3.051 ppm2=3.736

assign ( resid 8 and name HB3
	 or resid 8 and name HB2
	 )
       ( resid 8 and name HA
	 ) 2.3 0.7 0.7 volume=40.508 peak=105 ppm1=1.799 ppm2=3.736

assign ( resid 8 and name HG3
	 )
       ( resid 8 and name HA
	 ) 2.8 1.0 1.0 volume=15.490 peak=106 ppm1=1.639 ppm2=3.735

assign ( resid 8 and name HG2
	 )
       ( resid 8 and name HA
	 ) 2.8 1.0 1.0 volume=15.028 peak=107 ppm1=1.456 ppm2=3.736

assign ( resid 8 and name HA
	 )
       ( resid 8 and name HD2
	 or resid 8 and name HD3
	 ) 2.8 1.0 1.0 volume=13.595 peak=108 ppm1=3.736 ppm2=3.051

assign ( resid 8 and name HB2
	 )
       ( resid 8 and name HD3
	 ) 2.4 0.7 0.7 volume=30.764 peak=109 ppm1=1.800 ppm2=3.048

assign ( resid 8 and name HB3
	 or resid 8 and name HB2
	 )
       ( resid 8 and name HD2
	 ) 2.4 0.7 0.7 volume=30.764 peak=109 ppm1=1.800 ppm2=3.048

assign ( resid 8 and name HG3
	 )
       ( resid 8 and name HD2
	 or resid 8 and name HD3
	 ) 2.4 0.7 0.7 volume=35.857 peak=110 ppm1=1.638 ppm2=3.051

assign ( resid 8 and name HG2
	 )
       ( resid 8 and name HD2
	 or resid 8 and name HD3
	 ) 2.3 0.7 0.7 volume=45.106 peak=111 ppm1=1.454 ppm2=3.047

assign ( resid 8 and name HG3
	 )
       ( resid 8 and name HB3
	 or resid 8 and name HB2
	 ) 2.2 0.6 0.6 volume=50.296 peak=112 ppm1=1.638 ppm2=1.795

assign ( resid 8 and name HG2
	 )
       ( resid 8 and name HB3
	 or resid 8 and name HB2
	 ) 2.2 0.6 0.6 volume=55.495 peak=113 ppm1=1.456 ppm2=1.797

assign ( resid 8 and name HB3
	 or resid 8 and name HB2
	 )
       ( resid 8 and name HG3
	 ) 2.3 0.7 0.7 volume=34.684 peak=114 ppm1=1.795 ppm2=1.639

assign ( resid 8 and name HG3
	 )
       ( resid 8 and name HG2
	 ) 2.1 0.5 0.5 volume=69.118 peak=115 ppm1=1.636 ppm2=1.457

assign ( resid 8 and name HG2
	 )
       ( resid 8 and name HG3
	 ) 2.1 0.6 0.6 volume=64.748 peak=116 ppm1=1.454 ppm2=1.639

assign ( resid 8 and name HB3
	 or resid 8 and name HB2
	 )
       ( resid 8 and name HG2
	 ) 2.2 0.6 0.6 volume=51.177 peak=117 ppm1=1.800 ppm2=1.453

assign ( resid 8 and name HD2
	 or resid 8 and name HD3
	 )
       ( resid 8 and name HG2
	 ) 2.2 0.6 0.6 volume=58.136 peak=118 ppm1=3.050 ppm2=1.456

assign ( resid 8 and name HD2
	 or resid 8 and name HD3
	 )
       ( resid 8 and name HG3
	 ) 2.3 0.6 0.6 volume=44.843 peak=119 ppm1=3.051 ppm2=1.640

assign ( resid 8 and name HD2
	 or resid 8 and name HD3
	 )
       ( resid 8 and name HB2
	 ) 2.2 0.6 0.6 volume=45.405 peak=120 ppm1=3.051 ppm2=1.793

assign ( resid 8 and name HD2
	 )
       ( resid 8 and name HB3
	 ) 2.2 0.6 0.6 volume=45.405 peak=120 ppm1=3.051 ppm2=1.793

assign ( resid 8 and name HA
	 )
       ( resid 8 and name HB3
	 or resid 8 and name HB2
	 ) 2.1 0.6 0.6 volume=63.590 peak=121 ppm1=3.736 ppm2=1.794

assign ( resid 8 and name HA
	 )
       ( resid 8 and name HG2
	 ) 2.5 0.8 0.8 volume=25.043 peak=122 ppm1=3.737 ppm2=1.454

assign ( resid 3 and name HA
	 )
       ( resid 3 and name HB#
	 ) 2.2 0.6 0.6 volume=55.901 peak=123 ppm1=3.754 ppm2=1.063

assign ( resid 3 and name HB#
	 )
       ( resid 3 and name HA
	 ) 2.1 0.6 0.6 volume=69.840 peak=124 ppm1=1.063 ppm2=3.758

assign ( resid 4 and name HB
	 )
       ( resid 4 and name HA
	 ) 2.8 1.0 1.0 volume=14.796 peak=125 ppm1=1.969 ppm2=3.413

assign ( resid 4 and name HG2#
	 )
       ( resid 4 and name HA
	 ) 2.2 0.6 0.6 volume=52.404 peak=126 ppm1=0.910 ppm2=3.414

assign ( resid 4 and name HG1#
	 )
       ( resid 4 and name HA
	 ) 2.5 0.8 0.8 volume=30.256 peak=127 ppm1=0.841 ppm2=3.415

assign ( resid 4 and name HA
	 )
       ( resid 4 and name HB
	 ) 2.6 0.8 0.8 volume=24.172 peak=128 ppm1=3.414 ppm2=1.972

assign ( resid 4 and name HA
	 )
       ( resid 4 and name HG2#
	 ) 2.1 0.6 0.6 volume=73.716 peak=129 ppm1=3.415 ppm2=0.909

assign ( resid 4 and name HA
	 )
       ( resid 4 and name HG1#
	 ) 2.2 0.6 0.6 volume=64.187 peak=130 ppm1=3.415 ppm2=0.842

assign ( resid 4 and name HG2#
	 )
       ( resid 4 and name HB
	 ) 2.1 0.6 0.6 volume=70.482 peak=131 ppm1=0.911 ppm2=1.972

assign ( resid 4 and name HG1#
	 )
       ( resid 4 and name HB
	 ) 2.1 0.6 0.6 volume=67.369 peak=132 ppm1=0.842 ppm2=1.972

assign ( resid 4 and name HG1#
	 )
       ( resid 4 and name HG2#
	 ) 1.6 0.3 0.3 volume=281.018 peak=133 ppm1=0.842 ppm2=0.912

assign ( resid 4 and name HG2#
	 )
       ( resid 4 and name HG1#
	 ) 1.7 0.3 0.3 volume=272.475 peak=134 ppm1=0.908 ppm2=0.840

assign ( resid 4 and name HB
	 )
       ( resid 4 and name HG1#
	 ) 2.2 0.6 0.6 volume=56.623 peak=135 ppm1=1.964 ppm2=0.838

assign ( resid 4 and name HB
	 )
       ( resid 4 and name HG2#
	 ) 2.3 0.7 0.7 volume=42.743 peak=136 ppm1=1.970 ppm2=0.913

assign ( resid 5 and name HD3
	 )
       ( resid 5 and name HA
	 ) 2.8 1.0 1.0 volume=17.074 peak=137 ppm1=3.042 ppm2=3.857

assign ( resid 5 and name HB3
	 or resid 5 and name HB2
	 )
       ( resid 5 and name HA
	 ) 2.1 0.6 0.6 volume=72.527 peak=138 ppm1=1.801 ppm2=3.856

assign ( resid 5 and name HG3
	 or resid 5 and name HG2
	 )
       ( resid 5 and name HA
	 ) 2.7 0.9 0.9 volume=18.747 peak=139 ppm1=1.607 ppm2=3.855

assign ( resid 5 and name HA
	 )
       ( resid 5 and name HD3
	 ) 2.7 0.9 0.9 volume=20.410 peak=140 ppm1=3.856 ppm2=3.045

assign ( resid 5 and name HG3
	 or resid 5 and name HG2
	 )
       ( resid 5 and name HD2
	 ) 2.4 0.7 0.7 volume=36.110 peak=141 ppm1=1.608 ppm2=3.044

assign ( resid 5 and name HG3
	 )
       ( resid 5 and name HD3
	 ) 2.4 0.7 0.7 volume=36.110 peak=141 ppm1=1.608 ppm2=3.044

assign ( resid 5 and name HG3
	 or resid 5 and name HG2
	 )
       ( resid 5 and name HB3
	 ) 2.3 0.6 0.6 volume=44.774 peak=142 ppm1=1.605 ppm2=1.800

assign ( resid 5 and name HG3
	 )
       ( resid 5 and name HB2
	 ) 2.3 0.6 0.6 volume=44.774 peak=142 ppm1=1.605 ppm2=1.800

assign ( resid 5 and name HB3
	 )
       ( resid 5 and name HG2
	 ) 2.3 0.7 0.7 volume=37.794 peak=143 ppm1=1.801 ppm2=1.608

assign ( resid 5 and name HB3
	 or resid 5 and name HB2
	 )
       ( resid 5 and name HG3
	 ) 2.3 0.7 0.7 volume=37.794 peak=143 ppm1=1.801 ppm2=1.608

assign ( resid 5 and name HD3
	 )
       ( resid 5 and name HB3
	 ) 2.2 0.6 0.6 volume=48.332 peak=144 ppm1=3.035 ppm2=1.803

assign ( resid 5 and name HD2
	 or resid 5 and name HD3
	 )
       ( resid 5 and name HB2
	 ) 2.2 0.6 0.6 volume=48.332 peak=144 ppm1=3.035 ppm2=1.803

assign ( resid 5 and name HD2
	 )
       ( resid 5 and name HG2
	 ) 2.2 0.6 0.6 volume=55.412 peak=145 ppm1=3.036 ppm2=1.611

assign ( resid 5 and name HD2
	 or resid 5 and name HD3
	 )
       ( resid 5 and name HG3
	 ) 2.2 0.6 0.6 volume=55.412 peak=145 ppm1=3.036 ppm2=1.611

assign ( resid 5 and name HA
	 )
       ( resid 5 and name HB3
	 or resid 5 and name HB2
	 ) 2.0 0.5 0.5 volume=105.237 peak=146 ppm1=3.857 ppm2=1.801

assign ( resid 5 and name HA
	 )
       ( resid 5 and name HG3
	 or resid 5 and name HG2
	 ) 2.5 0.8 0.8 volume=23.442 peak=147 ppm1=3.854 ppm2=1.608

assign ( resid 6 and name HB
	 )
       ( resid 6 and name HA
	 ) 2.4 0.7 0.7 volume=30.273 peak=148 ppm1=1.807 ppm2=3.693

assign ( resid 6 and name HG13
	 )
       ( resid 6 and name HA
	 ) 3.0 1.1 1.1 volume=9.855 peak=149 ppm1=1.347 ppm2=3.690

assign ( resid 6 and name HG2#
	 )
       ( resid 6 and name HA
	 ) 2.3 0.7 0.7 volume=43.591 peak=150 ppm1=0.736 ppm2=3.690

assign ( resid 6 and name HD1#
	 )
       ( resid 6 and name HA
	 ) 2.5 0.8 0.8 volume=30.474 peak=151 ppm1=0.661 ppm2=3.690

assign ( resid 6 and name HG2#
	 )
       ( resid 6 and name HB
	 ) 1.9 0.5 0.5 volume=131.459 peak=152 ppm1=0.737 ppm2=1.810

assign ( resid 6 and name HD1#
	 )
       ( resid 6 and name HB
	 ) 2.2 0.6 0.6 volume=65.653 peak=153 ppm1=0.660 ppm2=1.809

assign ( resid 6 and name HG2#
	 )
       ( resid 6 and name HG12
	 or resid 6 and name HG13
	 ) 2.8 1.0 1.0 volume=12.439 peak=154 ppm1=0.736 ppm2=1.349

assign ( resid 6 and name HD1#
	 )
       ( resid 6 and name HG12
	 or resid 6 and name HG13
	 ) 2.4 0.7 0.7 volume=35.154 peak=155 ppm1=0.662 ppm2=1.348

assign ( resid 6 and name HA
	 )
       ( resid 6 and name HG13
	 ) 2.7 0.9 0.9 volume=16.026 peak=156 ppm1=3.688 ppm2=1.349

assign ( resid 6 and name HG12
	 or resid 6 and name HG13
	 )
       ( resid 6 and name HG2#
	 ) 2.6 0.8 0.8 volume=22.271 peak=157 ppm1=1.345 ppm2=0.737

assign ( resid 6 and name HG12
	 or resid 6 and name HG13
	 )
       ( resid 6 and name HD1#
	 ) 2.6 0.8 0.8 volume=22.969 peak=158 ppm1=1.348 ppm2=0.663

assign ( resid 6 and name HB
	 )
       ( resid 6 and name HG2#
	 ) 2.1 0.6 0.6 volume=76.717 peak=159 ppm1=1.807 ppm2=0.739

assign ( resid 6 and name HB
	 )
       ( resid 6 and name HD1#
	 ) 2.3 0.6 0.6 volume=45.133 peak=160 ppm1=1.808 ppm2=0.674

assign ( resid 6 and name HA
	 )
       ( resid 6 and name HG2#
	 ) 2.2 0.6 0.6 volume=51.882 peak=161 ppm1=3.688 ppm2=0.737

assign ( resid 6 and name HA
	 )
       ( resid 6 and name HD1#
	 ) 2.4 0.7 0.7 volume=33.142 peak=162 ppm1=3.687 ppm2=0.664

assign ( resid 11 and name HB
	 )
       ( resid 11 and name HA
	 ) 2.6 0.9 0.9 volume=21.340 peak=163 ppm1=1.895 ppm2=3.559

assign ( resid 11 and name HG13
	 or resid 11 and name HG12
	 )
       ( resid 11 and name HA
	 ) 3.1 1.2 1.2 volume=8.161 peak=164 ppm1=1.235 ppm2=3.559

assign ( resid 11 and name HG2#
	 )
       ( resid 11 and name HA
	 ) 2.2 0.6 0.6 volume=66.545 peak=165 ppm1=0.832 ppm2=3.560

assign ( resid 11 and name HD1#
	 )
       ( resid 11 and name HA
	 ) 2.4 0.7 0.7 volume=41.083 peak=166 ppm1=0.741 ppm2=3.564

assign ( resid 11 and name HA
	 )
       ( resid 11 and name HB
	 ) 2.4 0.7 0.7 volume=34.283 peak=167 ppm1=3.561 ppm2=1.897

assign ( resid 11 and name HG2#
	 )
       ( resid 11 and name HB
	 ) 1.8 0.4 0.4 volume=175.472 peak=168 ppm1=0.833 ppm2=1.896

assign ( resid 11 and name HD1#
	 )
       ( resid 11 and name HB
	 ) 2.1 0.5 0.5 volume=80.853 peak=169 ppm1=0.740 ppm2=1.897

assign ( resid 11 and name HA
	 )
       ( resid 11 and name HG13
	 or resid 11 and name HG12
	 ) 2.7 0.9 0.9 volume=15.450 peak=170 ppm1=3.562 ppm2=1.236

assign ( resid 11 and name HA
	 )
       ( resid 11 and name HG2#
	 ) 2.0 0.5 0.5 volume=104.401 peak=171 ppm1=3.563 ppm2=0.831

assign ( resid 11 and name HA
	 )
       ( resid 11 and name HD1#
	 ) 2.2 0.6 0.6 volume=57.091 peak=172 ppm1=3.565 ppm2=0.745

assign ( resid 11 and name HB
	 )
       ( resid 11 and name HG2#
	 ) 2.0 0.5 0.5 volume=97.228 peak=173 ppm1=1.895 ppm2=0.832

assign ( resid 11 and name HB
	 )
       ( resid 11 and name HD1#
	 ) 2.2 0.6 0.6 volume=61.972 peak=174 ppm1=1.897 ppm2=0.744

assign ( resid 7 and name HB
	 )
       ( resid 7 and name HA
	 ) 2.5 0.8 0.8 volume=28.249 peak=175 ppm1=1.816 ppm2=3.571

assign ( resid 7 and name HG12
	 or resid 7 and name HG13
	 )
       ( resid 7 and name HA
	 ) 2.8 1.0 1.0 volume=13.179 peak=176 ppm1=1.142 ppm2=3.561

assign ( resid 7 and name HG2#
	 )
       ( resid 7 and name HA
	 ) 2.2 0.6 0.6 volume=65.983 peak=177 ppm1=0.812 ppm2=3.572

assign ( resid 7 and name HD1#
	 )
       ( resid 7 and name HA
	 ) 2.6 0.8 0.8 volume=27.006 peak=178 ppm1=0.676 ppm2=3.575

assign ( resid 7 and name HG12
	 or resid 7 and name HG13
	 )
       ( resid 7 and name HB
	 ) 2.4 0.7 0.7 volume=32.679 peak=179 ppm1=1.138 ppm2=1.815

assign ( resid 7 and name HG2#
	 )
       ( resid 7 and name HB
	 ) 2.0 0.5 0.5 volume=90.483 peak=180 ppm1=0.814 ppm2=1.816

assign ( resid 7 and name HD1#
	 )
       ( resid 7 and name HB
	 ) 2.1 0.6 0.6 volume=66.669 peak=181 ppm1=0.676 ppm2=1.818

assign ( resid 7 and name HB
	 )
       ( resid 7 and name HG2#
	 ) 2.1 0.5 0.5 volume=80.148 peak=182 ppm1=1.813 ppm2=0.817

assign ( resid 7 and name HA
	 )
       ( resid 7 and name HG12
	 or resid 7 and name HG13
	 ) 2.5 0.8 0.8 volume=25.967 peak=183 ppm1=3.555 ppm2=1.142

assign ( resid 7 and name HA
	 )
       ( resid 7 and name HG2#
	 ) 2.1 0.5 0.5 volume=60.368 peak=184 ppm1=3.568 ppm2=0.806

assign ( resid 7 and name HA
	 )
       ( resid 7 and name HD1#
	 ) 2.4 0.7 0.7 volume=31.298 peak=185 ppm1=3.576 ppm2=0.680

assign ( resid 13 and name HA3
	 )
       ( resid 13 and name HA2
	 ) 2.7 0.9 0.9 volume=22.249 peak=186 ppm1=3.941 ppm2=3.734

assign ( resid 11 and name H
	 )
       ( resid 10 and name HD#
	 ) 3.1 1.2 1.2 volume=7.016 peak=187 ppm1=8.431 ppm2=7.089

assign ( resid 10 and name H
	 )
       ( resid 10 and name HD#
	 ) 2.9 1.0 1.0 volume=12.899 peak=188 ppm1=8.078 ppm2=7.089

assign ( resid 10 and name HD#
	 )
       ( resid 11 and name H
	 ) 3.1 1.2 1.2 volume=10.996 peak=189 ppm1=7.086 ppm2=8.433

assign ( resid 10 and name HD#
	 )
       ( resid 10 and name H
	 ) 2.9 1.1 1.1 volume=14.708 peak=190 ppm1=7.086 ppm2=8.077

assign ( resid 10 and name HD#
	 )
       ( resid 10 and name HA
	 ) 2.2 0.6 0.6 volume=58.316 peak=191 ppm1=7.086 ppm2=4.235

assign ( resid 10 and name HD#
	 )
       ( resid 10 and name HB2
	 or resid 10 and name HB3
	 ) 2.0 0.5 0.5 volume=104.637 peak=192 ppm1=7.087 ppm2=3.123

assign ( resid 10 and name HD#
	 )
       ( resid 9 and name HB3
	 ) 2.5 0.8 0.8 volume=31.475 peak=193 ppm1=7.087 ppm2=1.817

assign ( resid 9 and name H
	 )
       ( resid 9 and name HB2
	 ) 2.2 0.6 0.6 volume=58.962 peak=194 ppm1=7.632 ppm2=1.819

assign ( resid 10 and name H
	 )
       ( resid 9 and name HB3
	 ) 2.5 0.8 0.8 volume=28.495 peak=195 ppm1=8.075 ppm2=1.825

assign ( resid 10 and name HD#
	 )
       ( resid 7 and name HG12
	 or resid 7 and name HG13
	 ) 2.8 1.0 1.0 volume=15.405 peak=196 ppm1=7.087 ppm2=1.140

assign ( resid 8 and name H
	 )
       ( resid 7 and name HB
	 ) 2.2 0.6 0.6 volume=51.602 peak=197 ppm1=8.451 ppm2=1.812

assign ( resid 11 and name H
	 )
       ( resid 11 and name HB
	 ) 2.5 0.8 0.8 volume=24.598 peak=198 ppm1=8.434 ppm2=1.896

assign ( resid 8 and name H
	 )
       ( resid 8 and name HG3
	 ) 2.8 1.0 1.0 volume=12.286 peak=199 ppm1=8.455 ppm2=1.646

assign ( resid 8 and name H
	 )
       ( resid 8 and name HG2
	 ) 3.0 1.1 1.1 volume=9.837 peak=200 ppm1=8.457 ppm2=1.452

assign ( resid 12 and name H
	 )
       ( resid 11 and name HB
	 ) 2.6 0.9 0.9 volume=20.575 peak=201 ppm1=8.164 ppm2=1.896

assign ( resid 12 and name H
	 )
       ( resid 12 and name HB2
	 or resid 12 and name HB3
	 ) 2.2 0.6 0.6 volume=57.983 peak=202 ppm1=8.164 ppm2=1.784

assign ( resid 12 and name H
	 )
       ( resid 9 and name HD2
	 or resid 9 and name HD3
	 ) 3.1 1.2 1.2 volume=6.625 peak=203 ppm1=8.166 ppm2=1.540

assign ( resid 4 and name H
	 )
       ( resid 4 and name HB
	 ) 2.9 1.1 1.1 volume=11.340 peak=204 ppm1=7.924 ppm2=1.971

assign ( resid 7 and name H
	 )
       ( resid 6 and name HB
	 ) 2.4 0.7 0.7 volume=29.388 peak=205 ppm1=7.882 ppm2=1.807

assign ( resid 13 and name H
	 )
       ( resid 12 and name HB2
	 or resid 12 and name HB3
	 ) 2.6 0.8 0.8 volume=22.882 peak=206 ppm1=7.818 ppm2=1.789

assign ( resid 6 and name H
	 )
       ( resid 6 and name HB
	 ) 2.6 0.8 0.8 volume=20.590 peak=207 ppm1=7.585 ppm2=1.805

assign ( resid 15 and name HB
	 )
       ( resid 15 and name HA
	 ) 2.3 0.7 0.7 volume=42.867 peak=208 ppm1=1.904 ppm2=3.855

assign ( resid 15 and name HG12
	 or resid 15 and name HG13
	 )
       ( resid 15 and name HA
	 ) 2.7 0.9 0.9 volume=18.907 peak=209 ppm1=1.193 ppm2=3.849

assign ( resid 15 and name HG2#
	 )
       ( resid 15 and name HA
	 ) 2.1 0.6 0.6 volume=79.959 peak=210 ppm1=0.825 ppm2=3.855

assign ( resid 15 and name HG12
	 or resid 15 and name HG13
	 )
       ( resid 15 and name HB
	 ) 2.7 0.9 0.9 volume=16.919 peak=211 ppm1=1.191 ppm2=1.907

assign ( resid 15 and name HG2#
	 )
       ( resid 15 and name HB
	 ) 2.0 0.5 0.5 volume=111.057 peak=212 ppm1=0.822 ppm2=1.913

assign ( resid 15 and name HD1#
	 )
       ( resid 15 and name HB
	 ) 2.2 0.6 0.6 volume=64.144 peak=213 ppm1=0.732 ppm2=1.910

assign ( resid 15 and name HA
	 )
       ( resid 15 and name HB
	 ) 2.2 0.6 0.6 volume=54.147 peak=214 ppm1=3.859 ppm2=1.904

assign ( resid 15 and name HA
	 )
       ( resid 15 and name HG12
	 or resid 15 and name HG13
	 ) 2.6 0.8 0.8 volume=23.417 peak=215 ppm1=3.854 ppm2=1.195

assign ( resid 15 and name HA
	 )
       ( resid 15 and name HG2#
	 ) 2.1 0.5 0.5 volume=86.864 peak=216 ppm1=3.855 ppm2=0.827

assign ( resid 15 and name HG12
	 or resid 15 and name HG13
	 )
       ( resid 15 and name HG2#
	 ) 2.3 0.7 0.7 volume=42.169 peak=217 ppm1=1.192 ppm2=0.824

assign ( resid 15 and name HG12
	 or resid 15 and name HG13
	 )
       ( resid 15 and name HD1#
	 ) 2.3 0.7 0.7 volume=40.961 peak=218 ppm1=1.192 ppm2=0.732

assign ( resid 15 and name HG2#
	 )
       ( resid 15 and name HG12
	 or resid 15 and name HG13
	 ) 2.2 0.6 0.6 volume=55.076 peak=219 ppm1=0.827 ppm2=1.193

assign ( resid 15 and name HD1#
	 )
       ( resid 15 and name HG12
	 or resid 15 and name HG13
	 ) 2.2 0.6 0.6 volume=63.090 peak=220 ppm1=0.735 ppm2=1.192

assign ( resid 15 and name HB
	 )
       ( resid 15 and name HG12
	 or resid 15 and name HG13
	 ) 2.6 0.9 0.9 volume=17.650 peak=221 ppm1=1.904 ppm2=1.186

assign ( resid 12 and name H
	 )
       ( resid 12 and name HG3
	 ) 2.9 1.0 1.0 volume=12.128 peak=222 ppm1=8.165 ppm2=1.435

assign ( resid 9 and name H
	 )
       ( resid 9 and name HD2
	 or resid 9 and name HD3
	 ) 3.0 1.2 1.2 volume=8.168 peak=223 ppm1=7.632 ppm2=1.547

assign ( resid 12 and name H
	 )
       ( resid 12 and name HG2
	 ) 3.1 1.2 1.2 volume=7.048 peak=224 ppm1=8.165 ppm2=1.302

assign ( resid 15 and name H
	 )
       ( resid 15 and name HG12
	 or resid 15 and name HG13
	 ) 2.7 0.9 0.9 volume=18.269 peak=225 ppm1=7.783 ppm2=1.196

assign ( resid 4 and name H
	 )
       ( resid 3 and name HB#
	 ) 2.9 1.0 1.0 volume=12.505 peak=226 ppm1=7.921 ppm2=1.065

assign ( resid 6 and name H
	 )
       ( resid 3 and name HB#
	 ) 3.1 1.2 1.2 volume=7.267 peak=227 ppm1=7.579 ppm2=1.074

assign ( resid 11 and name H
	 )
       ( resid 11 and name HD1#
	 ) 2.6 0.8 0.8 volume=23.384 peak=228 ppm1=8.436 ppm2=0.744

assign ( resid 8 and name H
	 )
       ( resid 7 and name HD1#
	 ) 2.9 1.1 1.1 volume=9.892 peak=229 ppm1=8.452 ppm2=0.679

assign ( resid 12 and name H
	 )
       ( resid 11 and name HG2#
	 ) 2.6 0.9 0.9 volume=20.606 peak=230 ppm1=8.165 ppm2=0.834

assign ( resid 12 and name H
	 )
       ( resid 11 and name HD1#
	 ) 2.9 1.0 1.0 volume=11.989 peak=231 ppm1=8.165 ppm2=0.740

assign ( resid 7 and name H
	 )
       ( resid 7 and name HD1#
	 ) 2.8 1.0 1.0 volume=13.630 peak=232 ppm1=7.892 ppm2=0.678

assign ( resid 7 and name H
	 )
       ( resid 6 and name HG2#
	 ) 2.8 1.0 1.0 volume=12.215 peak=233 ppm1=7.890 ppm2=0.732

assign ( resid 6 and name H
	 )
       ( resid 6 and name HG2#
	 ) 3.0 1.1 1.1 volume=9.064 peak=234 ppm1=7.582 ppm2=0.736

assign ( resid 9 and name H
	 )
       ( resid 6 and name HG2#
	 ) 3.1 1.2 1.2 volume=8.158 peak=235 ppm1=7.632 ppm2=0.738

assign ( resid 2 and name HE1
	 )
       ( resid 2 and name HH2
	 ) 3.5 1.5 1.5 volume=4.287 peak=236 ppm1=10.615 ppm2=6.925

assign ( resid 2 and name HE1
	 )
       ( resid 2 and name HZ2
	 ) 2.5 0.8 0.8 volume=22.280 peak=237 ppm1=10.616 ppm2=7.349

assign ( resid 2 and name HH2
	 )
       ( resid 2 and name HZ2
	 ) 1.9 0.5 0.5 volume=143.798 peak=238 ppm1=6.923 ppm2=7.353

assign ( resid 2 and name HZ3
	 )
       ( resid 2 and name HH2
	 ) 2.0 0.5 0.5 volume=133.335 peak=239 ppm1=6.814 ppm2=6.926

assign ( resid 2 and name HH2
	 )
       ( resid 2 and name HZ3
	 ) 2.0 0.5 0.5 volume=138.302 peak=240 ppm1=6.925 ppm2=6.815

assign ( resid 2 and name HZ2
	 )
       ( resid 2 and name HH2
	 ) 1.9 0.4 0.4 volume=181.427 peak=241 ppm1=7.348 ppm2=6.925

assign ( resid 14 and name H
	 )
       ( resid 14 and name HD#
	 ) 2.7 0.9 0.9 volume=17.350 peak=242 ppm1=7.841 ppm2=7.031

assign ( resid 15 and name H
	 )
       ( resid 14 and name HD#
	 ) 2.8 1.0 1.0 volume=12.059 peak=243 ppm1=7.789 ppm2=7.031

assign ( resid 14 and name HD#
	 )
       ( resid 14 and name HA
	 ) 2.2 0.6 0.6 volume=78.026 peak=244 ppm1=7.029 ppm2=4.227

assign ( resid 14 and name HD#
	 )
       ( resid 11 and name HA
	 ) 2.8 1.0 1.0 volume=18.466 peak=245 ppm1=7.030 ppm2=3.556

assign ( resid 14 and name HD#
	 )
       ( resid 14 and name HB2
	 ) 2.3 0.7 0.7 volume=52.368 peak=246 ppm1=7.029 ppm2=2.909

assign ( resid 14 and name HD#
	 )
       ( resid 14 and name HB3
	 ) 2.3 0.7 0.7 volume=48.132 peak=247 ppm1=7.029 ppm2=2.743

assign ( resid 14 and name HD#
	 )
       ( resid 11 and name HG2#
	 ) 2.3 0.6 0.6 volume=54.965 peak=248 ppm1=7.030 ppm2=0.829

assign ( resid 14 and name HD#
	 )
       ( resid 11 and name HD1#
	 ) 2.4 0.7 0.7 volume=42.790 peak=249 ppm1=7.030 ppm2=0.746

assign ( resid 10 and name HB3
	 )
       ( resid 7 and name HA
	 ) 2.6 0.9 0.9 volume=21.731 peak=250 ppm1=3.122 ppm2=3.573

assign ( resid 14 and name HB2
	 )
       ( resid 11 and name HA
	 ) 3.0 1.1 1.1 volume=9.046 peak=251 ppm1=2.902 ppm2=3.555

assign ( resid 14 and name HB3
	 )
       ( resid 11 and name HA
	 ) 3.0 1.2 1.2 volume=9.016 peak=252 ppm1=2.742 ppm2=3.555

assign ( resid 7 and name HA
	 )
       ( resid 10 and name HB3
	 ) 2.5 0.8 0.8 volume=27.953 peak=253 ppm1=3.573 ppm2=3.120

assign ( resid 11 and name HA
	 )
       ( resid 14 and name HB2
	 ) 3.0 1.2 1.2 volume=10.080 peak=254 ppm1=3.552 ppm2=2.908

assign ( resid 11 and name HA
	 )
       ( resid 14 and name HB3
	 ) 3.3 1.3 1.3 volume=6.162 peak=255 ppm1=3.555 ppm2=2.743

assign ( resid 11 and name HB
	 )
       ( resid 8 and name HA
	 ) 2.7 0.9 0.9 volume=15.696 peak=256 ppm1=1.899 ppm2=3.743

assign ( resid 11 and name HG2#
	 )
       ( resid 8 and name HA
	 ) 2.7 0.9 0.9 volume=19.559 peak=257 ppm1=0.832 ppm2=3.745

assign ( resid 6 and name HD1#
	 )
       ( resid 3 and name HA
	 ) 2.8 1.0 1.0 volume=13.484 peak=258 ppm1=0.662 ppm2=3.748

assign ( resid 8 and name HA
	 )
       ( resid 11 and name HB
	 ) 2.5 0.8 0.8 volume=25.600 peak=259 ppm1=3.737 ppm2=1.900

assign ( resid 3 and name HA
	 )
       ( resid 6 and name HD1#
	 ) 2.8 1.0 1.0 volume=14.667 peak=260 ppm1=3.747 ppm2=0.664

assign ( resid 7 and name HD1#
	 )
       ( resid 4 and name HA
	 ) 2.7 0.9 0.9 volume=24.500 peak=261 ppm1=0.675 ppm2=3.412

assign ( resid 4 and name HA
	 )
       ( resid 7 and name HD1#
	 ) 2.4 0.7 0.7 volume=33.368 peak=262 ppm1=3.409 ppm2=0.674

assign ( resid 4 and name HA
	 )
       ( resid 3 and name HB#
	 ) 3.0 1.1 1.1 volume=10.101 peak=263 ppm1=3.408 ppm2=1.064

assign ( resid 3 and name HB#
	 )
       ( resid 4 and name HA
	 ) 4.4 2.4 2.4 volume=1.515 peak=264 ppm1=1.064 ppm2=3.407

assign ( resid 5 and name HA
	 )
       ( resid 4 and name HG2#
	 ) 3.2 1.3 1.3 volume=6.824 peak=265 ppm1=3.856 ppm2=0.907

assign ( resid 4 and name HG2#
	 )
       ( resid 5 and name HA
	 ) 6.2 4.8 4.8 volume=1.767 peak=266 ppm1=0.907 ppm2=3.855

assign ( resid 8 and name HA
	 )
       ( resid 11 and name HD1#
	 ) 2.4 0.7 0.7 volume=37.553 peak=267 ppm1=3.741 ppm2=0.742

assign ( resid 11 and name HD1#
	 )
       ( resid 8 and name HA
	 ) 2.3 0.7 0.7 volume=33.595 peak=268 ppm1=0.742 ppm2=3.741

assign ( resid 7 and name HB
	 )
       ( resid 4 and name HG2#
	 ) 2.6 0.8 0.8 volume=23.381 peak=269 ppm1=1.818 ppm2=0.910

assign ( resid 4 and name HG2#
	 )
       ( resid 7 and name HB
	 ) 2.5 0.8 0.8 volume=25.406 peak=270 ppm1=0.910 ppm2=1.819

assign ( resid 3 and name HB#
	 )
       ( resid 6 and name HG12
	 ) 2.4 0.7 0.7 volume=32.347 peak=271 ppm1=1.089 ppm2=1.353

assign ( resid 6 and name HG12
	 )
       ( resid 3 and name HB#
	 ) 2.3 0.7 0.7 volume=39.456 peak=272 ppm1=1.350 ppm2=1.080

assign ( resid 7 and name HB
	 )
       ( resid 7 and name HG12
	 or resid 7 and name HG13
	 ) 2.4 0.7 0.7 volume=28.884 peak=273 ppm1=1.810 ppm2=1.133

assign ( resid 12 and name HE3
	 or resid 12 and name HE2
	 )
       ( resid 12 and name HG3
	 ) 2.5 0.8 0.8 volume=28.418 peak=274 ppm1=2.812 ppm2=1.429

assign ( resid 5 and name HB2
	 )
       ( resid 5 and name HD2
	 ) 2.5 0.8 0.8 volume=25.168 peak=275 ppm1=1.802 ppm2=3.035

assign ( resid 5 and name HB3
	 or resid 5 and name HB2
	 )
       ( resid 5 and name HD3
	 ) 2.5 0.8 0.8 volume=25.168 peak=275 ppm1=1.802 ppm2=3.035

assign ( resid 7 and name HB
	 )
       ( resid 7 and name HD1#
	 ) 2.3 0.6 0.6 volume=45.361 peak=276 ppm1=1.818 ppm2=0.676

assign ( resid 15 and name HB
	 )
       ( resid 15 and name HG2#
	 ) 2.0 0.5 0.5 volume=100.053 peak=277 ppm1=1.913 ppm2=0.822

assign ( resid 15 and name HB
	 )
       ( resid 15 and name HD1#
	 ) 2.2 0.6 0.6 volume=52.995 peak=278 ppm1=1.910 ppm2=0.731

assign ( resid 9 and name H
	 )
       ( resid 7 and name HA
	 ) 3.4 1.5 1.5 volume=5.162 peak=279 ppm1=7.630 ppm2=3.578

assign ( resid 14 and name H
	 )
       ( resid 11 and name HA
	 ) 2.8 1.0 1.0 volume=13.286 peak=280 ppm1=7.844 ppm2=3.564

assign ( resid 10 and name H
	 )
       ( resid 6 and name HA
	 ) 3.2 1.3 1.3 volume=5.611 peak=281 ppm1=8.077 ppm2=3.708

assign ( resid 8 and name H
	 )
       ( resid 4 and name HA
	 ) 3.4 1.5 1.5 volume=5.145 peak=282 ppm1=8.456 ppm2=3.410

assign ( resid 4 and name H
	 )
       ( resid 2 and name HA
	 ) 2.7 0.9 0.9 volume=18.302 peak=283 ppm1=7.919 ppm2=4.642

assign ( resid 7 and name H
	 )
       ( resid 4 and name HA
	 ) 3.1 1.2 1.2 volume=8.036 peak=284 ppm1=7.889 ppm2=3.411

assign ( resid 5 and name H
	 )
       ( resid 2 and name HA
	 ) 2.7 0.9 0.9 volume=19.447 peak=285 ppm1=7.877 ppm2=4.646

assign ( resid 12 and name H
	 )
       ( resid 10 and name HB2
	 or resid 10 and name HB3
	 ) 3.3 1.3 1.3 volume=5.799 peak=286 ppm1=8.165 ppm2=3.122

assign ( resid 15 and name H
	 )
       ( resid 11 and name HA
	 ) 3.2 1.3 1.3 volume=5.834 peak=287 ppm1=7.785 ppm2=3.558

assign ( resid 14 and name H
	 )
       ( resid 11 and name HD1#
	 ) 3.0 1.1 1.1 volume=9.711 peak=288 ppm1=7.843 ppm2=0.742

assign ( resid 5 and name HA
	 )
       ( resid 8 and name HG2
	 ) 2.3 0.6 0.6 volume=42.880 peak=289 ppm1=3.857 ppm2=1.460

assign ( resid 6 and name HA
	 )
       ( resid 9 and name HD2
	 or resid 9 and name HD3
	 ) 2.9 1.1 1.1 volume=10.504 peak=290 ppm1=3.688 ppm2=1.536

assign ( resid 8 and name HG2
	 )
       ( resid 5 and name HA
	 ) 2.5 0.8 0.8 volume=31.226 peak=291 ppm1=1.460 ppm2=3.856

Contact the webmaster for help, if required. Wednesday, May 15, 2024 11:17:41 PM GMT (wattos1)