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
	561245	3zgp	18911	cing	1-original	1	XPLOR/CNS	distance	NOE	simple

assign ( resid 98 and name HG2) ( resid 98 and name HD2) 4.0 0.8 0.8 volume=0.459 peak=1486 ppm1=-0.181 ppm2=1.246
assign ( resid 96 and name HA) ( resid 97 and name HB3) 5.2 1.0 1.0 volume=0.092 peak=2688 ppm1=3.872 ppm2=3.093
assign ( resid 109 and name HG2) ( resid 109 and name HB2) 4.2 0.8 0.8 volume=0.314 peak=595 ppm1=1.383 ppm2=1.998
assign ( resid 20 and name HA) ( resid 20 and name HD*) 4.5 0.9 0.9 volume=0.232 peak=869 ppm1=4.449 ppm2=6.210
assign ( resid 54 and name HB*) ( resid 54 and name H) 2.8 0.6 0.6 volume=3.670 peak=426 ppm1=0.947 ppm2=7.099
assign ( resid 24 and name HE2) ( resid 24 and name HB2) 2.7 0.5 0.5 volume=5.030 peak=2874 ppm1=3.021 ppm2=1.767
assign ( resid 27 and name HA) ( resid 27 and name HD2*) 3.8 0.8 0.8 volume=0.582 peak=2475 ppm1=4.490 ppm2=0.811
assign ( resid 4 and name HG3) ( resid 4 and name H) 3.3 0.7 0.7 volume=1.499 peak=2470 ppm1=2.221 ppm2=8.359
assign ( resid 117 and name HA) ( resid 116 and name HB2) 4.4 0.9 0.9 volume=0.266 peak=2132 ppm1=3.716 ppm2=1.769
assign ( resid 115 and name HA) ( resid 114 and name H) 5.0 1.0 1.0 volume=0.116 peak=583 ppm1=3.954 ppm2=7.497
assign ( resid 17 and name HG3) ( resid 17 and name HE*) 3.4 0.7 0.7 volume=1.151 peak=2226 ppm1=1.775 ppm2=1.475
assign ( resid 91 and name HA) ( resid 90 and name HB3) 4.6 0.9 0.9 volume=0.184 peak=2166 ppm1=4.547 ppm2=2.000
assign ( resid 122 and name HA) ( resid 122 and name HB3) 3.6 0.7 0.7 volume=0.779 peak=1405 ppm1=3.682 ppm2=1.678
assign ( resid 17 and name HA) ( resid 17 and name H) 4.7 0.9 0.9 volume=0.170 peak=2525 ppm1=5.630 ppm2=8.302
assign ( resid 113 and name HE*) ( resid 108 and name HB) 4.0 0.8 0.8 volume=0.474 peak=136 ppm1=2.076 ppm2=3.396
assign ( resid 113 and name HE*) ( resid 113 and name HB3) 3.7 0.7 0.7 volume=0.745 peak=1791 ppm1=2.071 ppm2=1.388
assign ( resid 106 and name HG2*) ( resid 106 and name HG13) 3.4 0.7 0.7 volume=1.213 peak=2858 ppm1=0.630 ppm2=1.320
assign ( resid 119 and name HE*) ( resid 19 and name H) 4.4 0.9 0.9 volume=0.251 peak=2342 ppm1=2.074 ppm2=9.120
assign ( resid 121 and name HA) ( resid 121 and name HG2) 3.7 0.7 0.7 volume=0.705 peak=2014 ppm1=4.426 ppm2=2.243
assign ( resid 122 and name HE3) ( resid 122 and name HD2) 3.2 0.6 0.6 volume=1.795 peak=1646 ppm1=3.093 ppm2=1.797
assign ( resid 35 and name HD3) ( resid 35 and name H) 5.0 1.0 1.0 volume=0.124 peak=1160 ppm1=1.392 ppm2=8.308
assign ( resid 114 and name HB3) ( resid 114 and name HG2) 3.8 0.8 0.8 volume=0.615 peak=1737 ppm1=1.764 ppm2=1.141
assign ( resid 57 and name HE2) ( resid 57 and name HB3) 3.3 0.7 0.7 volume=1.380 peak=2244 ppm1=2.764 ppm2=1.410
assign ( resid 113 and name HA) ( resid 112 and name HA) 4.7 0.9 0.9 volume=0.177 peak=987 ppm1=4.076 ppm2=3.844
assign ( resid 110 and name HD2) ( resid 110 and name HB3) 4.4 0.9 0.9 volume=0.265 peak=1867 ppm1=3.820 ppm2=2.122
assign ( resid 107 and name HA) ( resid 106 and name HB) 7.9 1.6 0.1 volume=0.008 peak=614 ppm1=3.986 ppm2=1.683
assign ( resid 30 and name HA) ( resid 109 and name HG3) 4.6 0.9 0.9 volume=0.193 peak=2679 ppm1=5.348 ppm2=-0.127
assign ( resid 36 and name HG3) ( resid 36 and name HB2) 4.1 0.8 0.8 volume=0.392 peak=1292 ppm1=2.023 ppm2=2.523
assign ( resid 21 and name HG2) ( resid 21 and name H) 4.2 0.8 0.8 volume=0.349 peak=1280 ppm1=1.215 ppm2=8.462
assign ( resid 120 and name HB) ( resid 121 and name HA) 4.7 0.9 0.9 volume=0.180 peak=893 ppm1=1.456 ppm2=4.430
assign ( resid 31 and name HG2*) ( resid 31 and name HG12) 2.9 0.6 0.6 volume=3.314 peak=82 ppm1=0.611 ppm2=0.792
assign ( resid 12 and name HA) ( resid 12 and name HB2) 4.1 0.8 0.8 volume=0.401 peak=763 ppm1=3.683 ppm2=1.801
assign ( resid 65 and name HG2) ( resid 65 and name HB2) 3.2 0.6 0.6 volume=1.882 peak=2827 ppm1=2.022 ppm2=2.236
assign ( resid 98 and name HA) ( resid 98 and name HG2) 4.3 0.9 0.9 volume=0.294 peak=2550 ppm1=3.096 ppm2=-0.177
assign ( resid 65 and name HB3) ( resid 66 and name HA) 3.7 0.7 0.7 volume=0.695 peak=2725 ppm1=1.827 ppm2=4.898
assign ( resid 119 and name HA) ( resid 120 and name H) 3.6 0.7 0.7 volume=0.837 peak=1707 ppm1=4.452 ppm2=7.328
assign ( resid 115 and name HB2) ( resid 27 and name HD1*) 3.3 0.7 0.7 volume=1.535 peak=450 ppm1=2.000 ppm2=0.647
assign ( resid 24 and name HB3) ( resid 23 and name HA3) 4.9 1.0 1.0 volume=0.131 peak=2605 ppm1=1.687 ppm2=4.209
assign ( resid 51 and name HB2) ( resid 52 and name H) 4.1 0.8 0.8 volume=0.388 peak=90 ppm1=2.242 ppm2=8.698
assign ( resid 70 and name HG2*) ( resid 70 and name HB) 3.1 0.6 0.6 volume=1.972 peak=1740 ppm1=0.615 ppm2=2.815
assign ( resid 4 and name HA) ( resid 5 and name HA) 4.2 0.8 0.8 volume=0.349 peak=2021 ppm1=4.303 ppm2=4.670
assign ( resid 56 and name HB2) ( resid 56 and name HB3) 4.5 0.9 0.9 volume=0.231 peak=872 ppm1=1.165 ppm2=1.563
assign ( resid 81 and name HG1*) ( resid 82 and name H) 3.7 0.7 0.7 volume=0.675 peak=1669 ppm1=0.752 ppm2=6.942
assign ( resid 103 and name HB3) ( resid 103 and name HB2) 4.0 0.8 0.8 volume=0.449 peak=1824 ppm1=3.588 ppm2=3.208
assign ( resid 125 and name HG3) ( resid 125 and name HB3) 3.9 0.8 0.8 volume=0.488 peak=2768 ppm1=2.359 ppm2=1.909
assign ( resid 24 and name HD3) ( resid 24 and name H) 4.1 0.8 0.8 volume=0.385 peak=2374 ppm1=1.658 ppm2=7.599
assign ( resid 68 and name HB3) ( resid 68 and name H) 4.2 0.8 0.8 volume=0.321 peak=503 ppm1=3.386 ppm2=9.307
assign ( resid 29 and name HB) ( resid 29 and name HA) 3.8 0.8 0.8 volume=0.621 peak=598 ppm1=3.962 ppm2=4.341
assign ( resid 51 and name HG2) ( resid 51 and name H) 3.9 0.8 0.8 volume=0.562 peak=2781 ppm1=2.286 ppm2=9.560
assign ( resid 21 and name HD2) ( resid 21 and name HE2) 3.1 0.6 0.6 volume=2.017 peak=1693 ppm1=1.751 ppm2=3.027
assign ( resid 71 and name HA) ( resid 71 and name HB2) 3.4 0.7 0.7 volume=1.252 peak=2499 ppm1=4.317 ppm2=1.731
assign ( resid 3 and name HB3) ( resid 3 and name H) 4.2 0.8 0.8 volume=0.318 peak=1201 ppm1=1.740 ppm2=8.408
assign ( resid 39 and name HB2) ( resid 38 and name HA) 4.4 0.9 0.9 volume=0.263 peak=2548 ppm1=2.005 ppm2=4.574
assign ( resid 96 and name HA) ( resid 96 and name HD1*) 3.7 0.7 0.7 volume=0.667 peak=1812 ppm1=3.872 ppm2=0.623
assign ( resid 57 and name HG2) ( resid 57 and name HE3) 3.5 0.7 0.7 volume=1.084 peak=2496 ppm1=1.104 ppm2=2.769
assign ( resid 98 and name HA) ( resid 35 and name HA) 4.7 0.9 0.9 volume=0.175 peak=80 ppm1=3.096 ppm2=5.116
assign ( resid 56 and name HB3) ( resid 56 and name HD2*) 4.1 0.8 0.8 volume=0.391 peak=2999 ppm1=1.565 ppm2=-0.587
assign ( resid 121 and name HA) ( resid 122 and name HB3) 3.9 0.8 0.8 volume=0.541 peak=2441 ppm1=4.426 ppm2=1.678
assign ( resid 125 and name HD3) ( resid 125 and name HG3) 4.6 0.9 0.9 volume=0.200 peak=2332 ppm1=4.298 ppm2=2.363
assign ( resid 39 and name HD3) ( resid 38 and name HA) 3.7 0.7 0.7 volume=0.699 peak=1598 ppm1=3.386 ppm2=4.574
assign ( resid 38 and name HA) ( resid 38 and name H) 5.3 1.1 1.1 volume=0.082 peak=3005 ppm1=4.570 ppm2=7.704
assign ( resid 3 and name HB2) ( resid 3 and name H) 3.9 0.8 0.8 volume=0.523 peak=2100 ppm1=1.930 ppm2=8.408
assign ( resid 115 and name HB3) ( resid 115 and name HA) 3.0 0.6 0.6 volume=2.480 peak=2555 ppm1=2.012 ppm2=3.958
assign ( resid 113 and name HA) ( resid 113 and name HE*) 3.9 0.8 0.8 volume=0.523 peak=1756 ppm1=4.076 ppm2=2.075
assign ( resid 63 and name HA2) ( resid 63 and name HA3) 3.2 0.6 0.6 volume=1.812 peak=1685 ppm1=3.602 ppm2=4.354
assign ( resid 90 and name HG2) ( resid 89 and name HA) 4.3 0.9 0.9 volume=0.273 peak=2828 ppm1=1.953 ppm2=5.169
assign ( resid 24 and name HD2) ( resid 24 and name HG2) 2.7 0.5 0.5 volume=4.555 peak=1955 ppm1=1.700 ppm2=1.401
assign ( resid 53 and name HB3) ( resid 52 and name HA) 8.0 1.6 0.0 volume=0.007 peak=1783 ppm1=2.761 ppm2=4.973
assign ( resid 116 and name HB3) ( resid 116 and name HG) 4.1 0.8 0.8 volume=0.366 peak=531 ppm1=1.212 ppm2=1.139
assign ( resid 108 and name HG2*) ( resid 108 and name HA) 3.1 0.6 0.6 volume=2.108 peak=1158 ppm1=0.762 ppm2=4.422
assign ( resid 6 and name HB) ( resid 7 and name HA) 5.2 1.0 1.0 volume=0.096 peak=1431 ppm1=4.189 ppm2=5.076
assign ( resid 26 and name HB*) ( resid 20 and name HD*) 4.6 0.9 0.9 volume=0.189 peak=3051 ppm1=1.258 ppm2=6.202
assign ( resid 121 and name HB2) ( resid 122 and name H) 4.0 0.8 0.8 volume=0.424 peak=103 ppm1=1.726 ppm2=9.213
assign ( resid 32 and name HG2*) ( resid 31 and name HA) 3.9 0.8 0.8 volume=0.514 peak=1923 ppm1=1.011 ppm2=5.069
assign ( resid 73 and name HB3) ( resid 73 and name HA) 4.7 0.9 0.9 volume=0.181 peak=3133 ppm1=2.880 ppm2=5.720
assign ( resid 122 and name HE2) ( resid 122 and name HD2) 2.9 0.6 0.6 volume=3.059 peak=1047 ppm1=3.008 ppm2=1.789
assign ( resid 24 and name HE3) ( resid 24 and name HB2) 2.6 0.5 0.5 volume=5.430 peak=3125 ppm1=3.011 ppm2=1.767
assign ( resid 17 and name HA) ( resid 11 and name H) 4.4 0.9 0.9 volume=0.271 peak=2445 ppm1=5.630 ppm2=8.633
assign ( resid 124 and name HG2*) ( resid 124 and name H) 3.8 0.8 0.8 volume=0.569 peak=1474 ppm1=1.562 ppm2=7.397
assign ( resid 28 and name HB2) ( resid 28 and name H) 5.0 1.0 1.0 volume=0.114 peak=1541 ppm1=1.493 ppm2=8.434
assign ( resid 26 and name HB*) ( resid 19 and name HA) 4.3 0.9 0.9 volume=0.296 peak=1905 ppm1=1.258 ppm2=5.373
assign ( resid 12 and name HD2*) ( resid 10 and name H) 4.9 1.0 1.0 volume=0.126 peak=3126 ppm1=0.392 ppm2=9.813
assign ( resid 25 and name HG2*) ( resid 27 and name H) 3.0 0.6 0.6 volume=2.415 peak=1549 ppm1=0.804 ppm2=7.636
assign ( resid 24 and name HE3) ( resid 24 and name HA) 2.9 0.6 0.6 volume=2.946 peak=56 ppm1=3.011 ppm2=4.755
assign ( resid 100 and name HD2) ( resid 100 and name HA) 3.2 0.6 0.6 volume=1.732 peak=764 ppm1=3.221 ppm2=4.771
assign ( resid 114 and name HA) ( resid 115 and name H) 4.2 0.8 0.8 volume=0.316 peak=2719 ppm1=2.838 ppm2=6.781
assign ( resid 65 and name HD2) ( resid 65 and name HD3) 3.2 0.6 0.6 volume=1.584 peak=1992 ppm1=3.694 ppm2=3.885
assign ( resid 96 and name HA) ( resid 96 and name HG) 3.8 0.8 0.8 volume=0.620 peak=2824 ppm1=3.872 ppm2=1.725
assign ( resid 97 and name HA) ( resid 96 and name HB2) 3.9 0.8 0.8 volume=0.554 peak=1629 ppm1=3.742 ppm2=1.114
assign ( resid 22 and name HA) ( resid 22 and name HB3) 3.2 0.6 0.6 volume=1.662 peak=1919 ppm1=4.169 ppm2=2.894
assign ( resid 74 and name HG2) ( resid 74 and name HA) 4.6 0.9 0.9 volume=0.187 peak=1310 ppm1=2.442 ppm2=4.993
assign ( resid 127 and name HB2) ( resid 127 and name HD1*) 3.6 0.7 0.7 volume=0.883 peak=2261 ppm1=1.878 ppm2=0.828
assign ( resid 31 and name HB) ( resid 31 and name HG13) 4.0 0.8 0.8 volume=0.456 peak=2514 ppm1=1.854 ppm2=0.482
assign ( resid 91 and name HG3) ( resid 92 and name H) 3.6 0.7 0.7 volume=0.855 peak=2660 ppm1=2.214 ppm2=8.629
assign ( resid 83 and name HG2*) ( resid 108 and name HB) 3.8 0.8 0.8 volume=0.593 peak=3122 ppm1=0.720 ppm2=3.404
assign ( resid 73 and name HB3) ( resid 73 and name HB2) 4.3 0.9 0.9 volume=0.303 peak=1638 ppm1=2.876 ppm2=3.061
assign ( resid 59 and name HG2*) ( resid 66 and name HE*) 4.3 0.9 0.9 volume=0.312 peak=630 ppm1=1.127 ppm2=6.037
assign ( resid 52 and name HB3) ( resid 51 and name HA) 3.4 0.7 0.7 volume=1.173 peak=84 ppm1=1.822 ppm2=4.981
assign ( resid 126 and name HG2*) ( resid 126 and name H) 3.9 0.8 0.8 volume=0.560 peak=2370 ppm1=0.670 ppm2=8.472
assign ( resid 37 and name HG2*) ( resid 38 and name H) 3.7 0.7 0.7 volume=0.669 peak=2941 ppm1=1.285 ppm2=7.704
assign ( resid 122 and name HG2) ( resid 122 and name H) 4.3 0.9 0.9 volume=0.275 peak=2051 ppm1=1.387 ppm2=9.207
assign ( resid 91 and name HB2) ( resid 91 and name HG2) 3.3 0.7 0.7 volume=1.471 peak=2784 ppm1=1.646 ppm2=2.127
assign ( resid 31 and name HA) ( resid 31 and name HG2*) 3.8 0.8 0.8 volume=0.584 peak=2340 ppm1=5.068 ppm2=0.611
assign ( resid 73 and name HA) ( resid 73 and name H) 4.8 1.0 1.0 volume=0.155 peak=2113 ppm1=5.714 ppm2=9.052
assign ( resid 83 and name HB) ( resid 83 and name HG12) 3.5 0.7 0.7 volume=1.083 peak=644 ppm1=1.471 ppm2=0.683
assign ( resid 98 and name HD2) ( resid 98 and name HB3) 3.3 0.7 0.7 volume=1.506 peak=666 ppm1=1.242 ppm2=1.402
assign ( resid 17 and name HG3) ( resid 17 and name HG2) 3.3 0.7 0.7 volume=1.324 peak=2968 ppm1=1.777 ppm2=2.254
assign ( resid 67 and name HG2) ( resid 67 and name HA) 3.7 0.7 0.7 volume=0.750 peak=251 ppm1=1.889 ppm2=4.974
assign ( resid 21 and name HB3) ( resid 21 and name HG2) 3.1 0.6 0.6 volume=2.260 peak=2590 ppm1=1.518 ppm2=1.223
assign ( resid 67 and name HB3) ( resid 67 and name HG2) 2.8 0.6 0.6 volume=4.018 peak=325 ppm1=1.731 ppm2=1.893
assign ( resid 90 and name HB2) ( resid 89 and name HA) 4.7 0.9 0.9 volume=0.179 peak=1660 ppm1=2.296 ppm2=5.169
assign ( resid 17 and name HG2) ( resid 18 and name H) 4.4 0.9 0.9 volume=0.271 peak=2363 ppm1=2.257 ppm2=9.645
assign ( resid 57 and name HG3) ( resid 58 and name H) 4.3 0.9 0.9 volume=0.274 peak=2511 ppm1=1.157 ppm2=6.485
assign ( resid 71 and name HB2) ( resid 71 and name HD22) 4.4 0.9 0.9 volume=0.249 peak=1500 ppm1=1.734 ppm2=6.926
assign ( resid 24 and name HG2) ( resid 24 and name HE2) 3.0 0.6 0.6 volume=2.686 peak=1479 ppm1=1.397 ppm2=3.025
assign ( resid 109 and name HB3) ( resid 109 and name HG3) 5.0 1.0 1.0 volume=0.122 peak=3145 ppm1=1.331 ppm2=-0.112
assign ( resid 16 and name HB3) ( resid 16 and name H) 4.6 0.9 0.9 volume=0.186 peak=344 ppm1=2.486 ppm2=8.068
assign ( resid 109 and name HB2) ( resid 109 and name HG3) 4.5 0.9 0.9 volume=0.229 peak=1096 ppm1=1.994 ppm2=-0.112
assign ( resid 21 and name HD2) ( resid 21 and name HG2) 3.0 0.6 0.6 volume=2.288 peak=655 ppm1=1.751 ppm2=1.219
assign ( resid 64 and name HA) ( resid 65 and name HD2) 4.0 0.8 0.8 volume=0.436 peak=1680 ppm1=4.566 ppm2=3.698
assign ( resid 67 and name HB2) ( resid 67 and name H) 3.9 0.8 0.8 volume=0.508 peak=238 ppm1=1.691 ppm2=8.226
assign ( resid 106 and name HG13) ( resid 106 and name HB) 4.2 0.8 0.8 volume=0.326 peak=2326 ppm1=1.312 ppm2=1.683
assign ( resid 121 and name HA) ( resid 122 and name H) 3.6 0.7 0.7 volume=0.808 peak=1257 ppm1=4.425 ppm2=9.198
assign ( resid 4 and name HA) ( resid 4 and name HG3) 3.0 0.6 0.6 volume=2.372 peak=1874 ppm1=4.303 ppm2=2.225
assign ( resid 70 and name HG2*) ( resid 84 and name HB3) 3.7 0.7 0.7 volume=0.693 peak=2259 ppm1=0.619 ppm2=3.735
assign ( resid 41 and name HD2) ( resid 40 and name HG2*) 4.1 0.8 0.8 volume=0.376 peak=943 ppm1=3.435 ppm2=1.120
assign ( resid 37 and name HA) ( resid 37 and name HB) 3.1 0.6 0.6 volume=2.261 peak=2006 ppm1=4.264 ppm2=4.427
assign ( resid 52 and name HG2) ( resid 52 and name HA) 4.4 0.9 0.9 volume=0.254 peak=1451 ppm1=2.064 ppm2=4.972
assign ( resid 25 and name HG1*) ( resid 18 and name HE3) 4.2 0.8 0.8 volume=0.337 peak=1826 ppm1=0.681 ppm2=7.910
assign ( resid 129 and name HB3) ( resid 129 and name HA) 3.0 0.6 0.6 volume=2.320 peak=302 ppm1=2.981 ppm2=4.788
assign ( resid 3 and name HA) ( resid 4 and name H) 3.2 0.6 0.6 volume=1.611 peak=1107 ppm1=4.348 ppm2=8.359
assign ( resid 19 and name HA) ( resid 19 and name HE*) 4.6 0.9 0.9 volume=0.183 peak=894 ppm1=5.369 ppm2=6.509
assign ( resid 58 and name HA2) ( resid 58 and name H) 4.2 0.8 0.8 volume=0.329 peak=439 ppm1=3.289 ppm2=6.493
assign ( resid 41 and name HG3) ( resid 41 and name HB3) 2.7 0.5 0.5 volume=4.590 peak=2883 ppm1=1.970 ppm2=2.006
assign ( resid 18 and name HB2) ( resid 18 and name HB3) 3.9 0.8 0.8 volume=0.497 peak=1175 ppm1=2.665 ppm2=3.275
assign ( resid 37 and name HB) ( resid 37 and name HA) 3.5 0.7 0.7 volume=1.086 peak=1242 ppm1=4.423 ppm2=4.276
assign ( resid 17 and name HB3) ( resid 17 and name HA) 4.9 1.0 1.0 volume=0.140 peak=2520 ppm1=1.643 ppm2=5.631
assign ( resid 96 and name HA) ( resid 97 and name HA) 5.1 1.0 1.0 volume=0.102 peak=2783 ppm1=3.872 ppm2=3.744
assign ( resid 119 and name HG3) ( resid 19 and name HE*) 4.1 0.8 0.8 volume=0.385 peak=2702 ppm1=2.564 ppm2=6.502
assign ( resid 23 and name HA2) ( resid 22 and name HA) 3.3 0.7 0.7 volume=1.408 peak=1095 ppm1=3.759 ppm2=4.173
assign ( resid 54 and name HB*) ( resid 55 and name H) 2.9 0.6 0.6 volume=2.999 peak=2203 ppm1=0.948 ppm2=8.440
assign ( resid 21 and name HE2) ( resid 21 and name HA) 4.9 1.0 1.0 volume=0.139 peak=1674 ppm1=3.022 ppm2=4.531
assign ( resid 113 and name HE*) ( resid 114 and name HA) 3.8 0.8 0.8 volume=0.626 peak=270 ppm1=2.075 ppm2=2.837
assign ( resid 70 and name HB) ( resid 70 and name HG2*) 3.6 0.7 0.7 volume=0.805 peak=1535 ppm1=2.811 ppm2=0.619
assign ( resid 24 and name HE2) ( resid 24 and name HD3) 2.4 0.5 0.5 volume=8.694 peak=2937 ppm1=3.021 ppm2=1.660
assign ( resid 88 and name HB3) ( resid 88 and name HD1) 4.1 0.8 0.8 volume=0.365 peak=2452 ppm1=3.327 ppm2=7.044
assign ( resid 55 and name HB) ( resid 56 and name H) 4.5 0.9 0.9 volume=0.224 peak=768 ppm1=3.750 ppm2=8.269
assign ( resid 35 and name HE3) ( resid 35 and name HB2) 4.4 0.9 0.9 volume=0.243 peak=2318 ppm1=2.833 ppm2=2.139
assign ( resid 82 and name HA2) ( resid 81 and name HA) 4.9 1.0 1.0 volume=0.127 peak=744 ppm1=3.669 ppm2=3.723
assign ( resid 76 and name HG2*) ( resid 83 and name H) 3.9 0.8 0.8 volume=0.523 peak=181 ppm1=0.656 ppm2=8.233
assign ( resid 128 and name HG1*) ( resid 129 and name H) 3.4 0.7 0.7 volume=1.162 peak=3008 ppm1=0.811 ppm2=8.810
assign ( resid 65 and name HG3) ( resid 65 and name HD3) 3.2 0.6 0.6 volume=1.662 peak=104 ppm1=2.000 ppm2=3.895
assign ( resid 68 and name HB2) ( resid 68 and name H) 4.1 0.8 0.8 volume=0.365 peak=2777 ppm1=3.341 ppm2=9.310
assign ( resid 88 and name HB2) ( resid 88 and name HE3) 4.9 1.0 1.0 volume=0.130 peak=1696 ppm1=3.456 ppm2=8.030
assign ( resid 61 and name HB2) ( resid 61 and name HA) 3.2 0.6 0.6 volume=1.823 peak=2327 ppm1=2.704 ppm2=4.396
assign ( resid 86 and name HA) ( resid 86 and name H) 4.5 0.9 0.9 volume=0.229 peak=2754 ppm1=3.614 ppm2=8.049
assign ( resid 21 and name HD3) ( resid 21 and name HB3) 2.8 0.6 0.6 volume=3.545 peak=2421 ppm1=1.602 ppm2=1.524
assign ( resid 20 and name HA) ( resid 20 and name HE*) 4.9 1.0 1.0 volume=0.129 peak=1129 ppm1=4.449 ppm2=6.388
assign ( resid 110 and name HD3) ( resid 110 and name HA) 4.6 0.9 0.9 volume=0.207 peak=3184 ppm1=3.914 ppm2=3.998
assign ( resid 96 and name HD1*) ( resid 96 and name HB3) 2.8 0.6 0.6 volume=3.496 peak=2377 ppm1=0.619 ppm2=2.103
assign ( resid 9 and name HA) ( resid 10 and name H) 3.7 0.7 0.7 volume=0.677 peak=334 ppm1=5.765 ppm2=9.794
assign ( resid 66 and name HB2) ( resid 66 and name HB3) 4.0 0.8 0.8 volume=0.471 peak=1741 ppm1=2.589 ppm2=2.880
assign ( resid 66 and name HB2) ( resid 66 and name H) 4.6 0.9 0.9 volume=0.189 peak=2794 ppm1=2.592 ppm2=8.085
assign ( resid 27 and name HD2*) ( resid 27 and name HG) 2.8 0.6 0.6 volume=4.086 peak=1627 ppm1=0.806 ppm2=1.533
assign ( resid 100 and name HB2) ( resid 89 and name HE22) 4.5 0.9 0.9 volume=0.230 peak=1191 ppm1=2.282 ppm2=7.162
assign ( resid 114 and name HA) ( resid 114 and name HG2) 3.7 0.7 0.7 volume=0.749 peak=1968 ppm1=2.847 ppm2=1.140
assign ( resid 71 and name HB3) ( resid 72 and name H) 4.3 0.9 0.9 volume=0.276 peak=2503 ppm1=2.392 ppm2=10.276
assign ( resid 98 and name HE3) ( resid 97 and name HH2) 4.1 0.8 0.8 volume=0.401 peak=1184 ppm1=2.744 ppm2=7.205
assign ( resid 36 and name HB2) ( resid 36 and name HG2) 4.1 0.8 0.8 volume=0.393 peak=2677 ppm1=2.514 ppm2=1.848
assign ( resid 90 and name HD3) ( resid 89 and name HA) 3.8 0.8 0.8 volume=0.590 peak=2635 ppm1=4.001 ppm2=5.169
assign ( resid 90 and name HD2) ( resid 90 and name HB2) 4.7 0.9 0.9 volume=0.176 peak=1396 ppm1=4.088 ppm2=2.299
assign ( resid 35 and name HD3) ( resid 35 and name HG3) 3.8 0.8 0.8 volume=0.566 peak=1371 ppm1=1.394 ppm2=1.180
assign ( resid 83 and name HG2*) ( resid 84 and name HA) 4.1 0.8 0.8 volume=0.362 peak=1176 ppm1=0.720 ppm2=5.597
assign ( resid 13 and name HB3) ( resid 14 and name H) 3.8 0.8 0.8 volume=0.568 peak=927 ppm1=2.061 ppm2=7.708
assign ( resid 76 and name HD1*) ( resid 45 and name H) 4.6 0.9 0.9 volume=0.193 peak=2070 ppm1=0.176 ppm2=9.233
assign ( resid 122 and name HD3) ( resid 122 and name H) 4.7 0.9 0.9 volume=0.176 peak=2378 ppm1=1.804 ppm2=9.213
assign ( resid 12 and name HD1*) ( resid 33 and name HG) 4.6 0.9 0.9 volume=0.197 peak=1072 ppm1=0.544 ppm2=5.911
assign ( resid 108 and name HA) ( resid 109 and name HA) 3.7 0.7 0.7 volume=0.763 peak=2218 ppm1=4.420 ppm2=4.412
assign ( resid 71 and name HB3) ( resid 71 and name HD21) 3.9 0.8 0.8 volume=0.491 peak=505 ppm1=2.392 ppm2=7.444
assign ( resid 106 and name HB) ( resid 106 and name H) 4.7 0.9 0.9 volume=0.176 peak=3076 ppm1=1.679 ppm2=8.582
assign ( resid 76 and name HD1*) ( resid 45 and name HB2) 3.9 0.8 0.8 volume=0.511 peak=1018 ppm1=0.174 ppm2=4.122
assign ( resid 9 and name HA) ( resid 9 and name HG3) 4.0 0.8 0.8 volume=0.484 peak=1179 ppm1=5.764 ppm2=2.546
assign ( resid 90 and name HD3) ( resid 90 and name HB2) 4.3 0.9 0.9 volume=0.299 peak=2840 ppm1=4.002 ppm2=2.298
assign ( resid 119 and name HE*) ( resid 119 and name HB2) 3.0 0.6 0.6 volume=2.607 peak=298 ppm1=2.070 ppm2=1.974
assign ( resid 98 and name HG2) ( resid 98 and name HA) 4.5 0.9 0.9 volume=0.209 peak=1916 ppm1=-0.181 ppm2=3.100
assign ( resid 76 and name HG2*) ( resid 77 and name H) 4.6 0.9 0.9 volume=0.203 peak=1472 ppm1=0.656 ppm2=7.553
assign ( resid 16 and name HB3) ( resid 16 and name HD2) 4.6 0.9 0.9 volume=0.187 peak=947 ppm1=2.486 ppm2=4.411
assign ( resid 56 and name HB3) ( resid 56 and name HD1*) 4.0 0.8 0.8 volume=0.482 peak=2884 ppm1=1.567 ppm2=-0.084
assign ( resid 89 and name HA) ( resid 90 and name HD3) 3.9 0.8 0.8 volume=0.540 peak=868 ppm1=5.165 ppm2=4.005
assign ( resid 119 and name HE*) ( resid 118 and name H) 4.1 0.8 0.8 volume=0.397 peak=465 ppm1=2.073 ppm2=7.198
assign ( resid 28 and name HB3) ( resid 28 and name HG3) 3.5 0.7 0.7 volume=1.003 peak=881 ppm1=1.918 ppm2=2.019
assign ( resid 24 and name HB2) ( resid 24 and name HD2) 2.6 0.5 0.5 volume=6.407 peak=809 ppm1=1.763 ppm2=1.704
assign ( resid 115 and name HA) ( resid 115 and name H) 3.5 0.7 0.7 volume=1.008 peak=2981 ppm1=3.954 ppm2=6.781
assign ( resid 69 and name HG2) ( resid 69 and name HB2) 2.7 0.5 0.5 volume=4.824 peak=602 ppm1=2.177 ppm2=2.232
assign ( resid 70 and name HG2*) ( resid 73 and name H) 4.1 0.8 0.8 volume=0.372 peak=3173 ppm1=0.621 ppm2=9.041
assign ( resid 106 and name HB) ( resid 106 and name HA) 4.8 1.0 1.0 volume=0.156 peak=2746 ppm1=1.679 ppm2=3.906
assign ( resid 103 and name HB3) ( resid 104 and name HA3) 4.0 0.8 0.8 volume=0.460 peak=852 ppm1=3.585 ppm2=3.183
assign ( resid 41 and name HG2) ( resid 41 and name HB3) 4.2 0.8 0.8 volume=0.340 peak=1843 ppm1=1.722 ppm2=2.006
assign ( resid 100 and name HD3) ( resid 96 and name HA) 4.7 0.9 0.9 volume=0.167 peak=2056 ppm1=3.106 ppm2=3.884
assign ( resid 36 and name HB2) ( resid 36 and name HD3) 4.6 0.9 0.9 volume=0.191 peak=1362 ppm1=2.514 ppm2=3.727
assign ( resid 84 and name HA) ( resid 84 and name HB3) 4.2 0.8 0.8 volume=0.353 peak=1098 ppm1=5.593 ppm2=3.734
assign ( resid 99 and name HB) ( resid 100 and name HA) 3.8 0.8 0.8 volume=0.599 peak=1679 ppm1=4.152 ppm2=4.773
assign ( resid 119 and name HG3) ( resid 119 and name HA) 3.6 0.7 0.7 volume=0.797 peak=190 ppm1=2.560 ppm2=4.461
assign ( resid 37 and name HA) ( resid 37 and name H) 3.9 0.8 0.8 volume=0.563 peak=2451 ppm1=4.264 ppm2=7.290
assign ( resid 19 and name HB2) ( resid 19 and name HA) 5.1 1.0 1.0 volume=0.105 peak=578 ppm1=2.701 ppm2=5.373
assign ( resid 122 and name HB2) ( resid 122 and name HD2) 3.2 0.6 0.6 volume=1.603 peak=1414 ppm1=1.687 ppm2=1.789
assign ( resid 23 and name HA3) ( resid 22 and name HA) 3.2 0.6 0.6 volume=1.733 peak=817 ppm1=4.205 ppm2=4.173
assign ( resid 83 and name HG12) ( resid 83 and name H) 4.8 1.0 1.0 volume=0.152 peak=27 ppm1=0.679 ppm2=8.218
assign ( resid 25 and name HG2*) ( resid 18 and name HE1) 3.8 0.8 0.8 volume=0.601 peak=2087 ppm1=0.803 ppm2=10.287
assign ( resid 90 and name HD3) ( resid 90 and name HG3) 3.9 0.8 0.8 volume=0.551 peak=1632 ppm1=4.001 ppm2=2.078
assign ( resid 66 and name HB3) ( resid 66 and name H) 4.6 0.9 0.9 volume=0.194 peak=47 ppm1=2.874 ppm2=8.085
assign ( resid 37 and name HA) ( resid 38 and name H) 4.0 0.8 0.8 volume=0.463 peak=19 ppm1=4.264 ppm2=7.703
assign ( resid 93 and name HA2) ( resid 92 and name HB2) 4.9 1.0 1.0 volume=0.126 peak=778 ppm1=4.390 ppm2=2.315
assign ( resid 35 and name HD2) ( resid 35 and name HB2) 3.9 0.8 0.8 volume=0.517 peak=25 ppm1=1.598 ppm2=2.129
assign ( resid 10 and name HG2*) ( resid 11 and name H) 3.7 0.7 0.7 volume=0.710 peak=2764 ppm1=0.688 ppm2=8.630
assign ( resid 52 and name HB2) ( resid 51 and name HA) 4.0 0.8 0.8 volume=0.448 peak=2145 ppm1=1.925 ppm2=4.981
assign ( resid 60 and name HB3) ( resid 59 and name HA) 3.8 0.8 0.8 volume=0.644 peak=1977 ppm1=3.070 ppm2=4.764
assign ( resid 20 and name HA) ( resid 19 and name HB3) 3.6 0.7 0.7 volume=0.795 peak=1410 ppm1=4.449 ppm2=2.567
assign ( resid 4 and name HB3) ( resid 5 and name HA) 4.7 0.9 0.9 volume=0.173 peak=1465 ppm1=1.857 ppm2=4.670
assign ( resid 108 and name HG2*) ( resid 108 and name HB) 3.3 0.7 0.7 volume=1.405 peak=587 ppm1=0.762 ppm2=3.407
assign ( resid 114 and name HA) ( resid 114 and name H) 3.8 0.8 0.8 volume=0.607 peak=1059 ppm1=2.843 ppm2=7.491
assign ( resid 14 and name HB3) ( resid 14 and name H) 4.3 0.9 0.9 volume=0.300 peak=2001 ppm1=2.264 ppm2=7.708
assign ( resid 110 and name HB2) ( resid 109 and name HA) 5.2 1.0 1.0 volume=0.094 peak=1911 ppm1=2.642 ppm2=4.419
assign ( resid 100 and name HD3) ( resid 96 and name HB2) 4.0 0.8 0.8 volume=0.463 peak=2585 ppm1=3.106 ppm2=1.124
assign ( resid 4 and name HB2) ( resid 5 and name HA) 4.8 1.0 1.0 volume=0.155 peak=2621 ppm1=2.053 ppm2=4.670
assign ( resid 115 and name HG2) ( resid 115 and name H) 3.2 0.6 0.6 volume=1.584 peak=355 ppm1=2.195 ppm2=6.781
assign ( resid 119 and name HG3) ( resid 120 and name H) 3.7 0.7 0.7 volume=0.764 peak=2262 ppm1=2.558 ppm2=7.328
assign ( resid 81 and name HB) ( resid 80 and name HA2) 4.7 0.9 0.9 volume=0.170 peak=2831 ppm1=1.600 ppm2=4.756
assign ( resid 2 and name HA) ( resid 2 and name HB3) 4.1 0.8 0.8 volume=0.373 peak=2361 ppm1=4.628 ppm2=3.133
assign ( resid 72 and name HB2) ( resid 72 and name HE*) 5.0 1.0 1.0 volume=0.122 peak=842 ppm1=2.738 ppm2=6.490
assign ( resid 67 and name HB2) ( resid 67 and name HG3) 3.2 0.6 0.6 volume=1.709 peak=1870 ppm1=1.691 ppm2=1.957
assign ( resid 17 and name HB3) ( resid 17 and name H) 4.7 0.9 0.9 volume=0.172 peak=99 ppm1=1.643 ppm2=8.303
assign ( resid 52 and name HB3) ( resid 53 and name HA) 4.2 0.8 0.8 volume=0.340 peak=1997 ppm1=1.822 ppm2=4.413
assign ( resid 121 and name HB3) ( resid 121 and name HG3) 3.3 0.7 0.7 volume=1.489 peak=3105 ppm1=2.068 ppm2=2.392
assign ( resid 65 and name HG2) ( resid 65 and name HB3) 3.0 0.6 0.6 volume=2.662 peak=1499 ppm1=2.022 ppm2=1.831
assign ( resid 4 and name HB3) ( resid 4 and name H) 3.6 0.7 0.7 volume=0.870 peak=61 ppm1=1.858 ppm2=8.370
assign ( resid 30 and name HB2) ( resid 31 and name H) 4.9 1.0 1.0 volume=0.127 peak=1408 ppm1=2.573 ppm2=7.634
assign ( resid 121 and name HB2) ( resid 120 and name HA) 4.0 0.8 0.8 volume=0.436 peak=2435 ppm1=1.726 ppm2=3.699
assign ( resid 56 and name HB3) ( resid 56 and name HG) 3.9 0.8 0.8 volume=0.522 peak=3042 ppm1=1.565 ppm2=1.189
assign ( resid 44 and name HG2*) ( resid 44 and name HA) 2.9 0.6 0.6 volume=3.312 peak=1796 ppm1=0.875 ppm2=4.411
assign ( resid 95 and name HB2) ( resid 94 and name HA2) 4.4 0.9 0.9 volume=0.243 peak=1560 ppm1=2.714 ppm2=3.973
assign ( resid 12 and name HA) ( resid 11 and name H) 5.2 1.0 1.0 volume=0.095 peak=2934 ppm1=3.683 ppm2=8.630
assign ( resid 35 and name HD3) ( resid 35 and name HE2) 3.8 0.8 0.8 volume=0.640 peak=1482 ppm1=1.391 ppm2=2.912
assign ( resid 67 and name HG3) ( resid 67 and name HB3) 3.0 0.6 0.6 volume=2.618 peak=262 ppm1=1.961 ppm2=1.735
assign ( resid 6 and name HG2*) ( resid 21 and name HB2) 3.8 0.8 0.8 volume=0.576 peak=2046 ppm1=1.582 ppm2=1.108
assign ( resid 57 and name HB2) ( resid 57 and name HE2) 4.4 0.9 0.9 volume=0.259 peak=3172 ppm1=1.596 ppm2=2.767
assign ( resid 56 and name HD2*) ( resid 56 and name HB3) 3.4 0.7 0.7 volume=1.214 peak=3118 ppm1=-0.590 ppm2=1.568
assign ( resid 69 and name HB3) ( resid 69 and name HA) 3.4 0.7 0.7 volume=1.220 peak=3115 ppm1=1.902 ppm2=4.910
assign ( resid 76 and name HD1*) ( resid 81 and name HA) 3.9 0.8 0.8 volume=0.527 peak=100 ppm1=0.174 ppm2=3.725
assign ( resid 69 and name HD2) ( resid 68 and name HB3) 4.3 0.9 0.9 volume=0.276 peak=1533 ppm1=3.780 ppm2=3.391
assign ( resid 9 and name HA) ( resid 19 and name HA) 5.0 1.0 1.0 volume=0.123 peak=437 ppm1=5.765 ppm2=5.354
assign ( resid 116 and name HB2) ( resid 117 and name H) 4.5 0.9 0.9 volume=0.217 peak=1666 ppm1=1.765 ppm2=8.826
assign ( resid 6 and name HA) ( resid 6 and name H) 4.6 0.9 0.9 volume=0.195 peak=308 ppm1=5.212 ppm2=7.711
assign ( resid 30 and name HA) ( resid 31 and name H) 3.9 0.8 0.8 volume=0.512 peak=1607 ppm1=5.347 ppm2=7.634
assign ( resid 63 and name HA3) ( resid 63 and name H) 3.6 0.7 0.7 volume=0.793 peak=1372 ppm1=4.355 ppm2=8.156
assign ( resid 90 and name HB2) ( resid 91 and name HA) 3.8 0.8 0.8 volume=0.625 peak=2461 ppm1=2.296 ppm2=4.551
assign ( resid 24 and name HB3) ( resid 24 and name HA) 3.3 0.7 0.7 volume=1.339 peak=1757 ppm1=1.687 ppm2=4.755
assign ( resid 56 and name HA) ( resid 57 and name H) 3.4 0.7 0.7 volume=1.155 peak=2830 ppm1=4.048 ppm2=7.974
assign ( resid 71 and name HB2) ( resid 70 and name HA) 4.3 0.9 0.9 volume=0.284 peak=1689 ppm1=1.733 ppm2=4.747
assign ( resid 56 and name HD2*) ( resid 73 and name HH2) 4.0 0.8 0.8 volume=0.428 peak=2889 ppm1=-0.590 ppm2=7.682
assign ( resid 23 and name HA3) ( resid 22 and name H) 5.3 1.1 1.1 volume=0.082 peak=2404 ppm1=4.205 ppm2=8.656
assign ( resid 99 and name HB) ( resid 99 and name HA) 3.0 0.6 0.6 volume=2.319 peak=2068 ppm1=4.152 ppm2=4.490
assign ( resid 116 and name HB3) ( resid 116 and name HD1*) 3.6 0.7 0.7 volume=0.807 peak=2540 ppm1=1.212 ppm2=0.607
assign ( resid 116 and name HA) ( resid 115 and name HB3) 4.5 0.9 0.9 volume=0.224 peak=2346 ppm1=3.550 ppm2=2.016
assign ( resid 19 and name HA) ( resid 116 and name HD2*) 4.5 0.9 0.9 volume=0.232 peak=1701 ppm1=5.371 ppm2=0.371
assign ( resid 21 and name HE3) ( resid 21 and name HD3) 2.8 0.6 0.6 volume=4.158 peak=1630 ppm1=2.997 ppm2=1.606
assign ( resid 70 and name HG1*) ( resid 70 and name HG2*) 2.6 0.5 0.5 volume=5.596 peak=820 ppm1=1.013 ppm2=0.621
assign ( resid 55 and name HB) ( resid 57 and name HE3) 3.8 0.8 0.8 volume=0.629 peak=222 ppm1=3.747 ppm2=2.768
assign ( resid 90 and name HG3) ( resid 90 and name HB2) 3.4 0.7 0.7 volume=1.196 peak=1743 ppm1=2.074 ppm2=2.300
assign ( resid 122 and name HB2) ( resid 122 and name HA) 3.9 0.8 0.8 volume=0.559 peak=2339 ppm1=1.686 ppm2=3.696
assign ( resid 41 and name HG3) ( resid 40 and name HA) 4.5 0.9 0.9 volume=0.210 peak=631 ppm1=1.970 ppm2=4.385
assign ( resid 101 and name HA3) ( resid 101 and name H) 5.0 1.0 1.0 volume=0.116 peak=2602 ppm1=4.337 ppm2=7.201
assign ( resid 128 and name HG2*) ( resid 128 and name HB) 3.2 0.6 0.6 volume=1.761 peak=3176 ppm1=0.796 ppm2=2.427
assign ( resid 100 and name HG3) ( resid 100 and name HB3) 3.2 0.6 0.6 volume=1.849 peak=256 ppm1=1.668 ppm2=1.485
assign ( resid 94 and name HA2) ( resid 94 and name H) 3.9 0.8 0.8 volume=0.510 peak=2977 ppm1=3.969 ppm2=8.652
assign ( resid 40 and name HB) ( resid 40 and name H) 4.3 0.9 0.9 volume=0.273 peak=142 ppm1=3.673 ppm2=8.624
assign ( resid 69 and name HB3) ( resid 70 and name H) 3.4 0.7 0.7 volume=1.142 peak=1928 ppm1=1.900 ppm2=8.651
assign ( resid 4 and name HG2) ( resid 4 and name HA) 2.9 0.6 0.6 volume=3.178 peak=387 ppm1=2.229 ppm2=4.307
assign ( resid 62 and name HB3) ( resid 62 and name H) 3.9 0.8 0.8 volume=0.550 peak=2944 ppm1=3.093 ppm2=7.735
assign ( resid 36 and name HB2) ( resid 36 and name HG3) 3.3 0.7 0.7 volume=1.416 peak=3189 ppm1=2.514 ppm2=2.026
assign ( resid 69 and name HG2) ( resid 69 and name HA) 3.7 0.7 0.7 volume=0.704 peak=1893 ppm1=2.177 ppm2=4.919
assign ( resid 114 and name HB2) ( resid 114 and name HE2) 4.4 0.9 0.9 volume=0.263 peak=2644 ppm1=1.798 ppm2=2.989
assign ( resid 35 and name HB3) ( resid 35 and name HG3) 4.2 0.8 0.8 volume=0.323 peak=2701 ppm1=1.500 ppm2=1.181
assign ( resid 57 and name HG3) ( resid 57 and name HD2) 3.1 0.6 0.6 volume=2.041 peak=1426 ppm1=1.157 ppm2=1.501
assign ( resid 35 and name HG3) ( resid 35 and name H) 4.8 1.0 1.0 volume=0.156 peak=2263 ppm1=1.177 ppm2=8.308
assign ( resid 36 and name HB3) ( resid 36 and name HG3) 2.7 0.5 0.5 volume=4.669 peak=2142 ppm1=1.994 ppm2=2.026
assign ( resid 2 and name HB2) ( resid 2 and name HD2) 3.8 0.8 0.8 volume=0.589 peak=760 ppm1=3.043 ppm2=7.062
assign ( resid 15 and name HG2) ( resid 15 and name HB3) 5.4 1.1 1.1 volume=0.076 peak=1108 ppm1=2.089 ppm2=2.530
assign ( resid 68 and name HB3) ( resid 69 and name HD2) 4.4 0.9 0.9 volume=0.265 peak=2731 ppm1=3.387 ppm2=3.784
assign ( resid 29 and name HA) ( resid 30 and name HB3) 4.7 0.9 0.9 volume=0.173 peak=2276 ppm1=4.337 ppm2=2.676
assign ( resid 39 and name HD2) ( resid 39 and name HA) 4.7 0.9 0.9 volume=0.164 peak=1641 ppm1=3.408 ppm2=4.160
assign ( resid 67 and name HG2) ( resid 68 and name H) 4.2 0.8 0.8 volume=0.357 peak=1527 ppm1=1.887 ppm2=9.308
assign ( resid 98 and name HD3) ( resid 98 and name H) 3.9 0.8 0.8 volume=0.494 peak=2707 ppm1=1.257 ppm2=6.526
assign ( resid 7 and name HB3) ( resid 7 and name HD*) 4.2 0.8 0.8 volume=0.325 peak=1210 ppm1=3.510 ppm2=6.636
assign ( resid 110 and name HG2) ( resid 110 and name HB2) 4.1 0.8 0.8 volume=0.382 peak=1206 ppm1=1.812 ppm2=2.646
assign ( resid 17 and name HG3) ( resid 18 and name H) 4.3 0.9 0.9 volume=0.292 peak=2018 ppm1=1.775 ppm2=9.645
assign ( resid 97 and name HA) ( resid 96 and name H) 5.6 1.1 1.1 volume=0.058 peak=2951 ppm1=3.740 ppm2=7.946
assign ( resid 109 and name HB3) ( resid 109 and name HD2) 5.0 1.0 1.0 volume=0.112 peak=1580 ppm1=1.331 ppm2=3.056
assign ( resid 76 and name HG2*) ( resid 76 and name HA) 3.5 0.7 0.7 volume=0.937 peak=2385 ppm1=0.656 ppm2=5.721
assign ( resid 70 and name HG2*) ( resid 71 and name H) 3.8 0.8 0.8 volume=0.582 peak=1586 ppm1=0.621 ppm2=10.488
assign ( resid 36 and name HG3) ( resid 36 and name HD3) 3.4 0.7 0.7 volume=1.179 peak=840 ppm1=2.022 ppm2=3.727
assign ( resid 113 and name HA) ( resid 113 and name HB3) 4.0 0.8 0.8 volume=0.445 peak=1536 ppm1=4.074 ppm2=1.395
assign ( resid 21 and name HD3) ( resid 19 and name HE*) 4.1 0.8 0.8 volume=0.389 peak=2792 ppm1=1.603 ppm2=6.505
assign ( resid 27 and name HB3) ( resid 28 and name H) 4.0 0.8 0.8 volume=0.419 peak=648 ppm1=1.773 ppm2=8.434
assign ( resid 92 and name HA) ( resid 91 and name HG2) 4.4 0.9 0.9 volume=0.247 peak=347 ppm1=4.438 ppm2=2.127
assign ( resid 100 and name HD3) ( resid 100 and name H) 4.9 1.0 1.0 volume=0.140 peak=179 ppm1=3.103 ppm2=8.902
assign ( resid 52 and name HG3) ( resid 52 and name HG2) 3.0 0.6 0.6 volume=2.332 peak=1046 ppm1=2.379 ppm2=2.064
assign ( resid 14 and name HB3) ( resid 14 and name HA) 3.9 0.8 0.8 volume=0.510 peak=2264 ppm1=2.264 ppm2=4.819
assign ( resid 67 and name HB3) ( resid 67 and name HG3) 2.8 0.6 0.6 volume=3.535 peak=3017 ppm1=1.731 ppm2=1.957
assign ( resid 125 and name HG3) ( resid 125 and name HG2) 3.5 0.7 0.7 volume=1.018 peak=2297 ppm1=2.351 ppm2=2.154
assign ( resid 90 and name HG3) ( resid 90 and name HB3) 2.9 0.6 0.6 volume=2.948 peak=2067 ppm1=2.074 ppm2=2.000
assign ( resid 39 and name HD3) ( resid 39 and name HG3) 3.6 0.7 0.7 volume=0.866 peak=1498 ppm1=3.386 ppm2=1.819
assign ( resid 41 and name HB3) ( resid 41 and name HD2) 4.2 0.8 0.8 volume=0.358 peak=1842 ppm1=2.002 ppm2=3.435
assign ( resid 91 and name HG2) ( resid 91 and name HB2) 3.1 0.6 0.6 volume=2.273 peak=1801 ppm1=2.125 ppm2=1.650
assign ( resid 100 and name HB2) ( resid 100 and name HD2) 3.9 0.8 0.8 volume=0.496 peak=424 ppm1=2.282 ppm2=3.224
assign ( resid 17 and name HE*) ( resid 108 and name HB) 3.7 0.7 0.7 volume=0.678 peak=586 ppm1=1.476 ppm2=3.401
assign ( resid 15 and name HA) ( resid 15 and name HG2) 4.4 0.9 0.9 volume=0.241 peak=467 ppm1=3.372 ppm2=2.093
assign ( resid 41 and name HB3) ( resid 41 and name HG2) 3.7 0.7 0.7 volume=0.734 peak=1562 ppm1=2.002 ppm2=1.726
assign ( resid 120 and name HG1*) ( resid 19 and name HD*) 3.7 0.7 0.7 volume=0.757 peak=2085 ppm1=0.198 ppm2=6.860
assign ( resid 65 and name HB3) ( resid 64 and name HA) 4.0 0.8 0.8 volume=0.442 peak=843 ppm1=1.827 ppm2=4.570
assign ( resid 51 and name HG2) ( resid 51 and name HB3) 2.7 0.5 0.5 volume=4.387 peak=815 ppm1=2.288 ppm2=2.055
assign ( resid 8 and name HG2*) ( resid 8 and name HA) 3.3 0.7 0.7 volume=1.325 peak=1230 ppm1=0.869 ppm2=5.290
assign ( resid 74 and name HB2) ( resid 74 and name HG2) 4.6 0.9 0.9 volume=0.186 peak=383 ppm1=1.978 ppm2=2.447
assign ( resid 39 and name HB2) ( resid 39 and name HD3) 3.8 0.8 0.8 volume=0.619 peak=272 ppm1=2.005 ppm2=3.395
assign ( resid 22 and name HB3) ( resid 22 and name H) 4.1 0.8 0.8 volume=0.406 peak=72 ppm1=2.891 ppm2=8.647
assign ( resid 114 and name HE2) ( resid 114 and name HA) 3.3 0.7 0.7 volume=1.322 peak=1084 ppm1=2.985 ppm2=2.842
assign ( resid 27 and name HB3) ( resid 28 and name HA) 4.9 1.0 1.0 volume=0.136 peak=1304 ppm1=1.773 ppm2=4.986
assign ( resid 67 and name HB2) ( resid 68 and name H) 4.1 0.8 0.8 volume=0.397 peak=2983 ppm1=1.691 ppm2=9.309
assign ( resid 13 and name HB2) ( resid 13 and name HG3) 2.9 0.6 0.6 volume=3.115 peak=967 ppm1=2.196 ppm2=2.262
assign ( resid 90 and name HB2) ( resid 90 and name HG3) 3.3 0.7 0.7 volume=1.344 peak=397 ppm1=2.296 ppm2=2.078
assign ( resid 98 and name HB3) ( resid 98 and name HG2) 4.3 0.9 0.9 volume=0.286 peak=1217 ppm1=1.398 ppm2=-0.177
assign ( resid 61 and name HB2) ( resid 60 and name HA) 4.7 0.9 0.9 volume=0.168 peak=2861 ppm1=2.704 ppm2=4.954
assign ( resid 65 and name HG3) ( resid 65 and name HD2) 3.2 0.6 0.6 volume=1.860 peak=2408 ppm1=1.998 ppm2=3.686
assign ( resid 6 and name HG2*) ( resid 21 and name H) 3.9 0.8 0.8 volume=0.547 peak=1347 ppm1=1.581 ppm2=8.451
assign ( resid 17 and name HB3) ( resid 16 and name HA) 5.1 1.0 1.0 volume=0.099 peak=2625 ppm1=1.643 ppm2=4.971
assign ( resid 65 and name HG2) ( resid 65 and name HA) 3.8 0.8 0.8 volume=0.654 peak=2542 ppm1=2.022 ppm2=4.960
assign ( resid 127 and name HB2) ( resid 126 and name HA) 4.7 0.9 0.9 volume=0.173 peak=681 ppm1=1.872 ppm2=4.869
assign ( resid 76 and name HD1*) ( resid 46 and name H) 4.2 0.8 0.8 volume=0.313 peak=1100 ppm1=0.173 ppm2=7.915
assign ( resid 3 and name HE*) ( resid 3 and name HA) 3.7 0.7 0.7 volume=0.673 peak=1377 ppm1=1.951 ppm2=4.352
assign ( resid 83 and name HG2*) ( resid 83 and name HA) 3.4 0.7 0.7 volume=1.279 peak=2736 ppm1=0.718 ppm2=4.612
assign ( resid 32 and name HG2*) ( resid 31 and name HD1*) 3.7 0.7 0.7 volume=0.671 peak=206 ppm1=1.011 ppm2=0.437
assign ( resid 92 and name HB2) ( resid 92 and name HA) 4.9 1.0 1.0 volume=0.139 peak=1906 ppm1=2.311 ppm2=4.442
assign ( resid 9 and name HB3) ( resid 9 and name HG2) 3.8 0.8 0.8 volume=0.643 peak=3144 ppm1=2.561 ppm2=2.668
assign ( resid 126 and name HG1*) ( resid 126 and name HA) 3.3 0.7 0.7 volume=1.336 peak=73 ppm1=0.836 ppm2=4.882
assign ( resid 27 and name HG) ( resid 27 and name HA) 3.3 0.7 0.7 volume=1.511 peak=88 ppm1=1.530 ppm2=4.493
assign ( resid 70 and name HG2*) ( resid 56 and name H) 4.0 0.8 0.8 volume=0.470 peak=2315 ppm1=0.621 ppm2=8.262
assign ( resid 114 and name HD2) ( resid 114 and name HG3) 3.2 0.6 0.6 volume=1.677 peak=1948 ppm1=1.693 ppm2=1.352
assign ( resid 119 and name HE*) ( resid 27 and name H) 3.7 0.7 0.7 volume=0.728 peak=1803 ppm1=2.075 ppm2=7.633
assign ( resid 62 and name HB3) ( resid 62 and name HB2) 3.1 0.6 0.6 volume=2.050 peak=1326 ppm1=3.095 ppm2=2.619
assign ( resid 65 and name HD2) ( resid 65 and name HA) 4.9 1.0 1.0 volume=0.141 peak=2812 ppm1=3.694 ppm2=4.960
assign ( resid 12 and name HA) ( resid 12 and name HD2*) 3.4 0.7 0.7 volume=1.194 peak=427 ppm1=3.684 ppm2=0.389
assign ( resid 43 and name HA2) ( resid 42 and name HB*) 6.4 1.3 1.3 volume=0.028 peak=2709 ppm1=3.648 ppm2=1.417
assign ( resid 31 and name HD1*) ( resid 15 and name HA) 3.3 0.7 0.7 volume=1.531 peak=1226 ppm1=0.437 ppm2=3.374
assign ( resid 5 and name HB2) ( resid 6 and name H) 3.8 0.8 0.8 volume=0.654 peak=782 ppm1=2.680 ppm2=7.720
assign ( resid 110 and name HD2) ( resid 109 and name HA) 4.0 0.8 0.8 volume=0.432 peak=2153 ppm1=3.820 ppm2=4.419
assign ( resid 100 and name HG3) ( resid 100 and name HA) 3.2 0.6 0.6 volume=1.864 peak=1236 ppm1=1.668 ppm2=4.773
assign ( resid 46 and name HB3) ( resid 47 and name H) 4.7 0.9 0.9 volume=0.167 peak=1615 ppm1=2.730 ppm2=8.348
assign ( resid 39 and name HB3) ( resid 39 and name HD3) 3.9 0.8 0.8 volume=0.561 peak=2463 ppm1=1.804 ppm2=3.391
assign ( resid 70 and name HG1*) ( resid 70 and name HB) 3.3 0.7 0.7 volume=1.546 peak=1841 ppm1=1.015 ppm2=2.806
assign ( resid 115 and name HG3) ( resid 116 and name H) 3.9 0.8 0.8 volume=0.503 peak=523 ppm1=2.356 ppm2=8.638
assign ( resid 23 and name HA3) ( resid 24 and name HA) 4.4 0.9 0.9 volume=0.245 peak=620 ppm1=4.205 ppm2=4.755
assign ( resid 12 and name HB2) ( resid 12 and name HD2*) 4.0 0.8 0.8 volume=0.445 peak=2003 ppm1=1.795 ppm2=0.383
assign ( resid 76 and name HG2*) ( resid 82 and name H) 4.5 0.9 0.9 volume=0.214 peak=2727 ppm1=0.658 ppm2=6.943
assign ( resid 56 and name HD2*) ( resid 55 and name HA) 4.2 0.8 0.8 volume=0.356 peak=1994 ppm1=-0.591 ppm2=4.329
assign ( resid 98 and name HE2) ( resid 98 and name HB2) 3.8 0.8 0.8 volume=0.624 peak=1208 ppm1=2.731 ppm2=1.433
assign ( resid 21 and name HG3) ( resid 21 and name HA) 3.6 0.7 0.7 volume=0.846 peak=1625 ppm1=1.204 ppm2=4.539
assign ( resid 122 and name HB2) ( resid 122 and name HG2) 3.7 0.7 0.7 volume=0.768 peak=2938 ppm1=1.687 ppm2=1.391
assign ( resid 91 and name HA) ( resid 91 and name HG3) 4.4 0.9 0.9 volume=0.266 peak=41 ppm1=4.546 ppm2=2.212
assign ( resid 118 and name HA2) ( resid 118 and name H) 3.7 0.7 0.7 volume=0.673 peak=1174 ppm1=3.809 ppm2=7.203
assign ( resid 22 and name HA) ( resid 22 and name HB2) 3.1 0.6 0.6 volume=2.168 peak=394 ppm1=4.169 ppm2=2.677
assign ( resid 36 and name HG2) ( resid 36 and name HD2) 4.4 0.9 0.9 volume=0.263 peak=436 ppm1=1.844 ppm2=4.021
assign ( resid 56 and name HD1*) ( resid 56 and name HD2*) 2.8 0.6 0.6 volume=3.604 peak=135 ppm1=-0.082 ppm2=-0.589
assign ( resid 110 and name HB3) ( resid 110 and name HD3) 4.2 0.8 0.8 volume=0.317 peak=2239 ppm1=2.118 ppm2=3.918
assign ( resid 41 and name HD3) ( resid 41 and name HB3) 3.5 0.7 0.7 volume=1.068 peak=3149 ppm1=3.675 ppm2=2.006
assign ( resid 21 and name HE3) ( resid 21 and name HB3) 3.4 0.7 0.7 volume=1.099 peak=2734 ppm1=2.997 ppm2=1.524
assign ( resid 10 and name HB) ( resid 10 and name HG1*) 3.5 0.7 0.7 volume=0.996 peak=1613 ppm1=2.145 ppm2=0.608
assign ( resid 3 and name HB3) ( resid 4 and name HA) 3.9 0.8 0.8 volume=0.556 peak=2272 ppm1=1.740 ppm2=4.307
assign ( resid 122 and name HE2) ( resid 122 and name HD3) 3.0 0.6 0.6 volume=2.500 peak=932 ppm1=3.008 ppm2=1.808
assign ( resid 24 and name HG3) ( resid 24 and name H) 3.3 0.7 0.7 volume=1.495 peak=561 ppm1=1.387 ppm2=7.597
assign ( resid 98 and name HB2) ( resid 98 and name HD2) 3.8 0.8 0.8 volume=0.654 peak=2049 ppm1=1.429 ppm2=1.246
assign ( resid 122 and name HD2) ( resid 122 and name HG3) 3.6 0.7 0.7 volume=0.888 peak=3167 ppm1=1.785 ppm2=1.057
assign ( resid 19 and name HB2) ( resid 20 and name H) 4.8 1.0 1.0 volume=0.149 peak=2140 ppm1=2.701 ppm2=8.966
assign ( resid 28 and name HB2) ( resid 28 and name HG3) 4.0 0.8 0.8 volume=0.422 peak=2750 ppm1=1.493 ppm2=2.019
assign ( resid 12 and name HB3) ( resid 12 and name HA) 4.2 0.8 0.8 volume=0.316 peak=91 ppm1=0.937 ppm2=3.690
assign ( resid 60 and name HB3) ( resid 60 and name HA) 4.0 0.8 0.8 volume=0.474 peak=2789 ppm1=3.072 ppm2=4.954
assign ( resid 44 and name HB) ( resid 44 and name HG2*) 3.2 0.6 0.6 volume=1.580 peak=826 ppm1=1.788 ppm2=0.879
assign ( resid 122 and name HB3) ( resid 123 and name HA2) 5.0 1.0 1.0 volume=0.116 peak=3006 ppm1=1.674 ppm2=4.291
assign ( resid 90 and name HB3) ( resid 90 and name HD3) 4.0 0.8 0.8 volume=0.449 peak=2425 ppm1=1.996 ppm2=4.005
assign ( resid 35 and name HB2) ( resid 36 and name HD2) 4.9 1.0 1.0 volume=0.131 peak=477 ppm1=2.125 ppm2=4.021
assign ( resid 120 and name HB) ( resid 116 and name HD2*) 4.2 0.8 0.8 volume=0.317 peak=2094 ppm1=1.459 ppm2=0.381
assign ( resid 39 and name HG3) ( resid 39 and name HB2) 3.4 0.7 0.7 volume=1.116 peak=1163 ppm1=1.815 ppm2=2.009
assign ( resid 99 and name HG2*) ( resid 99 and name H) 3.3 0.7 0.7 volume=1.536 peak=740 ppm1=1.079 ppm2=7.391
assign ( resid 16 and name HB2) ( resid 16 and name H) 4.4 0.9 0.9 volume=0.261 peak=9 ppm1=2.672 ppm2=8.068
assign ( resid 67 and name HG2) ( resid 67 and name H) 4.0 0.8 0.8 volume=0.440 peak=214 ppm1=1.889 ppm2=8.218
assign ( resid 35 and name HE2) ( resid 35 and name HG2) 2.9 0.6 0.6 volume=3.174 peak=3104 ppm1=2.917 ppm2=1.598
assign ( resid 99 and name HA) ( resid 100 and name H) 5.2 1.0 1.0 volume=0.093 peak=202 ppm1=4.486 ppm2=8.902
assign ( resid 28 and name HG3) ( resid 29 and name H) 4.2 0.8 0.8 volume=0.312 peak=1309 ppm1=2.014 ppm2=8.041
assign ( resid 94 and name HA2) ( resid 95 and name HB2) 5.0 1.0 1.0 volume=0.123 peak=2869 ppm1=3.969 ppm2=2.718
assign ( resid 41 and name HA) ( resid 40 and name HA) 3.8 0.8 0.8 volume=0.607 peak=516 ppm1=4.241 ppm2=4.385
assign ( resid 51 and name HB3) ( resid 51 and name HA) 3.5 0.7 0.7 volume=0.929 peak=737 ppm1=2.049 ppm2=4.977
assign ( resid 54 and name HB*) ( resid 53 and name HA) 3.2 0.6 0.6 volume=1.604 peak=2487 ppm1=0.942 ppm2=4.413
assign ( resid 57 and name HD3) ( resid 57 and name HG3) 3.1 0.6 0.6 volume=2.232 peak=1649 ppm1=1.483 ppm2=1.161
assign ( resid 43 and name HA2) ( resid 44 and name H) 4.4 0.9 0.9 volume=0.258 peak=824 ppm1=3.648 ppm2=7.498
assign ( resid 110 and name HD2) ( resid 109 and name HB3) 4.8 1.0 1.0 volume=0.148 peak=1508 ppm1=3.820 ppm2=1.335
assign ( resid 111 and name HA) ( resid 112 and name HB) 4.2 0.8 0.8 volume=0.328 peak=3143 ppm1=3.888 ppm2=1.744
assign ( resid 98 and name HB2) ( resid 99 and name H) 4.3 0.9 0.9 volume=0.275 peak=287 ppm1=1.429 ppm2=7.391
assign ( resid 53 and name HB3) ( resid 53 and name HA) 3.2 0.6 0.6 volume=1.708 peak=207 ppm1=2.761 ppm2=4.413
assign ( resid 108 and name HA) ( resid 109 and name HB3) 5.0 1.0 1.0 volume=0.115 peak=2071 ppm1=4.418 ppm2=1.335
assign ( resid 26 and name HA) ( resid 25 and name HG1*) 4.5 0.9 0.9 volume=0.219 peak=2536 ppm1=4.443 ppm2=0.661
assign ( resid 125 and name HB2) ( resid 124 and name HA) 3.9 0.8 0.8 volume=0.492 peak=577 ppm1=2.306 ppm2=4.448
assign ( resid 28 and name HG2) ( resid 28 and name HB3) 2.9 0.6 0.6 volume=2.999 peak=904 ppm1=1.912 ppm2=1.922
assign ( resid 119 and name HA) ( resid 119 and name HB3) 3.5 0.7 0.7 volume=0.947 peak=2948 ppm1=4.452 ppm2=2.122
assign ( resid 56 and name HD2*) ( resid 55 and name H) 4.7 0.9 0.9 volume=0.171 peak=1097 ppm1=-0.588 ppm2=8.445
assign ( resid 96 and name HD1*) ( resid 96 and name HG) 2.7 0.5 0.5 volume=4.722 peak=1164 ppm1=0.619 ppm2=1.725
assign ( resid 36 and name HD3) ( resid 35 and name HA) 4.5 0.9 0.9 volume=0.232 peak=1865 ppm1=3.723 ppm2=5.120
assign ( resid 17 and name HE*) ( resid 11 and name H) 4.0 0.8 0.8 volume=0.469 peak=600 ppm1=1.473 ppm2=8.613
assign ( resid 98 and name HD3) ( resid 98 and name HG3) 3.7 0.7 0.7 volume=0.714 peak=2639 ppm1=1.257 ppm2=-0.328
assign ( resid 12 and name HD2*) ( resid 13 and name H) 4.0 0.8 0.8 volume=0.468 peak=226 ppm1=0.392 ppm2=9.103
assign ( resid 21 and name HG2) ( resid 21 and name HA) 3.6 0.7 0.7 volume=0.888 peak=1822 ppm1=1.215 ppm2=4.539
assign ( resid 110 and name HG3) ( resid 110 and name HD2) 4.0 0.8 0.8 volume=0.421 peak=1596 ppm1=2.359 ppm2=3.821
assign ( resid 100 and name HB3) ( resid 100 and name HD3) 4.0 0.8 0.8 volume=0.455 peak=1140 ppm1=1.481 ppm2=3.107
assign ( resid 21 and name HD3) ( resid 21 and name HE3) 3.0 0.6 0.6 volume=2.671 peak=475 ppm1=1.602 ppm2=2.998
assign ( resid 81 and name HA) ( resid 81 and name HG1*) 3.9 0.8 0.8 volume=0.496 peak=756 ppm1=3.728 ppm2=0.757
assign ( resid 125 and name HG2) ( resid 124 and name HG2*) 4.4 0.9 0.9 volume=0.267 peak=1459 ppm1=2.159 ppm2=1.570
assign ( resid 114 and name HG3) ( resid 114 and name HD2) 3.1 0.6 0.6 volume=2.270 peak=1240 ppm1=1.348 ppm2=1.697
assign ( resid 21 and name HB2) ( resid 22 and name H) 4.7 0.9 0.9 volume=0.174 peak=1331 ppm1=1.105 ppm2=8.656
assign ( resid 41 and name HB2) ( resid 42 and name HA) 4.0 0.8 0.8 volume=0.431 peak=2958 ppm1=1.845 ppm2=4.355
assign ( resid 44 and name HB) ( resid 44 and name H) 3.6 0.7 0.7 volume=0.911 peak=494 ppm1=1.790 ppm2=7.493
assign ( resid 89 and name HB2) ( resid 89 and name HE22) 5.0 1.0 1.0 volume=0.122 peak=574 ppm1=1.608 ppm2=7.166
assign ( resid 17 and name HB2) ( resid 17 and name HG2) 4.8 1.0 1.0 volume=0.150 peak=1118 ppm1=1.477 ppm2=2.261
assign ( resid 31 and name HG2*) ( resid 31 and name H) 3.8 0.8 0.8 volume=0.578 peak=641 ppm1=0.611 ppm2=7.631
assign ( resid 128 and name HB) ( resid 128 and name H) 4.5 0.9 0.9 volume=0.210 peak=1744 ppm1=2.429 ppm2=9.081
assign ( resid 56 and name HG) ( resid 56 and name HD2*) 4.0 0.8 0.8 volume=0.445 peak=2887 ppm1=1.185 ppm2=-0.593
assign ( resid 125 and name HB2) ( resid 125 and name HG3) 3.8 0.8 0.8 volume=0.572 peak=730 ppm1=2.306 ppm2=2.363
assign ( resid 127 and name HG) ( resid 127 and name HA) 3.9 0.8 0.8 volume=0.559 peak=1656 ppm1=1.731 ppm2=5.023
assign ( resid 95 and name HB2) ( resid 96 and name H) 4.9 1.0 1.0 volume=0.136 peak=1816 ppm1=2.714 ppm2=7.946
assign ( resid 50 and name HD3) ( resid 50 and name HE2) 4.0 0.8 0.8 volume=0.428 peak=713 ppm1=1.834 ppm2=2.999
assign ( resid 128 and name HG1*) ( resid 128 and name HB) 3.2 0.6 0.6 volume=1.660 peak=2158 ppm1=0.807 ppm2=2.433
assign ( resid 122 and name HE2) ( resid 122 and name HB3) 2.5 0.5 0.5 volume=6.729 peak=1464 ppm1=3.008 ppm2=1.678
assign ( resid 42 and name HB*) ( resid 41 and name HA) 3.4 0.7 0.7 volume=1.287 peak=2478 ppm1=1.414 ppm2=4.256
assign ( resid 44 and name HB) ( resid 44 and name HG1*) 3.2 0.6 0.6 volume=1.571 peak=162 ppm1=1.788 ppm2=0.773
assign ( resid 79 and name HB) ( resid 80 and name HA2) 4.3 0.9 0.9 volume=0.286 peak=2082 ppm1=4.378 ppm2=4.767
assign ( resid 113 and name HG3) ( resid 113 and name HE*) 4.4 0.9 0.9 volume=0.259 peak=915 ppm1=3.537 ppm2=2.075
assign ( resid 22 and name HB3) ( resid 21 and name HA) 4.5 0.9 0.9 volume=0.227 peak=553 ppm1=2.890 ppm2=4.539
assign ( resid 11 and name HB3) ( resid 11 and name HB2) 4.1 0.8 0.8 volume=0.367 peak=484 ppm1=2.841 ppm2=3.110
assign ( resid 21 and name HA) ( resid 22 and name HA) 4.7 0.9 0.9 volume=0.164 peak=2629 ppm1=4.535 ppm2=4.173
assign ( resid 37 and name HG2*) ( resid 36 and name HB2) 3.9 0.8 0.8 volume=0.505 peak=657 ppm1=1.288 ppm2=2.513
assign ( resid 69 and name HD2) ( resid 68 and name H) 4.9 1.0 1.0 volume=0.138 peak=1185 ppm1=3.780 ppm2=9.309
assign ( resid 14 and name HB3) ( resid 14 and name HD22) 4.0 0.8 0.8 volume=0.463 peak=1275 ppm1=2.264 ppm2=8.998
assign ( resid 98 and name HD2) ( resid 98 and name HG3) 3.7 0.7 0.7 volume=0.697 peak=1224 ppm1=1.242 ppm2=-0.328
assign ( resid 56 and name HD2*) ( resid 73 and name HZ3) 4.2 0.8 0.8 volume=0.347 peak=498 ppm1=-0.592 ppm2=6.938
assign ( resid 112 and name HG1*) ( resid 112 and name HA) 2.9 0.6 0.6 volume=2.888 peak=322 ppm1=0.663 ppm2=3.836
assign ( resid 92 and name HB2) ( resid 92 and name H) 4.9 1.0 1.0 volume=0.130 peak=695 ppm1=2.311 ppm2=8.619
assign ( resid 64 and name HG2*) ( resid 64 and name HA) 2.7 0.5 0.5 volume=4.887 peak=1494 ppm1=1.254 ppm2=4.570
assign ( resid 61 and name HA) ( resid 62 and name HB2) 4.1 0.8 0.8 volume=0.415 peak=2973 ppm1=4.392 ppm2=2.622
assign ( resid 115 and name HG2) ( resid 115 and name HA) 3.1 0.6 0.6 volume=2.203 peak=1473 ppm1=2.198 ppm2=3.960
assign ( resid 122 and name HB3) ( resid 122 and name HE2) 4.4 0.9 0.9 volume=0.248 peak=2715 ppm1=1.674 ppm2=3.012
assign ( resid 21 and name HE3) ( resid 21 and name HG2) 2.8 0.6 0.6 volume=3.728 peak=522 ppm1=2.997 ppm2=1.219
assign ( resid 37 and name HA) ( resid 38 and name HA) 4.4 0.9 0.9 volume=0.266 peak=743 ppm1=4.264 ppm2=4.574
assign ( resid 57 and name HD3) ( resid 57 and name HB2) 3.0 0.6 0.6 volume=2.443 peak=461 ppm1=1.483 ppm2=1.600
assign ( resid 119 and name HB2) ( resid 119 and name HG2) 3.8 0.8 0.8 volume=0.625 peak=3079 ppm1=1.970 ppm2=2.702
assign ( resid 106 and name HA) ( resid 107 and name HB2) 4.6 0.9 0.9 volume=0.189 peak=1912 ppm1=3.902 ppm2=3.367
assign ( resid 31 and name HG2*) ( resid 31 and name HA) 3.4 0.7 0.7 volume=1.207 peak=910 ppm1=0.612 ppm2=5.059
assign ( resid 70 and name HG1*) ( resid 68 and name HB3) 3.4 0.7 0.7 volume=1.113 peak=2204 ppm1=1.012 ppm2=3.374
assign ( resid 52 and name HG3) ( resid 52 and name HB2) 3.6 0.7 0.7 volume=0.888 peak=1389 ppm1=2.377 ppm2=1.929
assign ( resid 128 and name HG2*) ( resid 128 and name H) 3.4 0.7 0.7 volume=1.098 peak=1449 ppm1=0.798 ppm2=9.067
assign ( resid 96 and name HA) ( resid 97 and name HB2) 4.7 0.9 0.9 volume=0.178 peak=445 ppm1=3.872 ppm2=3.213
assign ( resid 36 and name HA) ( resid 36 and name HB3) 3.5 0.7 0.7 volume=1.030 peak=2288 ppm1=4.379 ppm2=1.999
assign ( resid 52 and name HG2) ( resid 53 and name H) 4.3 0.9 0.9 volume=0.282 peak=723 ppm1=2.062 ppm2=8.344
assign ( resid 70 and name HG1*) ( resid 70 and name HA) 3.0 0.6 0.6 volume=2.591 peak=992 ppm1=1.014 ppm2=4.747
assign ( resid 41 and name HA) ( resid 41 and name HB3) 3.4 0.7 0.7 volume=1.129 peak=711 ppm1=4.241 ppm2=2.006
assign ( resid 41 and name HG2) ( resid 41 and name HD2) 4.6 0.9 0.9 volume=0.190 peak=455 ppm1=1.722 ppm2=3.435
assign ( resid 89 and name HA) ( resid 90 and name HG3) 4.4 0.9 0.9 volume=0.244 peak=698 ppm1=5.165 ppm2=2.078
assign ( resid 129 and name HB3) ( resid 129 and name HD*) 3.4 0.7 0.7 volume=1.138 peak=2242 ppm1=2.985 ppm2=7.187
assign ( resid 50 and name HD3) ( resid 50 and name HB3) 4.1 0.8 0.8 volume=0.404 peak=1481 ppm1=1.834 ppm2=1.345
assign ( resid 20 and name HB3) ( resid 20 and name HD*) 4.0 0.8 0.8 volume=0.477 peak=3003 ppm1=2.005 ppm2=6.199
assign ( resid 91 and name HG3) ( resid 91 and name HB2) 3.1 0.6 0.6 volume=2.197 peak=1853 ppm1=2.216 ppm2=1.651
assign ( resid 57 and name HG2) ( resid 57 and name HB2) 3.4 0.7 0.7 volume=1.101 peak=1513 ppm1=1.104 ppm2=1.600
assign ( resid 5 and name HB2) ( resid 4 and name HA) 3.9 0.8 0.8 volume=0.528 peak=1555 ppm1=2.680 ppm2=4.307
assign ( resid 6 and name HG2*) ( resid 24 and name HA) 3.1 0.6 0.6 volume=2.034 peak=169 ppm1=1.582 ppm2=4.765
assign ( resid 20 and name HB3) ( resid 20 and name H) 4.6 0.9 0.9 volume=0.204 peak=1832 ppm1=2.004 ppm2=8.970
assign ( resid 12 and name HB2) ( resid 13 and name HA) 4.8 1.0 1.0 volume=0.147 peak=2273 ppm1=1.797 ppm2=3.984
assign ( resid 56 and name HG) ( resid 56 and name HB3) 3.5 0.7 0.7 volume=0.936 peak=337 ppm1=1.185 ppm2=1.569
assign ( resid 3 and name HB2) ( resid 3 and name HA) 3.5 0.7 0.7 volume=1.077 peak=775 ppm1=1.930 ppm2=4.352
assign ( resid 38 and name HA) ( resid 38 and name HG2*) 4.0 0.8 0.8 volume=0.443 peak=2982 ppm1=4.570 ppm2=1.126
assign ( resid 113 and name HE*) ( resid 113 and name HB2) 3.1 0.6 0.6 volume=2.159 peak=2920 ppm1=2.071 ppm2=2.172
assign ( resid 98 and name HE3) ( resid 98 and name HD2) 3.1 0.6 0.6 volume=2.112 peak=964 ppm1=2.744 ppm2=1.246
assign ( resid 31 and name HA) ( resid 32 and name H) 4.6 0.9 0.9 volume=0.201 peak=386 ppm1=5.063 ppm2=8.261
assign ( resid 3 and name HA) ( resid 4 and name HB2) 4.3 0.9 0.9 volume=0.304 peak=1432 ppm1=4.348 ppm2=2.057
assign ( resid 52 and name HB3) ( resid 52 and name HG3) 3.7 0.7 0.7 volume=0.701 peak=2447 ppm1=1.822 ppm2=2.381
assign ( resid 21 and name HB2) ( resid 21 and name H) 4.3 0.9 0.9 volume=0.279 peak=228 ppm1=1.105 ppm2=8.453
assign ( resid 70 and name HB) ( resid 70 and name HA) 3.8 0.8 0.8 volume=0.583 peak=2164 ppm1=2.811 ppm2=4.747
assign ( resid 36 and name HB3) ( resid 36 and name HD2) 3.9 0.8 0.8 volume=0.492 peak=524 ppm1=1.994 ppm2=4.021
assign ( resid 127 and name HB2) ( resid 127 and name H) 4.5 0.9 0.9 volume=0.225 peak=2767 ppm1=1.878 ppm2=9.587
assign ( resid 11 and name HA) ( resid 11 and name HB3) 4.2 0.8 0.8 volume=0.351 peak=3185 ppm1=4.271 ppm2=2.854
assign ( resid 105 and name HB2) ( resid 105 and name H) 5.5 1.1 1.1 volume=0.066 peak=1903 ppm1=3.379 ppm2=7.735
assign ( resid 25 and name HG1*) ( resid 24 and name HA) 3.2 0.6 0.6 volume=1.841 peak=1204 ppm1=0.680 ppm2=4.756
assign ( resid 117 and name HA) ( resid 117 and name H) 3.9 0.8 0.8 volume=0.557 peak=973 ppm1=3.721 ppm2=8.823
assign ( resid 67 and name HG3) ( resid 67 and name HG2) 2.4 0.5 0.5 volume=9.972 peak=792 ppm1=1.962 ppm2=1.895
assign ( resid 44 and name HG2*) ( resid 44 and name HB) 2.6 0.5 0.5 volume=5.757 peak=633 ppm1=0.875 ppm2=1.792
assign ( resid 106 and name HG2*) ( resid 106 and name HG12) 3.0 0.6 0.6 volume=2.603 peak=2553 ppm1=0.630 ppm2=0.822
assign ( resid 71 and name HA) ( resid 72 and name HB2) 4.2 0.8 0.8 volume=0.334 peak=2251 ppm1=4.318 ppm2=2.742
assign ( resid 74 and name HE*) ( resid 51 and name H) 4.4 0.9 0.9 volume=0.253 peak=255 ppm1=1.633 ppm2=9.560
assign ( resid 57 and name HB3) ( resid 57 and name HB2) 3.1 0.6 0.6 volume=2.262 peak=1829 ppm1=1.407 ppm2=1.599
assign ( resid 24 and name HG3) ( resid 24 and name HD2) 2.4 0.5 0.5 volume=9.455 peak=356 ppm1=1.387 ppm2=1.704
assign ( resid 27 and name HB2) ( resid 26 and name HA) 3.8 0.8 0.8 volume=0.593 peak=1762 ppm1=1.399 ppm2=4.453
assign ( resid 43 and name HA3) ( resid 44 and name H) 3.9 0.8 0.8 volume=0.554 peak=2683 ppm1=4.025 ppm2=7.486
assign ( resid 70 and name HB) ( resid 71 and name H) 4.2 0.8 0.8 volume=0.348 peak=79 ppm1=2.810 ppm2=10.482
assign ( resid 24 and name HB3) ( resid 24 and name HD3) 2.7 0.5 0.5 volume=5.229 peak=1298 ppm1=1.687 ppm2=1.660
assign ( resid 51 and name HG3) ( resid 52 and name H) 3.8 0.8 0.8 volume=0.657 peak=781 ppm1=2.267 ppm2=8.698
assign ( resid 28 and name HB3) ( resid 27 and name HA) 4.6 0.9 0.9 volume=0.201 peak=1962 ppm1=1.918 ppm2=4.493
assign ( resid 25 and name HG2*) ( resid 20 and name HD*) 4.1 0.8 0.8 volume=0.409 peak=510 ppm1=0.805 ppm2=6.203
assign ( resid 33 and name HB2) ( resid 33 and name HA) 4.3 0.9 0.9 volume=0.282 peak=2699 ppm1=3.048 ppm2=4.827
assign ( resid 98 and name HB2) ( resid 98 and name HG2) 4.3 0.9 0.9 volume=0.310 peak=2364 ppm1=1.429 ppm2=-0.177
assign ( resid 36 and name HD3) ( resid 36 and name HG2) 4.2 0.8 0.8 volume=0.330 peak=1437 ppm1=3.723 ppm2=1.848
assign ( resid 115 and name HA) ( resid 116 and name H) 4.1 0.8 0.8 volume=0.404 peak=1330 ppm1=3.954 ppm2=8.644
assign ( resid 60 and name HA) ( resid 60 and name HB3) 6.9 1.4 1.1 volume=0.017 peak=731 ppm1=4.950 ppm2=3.076
assign ( resid 56 and name HA) ( resid 55 and name HA) 5.0 1.0 1.0 volume=0.118 peak=1736 ppm1=4.044 ppm2=4.329
assign ( resid 109 and name HB3) ( resid 109 and name HA) 4.7 0.9 0.9 volume=0.174 peak=329 ppm1=1.331 ppm2=4.419
assign ( resid 90 and name HD3) ( resid 90 and name HA) 4.6 0.9 0.9 volume=0.188 peak=1583 ppm1=4.001 ppm2=4.489
assign ( resid 35 and name HG2) ( resid 35 and name HB2) 5.3 1.1 1.1 volume=0.086 peak=2897 ppm1=1.594 ppm2=2.129
assign ( resid 70 and name HG2*) ( resid 55 and name HA) 3.8 0.8 0.8 volume=0.596 peak=1767 ppm1=0.621 ppm2=4.328
assign ( resid 43 and name HA3) ( resid 43 and name H) 4.3 0.9 0.9 volume=0.290 peak=2816 ppm1=4.028 ppm2=9.156
assign ( resid 76 and name HG2*) ( resid 45 and name HA) 4.6 0.9 0.9 volume=0.193 peak=846 ppm1=0.658 ppm2=5.058
assign ( resid 27 and name HD1*) ( resid 27 and name H) 3.9 0.8 0.8 volume=0.522 peak=2802 ppm1=0.642 ppm2=7.645
assign ( resid 100 and name HG2) ( resid 100 and name HA) 3.1 0.6 0.6 volume=1.934 peak=30 ppm1=1.651 ppm2=4.773
assign ( resid 118 and name HA2) ( resid 117 and name HA) 4.0 0.8 0.8 volume=0.470 peak=172 ppm1=3.809 ppm2=3.720
assign ( resid 129 and name HB2) ( resid 129 and name HD*) 3.4 0.7 0.7 volume=1.231 peak=92 ppm1=3.171 ppm2=7.186
assign ( resid 126 and name HB) ( resid 126 and name HG2*) 3.5 0.7 0.7 volume=0.953 peak=1113 ppm1=1.807 ppm2=0.670
assign ( resid 32 and name HB) ( resid 32 and name H) 4.6 0.9 0.9 volume=0.204 peak=2033 ppm1=1.896 ppm2=8.252
assign ( resid 65 and name HD3) ( resid 64 and name H) 4.6 0.9 0.9 volume=0.188 peak=45 ppm1=3.881 ppm2=8.123
assign ( resid 11 and name HA) ( resid 12 and name HB2) 4.8 1.0 1.0 volume=0.154 peak=2216 ppm1=4.270 ppm2=1.801
assign ( resid 94 and name HA3) ( resid 93 and name HA2) 5.0 1.0 1.0 volume=0.120 peak=2658 ppm1=3.860 ppm2=4.394
assign ( resid 98 and name HD3) ( resid 98 and name HG2) 3.5 0.7 0.7 volume=0.924 peak=2741 ppm1=1.257 ppm2=-0.177
assign ( resid 92 and name HB2) ( resid 93 and name H) 4.6 0.9 0.9 volume=0.200 peak=1786 ppm1=2.311 ppm2=7.968
assign ( resid 67 and name HB3) ( resid 68 and name HA) 4.1 0.8 0.8 volume=0.393 peak=1695 ppm1=1.731 ppm2=4.872
assign ( resid 86 and name HA) ( resid 88 and name H) 4.4 0.9 0.9 volume=0.242 peak=948 ppm1=3.619 ppm2=7.019
assign ( resid 56 and name HG) ( resid 56 and name HD1*) 3.9 0.8 0.8 volume=0.529 peak=2474 ppm1=1.187 ppm2=-0.084
assign ( resid 41 and name HB3) ( resid 42 and name H) 4.2 0.8 0.8 volume=0.357 peak=1931 ppm1=2.002 ppm2=7.592
assign ( resid 119 and name HB3) ( resid 119 and name H) 3.7 0.7 0.7 volume=0.730 peak=1575 ppm1=2.118 ppm2=7.351
assign ( resid 56 and name HG) ( resid 57 and name H) 5.6 1.1 1.1 volume=0.060 peak=2900 ppm1=1.185 ppm2=7.988
assign ( resid 57 and name HE2) ( resid 57 and name HD3) 2.6 0.5 0.5 volume=6.212 peak=2997 ppm1=2.764 ppm2=1.487
assign ( resid 111 and name HB2) ( resid 112 and name HA) 2.7 0.5 0.5 volume=5.196 peak=479 ppm1=3.889 ppm2=3.844
assign ( resid 57 and name HE2) ( resid 57 and name HB2) 3.6 0.7 0.7 volume=0.834 peak=2494 ppm1=2.764 ppm2=1.600
assign ( resid 74 and name HE*) ( resid 116 and name H) 3.9 0.8 0.8 volume=0.501 peak=3032 ppm1=1.633 ppm2=8.631
assign ( resid 8 and name HG2*) ( resid 18 and name HE3) 4.6 0.9 0.9 volume=0.199 peak=933 ppm1=0.863 ppm2=7.906
assign ( resid 76 and name HG2*) ( resid 46 and name H) 4.3 0.9 0.9 volume=0.310 peak=2319 ppm1=0.659 ppm2=7.921
assign ( resid 67 and name HB2) ( resid 67 and name HG2) 3.0 0.6 0.6 volume=2.371 peak=1173 ppm1=1.691 ppm2=1.893
assign ( resid 87 and name HB3) ( resid 87 and name HB2) 2.8 0.6 0.6 volume=3.828 peak=246 ppm1=2.723 ppm2=2.957
assign ( resid 35 and name HD3) ( resid 35 and name HD2) 3.1 0.6 0.6 volume=2.187 peak=2787 ppm1=1.391 ppm2=1.599
assign ( resid 63 and name HA3) ( resid 64 and name H) 3.7 0.7 0.7 volume=0.764 peak=2296 ppm1=4.355 ppm2=8.123
assign ( resid 12 and name HA) ( resid 12 and name HB3) 4.0 0.8 0.8 volume=0.445 peak=1466 ppm1=3.683 ppm2=0.941
assign ( resid 122 and name HD2) ( resid 122 and name HA) 4.7 0.9 0.9 volume=0.174 peak=71 ppm1=1.785 ppm2=3.694
assign ( resid 18 and name HB2) ( resid 18 and name HD1) 4.6 0.9 0.9 volume=0.194 peak=887 ppm1=2.666 ppm2=6.970
assign ( resid 86 and name HB2) ( resid 69 and name HA) 5.2 1.0 1.0 volume=0.091 peak=827 ppm1=2.413 ppm2=4.916
assign ( resid 35 and name HB2) ( resid 35 and name H) 4.7 0.9 0.9 volume=0.163 peak=3088 ppm1=2.125 ppm2=8.319
assign ( resid 9 and name HG2) ( resid 9 and name HB2) 3.6 0.7 0.7 volume=0.795 peak=865 ppm1=2.664 ppm2=2.442
assign ( resid 89 and name HA) ( resid 89 and name HB2) 4.6 0.9 0.9 volume=0.207 peak=2546 ppm1=5.165 ppm2=1.612
assign ( resid 100 and name HD2) ( resid 96 and name HD2*) 3.5 0.7 0.7 volume=0.934 peak=2500 ppm1=3.221 ppm2=0.725
assign ( resid 65 and name HD2) ( resid 64 and name H) 4.8 1.0 1.0 volume=0.160 peak=540 ppm1=3.694 ppm2=8.123
assign ( resid 119 and name HA) ( resid 119 and name HG3) 3.6 0.7 0.7 volume=0.795 peak=1030 ppm1=4.452 ppm2=2.562
assign ( resid 76 and name HG2*) ( resid 47 and name HA) 3.6 0.7 0.7 volume=0.819 peak=110 ppm1=0.655 ppm2=3.974
assign ( resid 74 and name HE*) ( resid 47 and name H) 4.1 0.8 0.8 volume=0.370 peak=2482 ppm1=1.633 ppm2=8.317
assign ( resid 36 and name HB3) ( resid 36 and name HA) 3.6 0.7 0.7 volume=0.899 peak=148 ppm1=1.994 ppm2=4.382
assign ( resid 126 and name HB) ( resid 126 and name H) 4.9 1.0 1.0 volume=0.136 peak=78 ppm1=1.807 ppm2=8.472
assign ( resid 57 and name HE2) ( resid 57 and name HG3) 3.0 0.6 0.6 volume=2.756 peak=495 ppm1=2.764 ppm2=1.161
assign ( resid 71 and name HA) ( resid 71 and name HB3) 3.5 0.7 0.7 volume=1.006 peak=3007 ppm1=4.317 ppm2=2.396
assign ( resid 121 and name HG2) ( resid 121 and name HB3) 2.4 0.5 0.5 volume=9.468 peak=1253 ppm1=2.239 ppm2=2.072
assign ( resid 120 and name HA) ( resid 120 and name HG2*) 3.6 0.7 0.7 volume=0.911 peak=2485 ppm1=3.693 ppm2=0.591
assign ( resid 4 and name HA) ( resid 5 and name HB2) 4.1 0.8 0.8 volume=0.393 peak=2890 ppm1=4.303 ppm2=2.684
assign ( resid 98 and name HB2) ( resid 98 and name HA) 4.3 0.9 0.9 volume=0.279 peak=1142 ppm1=1.429 ppm2=3.100
assign ( resid 119 and name HB2) ( resid 120 and name H) 3.7 0.7 0.7 volume=0.767 peak=2173 ppm1=1.970 ppm2=7.328
assign ( resid 37 and name HA) ( resid 36 and name HA) 3.4 0.7 0.7 volume=1.227 peak=2324 ppm1=4.264 ppm2=4.382
assign ( resid 42 and name HB*) ( resid 42 and name H) 2.8 0.6 0.6 volume=3.608 peak=1604 ppm1=1.414 ppm2=7.588
assign ( resid 3 and name HG3) ( resid 4 and name H) 4.9 1.0 1.0 volume=0.135 peak=1901 ppm1=2.410 ppm2=8.369
assign ( resid 17 and name HA) ( resid 16 and name HA) 4.6 0.9 0.9 volume=0.191 peak=889 ppm1=5.627 ppm2=4.971
assign ( resid 122 and name HD3) ( resid 122 and name HG3) 3.5 0.7 0.7 volume=1.025 peak=2388 ppm1=1.804 ppm2=1.057
assign ( resid 21 and name HE2) ( resid 21 and name HG3) 2.9 0.6 0.6 volume=3.385 peak=1197 ppm1=3.022 ppm2=1.201
assign ( resid 100 and name HG2) ( resid 100 and name HD2) 3.4 0.7 0.7 volume=1.287 peak=2646 ppm1=1.651 ppm2=3.224
assign ( resid 97 and name HA) ( resid 97 and name H) 5.2 1.0 1.0 volume=0.089 peak=5 ppm1=3.740 ppm2=9.571
assign ( resid 8 and name HA) ( resid 7 and name HB2) 4.6 0.9 0.9 volume=0.196 peak=1606 ppm1=5.297 ppm2=2.729
assign ( resid 15 and name HG3) ( resid 15 and name HB2) 4.8 1.0 1.0 volume=0.142 peak=95 ppm1=2.908 ppm2=2.237
assign ( resid 41 and name HA) ( resid 41 and name HG2) 4.6 0.9 0.9 volume=0.187 peak=742 ppm1=4.241 ppm2=1.726
assign ( resid 119 and name HE*) ( resid 119 and name H) 3.1 0.6 0.6 volume=2.022 peak=2942 ppm1=2.074 ppm2=7.344
assign ( resid 26 and name HA) ( resid 27 and name HB2) 4.8 1.0 1.0 volume=0.156 peak=828 ppm1=4.449 ppm2=1.396
assign ( resid 100 and name HD2) ( resid 100 and name HG3) 3.0 0.6 0.6 volume=2.494 peak=1600 ppm1=3.221 ppm2=1.666
assign ( resid 120 and name HA) ( resid 120 and name H) 4.0 0.8 0.8 volume=0.455 peak=2616 ppm1=3.695 ppm2=7.328
assign ( resid 18 and name HB3) ( resid 18 and name HD1) 4.7 0.9 0.9 volume=0.167 peak=2424 ppm1=3.281 ppm2=6.970
assign ( resid 43 and name HA2) ( resid 43 and name H) 4.9 1.0 1.0 volume=0.132 peak=1247 ppm1=3.648 ppm2=9.156
assign ( resid 89 and name HA) ( resid 89 and name HB3) 5.1 1.0 1.0 volume=0.100 peak=2299 ppm1=5.165 ppm2=1.206
assign ( resid 122 and name HE2) ( resid 122 and name HB2) 2.5 0.5 0.5 volume=7.500 peak=1363 ppm1=3.008 ppm2=1.691
assign ( resid 103 and name HB2) ( resid 103 and name HB3) 3.9 0.8 0.8 volume=0.544 peak=1691 ppm1=3.196 ppm2=3.586
assign ( resid 4 and name HB3) ( resid 4 and name HG3) 2.9 0.6 0.6 volume=3.424 peak=1566 ppm1=1.857 ppm2=2.226
assign ( resid 116 and name HA) ( resid 116 and name HG) 4.3 0.9 0.9 volume=0.306 peak=1019 ppm1=3.550 ppm2=1.141
assign ( resid 26 and name HB*) ( resid 26 and name HA) 2.4 0.5 0.5 volume=8.732 peak=945 ppm1=1.260 ppm2=4.453
assign ( resid 29 and name HA) ( resid 28 and name HB2) 4.5 0.9 0.9 volume=0.226 peak=1850 ppm1=4.337 ppm2=1.497
assign ( resid 50 and name HB3) ( resid 51 and name H) 5.4 1.1 1.1 volume=0.077 peak=750 ppm1=1.341 ppm2=9.566
assign ( resid 114 and name HG3) ( resid 114 and name HD3) 3.1 0.6 0.6 volume=2.185 peak=2131 ppm1=1.348 ppm2=1.715
assign ( resid 91 and name HG2) ( resid 91 and name HA) 3.3 0.7 0.7 volume=1.387 peak=2905 ppm1=2.123 ppm2=4.551
assign ( resid 53 and name HA) ( resid 52 and name HB2) 5.1 1.0 1.0 volume=0.101 peak=2214 ppm1=4.409 ppm2=1.929
assign ( resid 41 and name HB2) ( resid 41 and name HD2) 4.5 0.9 0.9 volume=0.218 peak=2541 ppm1=1.845 ppm2=3.435
assign ( resid 127 and name HD1*) ( resid 127 and name HG) 2.8 0.6 0.6 volume=4.024 peak=2528 ppm1=0.821 ppm2=1.737
assign ( resid 70 and name HG2*) ( resid 70 and name HG1*) 2.7 0.5 0.5 volume=4.665 peak=1266 ppm1=0.620 ppm2=1.013
assign ( resid 122 and name HB2) ( resid 122 and name HG3) 3.7 0.7 0.7 volume=0.700 peak=3139 ppm1=1.686 ppm2=1.056
assign ( resid 125 and name HG3) ( resid 125 and name HD3) 4.1 0.8 0.8 volume=0.413 peak=2886 ppm1=2.348 ppm2=4.300
assign ( resid 114 and name HE2) ( resid 114 and name HG2) 2.8 0.6 0.6 volume=3.439 peak=489 ppm1=2.985 ppm2=1.141
assign ( resid 19 and name HA) ( resid 18 and name HB2) 4.2 0.8 0.8 volume=0.333 peak=1973 ppm1=5.369 ppm2=2.670
assign ( resid 50 and name HD2) ( resid 50 and name H) 4.3 0.9 0.9 volume=0.289 peak=351 ppm1=1.792 ppm2=7.683
assign ( resid 39 and name HA) ( resid 39 and name HD3) 4.1 0.8 0.8 volume=0.380 peak=920 ppm1=4.156 ppm2=3.390
assign ( resid 113 and name HE*) ( resid 73 and name H) 4.1 0.8 0.8 volume=0.401 peak=2988 ppm1=2.075 ppm2=9.041
assign ( resid 70 and name HG1*) ( resid 88 and name HH2) 3.4 0.7 0.7 volume=1.209 peak=2651 ppm1=1.015 ppm2=7.059
assign ( resid 24 and name HG2) ( resid 25 and name H) 3.5 0.7 0.7 volume=1.046 peak=1244 ppm1=1.397 ppm2=8.691
assign ( resid 91 and name HB3) ( resid 91 and name HG2) 3.2 0.6 0.6 volume=1.830 peak=1412 ppm1=1.953 ppm2=2.123
assign ( resid 6 and name HG2*) ( resid 21 and name HD2) 3.3 0.7 0.7 volume=1.388 peak=128 ppm1=1.582 ppm2=1.754
assign ( resid 21 and name HB3) ( resid 21 and name HA) 4.0 0.8 0.8 volume=0.479 peak=2443 ppm1=1.518 ppm2=4.536
assign ( resid 56 and name HA) ( resid 56 and name HD1*) 3.9 0.8 0.8 volume=0.562 peak=1551 ppm1=4.044 ppm2=-0.084
assign ( resid 112 and name HG2*) ( resid 113 and name H) 3.5 0.7 0.7 volume=1.055 peak=210 ppm1=0.878 ppm2=8.554
assign ( resid 7 and name HB3) ( resid 8 and name H) 4.7 0.9 0.9 volume=0.163 peak=766 ppm1=3.512 ppm2=9.216
assign ( resid 3 and name HG2) ( resid 3 and name HE*) 3.1 0.6 0.6 volume=1.895 peak=1332 ppm1=2.331 ppm2=1.955
assign ( resid 100 and name HB3) ( resid 100 and name H) 4.3 0.9 0.9 volume=0.287 peak=3037 ppm1=1.481 ppm2=8.902
assign ( resid 24 and name HD3) ( resid 24 and name HA) 3.6 0.7 0.7 volume=0.902 peak=1769 ppm1=1.657 ppm2=4.757
assign ( resid 46 and name HA) ( resid 46 and name H) 5.2 1.0 1.0 volume=0.098 peak=652 ppm1=5.161 ppm2=7.928
assign ( resid 85 and name HA) ( resid 85 and name HB2) 4.1 0.8 0.8 volume=0.389 peak=3132 ppm1=5.152 ppm2=2.666
assign ( resid 20 and name HB3) ( resid 20 and name HB2) 3.9 0.8 0.8 volume=0.518 peak=3171 ppm1=2.010 ppm2=1.859
assign ( resid 95 and name HA) ( resid 95 and name HB2) 3.8 0.8 0.8 volume=0.599 peak=560 ppm1=5.157 ppm2=2.716
assign ( resid 21 and name HD2) ( resid 21 and name HB3) 3.3 0.7 0.7 volume=1.388 peak=2373 ppm1=1.751 ppm2=1.524
assign ( resid 89 and name HA) ( resid 90 and name HA) 4.8 1.0 1.0 volume=0.157 peak=1033 ppm1=5.165 ppm2=4.489
assign ( resid 87 and name HA) ( resid 86 and name HA) 4.6 0.9 0.9 volume=0.190 peak=2885 ppm1=4.189 ppm2=3.618
assign ( resid 6 and name HG2*) ( resid 26 and name HB*) 3.5 0.7 0.7 volume=0.939 peak=1763 ppm1=1.581 ppm2=1.258
assign ( resid 13 and name HG2) ( resid 13 and name HB3) 2.6 0.5 0.5 volume=5.552 peak=746 ppm1=2.343 ppm2=2.065
assign ( resid 89 and name HB2) ( resid 89 and name H) 4.8 1.0 1.0 volume=0.157 peak=2854 ppm1=1.608 ppm2=7.160
assign ( resid 67 and name HG2) ( resid 67 and name HG3) 2.4 0.5 0.5 volume=10.438 peak=1289 ppm1=1.887 ppm2=1.967
assign ( resid 122 and name HA) ( resid 123 and name H) 4.0 0.8 0.8 volume=0.444 peak=2348 ppm1=3.676 ppm2=9.492
assign ( resid 8 and name HA) ( resid 8 and name HD1*) 3.8 0.8 0.8 volume=0.577 peak=2808 ppm1=5.297 ppm2=0.630
assign ( resid 4 and name HG3) ( resid 4 and name HB3) 2.6 0.5 0.5 volume=5.634 peak=2955 ppm1=2.221 ppm2=1.861
assign ( resid 94 and name HA3) ( resid 94 and name H) 3.9 0.8 0.8 volume=0.542 peak=972 ppm1=3.860 ppm2=8.652
assign ( resid 76 and name HG12) ( resid 76 and name HD1*) 4.0 0.8 0.8 volume=0.435 peak=1569 ppm1=0.349 ppm2=0.181
assign ( resid 36 and name HD3) ( resid 36 and name HB2) 4.6 0.9 0.9 volume=0.185 peak=917 ppm1=3.723 ppm2=2.518
assign ( resid 57 and name HE2) ( resid 57 and name HD2) 2.6 0.5 0.5 volume=5.865 peak=2627 ppm1=2.764 ppm2=1.501
assign ( resid 38 and name HB) ( resid 38 and name HG2*) 3.3 0.7 0.7 volume=1.336 peak=1093 ppm1=4.331 ppm2=1.127
assign ( resid 28 and name HG3) ( resid 28 and name HA) 3.7 0.7 0.7 volume=0.721 peak=123 ppm1=2.015 ppm2=4.986
assign ( resid 12 and name HB3) ( resid 12 and name HG) 4.4 0.9 0.9 volume=0.252 peak=796 ppm1=0.937 ppm2=1.451
assign ( resid 91 and name HG3) ( resid 91 and name HA) 3.2 0.6 0.6 volume=1.657 peak=360 ppm1=2.214 ppm2=4.551
assign ( resid 31 and name HD1*) ( resid 33 and name HG) 4.1 0.8 0.8 volume=0.398 peak=2753 ppm1=0.437 ppm2=5.920
assign ( resid 56 and name HD2*) ( resid 57 and name H) 3.4 0.7 0.7 volume=1.155 peak=1891 ppm1=-0.591 ppm2=7.976
assign ( resid 52 and name HG3) ( resid 52 and name HA) 4.3 0.9 0.9 volume=0.293 peak=293 ppm1=2.377 ppm2=4.965
assign ( resid 73 and name HB2) ( resid 73 and name HA) 5.4 1.1 1.1 volume=0.071 peak=2120 ppm1=3.061 ppm2=5.718
assign ( resid 64 and name HG2*) ( resid 64 and name HB) 2.6 0.5 0.5 volume=6.673 peak=2410 ppm1=1.254 ppm2=4.337
assign ( resid 17 and name HG3) ( resid 17 and name HB3) 3.7 0.7 0.7 volume=0.683 peak=2737 ppm1=1.775 ppm2=1.647
assign ( resid 27 and name HD1*) ( resid 27 and name HB3) 2.8 0.6 0.6 volume=3.561 peak=2855 ppm1=0.643 ppm2=1.775
assign ( resid 35 and name HG3) ( resid 35 and name HB3) 4.2 0.8 0.8 volume=0.348 peak=146 ppm1=1.177 ppm2=1.504
assign ( resid 100 and name HD3) ( resid 96 and name HD2*) 3.4 0.7 0.7 volume=1.242 peak=2260 ppm1=3.105 ppm2=0.724
assign ( resid 8 and name HG2*) ( resid 9 and name H) 3.3 0.7 0.7 volume=1.423 peak=877 ppm1=0.869 ppm2=9.760
assign ( resid 91 and name HA) ( resid 91 and name HB3) 4.0 0.8 0.8 volume=0.421 peak=899 ppm1=4.547 ppm2=1.958
assign ( resid 29 and name HG2*) ( resid 29 and name H) 3.3 0.7 0.7 volume=1.380 peak=2791 ppm1=0.552 ppm2=8.038
assign ( resid 9 and name HG2) ( resid 9 and name HA) 4.1 0.8 0.8 volume=0.369 peak=204 ppm1=2.664 ppm2=5.768
assign ( resid 119 and name HB3) ( resid 120 and name H) 3.8 0.8 0.8 volume=0.619 peak=2957 ppm1=2.118 ppm2=7.328
assign ( resid 67 and name HB3) ( resid 66 and name HA) 3.8 0.8 0.8 volume=0.580 peak=761 ppm1=1.731 ppm2=4.898
assign ( resid 122 and name HB3) ( resid 122 and name H) 4.0 0.8 0.8 volume=0.480 peak=957 ppm1=1.674 ppm2=9.213
assign ( resid 31 and name HG12) ( resid 31 and name HG2*) 3.0 0.6 0.6 volume=2.353 peak=1722 ppm1=0.788 ppm2=0.615
assign ( resid 39 and name HG2) ( resid 39 and name HB3) 3.0 0.6 0.6 volume=2.397 peak=17 ppm1=1.957 ppm2=1.809
assign ( resid 55 and name HA) ( resid 56 and name HB2) 4.1 0.8 0.8 volume=0.367 peak=2532 ppm1=4.325 ppm2=1.166
assign ( resid 117 and name HA) ( resid 118 and name HA3) 5.5 1.1 1.1 volume=0.064 peak=709 ppm1=3.716 ppm2=3.938
assign ( resid 41 and name HD3) ( resid 40 and name HA) 3.9 0.8 0.8 volume=0.562 peak=268 ppm1=3.675 ppm2=4.385
assign ( resid 12 and name HD2*) ( resid 33 and name HB3) 3.5 0.7 0.7 volume=0.923 peak=1636 ppm1=0.389 ppm2=4.542
assign ( resid 113 and name HB3) ( resid 113 and name HG2) 4.7 0.9 0.9 volume=0.168 peak=3181 ppm1=1.384 ppm2=2.175
assign ( resid 91 and name HG2) ( resid 90 and name HA) 3.6 0.7 0.7 volume=0.902 peak=21 ppm1=2.123 ppm2=4.489
assign ( resid 21 and name HG3) ( resid 21 and name HD2) 3.3 0.7 0.7 volume=1.370 peak=2396 ppm1=1.204 ppm2=1.755
assign ( resid 100 and name HD3) ( resid 100 and name HG3) 3.1 0.6 0.6 volume=2.136 peak=2989 ppm1=3.103 ppm2=1.666
assign ( resid 9 and name HB3) ( resid 9 and name HA) 4.5 0.9 0.9 volume=0.232 peak=1988 ppm1=2.561 ppm2=5.768
assign ( resid 110 and name HB2) ( resid 110 and name HD3) 4.5 0.9 0.9 volume=0.232 peak=2933 ppm1=2.642 ppm2=3.918
assign ( resid 26 and name HB*) ( resid 25 and name HA) 3.4 0.7 0.7 volume=1.252 peak=1000 ppm1=1.259 ppm2=3.257
assign ( resid 103 and name HB3) ( resid 103 and name HA) 4.5 0.9 0.9 volume=0.217 peak=1933 ppm1=3.586 ppm2=4.981
assign ( resid 96 and name HD2*) ( resid 96 and name HG) 2.6 0.5 0.5 volume=5.715 peak=559 ppm1=0.722 ppm2=1.725
assign ( resid 106 and name HG13) ( resid 106 and name HD1*) 3.1 0.6 0.6 volume=2.046 peak=1425 ppm1=1.312 ppm2=0.602
assign ( resid 98 and name HE3) ( resid 98 and name HB2) 3.5 0.7 0.7 volume=0.986 peak=1243 ppm1=2.744 ppm2=1.433
assign ( resid 21 and name HD2) ( resid 21 and name HA) 4.0 0.8 0.8 volume=0.452 peak=1085 ppm1=1.751 ppm2=4.539
assign ( resid 114 and name HB2) ( resid 113 and name HA) 4.3 0.9 0.9 volume=0.306 peak=3016 ppm1=1.798 ppm2=4.080
assign ( resid 90 and name HB3) ( resid 90 and name HG2) 2.7 0.5 0.5 volume=5.092 peak=1745 ppm1=1.996 ppm2=1.957
assign ( resid 70 and name HG2*) ( resid 54 and name HB*) 2.7 0.5 0.5 volume=4.451 peak=1856 ppm1=0.621 ppm2=0.962
assign ( resid 121 and name HB2) ( resid 122 and name HA) 4.0 0.8 0.8 volume=0.432 peak=1125 ppm1=1.725 ppm2=3.702
assign ( resid 87 and name HA) ( resid 87 and name H) 3.8 0.8 0.8 volume=0.581 peak=1114 ppm1=4.186 ppm2=9.672
assign ( resid 24 and name HB2) ( resid 24 and name HA) 3.3 0.7 0.7 volume=1.379 peak=502 ppm1=1.763 ppm2=4.755
assign ( resid 106 and name HA) ( resid 106 and name H) 4.4 0.9 0.9 volume=0.245 peak=2807 ppm1=3.902 ppm2=8.582
assign ( resid 31 and name HG13) ( resid 31 and name H) 4.2 0.8 0.8 volume=0.351 peak=2092 ppm1=0.479 ppm2=7.632
assign ( resid 57 and name HD3) ( resid 57 and name HG2) 3.0 0.6 0.6 volume=2.407 peak=2805 ppm1=1.483 ppm2=1.108
assign ( resid 113 and name HG2) ( resid 113 and name HE*) 3.9 0.8 0.8 volume=0.490 peak=3117 ppm1=2.171 ppm2=2.075
assign ( resid 116 and name HD2*) ( resid 19 and name HE*) 3.9 0.8 0.8 volume=0.548 peak=400 ppm1=0.372 ppm2=6.503
assign ( resid 4 and name HG2) ( resid 4 and name HB2) 2.4 0.5 0.5 volume=10.616 peak=413 ppm1=2.230 ppm2=2.061
assign ( resid 110 and name HB3) ( resid 110 and name HG3) 3.8 0.8 0.8 volume=0.629 peak=389 ppm1=2.118 ppm2=2.363
assign ( resid 84 and name HA) ( resid 84 and name HB2) 4.2 0.8 0.8 volume=0.345 peak=1725 ppm1=5.593 ppm2=4.001
assign ( resid 50 and name HE2) ( resid 50 and name HD3) 3.2 0.6 0.6 volume=1.602 peak=1133 ppm1=2.995 ppm2=1.838
assign ( resid 81 and name HB) ( resid 81 and name HA) 4.4 0.9 0.9 volume=0.248 peak=429 ppm1=1.600 ppm2=3.723
assign ( resid 99 and name HB) ( resid 100 and name H) 4.9 1.0 1.0 volume=0.134 peak=588 ppm1=4.153 ppm2=8.898
assign ( resid 50 and name HE2) ( resid 50 and name HD2) 2.7 0.5 0.5 volume=4.515 peak=456 ppm1=2.995 ppm2=1.795
assign ( resid 17 and name HE*) ( resid 29 and name HB) 3.6 0.7 0.7 volume=0.855 peak=2194 ppm1=1.476 ppm2=3.967
assign ( resid 57 and name HE3) ( resid 57 and name HG2) 2.9 0.6 0.6 volume=3.169 peak=269 ppm1=2.769 ppm2=1.108
assign ( resid 56 and name HD2*) ( resid 56 and name HA) 3.0 0.6 0.6 volume=2.735 peak=1147 ppm1=-0.591 ppm2=4.046
assign ( resid 36 and name HD3) ( resid 36 and name HB3) 3.6 0.7 0.7 volume=0.842 peak=1199 ppm1=3.723 ppm2=1.998
assign ( resid 113 and name HE*) ( resid 74 and name H) 3.5 0.7 0.7 volume=1.030 peak=2547 ppm1=2.075 ppm2=8.031
assign ( resid 91 and name HB3) ( resid 92 and name H) 3.7 0.7 0.7 volume=0.703 peak=1299 ppm1=1.954 ppm2=8.629
assign ( resid 119 and name HG2) ( resid 119 and name H) 3.5 0.7 0.7 volume=0.936 peak=1785 ppm1=2.700 ppm2=7.352
assign ( resid 98 and name HD3) ( resid 98 and name HE2) 3.1 0.6 0.6 volume=2.238 peak=1950 ppm1=1.257 ppm2=2.735
assign ( resid 110 and name HG2) ( resid 110 and name HB3) 4.0 0.8 0.8 volume=0.447 peak=447 ppm1=1.812 ppm2=2.122
assign ( resid 98 and name HG2) ( resid 98 and name HD3) 4.0 0.8 0.8 volume=0.442 peak=245 ppm1=-0.181 ppm2=1.261
assign ( resid 109 and name HG3) ( resid 109 and name HB2) 4.6 0.9 0.9 volume=0.183 peak=493 ppm1=-0.116 ppm2=1.998
assign ( resid 39 and name HA) ( resid 39 and name HB2) 3.6 0.7 0.7 volume=0.885 peak=108 ppm1=4.156 ppm2=2.009
assign ( resid 39 and name HD2) ( resid 39 and name HG3) 3.5 0.7 0.7 volume=1.034 peak=2558 ppm1=3.408 ppm2=1.819
assign ( resid 127 and name HA) ( resid 127 and name HD1*) 4.1 0.8 0.8 volume=0.413 peak=379 ppm1=5.021 ppm2=0.828
assign ( resid 56 and name HD1*) ( resid 66 and name HE*) 4.8 1.0 1.0 volume=0.160 peak=1654 ppm1=-0.080 ppm2=6.030
assign ( resid 68 and name HB2) ( resid 69 and name HD2) 4.7 0.9 0.9 volume=0.178 peak=1883 ppm1=3.342 ppm2=3.784
assign ( resid 17 and name HE*) ( resid 108 and name HA) 3.7 0.7 0.7 volume=0.776 peak=6 ppm1=1.475 ppm2=4.423
assign ( resid 57 and name HG2) ( resid 57 and name H) 4.5 0.9 0.9 volume=0.213 peak=829 ppm1=1.104 ppm2=7.988
assign ( resid 57 and name HB2) ( resid 57 and name HB3) 3.0 0.6 0.6 volume=2.289 peak=1591 ppm1=1.598 ppm2=1.410
assign ( resid 116 and name HB3) ( resid 116 and name HA) 4.4 0.9 0.9 volume=0.259 peak=2712 ppm1=1.212 ppm2=3.554
assign ( resid 35 and name HB2) ( resid 35 and name HA) 4.3 0.9 0.9 volume=0.295 peak=1375 ppm1=2.125 ppm2=5.120
assign ( resid 95 and name HB3) ( resid 96 and name H) 5.4 1.1 1.1 volume=0.074 peak=2833 ppm1=2.597 ppm2=7.946
assign ( resid 65 and name HB2) ( resid 66 and name H) 3.7 0.7 0.7 volume=0.714 peak=1936 ppm1=2.233 ppm2=8.076
assign ( resid 95 and name HB3) ( resid 96 and name HA) 4.8 1.0 1.0 volume=0.150 peak=974 ppm1=2.597 ppm2=3.876
assign ( resid 12 and name HD2*) ( resid 12 and name H) 3.6 0.7 0.7 volume=0.859 peak=163 ppm1=0.391 ppm2=9.542
assign ( resid 88 and name HB3) ( resid 88 and name HA) 3.9 0.8 0.8 volume=0.515 peak=2845 ppm1=3.327 ppm2=4.650
assign ( resid 28 and name HB2) ( resid 29 and name HA) 6.6 1.3 1.3 volume=0.022 peak=193 ppm1=1.493 ppm2=4.341
assign ( resid 71 and name HB2) ( resid 72 and name H) 4.3 0.9 0.9 volume=0.288 peak=1839 ppm1=1.734 ppm2=10.277
assign ( resid 127 and name HG) ( resid 127 and name HB2) 3.3 0.7 0.7 volume=1.462 peak=1222 ppm1=1.732 ppm2=1.882
assign ( resid 26 and name HA) ( resid 119 and name HE*) 4.7 0.9 0.9 volume=0.174 peak=1888 ppm1=4.442 ppm2=2.078
assign ( resid 35 and name HE2) ( resid 35 and name HD3) 3.2 0.6 0.6 volume=1.654 peak=1810 ppm1=2.917 ppm2=1.396
assign ( resid 8 and name HA) ( resid 8 and name HB) 4.1 0.8 0.8 volume=0.402 peak=1303 ppm1=5.297 ppm2=1.885
assign ( resid 17 and name HG2) ( resid 17 and name HG3) 3.4 0.7 0.7 volume=1.277 peak=3119 ppm1=2.251 ppm2=1.778
assign ( resid 50 and name HB2) ( resid 50 and name HD3) 4.1 0.8 0.8 volume=0.360 peak=1863 ppm1=1.605 ppm2=1.838
assign ( resid 12 and name HG) ( resid 12 and name HB3) 4.5 0.9 0.9 volume=0.236 peak=1380 ppm1=1.447 ppm2=0.941
assign ( resid 27 and name HB2) ( resid 27 and name HA) 3.6 0.7 0.7 volume=0.907 peak=111 ppm1=1.399 ppm2=4.493
assign ( resid 91 and name HB3) ( resid 91 and name H) 4.1 0.8 0.8 volume=0.385 peak=55 ppm1=1.955 ppm2=7.024
assign ( resid 51 and name HB3) ( resid 51 and name HB2) 2.8 0.6 0.6 volume=3.752 peak=2220 ppm1=2.050 ppm2=2.248
assign ( resid 12 and name HA) ( resid 12 and name HG) 4.3 0.9 0.9 volume=0.300 peak=438 ppm1=3.689 ppm2=1.456
assign ( resid 76 and name HD1*) ( resid 85 and name HA) 4.7 0.9 0.9 volume=0.169 peak=2372 ppm1=0.174 ppm2=5.140
assign ( resid 113 and name HA) ( resid 113 and name HB2) 3.8 0.8 0.8 volume=0.595 peak=1483 ppm1=4.076 ppm2=2.172
assign ( resid 60 and name HB2) ( resid 60 and name HA) 3.9 0.8 0.8 volume=0.525 peak=1288 ppm1=3.009 ppm2=4.954
assign ( resid 36 and name HA) ( resid 37 and name H) 4.9 1.0 1.0 volume=0.137 peak=3093 ppm1=4.378 ppm2=7.290
assign ( resid 85 and name HA) ( resid 85 and name HB3) 4.3 0.9 0.9 volume=0.297 peak=2162 ppm1=5.152 ppm2=2.359
assign ( resid 12 and name HA) ( resid 13 and name HB3) 4.8 1.0 1.0 volume=0.152 peak=1578 ppm1=3.683 ppm2=2.065
assign ( resid 47 and name HB) ( resid 47 and name HA) 4.8 1.0 1.0 volume=0.143 peak=2516 ppm1=1.958 ppm2=3.976
assign ( resid 41 and name HD3) ( resid 41 and name HA) 4.7 0.9 0.9 volume=0.170 peak=3012 ppm1=3.675 ppm2=4.245
assign ( resid 69 and name HG3) ( resid 70 and name H) 4.2 0.8 0.8 volume=0.331 peak=212 ppm1=1.902 ppm2=8.651
assign ( resid 124 and name HA) ( resid 123 and name HA2) 4.4 0.9 0.9 volume=0.260 peak=1811 ppm1=4.444 ppm2=4.291
assign ( resid 127 and name HB2) ( resid 9 and name HA) 4.8 1.0 1.0 volume=0.160 peak=2365 ppm1=1.879 ppm2=5.762
assign ( resid 53 and name HB2) ( resid 53 and name HA) 3.3 0.7 0.7 volume=1.461 peak=483 ppm1=2.602 ppm2=4.413
assign ( resid 32 and name HG2*) ( resid 32 and name H) 3.6 0.7 0.7 volume=0.905 peak=3074 ppm1=1.010 ppm2=8.259
assign ( resid 59 and name HB) ( resid 60 and name HA) 3.9 0.8 0.8 volume=0.561 peak=569 ppm1=3.851 ppm2=4.954
assign ( resid 90 and name HB3) ( resid 90 and name HG3) 3.0 0.6 0.6 volume=2.363 peak=752 ppm1=1.996 ppm2=2.078
assign ( resid 66 and name HB2) ( resid 67 and name H) 4.1 0.8 0.8 volume=0.367 peak=2150 ppm1=2.592 ppm2=8.226
assign ( resid 116 and name HD2*) ( resid 116 and name H) 3.6 0.7 0.7 volume=0.914 peak=1136 ppm1=0.374 ppm2=8.642
assign ( resid 127 and name HD1*) ( resid 127 and name HB3) 2.9 0.6 0.6 volume=2.895 peak=996 ppm1=0.820 ppm2=1.842
assign ( resid 15 and name HA) ( resid 15 and name H) 3.6 0.7 0.7 volume=0.845 peak=703 ppm1=3.372 ppm2=8.041
assign ( resid 76 and name HD1*) ( resid 41 and name HD2) 4.7 0.9 0.9 volume=0.171 peak=2875 ppm1=0.177 ppm2=3.422
assign ( resid 113 and name HE*) ( resid 113 and name HG3) 3.3 0.7 0.7 volume=1.430 peak=297 ppm1=2.071 ppm2=3.541
assign ( resid 12 and name HD2*) ( resid 12 and name HD1*) 2.6 0.5 0.5 volume=6.389 peak=1697 ppm1=0.394 ppm2=0.549
assign ( resid 26 and name HB*) ( resid 25 and name HB) 3.9 0.8 0.8 volume=0.548 peak=1356 ppm1=1.260 ppm2=1.920
assign ( resid 92 and name HB3) ( resid 92 and name H) 4.6 0.9 0.9 volume=0.201 peak=1602 ppm1=2.559 ppm2=8.621
assign ( resid 6 and name HG2*) ( resid 8 and name H) 4.7 0.9 0.9 volume=0.165 peak=1938 ppm1=1.584 ppm2=9.222
assign ( resid 95 and name HA) ( resid 95 and name HB3) 3.9 0.8 0.8 volume=0.513 peak=1120 ppm1=5.156 ppm2=2.602
assign ( resid 83 and name HG12) ( resid 83 and name HB) 4.3 0.9 0.9 volume=0.302 peak=733 ppm1=0.680 ppm2=1.476
assign ( resid 66 and name HB3) ( resid 66 and name HD*) 4.0 0.8 0.8 volume=0.481 peak=1857 ppm1=2.872 ppm2=6.363
assign ( resid 41 and name HD2) ( resid 40 and name HB) 4.0 0.8 0.8 volume=0.441 peak=153 ppm1=3.431 ppm2=3.677
assign ( resid 24 and name HG3) ( resid 24 and name HE2) 3.0 0.6 0.6 volume=2.568 peak=819 ppm1=1.387 ppm2=3.025
assign ( resid 69 and name HB2) ( resid 68 and name HA) 3.5 0.7 0.7 volume=0.995 peak=488 ppm1=2.228 ppm2=4.872
assign ( resid 83 and name HD1*) ( resid 83 and name HB) 2.8 0.6 0.6 volume=3.800 peak=566 ppm1=0.644 ppm2=1.475
assign ( resid 95 and name HB2) ( resid 94 and name HA3) 4.4 0.9 0.9 volume=0.246 peak=2029 ppm1=2.714 ppm2=3.864
assign ( resid 121 and name HG3) ( resid 121 and name HB2) 3.0 0.6 0.6 volume=2.403 peak=2469 ppm1=2.387 ppm2=1.736
assign ( resid 27 and name HA) ( resid 27 and name HB3) 3.8 0.8 0.8 volume=0.632 peak=184 ppm1=4.488 ppm2=1.777
assign ( resid 38 and name HB) ( resid 39 and name HD2) 4.4 0.9 0.9 volume=0.247 peak=1246 ppm1=4.332 ppm2=3.412
assign ( resid 39 and name HA) ( resid 40 and name HB) 4.5 0.9 0.9 volume=0.212 peak=106 ppm1=4.156 ppm2=3.677
assign ( resid 53 and name HA) ( resid 52 and name HB3) 5.0 1.0 1.0 volume=0.116 peak=1134 ppm1=4.409 ppm2=1.826
assign ( resid 31 and name HD1*) ( resid 107 and name H) 4.2 0.8 0.8 volume=0.334 peak=2557 ppm1=0.434 ppm2=8.902
assign ( resid 36 and name HG2) ( resid 36 and name HA) 4.2 0.8 0.8 volume=0.358 peak=2975 ppm1=1.844 ppm2=4.382
assign ( resid 12 and name HD2*) ( resid 12 and name HA) 2.8 0.6 0.6 volume=3.582 peak=2622 ppm1=0.391 ppm2=3.685
assign ( resid 71 and name HA) ( resid 71 and name HD22) 4.4 0.9 0.9 volume=0.255 peak=1794 ppm1=4.317 ppm2=6.918
assign ( resid 25 and name HG1*) ( resid 24 and name HB3) 3.6 0.7 0.7 volume=0.869 peak=2138 ppm1=0.680 ppm2=1.692
assign ( resid 98 and name HD2) ( resid 98 and name HB2) 3.3 0.7 0.7 volume=1.505 peak=423 ppm1=1.242 ppm2=1.433
assign ( resid 111 and name HB2) ( resid 112 and name H) 4.3 0.9 0.9 volume=0.308 peak=2083 ppm1=3.889 ppm2=6.727
assign ( resid 17 and name HE*) ( resid 19 and name H) 4.7 0.9 0.9 volume=0.168 peak=3089 ppm1=1.476 ppm2=9.116
assign ( resid 38 and name HA) ( resid 39 and name HD2) 4.1 0.8 0.8 volume=0.365 peak=473 ppm1=4.570 ppm2=3.412
assign ( resid 111 and name HA) ( resid 110 and name HB3) 5.0 1.0 1.0 volume=0.111 peak=241 ppm1=3.888 ppm2=2.122
assign ( resid 89 and name HA) ( resid 90 and name HD2) 4.1 0.8 0.8 volume=0.368 peak=220 ppm1=5.165 ppm2=4.092
assign ( resid 62 and name HB2) ( resid 62 and name HA) 3.2 0.6 0.6 volume=1.564 peak=1545 ppm1=2.623 ppm2=4.530
assign ( resid 12 and name HD1*) ( resid 12 and name HD2*) 2.7 0.5 0.5 volume=4.361 peak=144 ppm1=0.546 ppm2=0.393
assign ( resid 29 and name HG2*) ( resid 109 and name HG3) 4.2 0.8 0.8 volume=0.320 peak=2661 ppm1=0.547 ppm2=-0.104
assign ( resid 91 and name HB2) ( resid 91 and name HA) 3.6 0.7 0.7 volume=0.865 peak=934 ppm1=1.646 ppm2=4.553
assign ( resid 47 and name HB) ( resid 47 and name HG2*) 3.5 0.7 0.7 volume=0.927 peak=861 ppm1=1.958 ppm2=0.749
assign ( resid 100 and name HG3) ( resid 100 and name HD2) 3.4 0.7 0.7 volume=1.194 peak=2130 ppm1=1.668 ppm2=3.224
assign ( resid 28 and name HB2) ( resid 29 and name H) 4.5 0.9 0.9 volume=0.223 peak=2060 ppm1=1.493 ppm2=8.044
assign ( resid 27 and name HB2) ( resid 28 and name H) 4.2 0.8 0.8 volume=0.323 peak=816 ppm1=1.399 ppm2=8.434
assign ( resid 59 and name HG2*) ( resid 60 and name H) 3.1 0.6 0.6 volume=2.112 peak=2024 ppm1=1.127 ppm2=9.481
assign ( resid 114 and name HG3) ( resid 114 and name HE2) 3.4 0.7 0.7 volume=1.136 peak=1755 ppm1=1.348 ppm2=2.989
assign ( resid 63 and name HA2) ( resid 63 and name H) 3.6 0.7 0.7 volume=0.793 peak=941 ppm1=3.602 ppm2=8.149
assign ( resid 110 and name HA) ( resid 111 and name HB2) 4.3 0.9 0.9 volume=0.275 peak=1020 ppm1=3.994 ppm2=3.893
assign ( resid 21 and name HB3) ( resid 21 and name HE3) 4.7 0.9 0.9 volume=0.181 peak=2518 ppm1=1.519 ppm2=3.001
assign ( resid 35 and name HB3) ( resid 35 and name HE2) 5.5 1.1 1.1 volume=0.067 peak=2800 ppm1=1.500 ppm2=2.921
assign ( resid 8 and name HG2*) ( resid 17 and name HA) 4.1 0.8 0.8 volume=0.371 peak=1127 ppm1=0.869 ppm2=5.631
assign ( resid 119 and name HE*) ( resid 114 and name H) 4.6 0.9 0.9 volume=0.207 peak=1515 ppm1=2.071 ppm2=7.487
assign ( resid 98 and name HA) ( resid 98 and name H) 4.2 0.8 0.8 volume=0.317 peak=2438 ppm1=3.095 ppm2=6.529
assign ( resid 122 and name HE3) ( resid 122 and name HB3) 3.6 0.7 0.7 volume=0.814 peak=3163 ppm1=3.094 ppm2=1.678
assign ( resid 46 and name HA) ( resid 45 and name HA) 5.2 1.0 1.0 volume=0.090 peak=2134 ppm1=5.161 ppm2=5.058
assign ( resid 40 and name HA) ( resid 41 and name HD3) 4.1 0.8 0.8 volume=0.416 peak=1283 ppm1=4.381 ppm2=3.679
assign ( resid 114 and name HB2) ( resid 114 and name HG2) 3.8 0.8 0.8 volume=0.603 peak=203 ppm1=1.798 ppm2=1.141
assign ( resid 107 and name HA) ( resid 108 and name H) 4.2 0.8 0.8 volume=0.356 peak=74 ppm1=3.986 ppm2=8.163
assign ( resid 69 and name HD3) ( resid 68 and name HB3) 4.5 0.9 0.9 volume=0.227 peak=1975 ppm1=3.652 ppm2=3.391
assign ( resid 94 and name HA3) ( resid 93 and name HA3) 5.0 1.0 1.0 volume=0.121 peak=1392 ppm1=3.860 ppm2=4.478
assign ( resid 70 and name HG2*) ( resid 68 and name HB3) 4.4 0.9 0.9 volume=0.260 peak=1817 ppm1=0.622 ppm2=3.368
assign ( resid 110 and name HD2) ( resid 110 and name HA) 4.6 0.9 0.9 volume=0.184 peak=1333 ppm1=3.820 ppm2=3.998
assign ( resid 112 and name HG2*) ( resid 112 and name HB) 2.5 0.5 0.5 volume=6.987 peak=1183 ppm1=0.877 ppm2=1.752
assign ( resid 92 and name HB2) ( resid 92 and name HB3) 4.3 0.9 0.9 volume=0.310 peak=2950 ppm1=2.311 ppm2=2.560
assign ( resid 32 and name HG1*) ( resid 32 and name H) 3.8 0.8 0.8 volume=0.597 peak=127 ppm1=1.118 ppm2=8.265
assign ( resid 39 and name HD2) ( resid 38 and name HA) 3.5 0.7 0.7 volume=0.934 peak=1554 ppm1=3.408 ppm2=4.574
assign ( resid 127 and name HD1*) ( resid 119 and name HE*) 3.0 0.6 0.6 volume=2.462 peak=1684 ppm1=0.818 ppm2=2.070
assign ( resid 64 and name HB) ( resid 63 and name HA3) 3.0 0.6 0.6 volume=2.475 peak=1346 ppm1=4.330 ppm2=4.359
assign ( resid 25 and name HB) ( resid 24 and name HA) 3.7 0.7 0.7 volume=0.697 peak=2868 ppm1=1.913 ppm2=4.749
assign ( resid 73 and name HB2) ( resid 73 and name HD1) 5.2 1.0 1.0 volume=0.091 peak=1235 ppm1=3.061 ppm2=7.152
assign ( resid 51 and name HG2) ( resid 52 and name H) 3.6 0.7 0.7 volume=0.842 peak=314 ppm1=2.288 ppm2=8.698
assign ( resid 9 and name HB3) ( resid 10 and name H) 4.5 0.9 0.9 volume=0.220 peak=219 ppm1=2.561 ppm2=9.800
assign ( resid 21 and name HG3) ( resid 21 and name HE2) 3.3 0.7 0.7 volume=1.403 peak=1520 ppm1=1.204 ppm2=3.027
assign ( resid 96 and name HA) ( resid 96 and name HB3) 4.0 0.8 0.8 volume=0.449 peak=918 ppm1=3.872 ppm2=2.103
assign ( resid 106 and name HA) ( resid 106 and name HD1*) 3.5 0.7 0.7 volume=1.062 peak=2617 ppm1=3.902 ppm2=0.602
assign ( resid 35 and name HG2) ( resid 35 and name HD2) 3.5 0.7 0.7 volume=0.974 peak=1544 ppm1=1.594 ppm2=1.602
assign ( resid 122 and name HG2) ( resid 122 and name HD2) 3.3 0.7 0.7 volume=1.341 peak=604 ppm1=1.387 ppm2=1.789
assign ( resid 17 and name HG2) ( resid 17 and name HB3) 3.8 0.8 0.8 volume=0.617 peak=2279 ppm1=2.257 ppm2=1.647
assign ( resid 24 and name HD3) ( resid 24 and name HB2) 2.8 0.6 0.6 volume=3.495 peak=1128 ppm1=1.656 ppm2=1.767
assign ( resid 17 and name HA) ( resid 18 and name H) 3.8 0.8 0.8 volume=0.573 peak=77 ppm1=5.631 ppm2=9.641
assign ( resid 121 and name HB3) ( resid 121 and name HG2) 3.2 0.6 0.6 volume=1.749 peak=2903 ppm1=2.067 ppm2=2.237
assign ( resid 26 and name HB*) ( resid 19 and name HB3) 3.8 0.8 0.8 volume=0.608 peak=2125 ppm1=1.259 ppm2=2.558
assign ( resid 81 and name HG1*) ( resid 81 and name HA) 3.2 0.6 0.6 volume=1.675 peak=2857 ppm1=0.753 ppm2=3.723
assign ( resid 108 and name HA) ( resid 109 and name HD2) 4.7 0.9 0.9 volume=0.171 peak=2227 ppm1=4.418 ppm2=3.056
assign ( resid 125 and name HB3) ( resid 125 and name HG3) 3.7 0.7 0.7 volume=0.709 peak=2160 ppm1=1.905 ppm2=2.363
assign ( resid 96 and name HD1*) ( resid 96 and name HB2) 2.8 0.6 0.6 volume=3.433 peak=597 ppm1=0.619 ppm2=1.129
assign ( resid 6 and name HG2*) ( resid 19 and name HE*) 3.0 0.6 0.6 volume=2.419 peak=115 ppm1=1.582 ppm2=6.503
assign ( resid 24 and name HB2) ( resid 25 and name HA) 5.1 1.0 1.0 volume=0.100 peak=1552 ppm1=1.763 ppm2=3.254
assign ( resid 83 and name HG2*) ( resid 83 and name HG13) 2.9 0.6 0.6 volume=3.381 peak=2301 ppm1=0.718 ppm2=1.496
assign ( resid 100 and name HB2) ( resid 100 and name HE) 4.4 0.9 0.9 volume=0.246 peak=2391 ppm1=2.282 ppm2=7.196
assign ( resid 23 and name HA3) ( resid 22 and name HB3) 4.9 1.0 1.0 volume=0.140 peak=3150 ppm1=4.205 ppm2=2.894
assign ( resid 76 and name HD1*) ( resid 47 and name HA) 4.4 0.9 0.9 volume=0.267 peak=1443 ppm1=0.173 ppm2=3.977
assign ( resid 69 and name HD2) ( resid 68 and name HB2) 4.4 0.9 0.9 volume=0.264 peak=718 ppm1=3.780 ppm2=3.346
assign ( resid 35 and name HB2) ( resid 36 and name HD3) 4.3 0.9 0.9 volume=0.280 peak=2745 ppm1=2.125 ppm2=3.727
assign ( resid 100 and name HG2) ( resid 100 and name HB2) 3.2 0.6 0.6 volume=1.589 peak=1166 ppm1=1.651 ppm2=2.286
assign ( resid 7 and name HB2) ( resid 7 and name HA) 4.2 0.8 0.8 volume=0.325 peak=2508 ppm1=2.725 ppm2=5.076
assign ( resid 6 and name HG2*) ( resid 20 and name H) 4.6 0.9 0.9 volume=0.200 peak=307 ppm1=1.583 ppm2=8.950
assign ( resid 4 and name HA) ( resid 4 and name HB2) 3.1 0.6 0.6 volume=2.083 peak=2704 ppm1=4.303 ppm2=2.057
assign ( resid 122 and name HA) ( resid 122 and name HB2) 3.6 0.7 0.7 volume=0.788 peak=3111 ppm1=3.682 ppm2=1.692
assign ( resid 31 and name HG12) ( resid 31 and name HG13) 3.1 0.6 0.6 volume=2.132 peak=1517 ppm1=0.790 ppm2=0.476
assign ( resid 96 and name HD2*) ( resid 96 and name H) 3.1 0.6 0.6 volume=1.967 peak=1978 ppm1=0.724 ppm2=7.944
assign ( resid 110 and name HB2) ( resid 111 and name HA) 4.5 0.9 0.9 volume=0.216 peak=1782 ppm1=2.642 ppm2=3.892
assign ( resid 21 and name HB2) ( resid 21 and name HE2) 4.6 0.9 0.9 volume=0.185 peak=2069 ppm1=1.105 ppm2=3.027
assign ( resid 51 and name HB2) ( resid 51 and name HA) 3.7 0.7 0.7 volume=0.758 peak=2606 ppm1=2.241 ppm2=4.980
assign ( resid 21 and name HB3) ( resid 20 and name HA) 4.2 0.8 0.8 volume=0.329 peak=908 ppm1=1.519 ppm2=4.453
assign ( resid 35 and name HG2) ( resid 35 and name HE2) 4.4 0.9 0.9 volume=0.257 peak=2093 ppm1=1.593 ppm2=2.913
assign ( resid 30 and name HA) ( resid 31 and name HD1*) 4.3 0.9 0.9 volume=0.273 peak=694 ppm1=5.348 ppm2=0.439
assign ( resid 98 and name HE2) ( resid 98 and name HG3) 4.0 0.8 0.8 volume=0.455 peak=1705 ppm1=2.731 ppm2=-0.328
assign ( resid 122 and name HB2) ( resid 122 and name HD3) 3.4 0.7 0.7 volume=1.253 peak=994 ppm1=1.687 ppm2=1.808
assign ( resid 106 and name HG13) ( resid 106 and name H) 4.5 0.9 0.9 volume=0.230 peak=2212 ppm1=1.311 ppm2=8.579
assign ( resid 115 and name HG2) ( resid 115 and name HB3) 2.5 0.5 0.5 volume=7.194 peak=3178 ppm1=2.198 ppm2=2.017
assign ( resid 4 and name HA) ( resid 5 and name H) 3.1 0.6 0.6 volume=2.115 peak=1806 ppm1=4.303 ppm2=8.421
assign ( resid 25 and name HG1*) ( resid 20 and name HD*) 3.4 0.7 0.7 volume=1.219 peak=138 ppm1=0.680 ppm2=6.206
assign ( resid 64 and name HG2*) ( resid 64 and name H) 3.0 0.6 0.6 volume=2.448 peak=1920 ppm1=1.255 ppm2=8.118
assign ( resid 69 and name HB3) ( resid 69 and name HG3) 2.4 0.5 0.5 volume=10.339 peak=1670 ppm1=1.900 ppm2=1.906
assign ( resid 90 and name HA) ( resid 90 and name HB2) 3.4 0.7 0.7 volume=1.297 peak=2338 ppm1=4.485 ppm2=2.300
assign ( resid 57 and name HB3) ( resid 57 and name HA) 4.1 0.8 0.8 volume=0.410 peak=2766 ppm1=1.406 ppm2=4.646
assign ( resid 40 and name HG2*) ( resid 12 and name HD1*) 2.9 0.6 0.6 volume=3.267 peak=3148 ppm1=1.120 ppm2=0.548
assign ( resid 27 and name HB2) ( resid 19 and name HB3) 4.1 0.8 0.8 volume=0.364 peak=3030 ppm1=1.393 ppm2=2.554
assign ( resid 42 and name HA) ( resid 42 and name H) 4.5 0.9 0.9 volume=0.223 peak=240 ppm1=4.351 ppm2=7.592
assign ( resid 113 and name HA) ( resid 112 and name HB) 3.7 0.7 0.7 volume=0.698 peak=2161 ppm1=4.076 ppm2=1.744
assign ( resid 122 and name HD2) ( resid 122 and name HE2) 3.6 0.7 0.7 volume=0.904 peak=187 ppm1=1.785 ppm2=3.012
assign ( resid 113 and name HE*) ( resid 85 and name HA) 4.3 0.9 0.9 volume=0.278 peak=1364 ppm1=2.073 ppm2=5.146
assign ( resid 100 and name HB2) ( resid 100 and name HG3) 3.2 0.6 0.6 volume=1.598 peak=2172 ppm1=2.282 ppm2=1.672
assign ( resid 38 and name HB) ( resid 37 and name HA) 4.8 1.0 1.0 volume=0.155 peak=955 ppm1=4.332 ppm2=4.268
assign ( resid 7 and name HA) ( resid 7 and name HB2) 4.9 1.0 1.0 volume=0.135 peak=2115 ppm1=5.072 ppm2=2.729
assign ( resid 97 and name HB3) ( resid 97 and name HA) 4.9 1.0 1.0 volume=0.134 peak=2759 ppm1=3.089 ppm2=3.744
assign ( resid 21 and name HG3) ( resid 21 and name HB2) 2.9 0.6 0.6 volume=2.883 peak=1773 ppm1=1.204 ppm2=1.109
assign ( resid 91 and name HB3) ( resid 91 and name HA) 3.4 0.7 0.7 volume=1.181 peak=2517 ppm1=1.954 ppm2=4.556
assign ( resid 70 and name HG1*) ( resid 56 and name HD2*) 3.6 0.7 0.7 volume=0.842 peak=306 ppm1=1.016 ppm2=-0.588
assign ( resid 65 and name HD3) ( resid 64 and name HG2*) 3.4 0.7 0.7 volume=1.096 peak=1739 ppm1=3.884 ppm2=1.257
assign ( resid 127 and name HB3) ( resid 128 and name HA) 4.1 0.8 0.8 volume=0.395 peak=1270 ppm1=1.838 ppm2=5.041
assign ( resid 47 and name HG2*) ( resid 47 and name HB) 3.1 0.6 0.6 volume=2.185 peak=1633 ppm1=0.742 ppm2=1.964
assign ( resid 125 and name HG2) ( resid 7 and name HB2) 4.7 0.9 0.9 volume=0.166 peak=201 ppm1=2.158 ppm2=2.724
assign ( resid 37 and name HA) ( resid 38 and name HB) 3.1 0.6 0.6 volume=1.974 peak=2415 ppm1=4.264 ppm2=4.336
assign ( resid 24 and name HD2) ( resid 24 and name HE2) 2.8 0.6 0.6 volume=3.498 peak=60 ppm1=1.700 ppm2=3.025
assign ( resid 36 and name HG3) ( resid 36 and name HA) 3.9 0.8 0.8 volume=0.521 peak=1690 ppm1=2.022 ppm2=4.382
assign ( resid 74 and name HG2) ( resid 74 and name HB2) 4.4 0.9 0.9 volume=0.268 peak=1597 ppm1=2.442 ppm2=1.979
assign ( resid 98 and name HE3) ( resid 97 and name HE1) 4.5 0.9 0.9 volume=0.234 peak=1373 ppm1=2.756 ppm2=10.648
assign ( resid 30 and name HB3) ( resid 30 and name H) 3.7 0.7 0.7 volume=0.687 peak=1672 ppm1=2.672 ppm2=8.393
assign ( resid 30 and name HB2) ( resid 29 and name HA) 4.4 0.9 0.9 volume=0.244 peak=2775 ppm1=2.573 ppm2=4.341
assign ( resid 4 and name HA) ( resid 4 and name HB3) 3.1 0.6 0.6 volume=1.899 peak=2117 ppm1=4.303 ppm2=1.861
assign ( resid 24 and name HE2) ( resid 24 and name HD2) 2.4 0.5 0.5 volume=10.070 peak=2825 ppm1=3.021 ppm2=1.704
assign ( resid 6 and name HG2*) ( resid 7 and name H) 3.1 0.6 0.6 volume=2.040 peak=526 ppm1=1.578 ppm2=8.632
assign ( resid 100 and name HD3) ( resid 100 and name HB3) 3.5 0.7 0.7 volume=0.999 peak=864 ppm1=3.104 ppm2=1.483
assign ( resid 6 and name HG2*) ( resid 5 and name HA) 4.1 0.8 0.8 volume=0.368 peak=1637 ppm1=1.580 ppm2=4.667
assign ( resid 25 and name HG1*) ( resid 18 and name HZ3) 4.6 0.9 0.9 volume=0.195 peak=2267 ppm1=0.679 ppm2=7.237
assign ( resid 29 and name HG2*) ( resid 29 and name HA) 3.3 0.7 0.7 volume=1.316 peak=1503 ppm1=0.552 ppm2=4.341
assign ( resid 25 and name HG1*) ( resid 20 and name H) 4.6 0.9 0.9 volume=0.200 peak=2019 ppm1=0.680 ppm2=8.966
assign ( resid 39 and name HB2) ( resid 39 and name HG2) 2.7 0.5 0.5 volume=4.519 peak=1090 ppm1=2.005 ppm2=1.961
assign ( resid 7 and name HA) ( resid 8 and name H) 4.6 0.9 0.9 volume=0.196 peak=1587 ppm1=5.072 ppm2=9.223
assign ( resid 51 and name HB2) ( resid 51 and name HG3) 2.8 0.6 0.6 volume=3.867 peak=1557 ppm1=2.243 ppm2=2.263
assign ( resid 110 and name HD3) ( resid 109 and name HA) 4.2 0.8 0.8 volume=0.352 peak=1262 ppm1=3.914 ppm2=4.419
assign ( resid 41 and name HD2) ( resid 41 and name HA) 4.9 1.0 1.0 volume=0.141 peak=2523 ppm1=3.431 ppm2=4.245
assign ( resid 91 and name HB2) ( resid 91 and name H) 4.0 0.8 0.8 volume=0.432 peak=1909 ppm1=1.646 ppm2=7.021
assign ( resid 90 and name HD2) ( resid 90 and name HA) 4.8 1.0 1.0 volume=0.150 peak=1830 ppm1=4.088 ppm2=4.489
assign ( resid 109 and name HG2) ( resid 109 and name HD2) 4.0 0.8 0.8 volume=0.473 peak=362 ppm1=1.383 ppm2=3.056
assign ( resid 21 and name HD2) ( resid 21 and name H) 5.0 1.0 1.0 volume=0.121 peak=3056 ppm1=1.751 ppm2=8.453
assign ( resid 129 and name HB2) ( resid 129 and name HB3) 3.1 0.6 0.6 volume=1.940 peak=1079 ppm1=3.170 ppm2=2.982
assign ( resid 6 and name HG2*) ( resid 120 and name HG1*) 4.3 0.9 0.9 volume=0.281 peak=745 ppm1=1.584 ppm2=0.201
assign ( resid 17 and name HA) ( resid 17 and name HB2) 3.8 0.8 0.8 volume=0.597 peak=2031 ppm1=5.626 ppm2=1.481
assign ( resid 3 and name HG3) ( resid 3 and name HB2) 3.2 0.6 0.6 volume=1.731 peak=46 ppm1=2.411 ppm2=1.934
assign ( resid 119 and name HG3) ( resid 119 and name HE*) 3.3 0.7 0.7 volume=1.551 peak=3121 ppm1=2.558 ppm2=2.081
assign ( resid 35 and name HG2) ( resid 35 and name HD3) 4.4 0.9 0.9 volume=0.260 peak=1530 ppm1=1.594 ppm2=1.396
assign ( resid 115 and name HG3) ( resid 115 and name HB3) 2.6 0.5 0.5 volume=5.801 peak=2176 ppm1=2.354 ppm2=2.016
assign ( resid 99 and name HB) ( resid 99 and name H) 4.3 0.9 0.9 volume=0.282 peak=1461 ppm1=4.152 ppm2=7.391
assign ( resid 94 and name HA3) ( resid 95 and name HB2) 5.4 1.1 1.1 volume=0.070 peak=2998 ppm1=3.860 ppm2=2.718
assign ( resid 85 and name HA) ( resid 84 and name HB2) 4.0 0.8 0.8 volume=0.450 peak=1231 ppm1=5.152 ppm2=4.001
assign ( resid 27 and name HB3) ( resid 27 and name HD2*) 3.3 0.7 0.7 volume=1.347 peak=2052 ppm1=1.773 ppm2=0.814
assign ( resid 76 and name HB) ( resid 76 and name HD1*) 4.4 0.9 0.9 volume=0.252 peak=2705 ppm1=2.020 ppm2=0.187
assign ( resid 121 and name HG2) ( resid 121 and name HB2) 3.0 0.6 0.6 volume=2.763 peak=2510 ppm1=2.238 ppm2=1.736
assign ( resid 122 and name HG2) ( resid 122 and name HB2) 3.4 0.7 0.7 volume=1.194 peak=1002 ppm1=1.387 ppm2=1.691
assign ( resid 114 and name HD2) ( resid 114 and name HB3) 2.7 0.5 0.5 volume=4.946 peak=1894 ppm1=1.693 ppm2=1.768
assign ( resid 109 and name HD2) ( resid 109 and name HG2) 4.7 0.9 0.9 volume=0.163 peak=1370 ppm1=3.052 ppm2=1.387
assign ( resid 74 and name HE*) ( resid 116 and name HG) 2.9 0.6 0.6 volume=3.219 peak=1573 ppm1=1.634 ppm2=1.132
assign ( resid 56 and name HD2*) ( resid 73 and name HE1) 4.6 0.9 0.9 volume=0.202 peak=2011 ppm1=-0.588 ppm2=10.283
assign ( resid 122 and name HD3) ( resid 122 and name HB2) 3.1 0.6 0.6 volume=1.994 peak=265 ppm1=1.804 ppm2=1.691
assign ( resid 64 and name HA) ( resid 63 and name HA3) 4.2 0.8 0.8 volume=0.332 peak=2835 ppm1=4.566 ppm2=4.359
assign ( resid 39 and name HA) ( resid 39 and name HG2) 3.7 0.7 0.7 volume=0.679 peak=1252 ppm1=4.156 ppm2=1.961
assign ( resid 110 and name HB2) ( resid 110 and name HD2) 4.6 0.9 0.9 volume=0.197 peak=1225 ppm1=2.642 ppm2=3.824
assign ( resid 64 and name HA) ( resid 64 and name HB) 4.1 0.8 0.8 volume=0.401 peak=1721 ppm1=4.567 ppm2=4.336
assign ( resid 29 and name HB) ( resid 29 and name HG1) 4.3 0.9 0.9 volume=0.280 peak=1249 ppm1=3.955 ppm2=5.485
assign ( resid 69 and name HB3) ( resid 69 and name HD2) 3.7 0.7 0.7 volume=0.738 peak=2000 ppm1=1.900 ppm2=3.784
assign ( resid 90 and name HB3) ( resid 90 and name HA) 3.2 0.6 0.6 volume=1.598 peak=1749 ppm1=1.996 ppm2=4.489
assign ( resid 17 and name HE*) ( resid 18 and name HE3) 4.5 0.9 0.9 volume=0.216 peak=1407 ppm1=1.475 ppm2=7.915
assign ( resid 113 and name HG3) ( resid 113 and name HB3) 5.0 1.0 1.0 volume=0.121 peak=2240 ppm1=3.537 ppm2=1.388
assign ( resid 81 and name HA) ( resid 81 and name HG2*) 4.0 0.8 0.8 volume=0.482 peak=1886 ppm1=3.719 ppm2=0.586
assign ( resid 21 and name HG2) ( resid 21 and name HD2) 3.3 0.7 0.7 volume=1.377 peak=2992 ppm1=1.215 ppm2=1.755
assign ( resid 108 and name HB) ( resid 109 and name HA) 4.4 0.9 0.9 volume=0.241 peak=2063 ppm1=3.403 ppm2=4.419
assign ( resid 9 and name HG2) ( resid 9 and name HB3) 3.1 0.6 0.6 volume=2.025 peak=1869 ppm1=2.664 ppm2=2.565
assign ( resid 45 and name HB3) ( resid 44 and name HA) 8.0 1.6 0.0 volume=0.005 peak=2271 ppm1=2.455 ppm2=4.411
assign ( resid 70 and name HG2*) ( resid 73 and name HB2) 3.8 0.8 0.8 volume=0.612 peak=885 ppm1=0.620 ppm2=3.052
assign ( resid 21 and name HB2) ( resid 21 and name HA) 4.0 0.8 0.8 volume=0.483 peak=1258 ppm1=1.105 ppm2=4.539
assign ( resid 90 and name HD2) ( resid 89 and name HA) 3.8 0.8 0.8 volume=0.585 peak=1671 ppm1=4.089 ppm2=5.176
assign ( resid 100 and name HB3) ( resid 100 and name HA) 3.6 0.7 0.7 volume=0.875 peak=1771 ppm1=1.479 ppm2=4.776
assign ( resid 79 and name HG2*) ( resid 79 and name HB) 3.2 0.6 0.6 volume=1.614 peak=2907 ppm1=0.860 ppm2=4.382
assign ( resid 44 and name HG1*) ( resid 44 and name HB) 2.8 0.6 0.6 volume=4.131 peak=3131 ppm1=0.769 ppm2=1.792
assign ( resid 67 and name HG3) ( resid 68 and name H) 4.2 0.8 0.8 volume=0.340 peak=748 ppm1=1.961 ppm2=9.308
assign ( resid 105 and name HB3) ( resid 105 and name H) 4.8 1.0 1.0 volume=0.155 peak=2096 ppm1=4.098 ppm2=7.735
assign ( resid 41 and name HB2) ( resid 45 and name HE*) 4.4 0.9 0.9 volume=0.247 peak=3153 ppm1=1.845 ppm2=6.848
assign ( resid 65 and name HB2) ( resid 65 and name HD3) 3.9 0.8 0.8 volume=0.550 peak=1406 ppm1=2.232 ppm2=3.889
assign ( resid 106 and name HA) ( resid 107 and name H) 3.7 0.7 0.7 volume=0.726 peak=1458 ppm1=3.902 ppm2=8.911
assign ( resid 118 and name HA3) ( resid 117 and name HA) 4.0 0.8 0.8 volume=0.441 peak=133 ppm1=3.934 ppm2=3.720
assign ( resid 116 and name HA) ( resid 117 and name HB3) 4.5 0.9 0.9 volume=0.208 peak=1293 ppm1=3.550 ppm2=2.537
assign ( resid 65 and name HD3) ( resid 64 and name HA) 3.2 0.6 0.6 volume=1.713 peak=2458 ppm1=3.882 ppm2=4.571
assign ( resid 127 and name HG) ( resid 127 and name H) 4.1 0.8 0.8 volume=0.380 peak=1061 ppm1=1.732 ppm2=9.594
assign ( resid 106 and name HD1*) ( resid 106 and name HG12) 2.6 0.5 0.5 volume=6.447 peak=2676 ppm1=0.598 ppm2=0.822
assign ( resid 39 and name HD2) ( resid 39 and name HG2) 3.5 0.7 0.7 volume=0.922 peak=1121 ppm1=3.408 ppm2=1.961
assign ( resid 8 and name HG2*) ( resid 9 and name HA) 4.2 0.8 0.8 volume=0.341 peak=192 ppm1=0.869 ppm2=5.767
assign ( resid 25 and name HB) ( resid 25 and name H) 3.3 0.7 0.7 volume=1.488 peak=1742 ppm1=1.914 ppm2=8.697
assign ( resid 32 and name HB) ( resid 32 and name HG2*) 3.8 0.8 0.8 volume=0.622 peak=1778 ppm1=1.895 ppm2=1.019
assign ( resid 28 and name HG3) ( resid 28 and name HB2) 3.7 0.7 0.7 volume=0.730 peak=857 ppm1=2.016 ppm2=1.485
assign ( resid 98 and name HD2) ( resid 98 and name H) 4.0 0.8 0.8 volume=0.467 peak=671 ppm1=1.242 ppm2=6.526
assign ( resid 44 and name HB) ( resid 43 and name HA3) 4.5 0.9 0.9 volume=0.230 peak=2488 ppm1=1.788 ppm2=4.032
assign ( resid 22 and name HA) ( resid 23 and name HA2) 4.5 0.9 0.9 volume=0.228 peak=1990 ppm1=4.169 ppm2=3.763
assign ( resid 24 and name HB3) ( resid 24 and name HD2) 2.5 0.5 0.5 volume=7.608 peak=2916 ppm1=1.686 ppm2=1.694
assign ( resid 49 and name HB2) ( resid 50 and name H) 3.9 0.8 0.8 volume=0.508 peak=2156 ppm1=2.677 ppm2=7.687
assign ( resid 13 and name HB2) ( resid 12 and name H) 4.6 0.9 0.9 volume=0.197 peak=1879 ppm1=2.201 ppm2=9.544
assign ( resid 31 and name HG13) ( resid 31 and name HG2*) 3.0 0.6 0.6 volume=2.688 peak=1043 ppm1=0.478 ppm2=0.612
assign ( resid 67 and name HB3) ( resid 68 and name H) 4.0 0.8 0.8 volume=0.438 peak=2347 ppm1=1.731 ppm2=9.309
assign ( resid 9 and name HA) ( resid 10 and name HB) 4.7 0.9 0.9 volume=0.178 peak=3063 ppm1=5.764 ppm2=2.149
assign ( resid 114 and name HA) ( resid 114 and name HE2) 4.3 0.9 0.9 volume=0.311 peak=2946 ppm1=2.838 ppm2=2.989
assign ( resid 28 and name HB3) ( resid 28 and name HG2) 2.9 0.6 0.6 volume=3.199 peak=954 ppm1=1.918 ppm2=1.916
assign ( resid 100 and name HB3) ( resid 100 and name HG3) 3.3 0.7 0.7 volume=1.459 peak=2307 ppm1=1.481 ppm2=1.672
assign ( resid 59 and name HB) ( resid 38 and name HA) 4.7 0.9 0.9 volume=0.170 peak=1130 ppm1=3.847 ppm2=4.588
assign ( resid 26 and name HA) ( resid 25 and name HA) 4.5 0.9 0.9 volume=0.216 peak=160 ppm1=4.447 ppm2=3.258
assign ( resid 88 and name HB2) ( resid 88 and name H) 4.4 0.9 0.9 volume=0.249 peak=2200 ppm1=3.456 ppm2=7.008
assign ( resid 56 and name HD1*) ( resid 56 and name H) 3.9 0.8 0.8 volume=0.508 peak=811 ppm1=-0.088 ppm2=8.264
assign ( resid 101 and name HA2) ( resid 102 and name HB2) 5.0 1.0 1.0 volume=0.115 peak=1202 ppm1=4.223 ppm2=4.733
assign ( resid 76 and name HD1*) ( resid 76 and name HG2*) 2.6 0.5 0.5 volume=6.115 peak=2436 ppm1=0.173 ppm2=0.663
assign ( resid 36 and name HA) ( resid 36 and name HG3) 3.5 0.7 0.7 volume=0.961 peak=2572 ppm1=4.378 ppm2=2.026
assign ( resid 3 and name HE*) ( resid 3 and name HG2) 3.2 0.6 0.6 volume=1.565 peak=2623 ppm1=1.951 ppm2=2.335
assign ( resid 42 and name HA) ( resid 43 and name H) 3.8 0.8 0.8 volume=0.624 peak=1974 ppm1=4.351 ppm2=9.156
assign ( resid 10 and name HA) ( resid 10 and name HG1*) 4.4 0.9 0.9 volume=0.247 peak=229 ppm1=4.527 ppm2=0.616
assign ( resid 26 and name HB*) ( resid 18 and name HA) 4.7 0.9 0.9 volume=0.175 peak=1589 ppm1=1.255 ppm2=4.962
assign ( resid 114 and name HD3) ( resid 114 and name HG3) 3.2 0.6 0.6 volume=1.680 peak=2714 ppm1=1.711 ppm2=1.352
assign ( resid 112 and name HG1*) ( resid 29 and name HG1) 3.7 0.7 0.7 volume=0.679 peak=2444 ppm1=0.665 ppm2=5.485
assign ( resid 116 and name HB2) ( resid 116 and name HA) 4.2 0.8 0.8 volume=0.313 peak=2402 ppm1=1.765 ppm2=3.554
assign ( resid 25 and name HA) ( resid 26 and name HA) 3.7 0.7 0.7 volume=0.705 peak=1776 ppm1=3.250 ppm2=4.453
assign ( resid 115 and name HB3) ( resid 116 and name H) 3.6 0.7 0.7 volume=0.897 peak=3067 ppm1=2.012 ppm2=8.644
assign ( resid 40 and name HA) ( resid 40 and name HG2*) 3.9 0.8 0.8 volume=0.533 peak=2888 ppm1=4.381 ppm2=1.124
assign ( resid 27 and name HB3) ( resid 27 and name HA) 3.4 0.7 0.7 volume=1.233 peak=1215 ppm1=1.773 ppm2=4.493
assign ( resid 26 and name HB*) ( resid 27 and name H) 3.0 0.6 0.6 volume=2.321 peak=3029 ppm1=1.259 ppm2=7.636
assign ( resid 122 and name HG2) ( resid 122 and name HD3) 3.4 0.7 0.7 volume=1.233 peak=2729 ppm1=1.387 ppm2=1.808
assign ( resid 32 and name HB) ( resid 32 and name HA) 4.5 0.9 0.9 volume=0.213 peak=1659 ppm1=1.896 ppm2=4.809
assign ( resid 106 and name HG2*) ( resid 108 and name H) 4.3 0.9 0.9 volume=0.295 peak=3013 ppm1=0.633 ppm2=8.161
assign ( resid 26 and name HB*) ( resid 27 and name HD2*) 3.2 0.6 0.6 volume=1.699 peak=2489 ppm1=1.259 ppm2=0.807
assign ( resid 90 and name HG3) ( resid 90 and name HD3) 3.6 0.7 0.7 volume=0.779 peak=636 ppm1=2.074 ppm2=4.005
assign ( resid 45 and name HB2) ( resid 45 and name HD*) 4.4 0.9 0.9 volume=0.254 peak=130 ppm1=4.113 ppm2=7.158
assign ( resid 63 and name HA2) ( resid 64 and name H) 3.7 0.7 0.7 volume=0.757 peak=1037 ppm1=3.602 ppm2=8.123
assign ( resid 98 and name HG3) ( resid 98 and name H) 4.8 1.0 1.0 volume=0.145 peak=773 ppm1=-0.332 ppm2=6.526
assign ( resid 122 and name HB2) ( resid 123 and name H) 4.6 0.9 0.9 volume=0.186 peak=2379 ppm1=1.687 ppm2=9.510
assign ( resid 57 and name HG3) ( resid 57 and name H) 4.2 0.8 0.8 volume=0.316 peak=2691 ppm1=1.157 ppm2=7.988
assign ( resid 14 and name HB2) ( resid 14 and name H) 4.0 0.8 0.8 volume=0.453 peak=2042 ppm1=2.855 ppm2=7.708
assign ( resid 56 and name HA) ( resid 57 and name HB2) 4.3 0.9 0.9 volume=0.294 peak=2721 ppm1=4.044 ppm2=1.600
assign ( resid 57 and name HD2) ( resid 57 and name HG3) 3.0 0.6 0.6 volume=2.395 peak=3034 ppm1=1.497 ppm2=1.161
assign ( resid 85 and name HB3) ( resid 85 and name HA) 4.6 0.9 0.9 volume=0.205 peak=1624 ppm1=2.355 ppm2=5.156
assign ( resid 115 and name HA) ( resid 115 and name HB3) 2.9 0.6 0.6 volume=3.230 peak=382 ppm1=3.954 ppm2=2.016
assign ( resid 51 and name HB2) ( resid 51 and name HB3) 3.1 0.6 0.6 volume=1.982 peak=2411 ppm1=2.243 ppm2=2.053
assign ( resid 61 and name HB3) ( resid 62 and name H) 4.0 0.8 0.8 volume=0.426 peak=2255 ppm1=2.733 ppm2=7.735
assign ( resid 24 and name HE2) ( resid 24 and name HA) 3.0 0.6 0.6 volume=2.414 peak=76 ppm1=3.021 ppm2=4.755
assign ( resid 100 and name HD3) ( resid 91 and name HB3) 4.7 0.9 0.9 volume=0.161 peak=1967 ppm1=3.103 ppm2=1.953
assign ( resid 107 and name HA) ( resid 108 and name HB) 4.3 0.9 0.9 volume=0.279 peak=1301 ppm1=3.986 ppm2=3.407
assign ( resid 98 and name HA) ( resid 99 and name H) 4.7 0.9 0.9 volume=0.161 peak=1409 ppm1=3.096 ppm2=7.391
assign ( resid 116 and name HB2) ( resid 116 and name HD1*) 3.8 0.8 0.8 volume=0.647 peak=2423 ppm1=1.765 ppm2=0.607
assign ( resid 70 and name HG2*) ( resid 56 and name HG) 3.5 0.7 0.7 volume=0.992 peak=2675 ppm1=0.619 ppm2=1.183
assign ( resid 12 and name HB2) ( resid 12 and name HD1*) 3.6 0.7 0.7 volume=0.828 peak=1730 ppm1=1.797 ppm2=0.547
assign ( resid 110 and name HD2) ( resid 110 and name HG2) 4.2 0.8 0.8 volume=0.354 peak=1523 ppm1=3.820 ppm2=1.816
assign ( resid 39 and name HB3) ( resid 39 and name HD2) 3.9 0.8 0.8 volume=0.493 peak=3009 ppm1=1.805 ppm2=3.412
assign ( resid 65 and name HG3) ( resid 64 and name HA) 3.5 0.7 0.7 volume=0.943 peak=280 ppm1=1.999 ppm2=4.570
assign ( resid 15 and name HG2) ( resid 16 and name H) 4.8 1.0 1.0 volume=0.152 peak=581 ppm1=2.089 ppm2=8.068
assign ( resid 115 and name HA) ( resid 114 and name HB3) 4.3 0.9 0.9 volume=0.290 peak=611 ppm1=3.954 ppm2=1.768
assign ( resid 106 and name HD1*) ( resid 106 and name HA) 3.5 0.7 0.7 volume=0.950 peak=2880 ppm1=0.598 ppm2=3.906
assign ( resid 109 and name HG2) ( resid 108 and name HA) 4.1 0.8 0.8 volume=0.414 peak=2723 ppm1=1.382 ppm2=4.419
assign ( resid 9 and name HG3) ( resid 9 and name H) 4.5 0.9 0.9 volume=0.215 peak=1229 ppm1=2.542 ppm2=9.759
assign ( resid 100 and name HB3) ( resid 100 and name HE) 4.4 0.9 0.9 volume=0.262 peak=2758 ppm1=1.481 ppm2=7.196
assign ( resid 101 and name HA2) ( resid 102 and name HB3) 3.7 0.7 0.7 volume=0.722 peak=3177 ppm1=4.223 ppm2=3.785
assign ( resid 74 and name HE*) ( resid 83 and name H) 3.9 0.8 0.8 volume=0.523 peak=3031 ppm1=1.633 ppm2=8.225
assign ( resid 19 and name HA) ( resid 20 and name H) 3.9 0.8 0.8 volume=0.492 peak=565 ppm1=5.370 ppm2=8.956
assign ( resid 8 and name HG2*) ( resid 126 and name HA) 3.7 0.7 0.7 volume=0.661 peak=2774 ppm1=0.868 ppm2=4.882
assign ( resid 51 and name HB2) ( resid 50 and name HA) 4.5 0.9 0.9 volume=0.231 peak=1664 ppm1=2.242 ppm2=4.772
assign ( resid 125 and name HB3) ( resid 124 and name HA) 4.2 0.8 0.8 volume=0.345 peak=1111 ppm1=1.905 ppm2=4.448
assign ( resid 116 and name HG) ( resid 116 and name HB3) 3.8 0.8 0.8 volume=0.598 peak=1526 ppm1=1.137 ppm2=1.216
assign ( resid 64 and name HB) ( resid 64 and name HA) 3.4 0.7 0.7 volume=1.227 peak=434 ppm1=4.330 ppm2=4.570
assign ( resid 10 and name HB) ( resid 10 and name H) 4.6 0.9 0.9 volume=0.205 peak=33 ppm1=2.145 ppm2=9.800
assign ( resid 36 and name HD2) ( resid 36 and name HB2) 4.8 1.0 1.0 volume=0.153 peak=1439 ppm1=4.017 ppm2=2.518
assign ( resid 57 and name HD2) ( resid 57 and name HE2) 2.9 0.6 0.6 volume=3.413 peak=291 ppm1=1.497 ppm2=2.768
assign ( resid 122 and name HB2) ( resid 123 and name HA3) 5.3 1.1 1.1 volume=0.079 peak=317 ppm1=1.687 ppm2=3.323
assign ( resid 12 and name HB2) ( resid 12 and name HA) 4.1 0.8 0.8 volume=0.373 peak=3081 ppm1=1.797 ppm2=3.687
assign ( resid 122 and name HB2) ( resid 121 and name HA) 4.1 0.8 0.8 volume=0.370 peak=1302 ppm1=1.687 ppm2=4.430
assign ( resid 124 and name HA) ( resid 125 and name HD3) 4.3 0.9 0.9 volume=0.310 peak=970 ppm1=4.444 ppm2=4.302
assign ( resid 23 and name HA2) ( resid 24 and name HA) 4.2 0.8 0.8 volume=0.336 peak=2118 ppm1=3.759 ppm2=4.755
assign ( resid 14 and name HB2) ( resid 15 and name H) 4.3 0.9 0.9 volume=0.298 peak=551 ppm1=2.855 ppm2=8.041
assign ( resid 41 and name HG2) ( resid 40 and name HA) 4.7 0.9 0.9 volume=0.173 peak=2899 ppm1=1.722 ppm2=4.385
assign ( resid 109 and name HD3) ( resid 109 and name HB3) 4.5 0.9 0.9 volume=0.215 peak=570 ppm1=2.938 ppm2=1.335
assign ( resid 109 and name HD3) ( resid 108 and name HA) 4.5 0.9 0.9 volume=0.229 peak=149 ppm1=2.943 ppm2=4.426
assign ( resid 111 and name HB2) ( resid 110 and name HA) 4.1 0.8 0.8 volume=0.392 peak=23 ppm1=3.889 ppm2=3.998
assign ( resid 114 and name HB2) ( resid 114 and name HD2) 3.0 0.6 0.6 volume=2.458 peak=814 ppm1=1.798 ppm2=1.697
assign ( resid 50 and name HB2) ( resid 50 and name H) 4.9 1.0 1.0 volume=0.131 peak=1881 ppm1=1.605 ppm2=7.687
assign ( resid 29 and name HG2*) ( resid 108 and name HB) 4.2 0.8 0.8 volume=0.312 peak=2964 ppm1=0.549 ppm2=3.399
assign ( resid 73 and name HA) ( resid 74 and name H) 4.0 0.8 0.8 volume=0.458 peak=323 ppm1=5.708 ppm2=8.017
assign ( resid 24 and name HG2) ( resid 24 and name HD3) 2.5 0.5 0.5 volume=7.719 peak=2662 ppm1=1.397 ppm2=1.660
assign ( resid 98 and name HA) ( resid 97 and name HA) 4.6 0.9 0.9 volume=0.191 peak=1896 ppm1=3.096 ppm2=3.744
assign ( resid 41 and name HB2) ( resid 41 and name HG3) 2.9 0.6 0.6 volume=2.997 peak=1650 ppm1=1.845 ppm2=1.974
assign ( resid 98 and name HE3) ( resid 98 and name HG3) 3.9 0.8 0.8 volume=0.503 peak=2524 ppm1=2.744 ppm2=-0.328
assign ( resid 110 and name HB3) ( resid 109 and name HA) 5.1 1.0 1.0 volume=0.108 peak=2039 ppm1=2.118 ppm2=4.419
assign ( resid 97 and name HB2) ( resid 97 and name HZ2) 4.8 1.0 1.0 volume=0.153 peak=2191 ppm1=3.209 ppm2=7.473
assign ( resid 6 and name HG2*) ( resid 7 and name HD*) 4.4 0.9 0.9 volume=0.250 peak=2818 ppm1=1.580 ppm2=6.644
assign ( resid 96 and name HB2) ( resid 96 and name HD1*) 3.7 0.7 0.7 volume=0.685 peak=517 ppm1=1.119 ppm2=0.623
assign ( resid 116 and name HA) ( resid 117 and name H) 5.2 1.0 1.0 volume=0.090 peak=911 ppm1=3.550 ppm2=8.826
assign ( resid 122 and name HA) ( resid 122 and name HG3) 4.1 0.8 0.8 volume=0.380 peak=2335 ppm1=3.684 ppm2=1.049
assign ( resid 21 and name HB3) ( resid 21 and name HD3) 3.5 0.7 0.7 volume=0.946 peak=252 ppm1=1.520 ppm2=1.606
assign ( resid 35 and name HB3) ( resid 35 and name HD3) 4.4 0.9 0.9 volume=0.262 peak=1813 ppm1=1.500 ppm2=1.396
assign ( resid 125 and name HD3) ( resid 124 and name HG2*) 4.0 0.8 0.8 volume=0.467 peak=147 ppm1=4.293 ppm2=1.568
assign ( resid 59 and name HG2*) ( resid 63 and name HA3) 2.7 0.5 0.5 volume=4.363 peak=1532 ppm1=1.123 ppm2=4.355
assign ( resid 64 and name HB) ( resid 64 and name H) 4.1 0.8 0.8 volume=0.376 peak=1213 ppm1=4.330 ppm2=8.123
assign ( resid 19 and name HB2) ( resid 19 and name HD*) 4.4 0.9 0.9 volume=0.245 peak=318 ppm1=2.700 ppm2=6.862
assign ( resid 90 and name HG3) ( resid 89 and name HA) 4.2 0.8 0.8 volume=0.325 peak=365 ppm1=2.074 ppm2=5.180
assign ( resid 120 and name HG1*) ( resid 116 and name HB3) 3.5 0.7 0.7 volume=0.994 peak=1593 ppm1=0.200 ppm2=1.219
assign ( resid 124 and name HB) ( resid 123 and name HA3) 4.8 1.0 1.0 volume=0.157 peak=3085 ppm1=3.809 ppm2=3.323
assign ( resid 25 and name HG1*) ( resid 19 and name HB3) 4.1 0.8 0.8 volume=0.399 peak=485 ppm1=0.682 ppm2=2.558
assign ( resid 31 and name HG13) ( resid 31 and name HD1*) 3.2 0.6 0.6 volume=1.782 peak=171 ppm1=0.478 ppm2=0.439
assign ( resid 70 and name HG2*) ( resid 72 and name H) 3.6 0.7 0.7 volume=0.838 peak=2718 ppm1=0.621 ppm2=10.281
assign ( resid 6 and name HB) ( resid 5 and name HA) 4.7 0.9 0.9 volume=0.160 peak=2961 ppm1=4.189 ppm2=4.670
assign ( resid 112 and name HG2*) ( resid 112 and name H) 2.8 0.6 0.6 volume=3.639 peak=1676 ppm1=0.878 ppm2=6.724
assign ( resid 51 and name HB2) ( resid 52 and name HA) 3.7 0.7 0.7 volume=0.758 peak=535 ppm1=2.241 ppm2=4.972
assign ( resid 85 and name HA) ( resid 85 and name H) 5.0 1.0 1.0 volume=0.123 peak=2078 ppm1=5.152 ppm2=10.295
assign ( resid 35 and name HB3) ( resid 35 and name H) 5.0 1.0 1.0 volume=0.125 peak=359 ppm1=1.500 ppm2=8.308
assign ( resid 109 and name HB2) ( resid 110 and name HD2) 4.3 0.9 0.9 volume=0.279 peak=1882 ppm1=1.994 ppm2=3.824
assign ( resid 96 and name HB3) ( resid 96 and name HG) 4.2 0.8 0.8 volume=0.341 peak=2336 ppm1=2.097 ppm2=1.723
assign ( resid 18 and name HB3) ( resid 18 and name HZ2) 5.3 1.1 1.1 volume=0.087 peak=1716 ppm1=3.281 ppm2=7.474
assign ( resid 33 and name HB2) ( resid 33 and name H) 4.6 0.9 0.9 volume=0.196 peak=3155 ppm1=3.048 ppm2=8.604
assign ( resid 8 and name HG2*) ( resid 8 and name HD1*) 2.5 0.5 0.5 volume=8.085 peak=769 ppm1=0.870 ppm2=0.630
assign ( resid 90 and name HG3) ( resid 90 and name HD2) 3.6 0.7 0.7 volume=0.800 peak=336 ppm1=2.074 ppm2=4.093
assign ( resid 84 and name HA) ( resid 113 and name HE*) 3.7 0.7 0.7 volume=0.694 peak=3004 ppm1=5.591 ppm2=2.075
assign ( resid 50 and name HD3) ( resid 50 and name H) 4.5 0.9 0.9 volume=0.226 peak=1639 ppm1=1.834 ppm2=7.687
assign ( resid 12 and name HG) ( resid 13 and name H) 4.8 1.0 1.0 volume=0.142 peak=442 ppm1=1.447 ppm2=9.102
assign ( resid 56 and name HB3) ( resid 56 and name HA) 4.5 0.9 0.9 volume=0.223 peak=225 ppm1=1.565 ppm2=4.048
assign ( resid 122 and name HE3) ( resid 122 and name HG3) 3.8 0.8 0.8 volume=0.629 peak=3062 ppm1=3.092 ppm2=1.057
assign ( resid 63 and name HA2) ( resid 59 and name HG2*) 3.7 0.7 0.7 volume=0.770 peak=2180 ppm1=3.603 ppm2=1.126
assign ( resid 65 and name HG3) ( resid 65 and name HB2) 3.1 0.6 0.6 volume=2.158 peak=478 ppm1=1.999 ppm2=2.236
assign ( resid 27 and name HD2*) ( resid 27 and name HB3) 2.6 0.5 0.5 volume=5.867 peak=940 ppm1=0.810 ppm2=1.777
assign ( resid 120 and name HG1*) ( resid 116 and name HD2*) 2.7 0.5 0.5 volume=4.630 peak=205 ppm1=0.199 ppm2=0.374
assign ( resid 122 and name HG2) ( resid 122 and name HE2) 4.0 0.8 0.8 volume=0.473 peak=542 ppm1=1.387 ppm2=3.012
assign ( resid 90 and name HD3) ( resid 90 and name HB3) 4.0 0.8 0.8 volume=0.467 peak=263 ppm1=4.001 ppm2=2.000
assign ( resid 100 and name HD2) ( resid 100 and name H) 4.7 0.9 0.9 volume=0.173 peak=672 ppm1=3.220 ppm2=8.902
assign ( resid 116 and name HA) ( resid 116 and name HD2*) 3.4 0.7 0.7 volume=1.093 peak=414 ppm1=3.550 ppm2=0.378
assign ( resid 95 and name HB2) ( resid 95 and name HA) 3.7 0.7 0.7 volume=0.756 peak=2292 ppm1=2.714 ppm2=5.159
assign ( resid 3 and name HA) ( resid 2 and name HA) 4.6 0.9 0.9 volume=0.183 peak=3066 ppm1=4.350 ppm2=4.622
assign ( resid 121 and name HB2) ( resid 121 and name HA) 3.5 0.7 0.7 volume=0.983 peak=188 ppm1=1.726 ppm2=4.431
assign ( resid 120 and name HG2*) ( resid 120 and name HA) 2.9 0.6 0.6 volume=2.939 peak=2633 ppm1=0.579 ppm2=3.699
assign ( resid 70 and name HB) ( resid 70 and name H) 4.7 0.9 0.9 volume=0.162 peak=3001 ppm1=2.810 ppm2=8.646
assign ( resid 19 and name HB3) ( resid 19 and name HA) 4.5 0.9 0.9 volume=0.228 peak=1359 ppm1=2.563 ppm2=5.373
assign ( resid 122 and name HE3) ( resid 122 and name HD3) 3.2 0.6 0.6 volume=1.689 peak=2175 ppm1=3.094 ppm2=1.808
assign ( resid 99 and name HG2*) ( resid 99 and name HB) 2.5 0.5 0.5 volume=7.475 peak=1058 ppm1=1.079 ppm2=4.150
assign ( resid 116 and name HD2*) ( resid 116 and name HB3) 3.1 0.6 0.6 volume=2.050 peak=1484 ppm1=0.373 ppm2=1.211
assign ( resid 112 and name HA) ( resid 113 and name H) 4.6 0.9 0.9 volume=0.183 peak=879 ppm1=3.840 ppm2=8.563
assign ( resid 4 and name HB2) ( resid 4 and name H) 3.7 0.7 0.7 volume=0.719 peak=1582 ppm1=2.053 ppm2=8.359
assign ( resid 23 and name HA3) ( resid 24 and name HB3) 4.6 0.9 0.9 volume=0.182 peak=1099 ppm1=4.204 ppm2=1.692
assign ( resid 113 and name HE*) ( resid 116 and name H) 4.0 0.8 0.8 volume=0.424 peak=2979 ppm1=2.073 ppm2=8.636
assign ( resid 106 and name HB) ( resid 106 and name HD1*) 3.5 0.7 0.7 volume=1.069 peak=2577 ppm1=1.679 ppm2=0.602
assign ( resid 120 and name HB) ( resid 120 and name HG1*) 3.2 0.6 0.6 volume=1.628 peak=2666 ppm1=1.457 ppm2=0.199
assign ( resid 110 and name HA) ( resid 110 and name HG3) 3.7 0.7 0.7 volume=0.716 peak=1034 ppm1=3.994 ppm2=2.363
assign ( resid 22 and name HB3) ( resid 22 and name HA) 3.3 0.7 0.7 volume=1.423 peak=1263 ppm1=2.890 ppm2=4.173
assign ( resid 69 and name HG3) ( resid 68 and name HA) 3.5 0.7 0.7 volume=0.967 peak=1193 ppm1=1.902 ppm2=4.872
assign ( resid 110 and name HG2) ( resid 110 and name HD3) 4.3 0.9 0.9 volume=0.276 peak=1087 ppm1=1.812 ppm2=3.918
assign ( resid 100 and name HB2) ( resid 100 and name HG2) 3.2 0.6 0.6 volume=1.773 peak=2127 ppm1=2.282 ppm2=1.655
assign ( resid 61 and name HB2) ( resid 62 and name HA) 4.5 0.9 0.9 volume=0.224 peak=2037 ppm1=2.704 ppm2=4.532
assign ( resid 96 and name HB2) ( resid 96 and name HD2*) 3.9 0.8 0.8 volume=0.541 peak=215 ppm1=1.119 ppm2=0.726
assign ( resid 113 and name HG3) ( resid 113 and name HB2) 4.7 0.9 0.9 volume=0.170 peak=1223 ppm1=3.537 ppm2=2.172
assign ( resid 35 and name HB2) ( resid 35 and name HG3) 4.7 0.9 0.9 volume=0.176 peak=1390 ppm1=2.125 ppm2=1.181
assign ( resid 8 and name HG13) ( resid 76 and name HB) 3.3 0.7 0.7 volume=1.357 peak=1964 ppm1=1.922 ppm2=2.024
assign ( resid 106 and name HG12) ( resid 106 and name HG2*) 3.3 0.7 0.7 volume=1.521 peak=1016 ppm1=0.818 ppm2=0.634
assign ( resid 23 and name HA2) ( resid 24 and name HB2) 5.4 1.1 1.1 volume=0.077 peak=582 ppm1=3.759 ppm2=1.767
assign ( resid 17 and name HA) ( resid 17 and name HB3) 4.3 0.9 0.9 volume=0.299 peak=738 ppm1=5.627 ppm2=1.648
assign ( resid 114 and name HD2) ( resid 114 and name H) 4.3 0.9 0.9 volume=0.287 peak=1699 ppm1=1.693 ppm2=7.497
assign ( resid 44 and name HB) ( resid 43 and name HA2) 4.2 0.8 0.8 volume=0.346 peak=783 ppm1=1.788 ppm2=3.652
assign ( resid 51 and name HB3) ( resid 73 and name H) 4.3 0.9 0.9 volume=0.274 peak=2196 ppm1=2.048 ppm2=9.042
assign ( resid 50 and name HG2) ( resid 50 and name HG3) 4.0 0.8 0.8 volume=0.478 peak=1445 ppm1=0.733 ppm2=1.077
assign ( resid 56 and name HG) ( resid 56 and name H) 4.6 0.9 0.9 volume=0.188 peak=2574 ppm1=1.185 ppm2=8.264
assign ( resid 60 and name HA) ( resid 59 and name HA) 4.7 0.9 0.9 volume=0.180 peak=3033 ppm1=4.950 ppm2=4.771
assign ( resid 70 and name HG2*) ( resid 70 and name H) 3.3 0.7 0.7 volume=1.522 peak=2480 ppm1=0.621 ppm2=8.646
assign ( resid 121 and name HB3) ( resid 120 and name HA) 4.3 0.9 0.9 volume=0.310 peak=601 ppm1=2.068 ppm2=3.699
assign ( resid 31 and name HA) ( resid 31 and name HB) 4.6 0.9 0.9 volume=0.187 peak=1710 ppm1=5.062 ppm2=1.858
assign ( resid 108 and name HB) ( resid 107 and name HA) 4.5 0.9 0.9 volume=0.212 peak=2028 ppm1=3.403 ppm2=3.990
assign ( resid 75 and name HD2) ( resid 74 and name HA) 4.4 0.9 0.9 volume=0.250 peak=2058 ppm1=3.366 ppm2=4.993
assign ( resid 114 and name HD3) ( resid 114 and name HA) 3.9 0.8 0.8 volume=0.485 peak=2681 ppm1=1.711 ppm2=2.842
assign ( resid 127 and name HG) ( resid 9 and name HA) 4.4 0.9 0.9 volume=0.260 peak=511 ppm1=1.731 ppm2=5.767
assign ( resid 41 and name HD2) ( resid 40 and name HA) 4.1 0.8 0.8 volume=0.368 peak=1402 ppm1=3.433 ppm2=4.388
assign ( resid 6 and name HG2*) ( resid 124 and name HB) 4.5 0.9 0.9 volume=0.235 peak=2526 ppm1=1.583 ppm2=3.800
assign ( resid 8 and name HG2*) ( resid 8 and name H) 3.7 0.7 0.7 volume=0.661 peak=295 ppm1=0.870 ppm2=9.215
assign ( resid 76 and name HB) ( resid 76 and name HG2*) 4.0 0.8 0.8 volume=0.438 peak=454 ppm1=2.020 ppm2=0.660
assign ( resid 98 and name HG2) ( resid 98 and name HG3) 4.1 0.8 0.8 volume=0.365 peak=512 ppm1=-0.184 ppm2=-0.331
assign ( resid 120 and name HG1*) ( resid 117 and name H) 4.5 0.9 0.9 volume=0.231 peak=213 ppm1=0.200 ppm2=8.821
assign ( resid 36 and name HB2) ( resid 37 and name H) 4.8 1.0 1.0 volume=0.157 peak=1542 ppm1=2.514 ppm2=7.290
assign ( resid 96 and name HG) ( resid 96 and name HD2*) 3.2 0.6 0.6 volume=1.862 peak=1421 ppm1=1.723 ppm2=0.736
assign ( resid 52 and name HG3) ( resid 53 and name H) 4.4 0.9 0.9 volume=0.254 peak=621 ppm1=2.379 ppm2=8.339
assign ( resid 15 and name HA) ( resid 15 and name HB3) 4.6 0.9 0.9 volume=0.188 peak=2002 ppm1=3.372 ppm2=2.530
assign ( resid 16 and name HB3) ( resid 16 and name HA) 5.0 1.0 1.0 volume=0.124 peak=832 ppm1=2.486 ppm2=4.971
assign ( resid 60 and name HB2) ( resid 60 and name H) 4.0 0.8 0.8 volume=0.442 peak=2446 ppm1=3.013 ppm2=9.490
assign ( resid 13 and name HB2) ( resid 13 and name H) 3.3 0.7 0.7 volume=1.307 peak=1952 ppm1=2.198 ppm2=9.098
assign ( resid 65 and name HB2) ( resid 66 and name HA) 3.5 0.7 0.7 volume=1.016 peak=3114 ppm1=2.232 ppm2=4.898
assign ( resid 35 and name HB3) ( resid 36 and name HD3) 4.3 0.9 0.9 volume=0.292 peak=603 ppm1=1.501 ppm2=3.731
assign ( resid 95 and name HA) ( resid 97 and name HD1) 4.1 0.8 0.8 volume=0.378 peak=3156 ppm1=5.162 ppm2=7.464
assign ( resid 57 and name HG3) ( resid 57 and name HA) 3.9 0.8 0.8 volume=0.532 peak=1477 ppm1=1.157 ppm2=4.646
assign ( resid 116 and name HA) ( resid 115 and name HA) 5.7 1.1 1.1 volume=0.055 peak=118 ppm1=3.550 ppm2=3.958
assign ( resid 122 and name HB3) ( resid 123 and name H) 4.4 0.9 0.9 volume=0.270 peak=2819 ppm1=1.674 ppm2=9.510
assign ( resid 69 and name HB3) ( resid 68 and name HA) 3.5 0.7 0.7 volume=0.933 peak=2163 ppm1=1.900 ppm2=4.872
assign ( resid 6 and name HB) ( resid 6 and name HA) 4.2 0.8 0.8 volume=0.353 peak=732 ppm1=4.190 ppm2=5.216
assign ( resid 58 and name HA3) ( resid 59 and name HA) 4.0 0.8 0.8 volume=0.477 peak=2993 ppm1=3.787 ppm2=4.771
assign ( resid 76 and name HD1*) ( resid 126 and name HA) 4.4 0.9 0.9 volume=0.271 peak=2730 ppm1=0.176 ppm2=4.857
assign ( resid 35 and name HD2) ( resid 35 and name HA) 4.7 0.9 0.9 volume=0.165 peak=1159 ppm1=1.598 ppm2=5.120
assign ( resid 24 and name HD2) ( resid 24 and name HA) 3.5 0.7 0.7 volume=0.922 peak=1154 ppm1=1.700 ppm2=4.755
assign ( resid 15 and name HG3) ( resid 16 and name H) 4.9 1.0 1.0 volume=0.134 peak=43 ppm1=2.908 ppm2=8.068
assign ( resid 4 and name HA) ( resid 3 and name H) 3.1 0.6 0.6 volume=2.271 peak=1032 ppm1=4.303 ppm2=8.408
assign ( resid 33 and name HB2) ( resid 33 and name HG) 4.6 0.9 0.9 volume=0.193 peak=563 ppm1=3.050 ppm2=5.908
assign ( resid 24 and name HE3) ( resid 24 and name HG3) 2.6 0.5 0.5 volume=5.926 peak=2865 ppm1=3.013 ppm2=1.395
assign ( resid 44 and name HG1*) ( resid 44 and name H) 3.5 0.7 0.7 volume=0.936 peak=1719 ppm1=0.769 ppm2=7.478
assign ( resid 86 and name HA) ( resid 87 and name H) 4.4 0.9 0.9 volume=0.269 peak=3047 ppm1=3.614 ppm2=9.680
assign ( resid 26 and name HB*) ( resid 19 and name HD*) 3.0 0.6 0.6 volume=2.399 peak=1286 ppm1=1.259 ppm2=6.860
assign ( resid 55 and name HG2*) ( resid 56 and name HD1*) 4.0 0.8 0.8 volume=0.454 peak=53 ppm1=0.815 ppm2=-0.077
assign ( resid 121 and name HA) ( resid 121 and name H) 4.3 0.9 0.9 volume=0.284 peak=1981 ppm1=4.426 ppm2=8.087
assign ( resid 51 and name HG3) ( resid 51 and name HA) 3.3 0.7 0.7 volume=1.434 peak=1384 ppm1=2.267 ppm2=4.981
assign ( resid 64 and name HA) ( resid 64 and name HG2*) 3.7 0.7 0.7 volume=0.756 peak=1759 ppm1=4.567 ppm2=1.246
assign ( resid 122 and name HB3) ( resid 122 and name HG2) 3.7 0.7 0.7 volume=0.738 peak=2756 ppm1=1.674 ppm2=1.391
assign ( resid 27 and name HB3) ( resid 27 and name HD1*) 3.5 0.7 0.7 volume=1.044 peak=1917 ppm1=1.773 ppm2=0.646
assign ( resid 4 and name HB3) ( resid 4 and name HA) 3.3 0.7 0.7 volume=1.332 peak=780 ppm1=1.857 ppm2=4.305
assign ( resid 106 and name HB) ( resid 107 and name HA) 5.5 1.1 1.1 volume=0.069 peak=675 ppm1=1.679 ppm2=3.990
assign ( resid 121 and name HG3) ( resid 122 and name H) 4.0 0.8 0.8 volume=0.453 peak=2529 ppm1=2.389 ppm2=9.206
assign ( resid 98 and name HB2) ( resid 98 and name H) 4.1 0.8 0.8 volume=0.362 peak=113 ppm1=1.429 ppm2=6.526
assign ( resid 56 and name HD1*) ( resid 56 and name HG) 3.1 0.6 0.6 volume=2.188 peak=853 ppm1=-0.088 ppm2=1.189
assign ( resid 52 and name HG3) ( resid 52 and name H) 3.8 0.8 0.8 volume=0.569 peak=3187 ppm1=2.379 ppm2=8.688
assign ( resid 109 and name HA) ( resid 109 and name HD3) 5.0 1.0 1.0 volume=0.121 peak=1947 ppm1=4.415 ppm2=2.942
assign ( resid 70 and name HG2*) ( resid 84 and name HB2) 3.8 0.8 0.8 volume=0.627 peak=1735 ppm1=0.620 ppm2=4.007
assign ( resid 35 and name HD3) ( resid 35 and name HB2) 4.2 0.8 0.8 volume=0.318 peak=2581 ppm1=1.393 ppm2=2.133
assign ( resid 108 and name HB) ( resid 108 and name HG2*) 3.5 0.7 0.7 volume=0.994 peak=1171 ppm1=3.404 ppm2=0.766
assign ( resid 127 and name HB2) ( resid 127 and name HG) 3.6 0.7 0.7 volume=0.801 peak=3147 ppm1=1.878 ppm2=1.736
assign ( resid 57 and name HD2) ( resid 57 and name HB3) 2.8 0.6 0.6 volume=3.712 peak=2169 ppm1=1.497 ppm2=1.410
assign ( resid 56 and name HB2) ( resid 56 and name HD1*) 4.0 0.8 0.8 volume=0.481 peak=922 ppm1=1.161 ppm2=-0.093
assign ( resid 25 and name HG2*) ( resid 25 and name HG1*) 2.3 0.5 0.5 volume=11.416 peak=1329 ppm1=0.806 ppm2=0.676
assign ( resid 83 and name HG13) ( resid 83 and name H) 5.1 1.0 1.0 volume=0.100 peak=2409 ppm1=1.492 ppm2=8.218
assign ( resid 12 and name HD1*) ( resid 12 and name HB2) 3.1 0.6 0.6 volume=2.010 peak=2072 ppm1=0.543 ppm2=1.801
assign ( resid 9 and name HB2) ( resid 9 and name HG3) 3.4 0.7 0.7 volume=1.137 peak=2122 ppm1=2.438 ppm2=2.546
assign ( resid 88 and name HB3) ( resid 88 and name HE3) 4.4 0.9 0.9 volume=0.251 peak=3091 ppm1=3.327 ppm2=8.030
assign ( resid 54 and name HB*) ( resid 54 and name HA) 2.7 0.5 0.5 volume=5.072 peak=965 ppm1=0.942 ppm2=4.504
assign ( resid 114 and name HA) ( resid 113 and name HB2) 4.9 1.0 1.0 volume=0.141 peak=622 ppm1=2.838 ppm2=2.172
assign ( resid 65 and name HB3) ( resid 65 and name HD3) 3.8 0.8 0.8 volume=0.589 peak=157 ppm1=1.827 ppm2=3.889
assign ( resid 84 and name HA) ( resid 85 and name H) 3.9 0.8 0.8 volume=0.493 peak=1454 ppm1=5.593 ppm2=10.295
assign ( resid 57 and name HB2) ( resid 57 and name HE3) 4.4 0.9 0.9 volume=0.259 peak=2320 ppm1=1.596 ppm2=2.773
assign ( resid 116 and name HB3) ( resid 116 and name HD2*) 4.0 0.8 0.8 volume=0.467 peak=1116 ppm1=1.212 ppm2=0.378
assign ( resid 39 and name HA) ( resid 39 and name HD2) 4.2 0.8 0.8 volume=0.356 peak=183 ppm1=4.156 ppm2=3.412
assign ( resid 6 and name HG2*) ( resid 20 and name HD*) 4.7 0.9 0.9 volume=0.160 peak=990 ppm1=1.578 ppm2=6.207
assign ( resid 8 and name HG13) ( resid 8 and name HG2*) 3.8 0.8 0.8 volume=0.595 peak=2803 ppm1=1.912 ppm2=0.874
assign ( resid 86 and name HA) ( resid 84 and name HE1) 4.7 0.9 0.9 volume=0.161 peak=923 ppm1=3.614 ppm2=7.773
assign ( resid 92 and name HA) ( resid 92 and name HB3) 4.0 0.8 0.8 volume=0.442 peak=2431 ppm1=4.438 ppm2=2.564
assign ( resid 119 and name HE*) ( resid 115 and name H) 3.6 0.7 0.7 volume=0.812 peak=1942 ppm1=2.074 ppm2=6.755
assign ( resid 39 and name HD2) ( resid 40 and name H) 6.5 1.3 1.3 volume=0.025 peak=1388 ppm1=3.408 ppm2=8.624
assign ( resid 41 and name HD3) ( resid 40 and name HG2*) 3.9 0.8 0.8 volume=0.505 peak=1177 ppm1=3.685 ppm2=1.121
assign ( resid 33 and name HB2) ( resid 32 and name HA) 4.4 0.9 0.9 volume=0.266 peak=2862 ppm1=3.048 ppm2=4.809
assign ( resid 110 and name HA) ( resid 111 and name HB3) 4.6 0.9 0.9 volume=0.206 peak=1971 ppm1=3.994 ppm2=4.117
assign ( resid 56 and name HD2*) ( resid 56 and name HD1*) 2.7 0.5 0.5 volume=5.114 peak=2592 ppm1=-0.590 ppm2=-0.081
assign ( resid 74 and name HE*) ( resid 117 and name HA) 2.9 0.6 0.6 volume=2.829 peak=1354 ppm1=1.634 ppm2=3.714
assign ( resid 39 and name HB3) ( resid 40 and name H) 4.2 0.8 0.8 volume=0.346 peak=533 ppm1=1.805 ppm2=8.624
assign ( resid 109 and name HD3) ( resid 109 and name HG2) 4.5 0.9 0.9 volume=0.213 peak=217 ppm1=2.938 ppm2=1.387
assign ( resid 74 and name HE*) ( resid 74 and name HG3) 3.2 0.6 0.6 volume=1.813 peak=2360 ppm1=1.634 ppm2=2.321
assign ( resid 61 and name HA) ( resid 61 and name HB3) 2.9 0.6 0.6 volume=3.155 peak=969 ppm1=4.392 ppm2=2.737
assign ( resid 2 and name HB3) ( resid 2 and name HA) 3.2 0.6 0.6 volume=1.674 peak=3099 ppm1=3.125 ppm2=4.628
assign ( resid 65 and name HG3) ( resid 65 and name HA) 3.7 0.7 0.7 volume=0.682 peak=380 ppm1=1.999 ppm2=4.960
assign ( resid 122 and name HD2) ( resid 122 and name HG2) 3.5 0.7 0.7 volume=0.967 peak=497 ppm1=1.785 ppm2=1.391
assign ( resid 122 and name HB3) ( resid 122 and name HA) 3.8 0.8 0.8 volume=0.614 peak=1368 ppm1=1.674 ppm2=3.694
assign ( resid 22 and name HA) ( resid 21 and name H) 4.8 1.0 1.0 volume=0.144 peak=2119 ppm1=4.169 ppm2=8.453
assign ( resid 90 and name HD3) ( resid 89 and name HB2) 4.9 1.0 1.0 volume=0.138 peak=303 ppm1=4.001 ppm2=1.612
assign ( resid 27 and name HB3) ( resid 27 and name HG) 3.3 0.7 0.7 volume=1.413 peak=1934 ppm1=1.773 ppm2=1.534
assign ( resid 4 and name HB2) ( resid 4 and name HA) 3.2 0.6 0.6 volume=1.706 peak=1369 ppm1=2.054 ppm2=4.304
assign ( resid 8 and name HB) ( resid 8 and name HA) 4.6 0.9 0.9 volume=0.200 peak=125 ppm1=1.881 ppm2=5.301
assign ( resid 28 and name HG3) ( resid 28 and name HB3) 2.9 0.6 0.6 volume=2.977 peak=2984 ppm1=2.015 ppm2=1.929
assign ( resid 113 and name HA) ( resid 113 and name H) 4.1 0.8 0.8 volume=0.414 peak=231 ppm1=4.077 ppm2=8.553
assign ( resid 41 and name HA) ( resid 41 and name HG3) 3.5 0.7 0.7 volume=1.007 peak=3057 ppm1=4.241 ppm2=1.974
assign ( resid 119 and name HA) ( resid 118 and name HA3) 4.9 1.0 1.0 volume=0.129 peak=2208 ppm1=4.452 ppm2=3.938
assign ( resid 114 and name HB3) ( resid 114 and name H) 3.7 0.7 0.7 volume=0.692 peak=2943 ppm1=1.764 ppm2=7.497
assign ( resid 87 and name HB3) ( resid 86 and name HA) 4.5 0.9 0.9 volume=0.230 peak=443 ppm1=2.722 ppm2=3.618
assign ( resid 106 and name HA) ( resid 106 and name HB) 4.5 0.9 0.9 volume=0.222 peak=1003 ppm1=3.902 ppm2=1.683
assign ( resid 81 and name HG2*) ( resid 81 and name HA) 3.1 0.6 0.6 volume=2.180 peak=1838 ppm1=0.582 ppm2=3.723
assign ( resid 66 and name HA) ( resid 67 and name H) 5.1 1.0 1.0 volume=0.107 peak=654 ppm1=4.894 ppm2=8.226
assign ( resid 100 and name HB3) ( resid 89 and name HE22) 4.4 0.9 0.9 volume=0.269 peak=1939 ppm1=1.482 ppm2=7.162
assign ( resid 29 and name HA) ( resid 30 and name HA) 5.1 1.0 1.0 volume=0.102 peak=1433 ppm1=4.337 ppm2=5.351
assign ( resid 57 and name HD3) ( resid 57 and name H) 4.3 0.9 0.9 volume=0.310 peak=2846 ppm1=1.483 ppm2=7.988
assign ( resid 127 and name HA) ( resid 127 and name HD2*) 3.9 0.8 0.8 volume=0.528 peak=2165 ppm1=5.021 ppm2=0.808
assign ( resid 57 and name HB3) ( resid 57 and name HD3) 3.3 0.7 0.7 volume=1.462 peak=1501 ppm1=1.406 ppm2=1.487
assign ( resid 109 and name HA) ( resid 110 and name HB2) 5.0 1.0 1.0 volume=0.123 peak=1005 ppm1=4.415 ppm2=2.646
assign ( resid 96 and name HG) ( resid 96 and name H) 3.6 0.7 0.7 volume=0.825 peak=185 ppm1=1.721 ppm2=7.946
assign ( resid 25 and name HA) ( resid 25 and name HB) 3.9 0.8 0.8 volume=0.503 peak=1588 ppm1=3.250 ppm2=1.918
assign ( resid 87 and name HB2) ( resid 86 and name HA) 4.7 0.9 0.9 volume=0.180 peak=1101 ppm1=2.958 ppm2=3.618
assign ( resid 119 and name HB3) ( resid 119 and name HG3) 3.7 0.7 0.7 volume=0.723 peak=2573 ppm1=2.118 ppm2=2.562
assign ( resid 25 and name HB) ( resid 26 and name H) 4.2 0.8 0.8 volume=0.322 peak=1815 ppm1=1.914 ppm2=9.292
assign ( resid 114 and name HB2) ( resid 115 and name HA) 4.5 0.9 0.9 volume=0.221 peak=2706 ppm1=1.798 ppm2=3.958
assign ( resid 27 and name HB2) ( resid 27 and name H) 4.0 0.8 0.8 volume=0.418 peak=180 ppm1=1.394 ppm2=7.636
assign ( resid 56 and name HD2*) ( resid 70 and name H) 4.5 0.9 0.9 volume=0.219 peak=2551 ppm1=-0.593 ppm2=8.648
assign ( resid 98 and name HB3) ( resid 99 and name H) 4.7 0.9 0.9 volume=0.164 peak=1039 ppm1=1.398 ppm2=7.391
assign ( resid 20 and name HB2) ( resid 21 and name H) 4.5 0.9 0.9 volume=0.223 peak=3175 ppm1=1.858 ppm2=8.458
assign ( resid 60 and name HB2) ( resid 60 and name HD22) 4.5 0.9 0.9 volume=0.225 peak=39 ppm1=3.009 ppm2=6.887
assign ( resid 35 and name HB2) ( resid 35 and name HD3) 4.4 0.9 0.9 volume=0.264 peak=254 ppm1=2.125 ppm2=1.396
assign ( resid 118 and name HA2) ( resid 119 and name H) 4.1 0.8 0.8 volume=0.375 peak=3169 ppm1=3.810 ppm2=7.352
assign ( resid 114 and name HB2) ( resid 114 and name H) 3.6 0.7 0.7 volume=0.803 peak=22 ppm1=1.798 ppm2=7.497
assign ( resid 39 and name HD3) ( resid 39 and name HG2) 3.7 0.7 0.7 volume=0.693 peak=474 ppm1=3.386 ppm2=1.961
assign ( resid 116 and name HB2) ( resid 116 and name HG) 4.2 0.8 0.8 volume=0.335 peak=1233 ppm1=1.765 ppm2=1.141
assign ( resid 29 and name HA) ( resid 28 and name HB3) 5.0 1.0 1.0 volume=0.115 peak=1522 ppm1=4.336 ppm2=1.925
assign ( resid 121 and name HA) ( resid 122 and name HB2) 3.7 0.7 0.7 volume=0.776 peak=1290 ppm1=4.426 ppm2=1.691
assign ( resid 37 and name HB) ( resid 36 and name HA) 3.4 0.7 0.7 volume=1.165 peak=785 ppm1=4.423 ppm2=4.382
assign ( resid 10 and name HA) ( resid 10 and name HG2*) 4.5 0.9 0.9 volume=0.218 peak=2048 ppm1=4.527 ppm2=0.692
assign ( resid 6 and name HG2*) ( resid 21 and name HG2) 3.1 0.6 0.6 volume=1.884 peak=208 ppm1=1.582 ppm2=1.211
assign ( resid 24 and name HB2) ( resid 24 and name HE3) 4.2 0.8 0.8 volume=0.344 peak=797 ppm1=1.764 ppm2=3.014
assign ( resid 121 and name HB2) ( resid 121 and name HG2) 3.3 0.7 0.7 volume=1.492 peak=2748 ppm1=1.726 ppm2=2.243
assign ( resid 112 and name HG2*) ( resid 29 and name HB) 3.0 0.6 0.6 volume=2.764 peak=332 ppm1=0.878 ppm2=3.966
assign ( resid 22 and name HA) ( resid 23 and name HA3) 3.0 0.6 0.6 volume=2.773 peak=677 ppm1=4.169 ppm2=4.209
assign ( resid 100 and name HD2) ( resid 100 and name HG2) 3.0 0.6 0.6 volume=2.556 peak=3134 ppm1=3.221 ppm2=1.659
assign ( resid 116 and name HA) ( resid 116 and name H) 4.1 0.8 0.8 volume=0.361 peak=1872 ppm1=3.550 ppm2=8.644
assign ( resid 61 and name HB3) ( resid 61 and name HA) 3.1 0.6 0.6 volume=2.155 peak=1713 ppm1=2.733 ppm2=4.396
assign ( resid 73 and name HB3) ( resid 74 and name H) 5.0 1.0 1.0 volume=0.117 peak=2228 ppm1=2.878 ppm2=8.028
assign ( resid 127 and name HD1*) ( resid 127 and name HB2) 3.0 0.6 0.6 volume=2.327 peak=2924 ppm1=0.819 ppm2=1.883
assign ( resid 47 and name HA) ( resid 47 and name HB) 4.6 0.9 0.9 volume=0.197 peak=898 ppm1=3.972 ppm2=1.962
assign ( resid 3 and name HB2) ( resid 3 and name HE*) 2.6 0.5 0.5 volume=6.420 peak=1044 ppm1=1.930 ppm2=1.955
assign ( resid 113 and name HB3) ( resid 114 and name H) 5.5 1.1 1.1 volume=0.063 peak=1259 ppm1=1.384 ppm2=7.497
assign ( resid 92 and name HB3) ( resid 92 and name HB2) 4.5 0.9 0.9 volume=0.234 peak=373 ppm1=2.559 ppm2=2.312
assign ( resid 90 and name HB2) ( resid 90 and name HD3) 4.2 0.8 0.8 volume=0.334 peak=3050 ppm1=2.296 ppm2=4.005
assign ( resid 122 and name HD2) ( resid 122 and name HB3) 3.1 0.6 0.6 volume=1.894 peak=1724 ppm1=1.785 ppm2=1.678
assign ( resid 119 and name HG3) ( resid 119 and name HB2) 3.5 0.7 0.7 volume=0.989 peak=1514 ppm1=2.559 ppm2=1.968
assign ( resid 17 and name HA) ( resid 17 and name HG3) 4.1 0.8 0.8 volume=0.384 peak=584 ppm1=5.627 ppm2=1.775
assign ( resid 67 and name HB2) ( resid 66 and name HA) 3.9 0.8 0.8 volume=0.526 peak=198 ppm1=1.691 ppm2=4.898
assign ( resid 125 and name HG3) ( resid 125 and name HD2) 3.8 0.8 0.8 volume=0.569 peak=762 ppm1=2.354 ppm2=4.449
assign ( resid 9 and name HB2) ( resid 10 and name H) 4.5 0.9 0.9 volume=0.221 peak=905 ppm1=2.438 ppm2=9.800
assign ( resid 21 and name HA) ( resid 6 and name HA) 4.6 0.9 0.9 volume=0.198 peak=1547 ppm1=4.527 ppm2=5.205
assign ( resid 29 and name HA) ( resid 29 and name H) 4.1 0.8 0.8 volume=0.363 peak=2928 ppm1=4.337 ppm2=8.044
assign ( resid 118 and name HA3) ( resid 118 and name H) 3.6 0.7 0.7 volume=0.906 peak=1023 ppm1=3.935 ppm2=7.203
assign ( resid 29 and name HB) ( resid 29 and name HG2*) 3.5 0.7 0.7 volume=1.007 peak=680 ppm1=3.962 ppm2=0.556
assign ( resid 65 and name HD3) ( resid 65 and name HD2) 3.2 0.6 0.6 volume=1.858 peak=1115 ppm1=3.884 ppm2=3.696
assign ( resid 91 and name HA) ( resid 92 and name H) 3.8 0.8 0.8 volume=0.605 peak=1192 ppm1=4.546 ppm2=8.626
assign ( resid 83 and name HG2*) ( resid 83 and name HB) 2.7 0.5 0.5 volume=4.314 peak=839 ppm1=0.720 ppm2=1.470
assign ( resid 20 and name HB3) ( resid 20 and name HE*) 4.6 0.9 0.9 volume=0.193 peak=2593 ppm1=2.004 ppm2=6.374
assign ( resid 21 and name HG2) ( resid 21 and name HE2) 3.3 0.7 0.7 volume=1.437 peak=2967 ppm1=1.215 ppm2=3.027
assign ( resid 11 and name HB2) ( resid 11 and name HA) 4.3 0.9 0.9 volume=0.277 peak=48 ppm1=3.108 ppm2=4.283
assign ( resid 114 and name HE2) ( resid 114 and name HB2) 2.9 0.6 0.6 volume=2.967 peak=1132 ppm1=2.985 ppm2=1.802
assign ( resid 12 and name HA) ( resid 12 and name H) 4.1 0.8 0.8 volume=0.400 peak=2281 ppm1=3.683 ppm2=9.548
assign ( resid 98 and name HA) ( resid 99 and name HA) 4.9 1.0 1.0 volume=0.132 peak=2188 ppm1=3.096 ppm2=4.490
assign ( resid 70 and name HG2*) ( resid 56 and name HB3) 4.4 0.9 0.9 volume=0.256 peak=930 ppm1=0.620 ppm2=1.554
assign ( resid 41 and name HB3) ( resid 42 and name HA) 3.7 0.7 0.7 volume=0.722 peak=1935 ppm1=2.002 ppm2=4.355
assign ( resid 6 and name HG2*) ( resid 21 and name HE2) 3.6 0.7 0.7 volume=0.794 peak=1902 ppm1=1.583 ppm2=3.012
assign ( resid 35 and name HG2) ( resid 35 and name HG3) 4.0 0.8 0.8 volume=0.427 peak=548 ppm1=1.590 ppm2=1.183
assign ( resid 58 and name HA3) ( resid 57 and name HB2) 4.9 1.0 1.0 volume=0.135 peak=1509 ppm1=3.787 ppm2=1.600
assign ( resid 98 and name HD2) ( resid 99 and name HG2*) 4.0 0.8 0.8 volume=0.479 peak=667 ppm1=1.243 ppm2=1.078
assign ( resid 57 and name HE3) ( resid 57 and name HD2) 2.6 0.5 0.5 volume=6.223 peak=1423 ppm1=2.769 ppm2=1.501
assign ( resid 110 and name HG3) ( resid 109 and name HA) 4.1 0.8 0.8 volume=0.387 peak=537 ppm1=2.359 ppm2=4.419
assign ( resid 102 and name HB3) ( resid 102 and name HA) 4.3 0.9 0.9 volume=0.300 peak=2817 ppm1=3.781 ppm2=4.638
assign ( resid 71 and name HA) ( resid 71 and name HD21) 4.3 0.9 0.9 volume=0.281 peak=1723 ppm1=4.318 ppm2=7.444
assign ( resid 76 and name HG12) ( resid 76 and name HG13) 3.7 0.7 0.7 volume=0.712 peak=1027 ppm1=0.349 ppm2=0.607
assign ( resid 74 and name HG3) ( resid 74 and name HB2) 4.4 0.9 0.9 volume=0.269 peak=276 ppm1=2.312 ppm2=1.979
assign ( resid 62 and name HB2) ( resid 62 and name H) 4.0 0.8 0.8 volume=0.461 peak=1065 ppm1=2.618 ppm2=7.735
assign ( resid 70 and name HG1*) ( resid 84 and name HB3) 3.6 0.7 0.7 volume=0.788 peak=346 ppm1=1.012 ppm2=3.747
assign ( resid 36 and name HB3) ( resid 37 and name H) 4.5 0.9 0.9 volume=0.227 peak=925 ppm1=1.994 ppm2=7.290
assign ( resid 13 and name HG2) ( resid 13 and name HA) 2.9 0.6 0.6 volume=2.947 peak=2985 ppm1=2.343 ppm2=3.984
assign ( resid 57 and name HG2) ( resid 57 and name HD2) 3.2 0.6 0.6 volume=1.676 peak=1178 ppm1=1.104 ppm2=1.501
assign ( resid 18 and name HB2) ( resid 18 and name H) 4.7 0.9 0.9 volume=0.166 peak=1104 ppm1=2.666 ppm2=9.645
assign ( resid 125 and name HB2) ( resid 125 and name HD2) 3.9 0.8 0.8 volume=0.492 peak=1413 ppm1=2.306 ppm2=4.454
assign ( resid 87 and name HA) ( resid 87 and name HB3) 3.3 0.7 0.7 volume=1.468 peak=1531 ppm1=4.189 ppm2=2.722
assign ( resid 98 and name HA) ( resid 98 and name HD3) 4.2 0.8 0.8 volume=0.349 peak=1322 ppm1=3.100 ppm2=1.261
assign ( resid 26 and name HA) ( resid 26 and name H) 4.0 0.8 0.8 volume=0.460 peak=1198 ppm1=4.451 ppm2=9.285
assign ( resid 3 and name HA) ( resid 3 and name HB2) 3.2 0.6 0.6 volume=1.810 peak=2073 ppm1=4.348 ppm2=1.934
assign ( resid 20 and name HA) ( resid 20 and name HB2) 4.7 0.9 0.9 volume=0.166 peak=3092 ppm1=4.449 ppm2=1.865
assign ( resid 96 and name HD2*) ( resid 96 and name HB2) 2.9 0.6 0.6 volume=2.875 peak=2304 ppm1=0.722 ppm2=1.123
assign ( resid 52 and name HB2) ( resid 53 and name HA) 4.2 0.8 0.8 volume=0.352 peak=1709 ppm1=1.925 ppm2=4.413
assign ( resid 69 and name HD2) ( resid 69 and name HA) 3.9 0.8 0.8 volume=0.518 peak=2223 ppm1=3.780 ppm2=4.919
assign ( resid 31 and name HG13) ( resid 31 and name HA) 4.4 0.9 0.9 volume=0.249 peak=2582 ppm1=0.478 ppm2=5.066
assign ( resid 37 and name HA) ( resid 37 and name HG2*) 2.7 0.5 0.5 volume=5.089 peak=310 ppm1=4.265 ppm2=1.287
assign ( resid 6 and name HB) ( resid 6 and name HG2*) 3.2 0.6 0.6 volume=1.777 peak=158 ppm1=4.188 ppm2=1.582
assign ( resid 98 and name HB2) ( resid 97 and name HA) 5.5 1.1 1.1 volume=0.065 peak=2834 ppm1=1.429 ppm2=3.744
assign ( resid 25 and name HG2*) ( resid 18 and name HE3) 3.9 0.8 0.8 volume=0.489 peak=3054 ppm1=0.803 ppm2=7.899
assign ( resid 21 and name HB3) ( resid 21 and name HG3) 3.1 0.6 0.6 volume=2.260 peak=606 ppm1=1.518 ppm2=1.212
assign ( resid 98 and name HB3) ( resid 98 and name HA) 4.5 0.9 0.9 volume=0.220 peak=1071 ppm1=1.399 ppm2=3.098
assign ( resid 57 and name HG3) ( resid 57 and name HB2) 3.4 0.7 0.7 volume=1.274 peak=530 ppm1=1.157 ppm2=1.600
assign ( resid 36 and name HB3) ( resid 37 and name HA) 3.7 0.7 0.7 volume=0.691 peak=2217 ppm1=1.994 ppm2=4.268
assign ( resid 51 and name HB3) ( resid 52 and name HA) 3.5 0.7 0.7 volume=0.929 peak=2654 ppm1=2.049 ppm2=4.969
assign ( resid 98 and name HG2) ( resid 98 and name HE2) 4.1 0.8 0.8 volume=0.387 peak=3035 ppm1=-0.181 ppm2=2.740
assign ( resid 129 and name HB3) ( resid 129 and name H) 4.4 0.9 0.9 volume=0.256 peak=1135 ppm1=2.981 ppm2=8.823
assign ( resid 12 and name HB2) ( resid 11 and name HA) 5.1 1.0 1.0 volume=0.104 peak=2298 ppm1=1.797 ppm2=4.274
assign ( resid 44 and name HA) ( resid 44 and name HG1*) 3.6 0.7 0.7 volume=0.894 peak=1775 ppm1=4.407 ppm2=0.773
assign ( resid 75 and name HD2) ( resid 75 and name HD3) 4.4 0.9 0.9 volume=0.255 peak=2692 ppm1=3.363 ppm2=1.457
assign ( resid 28 and name HG2) ( resid 28 and name HA) 4.0 0.8 0.8 volume=0.470 peak=2952 ppm1=1.910 ppm2=4.990
assign ( resid 27 and name HD1*) ( resid 27 and name HG) 2.8 0.6 0.6 volume=3.583 peak=2877 ppm1=0.643 ppm2=1.522
assign ( resid 74 and name HE*) ( resid 83 and name HA) 4.0 0.8 0.8 volume=0.449 peak=2202 ppm1=1.633 ppm2=4.599
assign ( resid 119 and name HA) ( resid 119 and name HB2) 3.5 0.7 0.7 volume=0.920 peak=1608 ppm1=4.454 ppm2=1.967
assign ( resid 13 and name HG2) ( resid 14 and name H) 4.0 0.8 0.8 volume=0.472 peak=2915 ppm1=2.343 ppm2=7.708
assign ( resid 70 and name HG2*) ( resid 54 and name H) 3.5 0.7 0.7 volume=1.072 peak=2680 ppm1=0.620 ppm2=7.092
assign ( resid 3 and name HB3) ( resid 3 and name HG2) 3.7 0.7 0.7 volume=0.753 peak=236 ppm1=1.740 ppm2=2.335
assign ( resid 57 and name HE3) ( resid 57 and name HB2) 3.6 0.7 0.7 volume=0.882 peak=2419 ppm1=2.769 ppm2=1.600
assign ( resid 110 and name HD3) ( resid 109 and name HB2) 4.1 0.8 0.8 volume=0.376 peak=1352 ppm1=3.914 ppm2=1.998
assign ( resid 35 and name HE3) ( resid 35 and name HG2) 3.2 0.6 0.6 volume=1.801 peak=2716 ppm1=2.831 ppm2=1.596
assign ( resid 112 and name HB) ( resid 113 and name HA) 4.9 1.0 1.0 volume=0.139 peak=2195 ppm1=1.740 ppm2=4.080
assign ( resid 75 and name HD3) ( resid 75 and name HD2) 4.7 0.9 0.9 volume=0.182 peak=599 ppm1=1.453 ppm2=3.365
assign ( resid 17 and name HG2) ( resid 17 and name H) 4.6 0.9 0.9 volume=0.194 peak=2133 ppm1=2.257 ppm2=8.303
assign ( resid 19 and name HA) ( resid 8 and name H) 4.6 0.9 0.9 volume=0.197 peak=152 ppm1=5.366 ppm2=9.214
assign ( resid 98 and name HA) ( resid 98 and name HB3) 3.8 0.8 0.8 volume=0.658 peak=3064 ppm1=3.100 ppm2=1.402
assign ( resid 66 and name HB3) ( resid 66 and name HB2) 3.7 0.7 0.7 volume=0.677 peak=985 ppm1=2.873 ppm2=2.594
assign ( resid 21 and name HG3) ( resid 21 and name H) 4.3 0.9 0.9 volume=0.307 peak=1714 ppm1=1.204 ppm2=8.453
assign ( resid 124 and name HB) ( resid 124 and name H) 4.4 0.9 0.9 volume=0.264 peak=1949 ppm1=3.809 ppm2=7.399
assign ( resid 91 and name HA) ( resid 91 and name H) 4.7 0.9 0.9 volume=0.163 peak=319 ppm1=4.547 ppm2=7.021
assign ( resid 7 and name HA) ( resid 7 and name HD*) 4.6 0.9 0.9 volume=0.201 peak=2333 ppm1=5.072 ppm2=6.648
assign ( resid 25 and name HG1*) ( resid 27 and name H) 3.6 0.7 0.7 volume=0.787 peak=69 ppm1=0.681 ppm2=7.632
assign ( resid 20 and name HB2) ( resid 20 and name HA) 4.4 0.9 0.9 volume=0.251 peak=3071 ppm1=1.861 ppm2=4.453
assign ( resid 17 and name HA) ( resid 10 and name HA) 3.9 0.8 0.8 volume=0.496 peak=585 ppm1=5.628 ppm2=4.524
assign ( resid 38 and name HA) ( resid 39 and name HD3) 4.1 0.8 0.8 volume=0.377 peak=1015 ppm1=4.570 ppm2=3.390
assign ( resid 71 and name HA) ( resid 71 and name H) 3.9 0.8 0.8 volume=0.536 peak=515 ppm1=4.318 ppm2=10.485
assign ( resid 12 and name HG) ( resid 12 and name HA) 4.1 0.8 0.8 volume=0.364 peak=1840 ppm1=1.447 ppm2=3.687
assign ( resid 113 and name HB2) ( resid 114 and name H) 4.9 1.0 1.0 volume=0.137 peak=951 ppm1=2.170 ppm2=7.498
assign ( resid 65 and name HD2) ( resid 66 and name H) 5.0 1.0 1.0 volume=0.119 peak=1849 ppm1=3.694 ppm2=8.085
assign ( resid 91 and name HB2) ( resid 91 and name HG3) 3.5 0.7 0.7 volume=1.011 peak=2530 ppm1=1.647 ppm2=2.212
assign ( resid 82 and name HA3) ( resid 82 and name H) 4.8 1.0 1.0 volume=0.143 peak=2004 ppm1=4.188 ppm2=6.945
assign ( resid 35 and name HB2) ( resid 35 and name HD2) 3.9 0.8 0.8 volume=0.488 peak=1311 ppm1=2.125 ppm2=1.602
assign ( resid 113 and name HE*) ( resid 74 and name HA) 4.2 0.8 0.8 volume=0.337 peak=2430 ppm1=2.074 ppm2=4.976
assign ( resid 113 and name HB3) ( resid 113 and name HE*) 5.0 1.0 1.0 volume=0.113 peak=2931 ppm1=1.384 ppm2=2.075
assign ( resid 115 and name HA) ( resid 116 and name HB2) 4.3 0.9 0.9 volume=0.290 peak=357 ppm1=3.954 ppm2=1.769
assign ( resid 9 and name HG2) ( resid 9 and name H) 4.3 0.9 0.9 volume=0.305 peak=384 ppm1=2.664 ppm2=9.759
assign ( resid 50 and name HD2) ( resid 50 and name HE2) 3.6 0.7 0.7 volume=0.797 peak=1717 ppm1=1.791 ppm2=2.999
assign ( resid 96 and name HB2) ( resid 96 and name H) 4.4 0.9 0.9 volume=0.246 peak=1089 ppm1=1.119 ppm2=7.946
assign ( resid 62 and name HB3) ( resid 63 and name H) 4.4 0.9 0.9 volume=0.264 peak=441 ppm1=3.093 ppm2=8.156
assign ( resid 109 and name HB2) ( resid 109 and name HG2) 3.9 0.8 0.8 volume=0.503 peak=2671 ppm1=1.994 ppm2=1.387
assign ( resid 73 and name HA) ( resid 73 and name HD1) 4.9 1.0 1.0 volume=0.136 peak=1940 ppm1=5.714 ppm2=7.152
assign ( resid 127 and name HB3) ( resid 127 and name HA) 4.0 0.8 0.8 volume=0.469 peak=1507 ppm1=1.838 ppm2=5.025
assign ( resid 8 and name HD1*) ( resid 8 and name HG2*) 2.6 0.5 0.5 volume=6.237 peak=2841 ppm1=0.626 ppm2=0.874
assign ( resid 90 and name HG2) ( resid 91 and name H) 4.0 0.8 0.8 volume=0.429 peak=897 ppm1=1.954 ppm2=7.015
assign ( resid 39 and name HD3) ( resid 39 and name HB2) 3.9 0.8 0.8 volume=0.510 peak=2023 ppm1=3.386 ppm2=2.009
assign ( resid 127 and name HG) ( resid 128 and name H) 4.5 0.9 0.9 volume=0.220 peak=1788 ppm1=1.732 ppm2=9.071
assign ( resid 15 and name HA) ( resid 14 and name HA) 4.5 0.9 0.9 volume=0.215 peak=2708 ppm1=3.372 ppm2=4.819
assign ( resid 9 and name HA) ( resid 9 and name H) 3.9 0.8 0.8 volume=0.498 peak=2205 ppm1=5.764 ppm2=9.753
assign ( resid 12 and name HG) ( resid 12 and name HD2*) 3.8 0.8 0.8 volume=0.576 peak=1821 ppm1=1.448 ppm2=0.386
assign ( resid 91 and name HA) ( resid 91 and name HB2) 4.1 0.8 0.8 volume=0.376 peak=1232 ppm1=4.547 ppm2=1.650
assign ( resid 22 and name HA) ( resid 23 and name H) 3.6 0.7 0.7 volume=0.797 peak=2597 ppm1=4.169 ppm2=8.833
assign ( resid 40 and name HA) ( resid 41 and name HD2) 4.3 0.9 0.9 volume=0.286 peak=417 ppm1=4.381 ppm2=3.435
assign ( resid 122 and name HG3) ( resid 122 and name HB3) 3.7 0.7 0.7 volume=0.757 peak=3129 ppm1=1.053 ppm2=1.678
assign ( resid 106 and name HG2*) ( resid 106 and name H) 3.8 0.8 0.8 volume=0.595 peak=1245 ppm1=0.631 ppm2=8.580
assign ( resid 26 and name HB*) ( resid 27 and name HD1*) 3.5 0.7 0.7 volume=0.991 peak=1441 ppm1=1.259 ppm2=0.656
assign ( resid 19 and name HA) ( resid 20 and name HB2) 4.5 0.9 0.9 volume=0.230 peak=2738 ppm1=5.369 ppm2=1.865
assign ( resid 47 and name HA) ( resid 47 and name HG2*) 3.6 0.7 0.7 volume=0.870 peak=1195 ppm1=3.972 ppm2=0.749
assign ( resid 19 and name HB2) ( resid 19 and name H) 5.0 1.0 1.0 volume=0.124 peak=939 ppm1=2.701 ppm2=9.134
assign ( resid 56 and name HA) ( resid 56 and name H) 4.5 0.9 0.9 volume=0.234 peak=2455 ppm1=4.044 ppm2=8.264
assign ( resid 21 and name HE3) ( resid 21 and name HG3) 2.8 0.6 0.6 volume=3.728 peak=173 ppm1=2.997 ppm2=1.208
assign ( resid 125 and name HB3) ( resid 125 and name HD3) 4.2 0.8 0.8 volume=0.359 peak=772 ppm1=1.905 ppm2=4.302
assign ( resid 24 and name HE3) ( resid 24 and name HB3) 2.3 0.5 0.5 volume=12.740 peak=398 ppm1=3.011 ppm2=1.691
assign ( resid 104 and name HA3) ( resid 104 and name H) 4.7 0.9 0.9 volume=0.168 peak=2022 ppm1=3.191 ppm2=8.813
assign ( resid 21 and name HA) ( resid 21 and name HD3) 3.8 0.8 0.8 volume=0.584 peak=593 ppm1=4.535 ppm2=1.606
assign ( resid 95 and name HA) ( resid 96 and name HB3) 4.6 0.9 0.9 volume=0.188 peak=800 ppm1=5.155 ppm2=2.103
assign ( resid 21 and name HE2) ( resid 21 and name HD2) 2.7 0.5 0.5 volume=5.286 peak=2922 ppm1=3.023 ppm2=1.755
assign ( resid 76 and name HG2*) ( resid 76 and name HG12) 3.7 0.7 0.7 volume=0.686 peak=216 ppm1=0.654 ppm2=0.356
assign ( resid 41 and name HG3) ( resid 41 and name HD2) 3.9 0.8 0.8 volume=0.544 peak=629 ppm1=1.970 ppm2=3.435
assign ( resid 44 and name HA) ( resid 45 and name H) 4.1 0.8 0.8 volume=0.405 peak=580 ppm1=4.407 ppm2=9.252
assign ( resid 29 and name HA) ( resid 28 and name H) 4.5 0.9 0.9 volume=0.214 peak=909 ppm1=4.337 ppm2=8.434
assign ( resid 114 and name HD3) ( resid 114 and name HE2) 2.9 0.6 0.6 volume=3.386 peak=232 ppm1=1.711 ppm2=2.989
assign ( resid 56 and name HD1*) ( resid 88 and name HH2) 4.1 0.8 0.8 volume=0.364 peak=412 ppm1=-0.086 ppm2=7.062
assign ( resid 91 and name HG2) ( resid 91 and name H) 3.9 0.8 0.8 volume=0.495 peak=2334 ppm1=2.123 ppm2=7.021
assign ( resid 31 and name HD1*) ( resid 30 and name HA) 4.3 0.9 0.9 volume=0.281 peak=2534 ppm1=0.436 ppm2=5.355
assign ( resid 32 and name HG2*) ( resid 33 and name H) 3.3 0.7 0.7 volume=1.463 peak=358 ppm1=1.010 ppm2=8.623
assign ( resid 128 and name HB) ( resid 128 and name HG2*) 3.5 0.7 0.7 volume=0.964 peak=2035 ppm1=2.430 ppm2=0.798
assign ( resid 24 and name HD2) ( resid 25 and name H) 4.1 0.8 0.8 volume=0.362 peak=2285 ppm1=1.704 ppm2=8.689
assign ( resid 70 and name HG2*) ( resid 84 and name HD1) 4.8 1.0 1.0 volume=0.153 peak=244 ppm1=0.622 ppm2=11.424
assign ( resid 125 and name HD3) ( resid 125 and name HB2) 4.4 0.9 0.9 volume=0.270 peak=2038 ppm1=4.298 ppm2=2.310
assign ( resid 69 and name HB2) ( resid 69 and name HG3) 2.6 0.5 0.5 volume=6.084 peak=2703 ppm1=2.228 ppm2=1.906
assign ( resid 122 and name HG3) ( resid 122 and name H) 4.4 0.9 0.9 volume=0.260 peak=855 ppm1=1.054 ppm2=9.206
assign ( resid 35 and name HE3) ( resid 35 and name HG3) 3.6 0.7 0.7 volume=0.916 peak=330 ppm1=2.832 ppm2=1.181
assign ( resid 98 and name HD3) ( resid 99 and name HG2*) 3.9 0.8 0.8 volume=0.509 peak=521 ppm1=1.257 ppm2=1.079
assign ( resid 119 and name HE*) ( resid 119 and name HG3) 2.8 0.6 0.6 volume=3.620 peak=1502 ppm1=2.070 ppm2=2.562
assign ( resid 50 and name HG3) ( resid 50 and name H) 4.9 1.0 1.0 volume=0.138 peak=476 ppm1=1.075 ppm2=7.681
assign ( resid 121 and name HA) ( resid 122 and name HA) 4.2 0.8 0.8 volume=0.316 peak=1400 ppm1=4.426 ppm2=3.694
assign ( resid 97 and name HA) ( resid 97 and name HB3) 4.4 0.9 0.9 volume=0.257 peak=1008 ppm1=3.740 ppm2=3.093
assign ( resid 115 and name HG3) ( resid 115 and name HA) 3.0 0.6 0.6 volume=2.613 peak=1750 ppm1=2.351 ppm2=3.958
assign ( resid 3 and name HB2) ( resid 3 and name HG2) 3.3 0.7 0.7 volume=1.385 peak=2860 ppm1=1.930 ppm2=2.335
assign ( resid 3 and name HE*) ( resid 8 and name H) 4.5 0.9 0.9 volume=0.236 peak=2464 ppm1=1.943 ppm2=9.207
assign ( resid 57 and name HG3) ( resid 57 and name HE2) 3.4 0.7 0.7 volume=1.215 peak=1827 ppm1=1.157 ppm2=2.768
assign ( resid 3 and name HG3) ( resid 3 and name HE*) 3.3 0.7 0.7 volume=1.551 peak=364 ppm1=2.410 ppm2=1.955
assign ( resid 4 and name HG2) ( resid 5 and name H) 3.4 0.7 0.7 volume=1.114 peak=274 ppm1=2.229 ppm2=8.421
assign ( resid 110 and name HG3) ( resid 110 and name HD3) 4.2 0.8 0.8 volume=0.322 peak=1200 ppm1=2.359 ppm2=3.918
assign ( resid 31 and name HG12) ( resid 31 and name HA) 4.3 0.9 0.9 volume=0.283 peak=791 ppm1=0.788 ppm2=5.066
assign ( resid 28 and name HB3) ( resid 28 and name HA) 3.8 0.8 0.8 volume=0.621 peak=166 ppm1=1.918 ppm2=4.986
assign ( resid 4 and name HG2) ( resid 4 and name H) 3.3 0.7 0.7 volume=1.534 peak=2535 ppm1=2.229 ppm2=8.359
assign ( resid 17 and name HG2) ( resid 17 and name HE*) 3.4 0.7 0.7 volume=1.197 peak=1855 ppm1=2.257 ppm2=1.479
assign ( resid 110 and name HD3) ( resid 110 and name HG3) 4.3 0.9 0.9 volume=0.272 peak=2810 ppm1=3.914 ppm2=2.363
assign ( resid 40 and name HG2*) ( resid 40 and name H) 3.1 0.6 0.6 volume=1.913 peak=499 ppm1=1.119 ppm2=8.624
assign ( resid 121 and name HA) ( resid 120 and name HA) 4.3 0.9 0.9 volume=0.276 peak=301 ppm1=4.426 ppm2=3.699
assign ( resid 76 and name HD1*) ( resid 83 and name H) 4.3 0.9 0.9 volume=0.278 peak=2108 ppm1=0.179 ppm2=8.221
assign ( resid 59 and name HG2*) ( resid 59 and name H) 3.5 0.7 0.7 volume=0.927 peak=472 ppm1=1.126 ppm2=8.683
assign ( resid 24 and name HG3) ( resid 24 and name HE3) 3.0 0.6 0.6 volume=2.568 peak=794 ppm1=1.387 ppm2=3.015
assign ( resid 122 and name HD2) ( resid 122 and name HB2) 3.1 0.6 0.6 volume=2.266 peak=659 ppm1=1.785 ppm2=1.691
assign ( resid 41 and name HB2) ( resid 40 and name HA) 4.0 0.8 0.8 volume=0.438 peak=3065 ppm1=1.845 ppm2=4.385
assign ( resid 32 and name HB) ( resid 31 and name HA) 4.8 1.0 1.0 volume=0.145 peak=2112 ppm1=1.896 ppm2=5.066
assign ( resid 40 and name HG2*) ( resid 40 and name HA) 2.7 0.5 0.5 volume=4.423 peak=1227 ppm1=1.120 ppm2=4.385
assign ( resid 68 and name HB3) ( resid 69 and name HA) 4.2 0.8 0.8 volume=0.350 peak=685 ppm1=3.387 ppm2=4.919
assign ( resid 46 and name HB3) ( resid 46 and name HA) 4.6 0.9 0.9 volume=0.206 peak=2249 ppm1=2.730 ppm2=5.165
assign ( resid 39 and name HA) ( resid 38 and name HA) 4.3 0.9 0.9 volume=0.281 peak=818 ppm1=4.157 ppm2=4.577
assign ( resid 53 and name HA) ( resid 54 and name H) 3.7 0.7 0.7 volume=0.754 peak=3130 ppm1=4.409 ppm2=7.086
assign ( resid 3 and name HG3) ( resid 3 and name HB3) 3.5 0.7 0.7 volume=1.072 peak=1314 ppm1=2.410 ppm2=1.737
assign ( resid 106 and name HG13) ( resid 107 and name H) 4.7 0.9 0.9 volume=0.167 peak=453 ppm1=1.312 ppm2=8.911
assign ( resid 114 and name HA) ( resid 117 and name H) 4.6 0.9 0.9 volume=0.189 peak=724 ppm1=2.848 ppm2=8.811
assign ( resid 100 and name HD3) ( resid 100 and name HA) 3.3 0.7 0.7 volume=1.547 peak=3020 ppm1=3.104 ppm2=4.771
assign ( resid 65 and name HD3) ( resid 65 and name HA) 4.5 0.9 0.9 volume=0.233 peak=1635 ppm1=3.881 ppm2=4.960
assign ( resid 15 and name HA) ( resid 15 and name HB2) 4.5 0.9 0.9 volume=0.219 peak=440 ppm1=3.372 ppm2=2.237
assign ( resid 119 and name HB2) ( resid 119 and name H) 3.6 0.7 0.7 volume=0.907 peak=1645 ppm1=1.970 ppm2=7.351
assign ( resid 101 and name HA2) ( resid 100 and name H) 4.9 1.0 1.0 volume=0.132 peak=290 ppm1=4.223 ppm2=8.902
assign ( resid 17 and name HG2) ( resid 17 and name HA) 4.2 0.8 0.8 volume=0.312 peak=880 ppm1=2.257 ppm2=5.631
assign ( resid 59 and name HB) ( resid 59 and name HA) 3.1 0.6 0.6 volume=2.018 peak=2545 ppm1=3.851 ppm2=4.771
assign ( resid 91 and name HG3) ( resid 92 and name HA) 3.8 0.8 0.8 volume=0.566 peak=1103 ppm1=2.214 ppm2=4.442
assign ( resid 98 and name HG3) ( resid 98 and name HD3) 4.5 0.9 0.9 volume=0.210 peak=469 ppm1=-0.332 ppm2=1.261
assign ( resid 7 and name HB3) ( resid 7 and name HA) 4.4 0.9 0.9 volume=0.269 peak=997 ppm1=3.511 ppm2=5.076
assign ( resid 44 and name HG2*) ( resid 45 and name H) 3.7 0.7 0.7 volume=0.723 peak=2381 ppm1=0.875 ppm2=9.252
assign ( resid 50 and name HD2) ( resid 50 and name HA) 4.1 0.8 0.8 volume=0.363 peak=686 ppm1=1.791 ppm2=4.772
assign ( resid 113 and name HB2) ( resid 113 and name HE*) 4.2 0.8 0.8 volume=0.318 peak=1628 ppm1=2.168 ppm2=2.075
assign ( resid 17 and name HG3) ( resid 17 and name HB2) 3.4 0.7 0.7 volume=1.151 peak=3073 ppm1=1.775 ppm2=1.476
assign ( resid 25 and name HG2*) ( resid 25 and name HA) 2.9 0.6 0.6 volume=2.926 peak=562 ppm1=0.804 ppm2=3.259
assign ( resid 74 and name HE*) ( resid 73 and name H) 4.7 0.9 0.9 volume=0.174 peak=924 ppm1=1.634 ppm2=9.056
assign ( resid 71 and name HA) ( resid 70 and name HA) 3.8 0.8 0.8 volume=0.586 peak=1017 ppm1=4.318 ppm2=4.747
assign ( resid 9 and name HG3) ( resid 9 and name HA) 4.3 0.9 0.9 volume=0.308 peak=3109 ppm1=2.542 ppm2=5.768
assign ( resid 115 and name HA) ( resid 115 and name HG3) 3.5 0.7 0.7 volume=0.988 peak=2974 ppm1=3.954 ppm2=2.355
assign ( resid 119 and name HG2) ( resid 119 and name HB3) 3.4 0.7 0.7 volume=1.240 peak=2796 ppm1=2.698 ppm2=2.122
assign ( resid 121 and name HB2) ( resid 121 and name H) 3.8 0.8 0.8 volume=0.633 peak=1041 ppm1=1.726 ppm2=8.087
assign ( resid 68 and name HB2) ( resid 69 and name HA) 4.3 0.9 0.9 volume=0.298 peak=2462 ppm1=3.342 ppm2=4.919
assign ( resid 56 and name HD1*) ( resid 88 and name HZ3) 4.9 1.0 1.0 volume=0.133 peak=1993 ppm1=-0.077 ppm2=7.476
assign ( resid 70 and name HG1*) ( resid 84 and name HD1) 4.2 0.8 0.8 volume=0.342 peak=2422 ppm1=1.016 ppm2=11.434
assign ( resid 13 and name HB3) ( resid 14 and name HA) 5.0 1.0 1.0 volume=0.117 peak=2820 ppm1=2.061 ppm2=4.819
assign ( resid 69 and name HD3) ( resid 69 and name HA) 4.1 0.8 0.8 volume=0.387 peak=1995 ppm1=3.652 ppm2=4.919
assign ( resid 24 and name HG3) ( resid 24 and name HA) 3.0 0.6 0.6 volume=2.371 peak=3024 ppm1=1.387 ppm2=4.755
assign ( resid 125 and name HG2) ( resid 125 and name HA) 3.9 0.8 0.8 volume=0.528 peak=1563 ppm1=2.159 ppm2=4.464
assign ( resid 66 and name HB2) ( resid 65 and name HA) 4.1 0.8 0.8 volume=0.387 peak=692 ppm1=2.592 ppm2=4.960
assign ( resid 115 and name HB3) ( resid 116 and name HA) 4.3 0.9 0.9 volume=0.279 peak=2634 ppm1=2.012 ppm2=3.554
assign ( resid 9 and name HB2) ( resid 9 and name HA) 4.4 0.9 0.9 volume=0.238 peak=767 ppm1=2.438 ppm2=5.768
assign ( resid 112 and name HG1*) ( resid 112 and name HB) 2.7 0.5 0.5 volume=4.541 peak=1150 ppm1=0.664 ppm2=1.744
assign ( resid 127 and name HD2*) ( resid 127 and name H) 3.7 0.7 0.7 volume=0.710 peak=646 ppm1=0.793 ppm2=9.586
assign ( resid 98 and name HG3) ( resid 98 and name HG2) 4.3 0.9 0.9 volume=0.286 peak=2684 ppm1=-0.333 ppm2=-0.176
assign ( resid 57 and name HD2) ( resid 57 and name HE3) 2.9 0.6 0.6 volume=3.413 peak=1623 ppm1=1.497 ppm2=2.773
assign ( resid 26 and name HB*) ( resid 21 and name H) 3.4 0.7 0.7 volume=1.209 peak=2345 ppm1=1.259 ppm2=8.454
assign ( resid 17 and name HE*) ( resid 109 and name HG3) 4.4 0.9 0.9 volume=0.244 peak=1712 ppm1=1.477 ppm2=-0.114
assign ( resid 98 and name HE2) ( resid 97 and name HZ2) 3.5 0.7 0.7 volume=0.950 peak=2626 ppm1=2.731 ppm2=7.467
assign ( resid 95 and name HB3) ( resid 95 and name H) 4.2 0.8 0.8 volume=0.314 peak=2484 ppm1=2.597 ppm2=8.530
assign ( resid 127 and name HB2) ( resid 128 and name HA) 4.2 0.8 0.8 volume=0.346 peak=2672 ppm1=1.878 ppm2=5.041
assign ( resid 87 and name HB2) ( resid 87 and name HA) 3.3 0.7 0.7 volume=1.304 peak=771 ppm1=2.958 ppm2=4.193
assign ( resid 101 and name HA2) ( resid 101 and name H) 5.0 1.0 1.0 volume=0.120 peak=2426 ppm1=4.223 ppm2=7.201
assign ( resid 128 and name HB) ( resid 129 and name H) 5.4 1.1 1.1 volume=0.070 peak=54 ppm1=2.429 ppm2=8.823
assign ( resid 10 and name HB) ( resid 11 and name H) 4.9 1.0 1.0 volume=0.130 peak=399 ppm1=2.145 ppm2=8.630
assign ( resid 114 and name HA) ( resid 114 and name HB2) 3.4 0.7 0.7 volume=1.243 peak=1457 ppm1=2.844 ppm2=1.802
assign ( resid 24 and name HG3) ( resid 24 and name HB3) 2.4 0.5 0.5 volume=9.455 peak=1752 ppm1=1.387 ppm2=1.691
assign ( resid 81 and name HB) ( resid 81 and name HG1*) 3.6 0.7 0.7 volume=0.811 peak=370 ppm1=1.601 ppm2=0.753
assign ( resid 111 and name HB2) ( resid 111 and name H) 3.8 0.8 0.8 volume=0.618 peak=2187 ppm1=3.889 ppm2=8.916
assign ( resid 56 and name HA) ( resid 57 and name HB3) 4.4 0.9 0.9 volume=0.247 peak=482 ppm1=4.044 ppm2=1.410
assign ( resid 57 and name HE3) ( resid 57 and name HG3) 2.9 0.6 0.6 volume=2.972 peak=1897 ppm1=2.769 ppm2=1.161
assign ( resid 74 and name HE*) ( resid 117 and name H) 3.7 0.7 0.7 volume=0.705 peak=978 ppm1=1.634 ppm2=8.824
assign ( resid 5 and name HB3) ( resid 4 and name HA) 3.9 0.8 0.8 volume=0.501 peak=628 ppm1=2.673 ppm2=4.307
assign ( resid 83 and name HG2*) ( resid 84 and name H) 3.3 0.7 0.7 volume=1.381 peak=3165 ppm1=0.719 ppm2=8.049
assign ( resid 13 and name HA) ( resid 13 and name H) 3.3 0.7 0.7 volume=1.385 peak=70 ppm1=3.985 ppm2=9.097
assign ( resid 111 and name HA) ( resid 111 and name HB3) 3.0 0.6 0.6 volume=2.701 peak=350 ppm1=3.890 ppm2=4.117
assign ( resid 30 and name HA) ( resid 30 and name HB2) 4.2 0.8 0.8 volume=0.330 peak=2769 ppm1=5.347 ppm2=2.577
assign ( resid 38 and name HB) ( resid 39 and name HD3) 4.4 0.9 0.9 volume=0.258 peak=2600 ppm1=4.331 ppm2=3.398
assign ( resid 109 and name HB3) ( resid 110 and name HD2) 4.6 0.9 0.9 volume=0.184 peak=1316 ppm1=1.331 ppm2=3.824
assign ( resid 25 and name HG1*) ( resid 18 and name HA) 3.9 0.8 0.8 volume=0.548 peak=770 ppm1=0.681 ppm2=4.960
assign ( resid 74 and name HE*) ( resid 74 and name HG2) 3.1 0.6 0.6 volume=2.274 peak=1866 ppm1=1.634 ppm2=2.441
assign ( resid 76 and name HD1*) ( resid 82 and name H) 4.2 0.8 0.8 volume=0.347 peak=995 ppm1=0.172 ppm2=6.941
assign ( resid 69 and name HB3) ( resid 70 and name HA) 3.9 0.8 0.8 volume=0.544 peak=403 ppm1=1.900 ppm2=4.747
assign ( resid 17 and name HE*) ( resid 17 and name H) 3.6 0.7 0.7 volume=0.805 peak=1321 ppm1=1.475 ppm2=8.295
assign ( resid 2 and name HB3) ( resid 2 and name HD2) 3.9 0.8 0.8 volume=0.509 peak=1010 ppm1=3.121 ppm2=7.063
assign ( resid 4 and name HG3) ( resid 5 and name H) 3.4 0.7 0.7 volume=1.098 peak=650 ppm1=2.221 ppm2=8.421
assign ( resid 45 and name HB3) ( resid 45 and name HD*) 4.8 1.0 1.0 volume=0.149 peak=1959 ppm1=2.455 ppm2=7.158
assign ( resid 61 and name HA) ( resid 62 and name H) 4.3 0.9 0.9 volume=0.299 peak=944 ppm1=4.392 ppm2=7.735
assign ( resid 4 and name HG3) ( resid 4 and name HA) 2.9 0.6 0.6 volume=3.095 peak=2893 ppm1=2.221 ppm2=4.307
assign ( resid 76 and name HD1*) ( resid 83 and name HA) 4.5 0.9 0.9 volume=0.236 peak=1510 ppm1=0.172 ppm2=4.608
assign ( resid 110 and name HB2) ( resid 110 and name HA) 4.0 0.8 0.8 volume=0.417 peak=2197 ppm1=2.641 ppm2=3.998
assign ( resid 8 and name HA) ( resid 8 and name HG2*) 3.6 0.7 0.7 volume=0.855 peak=821 ppm1=5.298 ppm2=0.863
assign ( resid 125 and name HG3) ( resid 7 and name HB3) 4.5 0.9 0.9 volume=0.216 peak=2128 ppm1=2.349 ppm2=3.525
assign ( resid 35 and name HD2) ( resid 35 and name H) 4.7 0.9 0.9 volume=0.170 peak=1538 ppm1=1.598 ppm2=8.308
assign ( resid 106 and name HG2*) ( resid 17 and name HA) 4.5 0.9 0.9 volume=0.221 peak=844 ppm1=0.630 ppm2=5.646
assign ( resid 125 and name HD3) ( resid 124 and name HB) 5.2 1.0 1.0 volume=0.091 peak=596 ppm1=4.298 ppm2=3.813
assign ( resid 13 and name HA) ( resid 14 and name H) 4.0 0.8 0.8 volume=0.448 peak=2057 ppm1=3.980 ppm2=7.708
assign ( resid 29 and name HA) ( resid 29 and name HB) 3.9 0.8 0.8 volume=0.543 peak=250 ppm1=4.337 ppm2=3.966
assign ( resid 122 and name HB3) ( resid 122 and name HG3) 3.8 0.8 0.8 volume=0.646 peak=2620 ppm1=1.674 ppm2=1.057
assign ( resid 39 and name HB2) ( resid 40 and name HA) 3.6 0.7 0.7 volume=0.912 peak=1131 ppm1=2.004 ppm2=4.391
assign ( resid 21 and name HA) ( resid 21 and name HG2) 4.2 0.8 0.8 volume=0.324 peak=1403 ppm1=4.534 ppm2=1.210
assign ( resid 113 and name HA) ( resid 112 and name H) 4.4 0.9 0.9 volume=0.265 peak=1214 ppm1=4.076 ppm2=6.727
assign ( resid 21 and name HB2) ( resid 21 and name HE3) 4.5 0.9 0.9 volume=0.234 peak=2371 ppm1=1.105 ppm2=3.001
assign ( resid 114 and name HB3) ( resid 114 and name HG3) 3.7 0.7 0.7 volume=0.670 peak=3075 ppm1=1.764 ppm2=1.352
assign ( resid 35 and name HD3) ( resid 35 and name HB3) 3.3 0.7 0.7 volume=1.377 peak=367 ppm1=1.392 ppm2=1.504
assign ( resid 98 and name HG2) ( resid 98 and name HE3) 4.1 0.8 0.8 volume=0.387 peak=1012 ppm1=-0.181 ppm2=2.748
assign ( resid 57 and name HE3) ( resid 57 and name HB3) 3.3 0.7 0.7 volume=1.471 peak=2322 ppm1=2.769 ppm2=1.410
assign ( resid 65 and name HB3) ( resid 65 and name HG3) 2.7 0.5 0.5 volume=4.372 peak=1490 ppm1=1.827 ppm2=2.003
assign ( resid 127 and name HB3) ( resid 127 and name H) 4.2 0.8 0.8 volume=0.344 peak=786 ppm1=1.837 ppm2=9.587
assign ( resid 108 and name HB) ( resid 108 and name H) 4.3 0.9 0.9 volume=0.287 peak=519 ppm1=3.404 ppm2=8.156
assign ( resid 74 and name HE*) ( resid 35 and name HA) 4.7 0.9 0.9 volume=0.166 peak=2670 ppm1=1.634 ppm2=5.132
assign ( resid 14 and name HB2) ( resid 14 and name HD22) 3.9 0.8 0.8 volume=0.506 peak=1986 ppm1=2.855 ppm2=8.998
assign ( resid 115 and name HG2) ( resid 116 and name H) 3.7 0.7 0.7 volume=0.663 peak=858 ppm1=2.197 ppm2=8.638
assign ( resid 54 and name HA) ( resid 54 and name H) 4.2 0.8 0.8 volume=0.357 peak=3174 ppm1=4.498 ppm2=7.086
assign ( resid 21 and name HA) ( resid 21 and name H) 4.8 1.0 1.0 volume=0.150 peak=2892 ppm1=4.534 ppm2=8.457
assign ( resid 100 and name HD3) ( resid 100 and name HB2) 3.6 0.7 0.7 volume=0.901 peak=14 ppm1=3.103 ppm2=2.283
assign ( resid 5 and name HB3) ( resid 6 and name H) 3.8 0.8 0.8 volume=0.654 peak=2355 ppm1=2.673 ppm2=7.711
assign ( resid 96 and name HA) ( resid 96 and name HD2*) 3.0 0.6 0.6 volume=2.285 peak=776 ppm1=3.872 ppm2=0.726
assign ( resid 119 and name HB3) ( resid 119 and name HG2) 3.7 0.7 0.7 volume=0.676 peak=1601 ppm1=2.118 ppm2=2.702
assign ( resid 84 and name HB2) ( resid 84 and name HB3) 4.6 0.9 0.9 volume=0.202 peak=867 ppm1=3.999 ppm2=3.730
assign ( resid 32 and name HG1*) ( resid 32 and name HB) 3.3 0.7 0.7 volume=1.506 peak=653 ppm1=1.116 ppm2=1.902
assign ( resid 61 and name HB3) ( resid 62 and name HA) 4.7 0.9 0.9 volume=0.178 peak=2779 ppm1=2.733 ppm2=4.532
assign ( resid 125 and name HD2) ( resid 125 and name HD3) 4.3 0.9 0.9 volume=0.299 peak=374 ppm1=4.453 ppm2=4.307
assign ( resid 58 and name HA3) ( resid 59 and name HB) 3.3 0.7 0.7 volume=1.355 peak=1013 ppm1=3.787 ppm2=3.855
assign ( resid 17 and name HB3) ( resid 17 and name HG3) 4.2 0.8 0.8 volume=0.339 peak=2859 ppm1=1.643 ppm2=1.779
assign ( resid 57 and name HB2) ( resid 57 and name H) 4.2 0.8 0.8 volume=0.351 peak=956 ppm1=1.596 ppm2=7.988
assign ( resid 69 and name HG2) ( resid 69 and name HD2) 3.2 0.6 0.6 volume=1.560 peak=2483 ppm1=2.176 ppm2=3.788
assign ( resid 69 and name HD2) ( resid 69 and name HB2) 3.6 0.7 0.7 volume=0.840 peak=2192 ppm1=3.780 ppm2=2.232
assign ( resid 98 and name HE2) ( resid 98 and name HG2) 3.8 0.8 0.8 volume=0.589 peak=1170 ppm1=2.731 ppm2=-0.177
assign ( resid 113 and name HE*) ( resid 116 and name HG) 3.8 0.8 0.8 volume=0.610 peak=2013 ppm1=2.073 ppm2=1.138
assign ( resid 121 and name HB3) ( resid 121 and name HA) 3.4 0.7 0.7 volume=1.168 peak=2665 ppm1=2.068 ppm2=4.430
assign ( resid 107 and name HA) ( resid 107 and name HD21) 4.5 0.9 0.9 volume=0.207 peak=114 ppm1=3.986 ppm2=5.657
assign ( resid 106 and name HB) ( resid 106 and name HG2*) 3.4 0.7 0.7 volume=1.292 peak=430 ppm1=1.679 ppm2=0.634
assign ( resid 17 and name HE*) ( resid 9 and name H) 4.4 0.9 0.9 volume=0.262 peak=1877 ppm1=1.477 ppm2=9.768
assign ( resid 70 and name HG2*) ( resid 53 and name HB2) 4.6 0.9 0.9 volume=0.191 peak=313 ppm1=0.613 ppm2=2.604
assign ( resid 125 and name HB3) ( resid 125 and name HG2) 4.0 0.8 0.8 volume=0.478 peak=901 ppm1=1.905 ppm2=2.168
assign ( resid 27 and name HA) ( resid 27 and name HD1*) 4.2 0.8 0.8 volume=0.343 peak=2522 ppm1=4.489 ppm2=0.646
assign ( resid 70 and name HG1*) ( resid 88 and name HZ2) 3.9 0.8 0.8 volume=0.551 peak=1054 ppm1=1.017 ppm2=7.750
assign ( resid 27 and name HA) ( resid 27 and name HG) 3.8 0.8 0.8 volume=0.599 peak=2429 ppm1=4.489 ppm2=1.534
assign ( resid 112 and name HG1*) ( resid 113 and name H) 3.6 0.7 0.7 volume=0.850 peak=81 ppm1=0.664 ppm2=8.556
assign ( resid 74 and name HG3) ( resid 74 and name HA) 4.7 0.9 0.9 volume=0.178 peak=3183 ppm1=2.312 ppm2=4.993
assign ( resid 98 and name HD3) ( resid 98 and name HE3) 3.1 0.6 0.6 volume=2.109 peak=1703 ppm1=1.257 ppm2=2.748
assign ( resid 40 and name HG2*) ( resid 33 and name HG) 4.3 0.9 0.9 volume=0.285 peak=2206 ppm1=1.120 ppm2=5.921
assign ( resid 109 and name HA) ( resid 109 and name HB2) 4.6 0.9 0.9 volume=0.197 peak=2580 ppm1=4.415 ppm2=1.998
assign ( resid 17 and name HE*) ( resid 10 and name HA) 4.0 0.8 0.8 volume=0.470 peak=2257 ppm1=1.476 ppm2=4.524
assign ( resid 6 and name HG2*) ( resid 6 and name HB) 2.9 0.6 0.6 volume=3.249 peak=2972 ppm1=1.582 ppm2=4.187
assign ( resid 125 and name HG2) ( resid 125 and name HG3) 3.5 0.7 0.7 volume=1.005 peak=3154 ppm1=2.158 ppm2=2.351
assign ( resid 6 and name HG2*) ( resid 6 and name H) 3.7 0.7 0.7 volume=0.749 peak=2881 ppm1=1.582 ppm2=7.717
assign ( resid 106 and name HG2*) ( resid 106 and name HA) 3.4 0.7 0.7 volume=1.212 peak=850 ppm1=0.630 ppm2=3.906
assign ( resid 15 and name HG3) ( resid 15 and name H) 4.7 0.9 0.9 volume=0.176 peak=2656 ppm1=2.909 ppm2=8.034
assign ( resid 86 and name HA) ( resid 86 and name HB2) 4.5 0.9 0.9 volume=0.212 peak=1264 ppm1=3.614 ppm2=2.208
assign ( resid 64 and name HA) ( resid 65 and name HG2) 4.9 1.0 1.0 volume=0.138 peak=131 ppm1=4.566 ppm2=2.026
assign ( resid 37 and name HB) ( resid 37 and name H) 4.6 0.9 0.9 volume=0.203 peak=1574 ppm1=4.423 ppm2=7.290
assign ( resid 31 and name HB) ( resid 31 and name HG2*) 3.4 0.7 0.7 volume=1.222 peak=2947 ppm1=1.854 ppm2=0.614
assign ( resid 59 and name HB) ( resid 60 and name H) 3.6 0.7 0.7 volume=0.831 peak=806 ppm1=3.851 ppm2=9.480
assign ( resid 119 and name HA) ( resid 119 and name HG2) 3.6 0.7 0.7 volume=0.797 peak=3182 ppm1=4.452 ppm2=2.702
assign ( resid 112 and name HG1*) ( resid 112 and name H) 3.3 0.7 0.7 volume=1.362 peak=2925 ppm1=0.663 ppm2=6.729
assign ( resid 93 and name HA2) ( resid 92 and name HB3) 4.7 0.9 0.9 volume=0.174 peak=2086 ppm1=4.390 ppm2=2.564
assign ( resid 122 and name HG3) ( resid 123 and name H) 4.5 0.9 0.9 volume=0.227 peak=612 ppm1=1.053 ppm2=9.510
assign ( resid 52 and name HB2) ( resid 52 and name HA) 4.0 0.8 0.8 volume=0.448 peak=2596 ppm1=1.925 ppm2=4.973
assign ( resid 76 and name HG2*) ( resid 49 and name H) 4.5 0.9 0.9 volume=0.215 peak=2027 ppm1=0.648 ppm2=7.391
assign ( resid 26 and name HB*) ( resid 120 and name HG1*) 4.3 0.9 0.9 volume=0.303 peak=2663 ppm1=1.258 ppm2=0.197
assign ( resid 68 and name HB2) ( resid 70 and name HA) 4.1 0.8 0.8 volume=0.369 peak=2763 ppm1=3.342 ppm2=4.761
assign ( resid 13 and name HG3) ( resid 13 and name HA) 3.2 0.6 0.6 volume=1.857 peak=492 ppm1=2.260 ppm2=3.976
assign ( resid 127 and name HB3) ( resid 127 and name HG) 3.6 0.7 0.7 volume=0.917 peak=926 ppm1=1.838 ppm2=1.736
assign ( resid 116 and name HA) ( resid 116 and name HD1*) 3.6 0.7 0.7 volume=0.816 peak=663 ppm1=3.550 ppm2=0.607
assign ( resid 21 and name HE3) ( resid 21 and name HA) 4.6 0.9 0.9 volume=0.204 peak=2673 ppm1=2.998 ppm2=4.533
assign ( resid 100 and name HD2) ( resid 90 and name HG3) 4.4 0.9 0.9 volume=0.260 peak=1951 ppm1=3.218 ppm2=2.081
assign ( resid 117 and name HA) ( resid 118 and name H) 4.3 0.9 0.9 volume=0.294 peak=311 ppm1=3.720 ppm2=7.199
assign ( resid 121 and name HG2) ( resid 121 and name H) 3.4 0.7 0.7 volume=1.244 peak=2287 ppm1=2.239 ppm2=8.079
assign ( resid 65 and name HB2) ( resid 64 and name HA) 4.2 0.8 0.8 volume=0.318 peak=1787 ppm1=2.232 ppm2=4.563
assign ( resid 124 and name HG2*) ( resid 124 and name HA) 3.2 0.6 0.6 volume=1.814 peak=1374 ppm1=1.571 ppm2=4.448
assign ( resid 115 and name HB3) ( resid 115 and name HG3) 3.0 0.6 0.6 volume=2.453 peak=2401 ppm1=2.012 ppm2=2.355
assign ( resid 65 and name HB2) ( resid 65 and name HD2) 3.8 0.8 0.8 volume=0.586 peak=1092 ppm1=2.232 ppm2=3.698
assign ( resid 42 and name HB*) ( resid 43 and name HA2) 4.0 0.8 0.8 volume=0.424 peak=2956 ppm1=1.413 ppm2=3.652
assign ( resid 76 and name HG13) ( resid 76 and name HD1*) 4.2 0.8 0.8 volume=0.331 peak=2465 ppm1=0.604 ppm2=0.178
assign ( resid 122 and name HA) ( resid 122 and name HD2) 4.3 0.9 0.9 volume=0.298 peak=2603 ppm1=3.682 ppm2=1.790
assign ( resid 119 and name HE*) ( resid 119 and name HA) 2.9 0.6 0.6 volume=2.824 peak=491 ppm1=2.070 ppm2=4.456
assign ( resid 74 and name HG3) ( resid 74 and name HE*) 3.6 0.7 0.7 volume=0.807 peak=418 ppm1=2.312 ppm2=1.637
assign ( resid 115 and name HB3) ( resid 115 and name HG2) 2.9 0.6 0.6 volume=3.416 peak=2991 ppm1=2.012 ppm2=2.199
assign ( resid 69 and name HD3) ( resid 69 and name HG2) 3.6 0.7 0.7 volume=0.862 peak=2207 ppm1=3.653 ppm2=2.190
assign ( resid 84 and name HA) ( resid 73 and name HA) 4.3 0.9 0.9 volume=0.291 peak=2359 ppm1=5.599 ppm2=5.709
assign ( resid 21 and name HG3) ( resid 21 and name HB3) 3.0 0.6 0.6 volume=2.466 peak=1809 ppm1=1.204 ppm2=1.524
assign ( resid 116 and name HB3) ( resid 117 and name H) 4.7 0.9 0.9 volume=0.166 peak=2599 ppm1=1.212 ppm2=8.826
assign ( resid 27 and name HB3) ( resid 19 and name HB3) 4.2 0.8 0.8 volume=0.325 peak=2235 ppm1=1.768 ppm2=2.553
assign ( resid 101 and name HA2) ( resid 102 and name HA) 4.7 0.9 0.9 volume=0.177 peak=688 ppm1=4.223 ppm2=4.641
assign ( resid 125 and name HB2) ( resid 125 and name HD3) 5.4 1.1 1.1 volume=0.078 peak=1979 ppm1=2.306 ppm2=4.302
assign ( resid 100 and name HB3) ( resid 100 and name HB2) 3.3 0.7 0.7 volume=1.428 peak=999 ppm1=1.480 ppm2=2.286
assign ( resid 13 and name HA) ( resid 13 and name HG3) 3.2 0.6 0.6 volume=1.718 peak=1011 ppm1=3.985 ppm2=2.262
assign ( resid 50 and name HE2) ( resid 50 and name HB2) 2.8 0.6 0.6 volume=4.226 peak=2726 ppm1=2.995 ppm2=1.609
assign ( resid 125 and name HG3) ( resid 7 and name HB2) 4.3 0.9 0.9 volume=0.304 peak=1559 ppm1=2.355 ppm2=2.719
assign ( resid 111 and name HB3) ( resid 110 and name HA) 4.7 0.9 0.9 volume=0.166 peak=802 ppm1=4.113 ppm2=3.998
assign ( resid 76 and name HG2*) ( resid 76 and name HB) 3.5 0.7 0.7 volume=0.920 peak=871 ppm1=0.656 ppm2=2.024
assign ( resid 98 and name HB2) ( resid 98 and name HG3) 4.4 0.9 0.9 volume=0.258 peak=1255 ppm1=1.429 ppm2=-0.328
assign ( resid 65 and name HG2) ( resid 64 and name HA) 3.6 0.7 0.7 volume=0.867 peak=1088 ppm1=2.022 ppm2=4.570
assign ( resid 3 and name HG2) ( resid 3 and name HA) 3.7 0.7 0.7 volume=0.735 peak=2747 ppm1=2.330 ppm2=4.343
assign ( resid 83 and name HG13) ( resid 83 and name HG2*) 3.7 0.7 0.7 volume=0.725 peak=1957 ppm1=1.492 ppm2=0.722
assign ( resid 88 and name HB2) ( resid 88 and name HD1) 4.4 0.9 0.9 volume=0.271 peak=739 ppm1=3.456 ppm2=7.044
assign ( resid 76 and name HB) ( resid 76 and name HA) 4.7 0.9 0.9 volume=0.180 peak=2104 ppm1=2.027 ppm2=5.718
assign ( resid 96 and name HG) ( resid 96 and name HD1*) 3.2 0.6 0.6 volume=1.780 peak=2742 ppm1=1.721 ppm2=0.623
assign ( resid 92 and name HA) ( resid 92 and name HD*) 4.4 0.9 0.9 volume=0.259 peak=2275 ppm1=4.438 ppm2=6.763
assign ( resid 15 and name HA) ( resid 14 and name H) 5.0 1.0 1.0 volume=0.123 peak=2849 ppm1=3.372 ppm2=7.708
assign ( resid 36 and name HD2) ( resid 35 and name HB2) 4.7 0.9 0.9 volume=0.167 peak=1291 ppm1=4.016 ppm2=2.136
assign ( resid 90 and name HD2) ( resid 89 and name H) 4.8 1.0 1.0 volume=0.159 peak=2896 ppm1=4.088 ppm2=7.160
assign ( resid 116 and name HD1*) ( resid 116 and name HB2) 3.0 0.6 0.6 volume=2.366 peak=2640 ppm1=0.603 ppm2=1.769
assign ( resid 58 and name HA2) ( resid 59 and name HB) 4.2 0.8 0.8 volume=0.346 peak=1553 ppm1=3.289 ppm2=3.855
assign ( resid 128 and name HB) ( resid 129 and name HA) 5.1 1.0 1.0 volume=0.107 peak=2007 ppm1=2.430 ppm2=4.785
assign ( resid 128 and name HG1*) ( resid 128 and name HA) 3.2 0.6 0.6 volume=1.623 peak=2871 ppm1=0.807 ppm2=5.041
assign ( resid 17 and name HE*) ( resid 29 and name H) 3.6 0.7 0.7 volume=0.889 peak=1892 ppm1=1.476 ppm2=8.039
assign ( resid 74 and name HE*) ( resid 74 and name HA) 3.7 0.7 0.7 volume=0.672 peak=1153 ppm1=1.633 ppm2=4.993
assign ( resid 122 and name HG2) ( resid 122 and name HA) 4.2 0.8 0.8 volume=0.340 peak=1686 ppm1=1.387 ppm2=3.694
assign ( resid 35 and name HB3) ( resid 35 and name HD2) 3.7 0.7 0.7 volume=0.739 peak=2604 ppm1=1.500 ppm2=1.602
assign ( resid 51 and name HB2) ( resid 51 and name HG2) 2.9 0.6 0.6 volume=3.231 peak=1961 ppm1=2.242 ppm2=2.292
assign ( resid 71 and name HB2) ( resid 71 and name H) 3.9 0.8 0.8 volume=0.485 peak=2765 ppm1=1.734 ppm2=10.489
assign ( resid 22 and name HB2) ( resid 22 and name HA) 3.5 0.7 0.7 volume=1.080 peak=2751 ppm1=2.673 ppm2=4.173
assign ( resid 38 and name HB) ( resid 38 and name HA) 3.8 0.8 0.8 volume=0.597 peak=2969 ppm1=4.332 ppm2=4.574
assign ( resid 21 and name HB3) ( resid 21 and name HE2) 4.7 0.9 0.9 volume=0.173 peak=2492 ppm1=1.520 ppm2=3.027
assign ( resid 4 and name HB3) ( resid 5 and name H) 3.8 0.8 0.8 volume=0.565 peak=1616 ppm1=1.857 ppm2=8.421
assign ( resid 4 and name HG2) ( resid 4 and name HB3) 2.6 0.5 0.5 volume=5.745 peak=1728 ppm1=2.229 ppm2=1.861
assign ( resid 31 and name HD1*) ( resid 31 and name H) 3.7 0.7 0.7 volume=0.772 peak=715 ppm1=0.436 ppm2=7.634
assign ( resid 3 and name HA) ( resid 3 and name HE*) 3.3 0.7 0.7 volume=1.398 peak=94 ppm1=4.348 ppm2=1.955
assign ( resid 27 and name HD1*) ( resid 27 and name HA) 3.3 0.7 0.7 volume=1.531 peak=2843 ppm1=0.643 ppm2=4.483
assign ( resid 113 and name HB3) ( resid 113 and name HA) 4.9 1.0 1.0 volume=0.127 peak=2077 ppm1=1.384 ppm2=4.080
assign ( resid 27 and name HB2) ( resid 27 and name HD2*) 3.5 0.7 0.7 volume=0.945 peak=1305 ppm1=1.399 ppm2=0.814
assign ( resid 4 and name HA) ( resid 5 and name HB3) 4.1 0.8 0.8 volume=0.393 peak=1954 ppm1=4.303 ppm2=2.677
assign ( resid 76 and name HD1*) ( resid 81 and name HB) 4.1 0.8 0.8 volume=0.405 peak=2274 ppm1=0.176 ppm2=1.612
assign ( resid 30 and name HB3) ( resid 29 and name HA) 4.4 0.9 0.9 volume=0.255 peak=1862 ppm1=2.672 ppm2=4.341
assign ( resid 12 and name HD2*) ( resid 12 and name HG) 3.1 0.6 0.6 volume=2.174 peak=2155 ppm1=0.390 ppm2=1.451
assign ( resid 74 and name HB2) ( resid 74 and name HG3) 4.2 0.8 0.8 volume=0.334 peak=1320 ppm1=1.977 ppm2=2.325
assign ( resid 44 and name HB) ( resid 45 and name H) 5.2 1.0 1.0 volume=0.098 peak=1505 ppm1=1.788 ppm2=9.252
assign ( resid 122 and name HA) ( resid 121 and name HB2) 3.8 0.8 0.8 volume=0.607 peak=2700 ppm1=3.682 ppm2=1.731
assign ( resid 64 and name HB) ( resid 65 and name HD2) 3.6 0.7 0.7 volume=0.916 peak=2025 ppm1=4.330 ppm2=3.698
assign ( resid 35 and name HG2) ( resid 35 and name H) 4.6 0.9 0.9 volume=0.185 peak=2610 ppm1=1.594 ppm2=8.308
assign ( resid 114 and name HD3) ( resid 114 and name H) 4.2 0.8 0.8 volume=0.352 peak=1415 ppm1=1.711 ppm2=7.497
assign ( resid 8 and name HG12) ( resid 8 and name HG13) 4.2 0.8 0.8 volume=0.313 peak=2611 ppm1=0.917 ppm2=1.915
assign ( resid 22 and name HB2) ( resid 21 and name HA) 4.7 0.9 0.9 volume=0.180 peak=2278 ppm1=2.673 ppm2=4.539
assign ( resid 113 and name HA) ( resid 114 and name HB2) 3.7 0.7 0.7 volume=0.738 peak=2312 ppm1=4.076 ppm2=1.802
assign ( resid 62 and name HA) ( resid 62 and name HB2) 3.5 0.7 0.7 volume=1.044 peak=640 ppm1=4.528 ppm2=2.622
assign ( resid 25 and name HG1*) ( resid 25 and name HB) 2.6 0.5 0.5 volume=6.221 peak=3058 ppm1=0.677 ppm2=1.918
assign ( resid 116 and name HG) ( resid 116 and name HA) 4.3 0.9 0.9 volume=0.301 peak=1076 ppm1=1.137 ppm2=3.554
assign ( resid 98 and name HA) ( resid 98 and name HE2) 4.5 0.9 0.9 volume=0.210 peak=2316 ppm1=3.096 ppm2=2.735
assign ( resid 45 and name HB2) ( resid 44 and name HA) 5.9 1.2 1.2 volume=0.045 peak=1446 ppm1=4.113 ppm2=4.411
assign ( resid 4 and name HA) ( resid 3 and name HB3) 3.4 0.7 0.7 volume=1.161 peak=2054 ppm1=4.303 ppm2=1.744
assign ( resid 3 and name HB2) ( resid 2 and name HA) 4.8 1.0 1.0 volume=0.154 peak=1529 ppm1=1.930 ppm2=4.632
assign ( resid 24 and name HG2) ( resid 24 and name HE3) 3.0 0.6 0.6 volume=2.686 peak=1219 ppm1=1.397 ppm2=3.015
assign ( resid 13 and name HA) ( resid 97 and name HE1) 4.9 1.0 1.0 volume=0.125 peak=3102 ppm1=3.992 ppm2=10.635
assign ( resid 65 and name HD3) ( resid 65 and name HG2) 3.2 0.6 0.6 volume=1.594 peak=294 ppm1=3.881 ppm2=2.026
assign ( resid 87 and name HB3) ( resid 87 and name HA) 3.4 0.7 0.7 volume=1.249 peak=1658 ppm1=2.722 ppm2=4.196
assign ( resid 36 and name HB2) ( resid 36 and name HA) 3.7 0.7 0.7 volume=0.681 peak=1487 ppm1=2.514 ppm2=4.382
assign ( resid 120 and name HG1*) ( resid 116 and name HA) 3.5 0.7 0.7 volume=0.922 peak=1915 ppm1=0.198 ppm2=3.553
assign ( resid 66 and name HB2) ( resid 66 and name HA) 3.7 0.7 0.7 volume=0.664 peak=3060 ppm1=2.592 ppm2=4.898
assign ( resid 46 and name HB2) ( resid 46 and name HD*) 5.2 1.0 1.0 volume=0.094 peak=3170 ppm1=2.303 ppm2=6.945
assign ( resid 40 and name HG2*) ( resid 40 and name HB) 2.8 0.6 0.6 volume=3.672 peak=2366 ppm1=1.121 ppm2=3.671
assign ( resid 21 and name HA) ( resid 22 and name H) 4.1 0.8 0.8 volume=0.408 peak=801 ppm1=4.536 ppm2=8.650
assign ( resid 100 and name HB2) ( resid 100 and name H) 4.3 0.9 0.9 volume=0.305 peak=2193 ppm1=2.282 ppm2=8.902
assign ( resid 66 and name HB2) ( resid 66 and name HE*) 4.8 1.0 1.0 volume=0.149 peak=2814 ppm1=2.592 ppm2=6.040
assign ( resid 69 and name HD3) ( resid 69 and name HB3) 3.4 0.7 0.7 volume=1.275 peak=159 ppm1=3.651 ppm2=1.898
assign ( resid 22 and name HA) ( resid 21 and name HA) 4.1 0.8 0.8 volume=0.416 peak=1617 ppm1=4.169 ppm2=4.539
assign ( resid 86 and name HA) ( resid 88 and name HZ3) 4.5 0.9 0.9 volume=0.221 peak=1953 ppm1=3.618 ppm2=7.466
assign ( resid 122 and name HG3) ( resid 122 and name HD2) 3.5 0.7 0.7 volume=1.033 peak=44 ppm1=1.053 ppm2=1.789
assign ( resid 95 and name HA) ( resid 97 and name HE1) 4.3 0.9 0.9 volume=0.292 peak=966 ppm1=5.155 ppm2=10.644
assign ( resid 70 and name HG2*) ( resid 56 and name HD1*) 3.3 0.7 0.7 volume=1.541 peak=2143 ppm1=0.621 ppm2=-0.081
assign ( resid 89 and name HB3) ( resid 89 and name H) 4.4 0.9 0.9 volume=0.251 peak=2171 ppm1=1.202 ppm2=7.160
assign ( resid 9 and name HA) ( resid 9 and name HG2) 4.2 0.8 0.8 volume=0.321 peak=859 ppm1=5.764 ppm2=2.668
assign ( resid 98 and name HE3) ( resid 98 and name HB3) 3.7 0.7 0.7 volume=0.713 peak=726 ppm1=2.744 ppm2=1.402
assign ( resid 12 and name HB2) ( resid 12 and name H) 4.2 0.8 0.8 volume=0.358 peak=2971 ppm1=1.798 ppm2=9.544
assign ( resid 57 and name HB2) ( resid 57 and name HD3) 3.3 0.7 0.7 volume=1.459 peak=1471 ppm1=1.596 ppm2=1.487
assign ( resid 96 and name HG) ( resid 96 and name HA) 3.8 0.8 0.8 volume=0.647 peak=2354 ppm1=1.722 ppm2=3.875
assign ( resid 28 and name HB3) ( resid 29 and name H) 4.3 0.9 0.9 volume=0.295 peak=1124 ppm1=1.918 ppm2=8.044
assign ( resid 112 and name HB) ( resid 112 and name HG2*) 3.2 0.6 0.6 volume=1.789 peak=1521 ppm1=1.740 ppm2=0.882
assign ( resid 120 and name HG1*) ( resid 116 and name HG) 3.1 0.6 0.6 volume=1.896 peak=3098 ppm1=0.199 ppm2=1.133
assign ( resid 62 and name HB2) ( resid 62 and name HB3) 3.1 0.6 0.6 volume=2.029 peak=2210 ppm1=2.621 ppm2=3.094
assign ( resid 65 and name HB3) ( resid 65 and name HG2) 2.8 0.6 0.6 volume=3.727 peak=191 ppm1=1.827 ppm2=2.026
assign ( resid 69 and name HB2) ( resid 69 and name HD2) 3.6 0.7 0.7 volume=0.784 peak=1152 ppm1=2.229 ppm2=3.789
assign ( resid 81 and name HB) ( resid 82 and name H) 4.7 0.9 0.9 volume=0.174 peak=833 ppm1=1.598 ppm2=6.940
assign ( resid 53 and name HB2) ( resid 54 and name H) 4.0 0.8 0.8 volume=0.446 peak=1859 ppm1=2.602 ppm2=7.100
assign ( resid 109 and name HA) ( resid 110 and name HD2) 4.3 0.9 0.9 volume=0.281 peak=3110 ppm1=4.415 ppm2=3.817
assign ( resid 29 and name HG2*) ( resid 30 and name HA) 4.6 0.9 0.9 volume=0.196 peak=3018 ppm1=0.552 ppm2=5.350
assign ( resid 17 and name HE*) ( resid 113 and name HA) 4.2 0.8 0.8 volume=0.345 peak=1799 ppm1=1.477 ppm2=4.080
assign ( resid 122 and name HB2) ( resid 122 and name H) 3.9 0.8 0.8 volume=0.513 peak=2064 ppm1=1.687 ppm2=9.213
assign ( resid 127 and name HG) ( resid 127 and name HD2*) 2.8 0.6 0.6 volume=3.531 peak=3069 ppm1=1.733 ppm2=0.807
assign ( resid 120 and name HB) ( resid 120 and name H) 3.3 0.7 0.7 volume=1.346 peak=1516 ppm1=1.456 ppm2=7.328
assign ( resid 21 and name HA) ( resid 21 and name HB2) 4.6 0.9 0.9 volume=0.185 peak=388 ppm1=4.535 ppm2=1.109
assign ( resid 39 and name HD3) ( resid 39 and name HA) 5.6 1.1 1.1 volume=0.058 peak=790 ppm1=3.386 ppm2=4.160
assign ( resid 36 and name HG2) ( resid 36 and name HB2) 4.2 0.8 0.8 volume=0.358 peak=237 ppm1=1.844 ppm2=2.518
assign ( resid 98 and name HE2) ( resid 97 and name HH2) 4.1 0.8 0.8 volume=0.367 peak=1747 ppm1=2.732 ppm2=7.205
assign ( resid 110 and name HD2) ( resid 110 and name HG3) 4.4 0.9 0.9 volume=0.271 peak=2254 ppm1=3.820 ppm2=2.363
assign ( resid 127 and name HD1*) ( resid 127 and name H) 3.8 0.8 0.8 volume=0.565 peak=1642 ppm1=0.820 ppm2=9.581
assign ( resid 106 and name HD1*) ( resid 106 and name HG13) 3.0 0.6 0.6 volume=2.478 peak=673 ppm1=0.598 ppm2=1.316
assign ( resid 27 and name HA) ( resid 28 and name HB3) 5.0 1.0 1.0 volume=0.118 peak=451 ppm1=4.490 ppm2=1.933
assign ( resid 47 and name HB) ( resid 46 and name HA) 5.3 1.1 1.1 volume=0.085 peak=2314 ppm1=1.958 ppm2=5.165
assign ( resid 24 and name HD3) ( resid 24 and name HG2) 2.7 0.5 0.5 volume=5.012 peak=3028 ppm1=1.656 ppm2=1.401
assign ( resid 12 and name HB3) ( resid 12 and name HD2*) 3.9 0.8 0.8 volume=0.486 peak=1344 ppm1=0.937 ppm2=0.394
assign ( resid 57 and name HD3) ( resid 57 and name HA) 4.0 0.8 0.8 volume=0.452 peak=2873 ppm1=1.483 ppm2=4.646
assign ( resid 106 and name HA) ( resid 106 and name HG12) 4.3 0.9 0.9 volume=0.293 peak=2095 ppm1=3.902 ppm2=0.822
assign ( resid 125 and name HB2) ( resid 126 and name HA) 6.7 1.3 1.3 volume=0.020 peak=1378 ppm1=2.306 ppm2=4.881
assign ( resid 11 and name HB3) ( resid 18 and name HZ3) 3.9 0.8 0.8 volume=0.505 peak=1754 ppm1=2.843 ppm2=7.241
assign ( resid 65 and name HD2) ( resid 65 and name HB3) 3.8 0.8 0.8 volume=0.568 peak=638 ppm1=3.694 ppm2=1.831
assign ( resid 3 and name HG3) ( resid 3 and name H) 4.8 1.0 1.0 volume=0.149 peak=1348 ppm1=2.410 ppm2=8.408
assign ( resid 41 and name HB3) ( resid 41 and name HD3) 4.2 0.8 0.8 volume=0.316 peak=1489 ppm1=2.002 ppm2=3.679
assign ( resid 57 and name HG2) ( resid 57 and name HB3) 3.5 0.7 0.7 volume=0.960 peak=2139 ppm1=1.104 ppm2=1.410
assign ( resid 107 and name HA) ( resid 107 and name HB3) 4.8 1.0 1.0 volume=0.155 peak=2687 ppm1=3.986 ppm2=3.480
assign ( resid 62 and name HA) ( resid 63 and name HA3) 5.0 1.0 1.0 volume=0.124 peak=1146 ppm1=4.528 ppm2=4.359
assign ( resid 35 and name HD3) ( resid 35 and name HE3) 3.9 0.8 0.8 volume=0.549 peak=2954 ppm1=1.392 ppm2=2.836
assign ( resid 122 and name HE2) ( resid 122 and name HG3) 3.6 0.7 0.7 volume=0.831 peak=2569 ppm1=3.008 ppm2=1.057
assign ( resid 42 and name HA) ( resid 42 and name HB*) 3.3 0.7 0.7 volume=1.484 peak=2353 ppm1=4.351 ppm2=1.417
assign ( resid 73 and name HA) ( resid 74 and name HB2) 4.8 1.0 1.0 volume=0.152 peak=391 ppm1=5.714 ppm2=1.979
assign ( resid 83 and name HB) ( resid 83 and name HG2*) 3.5 0.7 0.7 volume=0.971 peak=168 ppm1=1.470 ppm2=0.714
assign ( resid 24 and name HB3) ( resid 24 and name HE2) 4.1 0.8 0.8 volume=0.360 peak=2978 ppm1=1.687 ppm2=3.025
assign ( resid 90 and name HG3) ( resid 91 and name H) 4.0 0.8 0.8 volume=0.431 peak=1066 ppm1=2.074 ppm2=7.016
assign ( resid 44 and name HG1*) ( resid 45 and name H) 3.5 0.7 0.7 volume=0.986 peak=823 ppm1=0.770 ppm2=9.240
assign ( resid 109 and name HG2) ( resid 109 and name HA) 4.1 0.8 0.8 volume=0.414 peak=1819 ppm1=1.382 ppm2=4.416
assign ( resid 65 and name HB3) ( resid 66 and name H) 3.7 0.7 0.7 volume=0.716 peak=2215 ppm1=1.829 ppm2=8.081
assign ( resid 8 and name HB) ( resid 8 and name HG2*) 3.6 0.7 0.7 volume=0.785 peak=2649 ppm1=1.881 ppm2=0.874
assign ( resid 112 and name HG2*) ( resid 109 and name HG3) 3.5 0.7 0.7 volume=0.934 peak=1731 ppm1=0.878 ppm2=-0.107
assign ( resid 70 and name HG1*) ( resid 84 and name HA) 4.4 0.9 0.9 volume=0.254 peak=2641 ppm1=1.012 ppm2=5.599
assign ( resid 6 and name HG2*) ( resid 7 and name HB3) 4.5 0.9 0.9 volume=0.223 peak=1683 ppm1=1.582 ppm2=3.502
assign ( resid 24 and name HB2) ( resid 24 and name HE2) 4.2 0.8 0.8 volume=0.344 peak=1833 ppm1=1.764 ppm2=3.024
assign ( resid 70 and name HG1*) ( resid 88 and name HZ3) 3.5 0.7 0.7 volume=0.996 peak=2303 ppm1=1.015 ppm2=7.481
assign ( resid 9 and name HA) ( resid 127 and name H) 4.2 0.8 0.8 volume=0.353 peak=2387 ppm1=5.762 ppm2=9.592
assign ( resid 4 and name HA) ( resid 4 and name H) 3.2 0.6 0.6 volume=1.785 peak=892 ppm1=4.303 ppm2=8.359
assign ( resid 125 and name HG2) ( resid 7 and name HA) 4.7 0.9 0.9 volume=0.168 peak=2418 ppm1=2.157 ppm2=5.073
assign ( resid 127 and name HB2) ( resid 127 and name HD2*) 3.5 0.7 0.7 volume=1.055 peak=1868 ppm1=1.878 ppm2=0.808
assign ( resid 8 and name HD1*) ( resid 8 and name HA) 3.8 0.8 0.8 volume=0.660 peak=1972 ppm1=0.626 ppm2=5.301
assign ( resid 62 and name HB3) ( resid 62 and name HA) 3.2 0.6 0.6 volume=1.564 peak=777 ppm1=3.094 ppm2=4.530
assign ( resid 9 and name HB2) ( resid 9 and name HG2) 3.8 0.8 0.8 volume=0.606 peak=3112 ppm1=2.438 ppm2=2.668
assign ( resid 24 and name HB3) ( resid 24 and name H) 3.5 0.7 0.7 volume=1.052 peak=2427 ppm1=1.687 ppm2=7.602
assign ( resid 56 and name HB3) ( resid 56 and name HB2) 3.9 0.8 0.8 volume=0.538 peak=506 ppm1=1.566 ppm2=1.163
assign ( resid 25 and name HG1*) ( resid 21 and name H) 4.0 0.8 0.8 volume=0.482 peak=1404 ppm1=0.681 ppm2=8.447
assign ( resid 37 and name HA) ( resid 36 and name HB3) 3.9 0.8 0.8 volume=0.559 peak=619 ppm1=4.264 ppm2=1.998
assign ( resid 30 and name HB3) ( resid 31 and name H) 4.3 0.9 0.9 volume=0.283 peak=982 ppm1=2.672 ppm2=7.634
assign ( resid 9 and name HA) ( resid 8 and name HG2*) 4.1 0.8 0.8 volume=0.371 peak=1307 ppm1=5.764 ppm2=0.866
assign ( resid 24 and name HD3) ( resid 24 and name HE2) 2.9 0.6 0.6 volume=3.373 peak=3160 ppm1=1.657 ppm2=3.024
assign ( resid 128 and name HA) ( resid 128 and name HG2*) 4.0 0.8 0.8 volume=0.467 peak=1941 ppm1=5.037 ppm2=0.802
assign ( resid 20 and name HB2) ( resid 20 and name HB3) 3.9 0.8 0.8 volume=0.495 peak=1706 ppm1=1.856 ppm2=2.001
assign ( resid 106 and name HG13) ( resid 106 and name HA) 4.2 0.8 0.8 volume=0.342 peak=2698 ppm1=1.312 ppm2=3.906
assign ( resid 122 and name HA) ( resid 121 and name HA) 5.1 1.0 1.0 volume=0.102 peak=3015 ppm1=3.690 ppm2=4.430
assign ( resid 74 and name HE*) ( resid 113 and name HA) 4.0 0.8 0.8 volume=0.448 peak=2761 ppm1=1.634 ppm2=4.082
assign ( resid 98 and name HG2) ( resid 98 and name HB2) 4.5 0.9 0.9 volume=0.217 peak=1640 ppm1=-0.181 ppm2=1.433
assign ( resid 97 and name HB2) ( resid 98 and name HA) 4.8 1.0 1.0 volume=0.157 peak=3 ppm1=3.209 ppm2=3.100
assign ( resid 84 and name HB2) ( resid 85 and name H) 4.9 1.0 1.0 volume=0.125 peak=787 ppm1=3.998 ppm2=10.281
assign ( resid 90 and name HB3) ( resid 90 and name HD2) 4.0 0.8 0.8 volume=0.450 peak=1401 ppm1=1.996 ppm2=4.092
assign ( resid 118 and name HA2) ( resid 117 and name HB2) 4.7 0.9 0.9 volume=0.162 peak=2852 ppm1=3.809 ppm2=2.409
assign ( resid 36 and name HG3) ( resid 36 and name HD2) 4.3 0.9 0.9 volume=0.298 peak=1692 ppm1=2.022 ppm2=4.024
assign ( resid 109 and name HG3) ( resid 109 and name HB3) 4.3 0.9 0.9 volume=0.304 peak=2755 ppm1=-0.116 ppm2=1.335
assign ( resid 47 and name HG1*) ( resid 47 and name H) 3.7 0.7 0.7 volume=0.738 peak=2065 ppm1=0.694 ppm2=8.348
assign ( resid 73 and name HB3) ( resid 73 and name HE1) 5.4 1.1 1.1 volume=0.077 peak=338 ppm1=2.878 ppm2=10.287
assign ( resid 114 and name HE2) ( resid 114 and name HD2) 2.4 0.5 0.5 volume=9.591 peak=2059 ppm1=2.985 ppm2=1.697
assign ( resid 120 and name HB) ( resid 121 and name H) 4.5 0.9 0.9 volume=0.210 peak=2927 ppm1=1.456 ppm2=8.087
assign ( resid 119 and name HE*) ( resid 117 and name H) 4.6 0.9 0.9 volume=0.206 peak=1117 ppm1=2.072 ppm2=8.822
assign ( resid 76 and name HA) ( resid 76 and name HB) 4.8 1.0 1.0 volume=0.154 peak=825 ppm1=5.722 ppm2=2.021
assign ( resid 122 and name HG3) ( resid 122 and name HE2) 4.4 0.9 0.9 volume=0.251 peak=938 ppm1=1.053 ppm2=3.012
assign ( resid 99 and name HA) ( resid 99 and name HG2*) 3.2 0.6 0.6 volume=1.786 peak=2987 ppm1=4.487 ppm2=1.085
assign ( resid 35 and name HG3) ( resid 35 and name HB2) 5.1 1.0 1.0 volume=0.100 peak=968 ppm1=1.177 ppm2=2.129
assign ( resid 87 and name HB3) ( resid 87 and name H) 3.8 0.8 0.8 volume=0.586 peak=2786 ppm1=2.725 ppm2=9.675
assign ( resid 112 and name HA) ( resid 112 and name HG1*) 3.1 0.6 0.6 volume=1.995 peak=1899 ppm1=3.840 ppm2=0.668
assign ( resid 108 and name HA) ( resid 108 and name HG2*) 3.8 0.8 0.8 volume=0.613 peak=1996 ppm1=4.418 ppm2=0.766
assign ( resid 56 and name HD2*) ( resid 56 and name HG) 2.8 0.6 0.6 volume=3.992 peak=1673 ppm1=-0.593 ppm2=1.190
assign ( resid 70 and name HG2*) ( resid 51 and name HB2) 4.0 0.8 0.8 volume=0.467 peak=221 ppm1=0.620 ppm2=2.244
assign ( resid 106 and name HG12) ( resid 106 and name H) 4.9 1.0 1.0 volume=0.126 peak=1898 ppm1=0.818 ppm2=8.582
assign ( resid 9 and name HA) ( resid 9 and name HB2) 4.1 0.8 0.8 volume=0.380 peak=2135 ppm1=5.766 ppm2=2.439
assign ( resid 3 and name HB3) ( resid 3 and name HG3) 3.7 0.7 0.7 volume=0.684 peak=558 ppm1=1.740 ppm2=2.414
assign ( resid 120 and name HA) ( resid 119 and name HB2) 4.8 1.0 1.0 volume=0.152 peak=2502 ppm1=3.695 ppm2=1.974
assign ( resid 63 and name HA2) ( resid 64 and name HB) 3.3 0.7 0.7 volume=1.492 peak=1805 ppm1=3.602 ppm2=4.334
assign ( resid 41 and name HG2) ( resid 41 and name HD3) 4.3 0.9 0.9 volume=0.275 peak=3180 ppm1=1.722 ppm2=3.679
assign ( resid 95 and name HA) ( resid 96 and name HA) 4.6 0.9 0.9 volume=0.191 peak=895 ppm1=5.156 ppm2=3.885
assign ( resid 76 and name HD1*) ( resid 82 and name HA2) 4.0 0.8 0.8 volume=0.426 peak=2 ppm1=0.176 ppm2=3.675
assign ( resid 114 and name HB3) ( resid 114 and name HD2) 2.7 0.5 0.5 volume=5.083 peak=209 ppm1=1.764 ppm2=1.697
assign ( resid 90 and name HD2) ( resid 90 and name HG3) 3.9 0.8 0.8 volume=0.535 peak=2182 ppm1=4.089 ppm2=2.071
assign ( resid 69 and name HG2) ( resid 69 and name HB3) 2.6 0.5 0.5 volume=6.385 peak=1470 ppm1=2.177 ppm2=1.896
assign ( resid 119 and name HE*) ( resid 119 and name HB3) 1.8 0.0 0.4 volume=61.848 peak=3080 ppm1=2.070 ppm2=2.122
assign ( resid 112 and name HB) ( resid 113 and name H) 4.1 0.8 0.8 volume=0.395 peak=734 ppm1=1.740 ppm2=8.563
assign ( resid 73 and name HB2) ( resid 73 and name HB3) 4.4 0.9 0.9 volume=0.242 peak=2352 ppm1=3.057 ppm2=2.883
assign ( resid 96 and name HA) ( resid 96 and name H) 3.9 0.8 0.8 volume=0.535 peak=3127 ppm1=3.872 ppm2=7.946
assign ( resid 91 and name HA) ( resid 91 and name HG2) 4.5 0.9 0.9 volume=0.227 peak=1188 ppm1=4.547 ppm2=2.127
assign ( resid 56 and name HD2*) ( resid 84 and name HD2) 4.5 0.9 0.9 volume=0.235 peak=97 ppm1=-0.594 ppm2=6.771
assign ( resid 24 and name HD2) ( resid 24 and name HE3) 2.8 0.6 0.6 volume=3.498 peak=1966 ppm1=1.700 ppm2=3.015
assign ( resid 23 and name HA2) ( resid 24 and name H) 4.1 0.8 0.8 volume=0.416 peak=1081 ppm1=3.759 ppm2=7.597
assign ( resid 6 and name HG2*) ( resid 6 and name HA) 3.1 0.6 0.6 volume=2.118 peak=1468 ppm1=1.578 ppm2=5.216
assign ( resid 69 and name HG3) ( resid 69 and name HA) 3.6 0.7 0.7 volume=0.837 peak=3021 ppm1=1.902 ppm2=4.919
assign ( resid 116 and name HG) ( resid 116 and name H) 4.6 0.9 0.9 volume=0.197 peak=2866 ppm1=1.137 ppm2=8.644
assign ( resid 121 and name HG3) ( resid 121 and name HA) 3.4 0.7 0.7 volume=1.258 peak=2437 ppm1=2.387 ppm2=4.431
assign ( resid 21 and name HG3) ( resid 21 and name HD3) 3.0 0.6 0.6 volume=2.611 peak=1040 ppm1=1.204 ppm2=1.606
assign ( resid 43 and name HA3) ( resid 42 and name HB*) 4.9 1.0 1.0 volume=0.132 peak=1427 ppm1=4.029 ppm2=1.424
assign ( resid 44 and name HA) ( resid 44 and name HG2*) 3.6 0.7 0.7 volume=0.822 peak=375 ppm1=4.407 ppm2=0.879
assign ( resid 47 and name HA) ( resid 47 and name HG1*) 3.5 0.7 0.7 volume=1.025 peak=2103 ppm1=3.972 ppm2=0.698
assign ( resid 56 and name HD2*) ( resid 68 and name H) 4.7 0.9 0.9 volume=0.165 peak=2407 ppm1=-0.591 ppm2=9.315
assign ( resid 62 and name HB2) ( resid 63 and name H) 4.9 1.0 1.0 volume=0.136 peak=1475 ppm1=2.618 ppm2=8.156
assign ( resid 41 and name HD2) ( resid 41 and name HG2) 4.3 0.9 0.9 volume=0.281 peak=1729 ppm1=3.432 ppm2=1.731
assign ( resid 98 and name HB2) ( resid 98 and name HE2) 4.7 0.9 0.9 volume=0.171 peak=2519 ppm1=1.429 ppm2=2.735
assign ( resid 98 and name HG3) ( resid 98 and name HB2) 4.8 1.0 1.0 volume=0.157 peak=1418 ppm1=-0.332 ppm2=1.433
assign ( resid 26 and name HB*) ( resid 19 and name H) 4.2 0.8 0.8 volume=0.331 peak=134 ppm1=1.259 ppm2=9.128
assign ( resid 10 and name HA) ( resid 11 and name H) 4.8 1.0 1.0 volume=0.159 peak=2005 ppm1=4.527 ppm2=8.630
assign ( resid 27 and name HG) ( resid 27 and name HD1*) 3.1 0.6 0.6 volume=2.057 peak=687 ppm1=1.530 ppm2=0.646
assign ( resid 113 and name HE*) ( resid 113 and name H) 4.2 0.8 0.8 volume=0.358 peak=1031 ppm1=2.077 ppm2=8.555
assign ( resid 90 and name HA) ( resid 91 and name H) 4.6 0.9 0.9 volume=0.187 peak=410 ppm1=4.485 ppm2=7.021
assign ( resid 39 and name HG2) ( resid 39 and name HD2) 3.5 0.7 0.7 volume=1.024 peak=299 ppm1=1.957 ppm2=3.412
assign ( resid 114 and name HD3) ( resid 114 and name HG2) 3.2 0.6 0.6 volume=1.653 peak=2146 ppm1=1.711 ppm2=1.141
assign ( resid 9 and name HA) ( resid 8 and name HB) 4.1 0.8 0.8 volume=0.366 peak=1528 ppm1=5.764 ppm2=1.885
assign ( resid 62 and name HA) ( resid 61 and name HA) 4.8 1.0 1.0 volume=0.141 peak=2089 ppm1=4.528 ppm2=4.396
assign ( resid 57 and name HD2) ( resid 57 and name HB2) 3.0 0.6 0.6 volume=2.764 peak=2863 ppm1=1.497 ppm2=1.600
assign ( resid 113 and name HA) ( resid 114 and name H) 4.5 0.9 0.9 volume=0.228 peak=2467 ppm1=4.074 ppm2=7.499
assign ( resid 57 and name HB2) ( resid 58 and name H) 4.3 0.9 0.9 volume=0.300 peak=2490 ppm1=1.596 ppm2=6.493
assign ( resid 17 and name HG3) ( resid 17 and name HA) 4.3 0.9 0.9 volume=0.298 peak=906 ppm1=1.771 ppm2=5.635
assign ( resid 60 and name HB3) ( resid 60 and name HD21) 4.0 0.8 0.8 volume=0.421 peak=3026 ppm1=3.072 ppm2=7.544
assign ( resid 125 and name HB2) ( resid 125 and name HG2) 4.1 0.8 0.8 volume=0.363 peak=3087 ppm1=2.306 ppm2=2.168
assign ( resid 25 and name HA) ( resid 25 and name HG2*) 3.4 0.7 0.7 volume=1.093 peak=1381 ppm1=3.256 ppm2=0.806
assign ( resid 29 and name HG2*) ( resid 17 and name HE*) 2.7 0.5 0.5 volume=4.890 peak=2821 ppm1=0.552 ppm2=1.478
assign ( resid 25 and name HG1*) ( resid 19 and name HD*) 4.4 0.9 0.9 volume=0.253 peak=321 ppm1=0.679 ppm2=6.867
assign ( resid 100 and name HG2) ( resid 101 and name H) 4.1 0.8 0.8 volume=0.389 peak=3141 ppm1=1.651 ppm2=7.201
assign ( resid 10 and name HG1*) ( resid 10 and name H) 3.8 0.8 0.8 volume=0.587 peak=1772 ppm1=0.603 ppm2=9.798
assign ( resid 53 and name HA) ( resid 53 and name H) 3.7 0.7 0.7 volume=0.711 peak=2017 ppm1=4.409 ppm2=8.344
assign ( resid 36 and name HD3) ( resid 35 and name HB2) 4.6 0.9 0.9 volume=0.205 peak=913 ppm1=3.723 ppm2=2.129
assign ( resid 120 and name HA) ( resid 121 and name HB2) 4.4 0.9 0.9 volume=0.242 peak=1539 ppm1=3.695 ppm2=1.730
assign ( resid 24 and name HE2) ( resid 24 and name HG2) 2.7 0.5 0.5 volume=5.177 peak=2804 ppm1=3.021 ppm2=1.401
assign ( resid 44 and name HA) ( resid 127 and name HA) 4.2 0.8 0.8 volume=0.345 peak=1254 ppm1=4.403 ppm2=5.028
assign ( resid 76 and name HD1*) ( resid 77 and name H) 4.1 0.8 0.8 volume=0.360 peak=2506 ppm1=0.173 ppm2=7.562
assign ( resid 23 and name HA2) ( resid 22 and name H) 4.3 0.9 0.9 volume=0.282 peak=564 ppm1=3.759 ppm2=8.656
assign ( resid 74 and name HG2) ( resid 74 and name HE*) 4.0 0.8 0.8 volume=0.444 peak=2026 ppm1=2.442 ppm2=1.637
assign ( resid 5 and name HB3) ( resid 5 and name H) 3.5 0.7 0.7 volume=1.036 peak=984 ppm1=2.673 ppm2=8.421
assign ( resid 87 and name HA) ( resid 86 and name H) 4.7 0.9 0.9 volume=0.177 peak=304 ppm1=4.189 ppm2=8.050
assign ( resid 56 and name HA) ( resid 56 and name HB3) 4.2 0.8 0.8 volume=0.356 peak=799 ppm1=4.044 ppm2=1.569
assign ( resid 119 and name HG2) ( resid 119 and name HE*) 3.2 0.6 0.6 volume=1.638 peak=902 ppm1=2.698 ppm2=2.081
assign ( resid 28 and name HG2) ( resid 28 and name HB2) 3.7 0.7 0.7 volume=0.699 peak=1436 ppm1=1.913 ppm2=1.486
assign ( resid 17 and name HG2) ( resid 17 and name HB2) 3.4 0.7 0.7 volume=1.197 peak=1022 ppm1=2.257 ppm2=1.481
assign ( resid 37 and name HG2*) ( resid 37 and name H) 3.1 0.6 0.6 volume=1.918 peak=1913 ppm1=1.285 ppm2=7.290
assign ( resid 57 and name HE2) ( resid 57 and name H) 4.4 0.9 0.9 volume=0.269 peak=1480 ppm1=2.763 ppm2=7.970
assign ( resid 114 and name HD2) ( resid 114 and name HE2) 2.9 0.6 0.6 volume=3.246 peak=576 ppm1=1.693 ppm2=2.989
assign ( resid 20 and name HA) ( resid 20 and name HB3) 3.6 0.7 0.7 volume=0.779 peak=2283 ppm1=4.449 ppm2=2.009
assign ( resid 41 and name HG2) ( resid 42 and name H) 5.2 1.0 1.0 volume=0.095 peak=1581 ppm1=1.722 ppm2=7.592
assign ( resid 4 and name HB3) ( resid 4 and name HG2) 2.9 0.6 0.6 volume=3.424 peak=2963 ppm1=1.857 ppm2=2.235
assign ( resid 96 and name HB3) ( resid 96 and name HD2*) 4.0 0.8 0.8 volume=0.437 peak=116 ppm1=2.097 ppm2=0.735
assign ( resid 65 and name HB3) ( resid 65 and name HD2) 3.8 0.8 0.8 volume=0.639 peak=2386 ppm1=1.827 ppm2=3.698
assign ( resid 83 and name HB) ( resid 83 and name HG13) 3.7 0.7 0.7 volume=0.681 peak=2246 ppm1=1.471 ppm2=1.496
assign ( resid 50 and name HB2) ( resid 50 and name HD2) 3.8 0.8 0.8 volume=0.575 peak=1068 ppm1=1.605 ppm2=1.795
assign ( resid 113 and name HA) ( resid 113 and name HG3) 4.1 0.8 0.8 volume=0.395 peak=2457 ppm1=4.076 ppm2=3.541
assign ( resid 106 and name HG2*) ( resid 106 and name HB) 3.2 0.6 0.6 volume=1.643 peak=1965 ppm1=0.630 ppm2=1.684
assign ( resid 7 and name HB3) ( resid 7 and name HB2) 4.4 0.9 0.9 volume=0.244 peak=1854 ppm1=3.511 ppm2=2.724
assign ( resid 24 and name HE2) ( resid 24 and name HG3) 2.6 0.5 0.5 volume=5.643 peak=2637 ppm1=3.021 ppm2=1.391
assign ( resid 59 and name HG2*) ( resid 63 and name HA2) 2.8 0.6 0.6 volume=3.461 peak=28 ppm1=1.127 ppm2=3.611
assign ( resid 37 and name HG2*) ( resid 37 and name HB) 2.5 0.5 0.5 volume=6.838 peak=2442 ppm1=1.285 ppm2=4.427
assign ( resid 119 and name HE*) ( resid 20 and name H) 4.6 0.9 0.9 volume=0.200 peak=1665 ppm1=2.071 ppm2=8.970
assign ( resid 98 and name HG3) ( resid 98 and name HD2) 4.5 0.9 0.9 volume=0.231 peak=1062 ppm1=-0.332 ppm2=1.246
assign ( resid 76 and name HG2*) ( resid 76 and name HD1*) 3.1 0.6 0.6 volume=2.266 peak=1278 ppm1=0.656 ppm2=0.175
assign ( resid 70 and name HG1*) ( resid 69 and name HA) 4.0 0.8 0.8 volume=0.433 peak=1768 ppm1=1.011 ppm2=4.922
assign ( resid 24 and name HG2) ( resid 24 and name HD2) 2.4 0.5 0.5 volume=10.175 peak=2945 ppm1=1.397 ppm2=1.704
assign ( resid 22 and name HB3) ( resid 23 and name H) 4.6 0.9 0.9 volume=0.185 peak=29 ppm1=2.890 ppm2=8.839
assign ( resid 68 and name HB3) ( resid 68 and name HA) 3.8 0.8 0.8 volume=0.660 peak=866 ppm1=3.387 ppm2=4.872
assign ( resid 41 and name HA) ( resid 42 and name HB*) 3.5 0.7 0.7 volume=1.040 peak=1998 ppm1=4.241 ppm2=1.417
assign ( resid 2 and name HB3) ( resid 3 and name HB2) 4.7 0.9 0.9 volume=0.181 peak=3027 ppm1=3.117 ppm2=1.929
assign ( resid 51 and name HB3) ( resid 51 and name HG2) 2.9 0.6 0.6 volume=2.914 peak=610 ppm1=2.051 ppm2=2.292
assign ( resid 2 and name HB2) ( resid 2 and name HA) 3.2 0.6 0.6 volume=1.572 peak=341 ppm1=3.043 ppm2=4.628
assign ( resid 55 and name HB) ( resid 54 and name HB*) 4.2 0.8 0.8 volume=0.351 peak=235 ppm1=3.745 ppm2=0.948
assign ( resid 98 and name HA) ( resid 98 and name HG3) 4.3 0.9 0.9 volume=0.282 peak=1823 ppm1=3.096 ppm2=-0.328
assign ( resid 21 and name HB2) ( resid 21 and name HD2) 4.1 0.8 0.8 volume=0.387 peak=1050 ppm1=1.105 ppm2=1.755
assign ( resid 65 and name HB2) ( resid 65 and name HG2) 3.1 0.6 0.6 volume=2.267 peak=1399 ppm1=2.232 ppm2=2.026
assign ( resid 9 and name HG3) ( resid 10 and name H) 4.4 0.9 0.9 volume=0.270 peak=1793 ppm1=2.542 ppm2=9.800
assign ( resid 50 and name HD3) ( resid 50 and name HB2) 4.2 0.8 0.8 volume=0.354 peak=1485 ppm1=1.834 ppm2=1.609
assign ( resid 86 and name HA) ( resid 86 and name HB3) 4.2 0.8 0.8 volume=0.338 peak=2075 ppm1=3.622 ppm2=2.429
assign ( resid 58 and name HA3) ( resid 58 and name H) 4.2 0.8 0.8 volume=0.325 peak=2667 ppm1=3.787 ppm2=6.493
assign ( resid 19 and name HB3) ( resid 19 and name H) 4.7 0.9 0.9 volume=0.164 peak=35 ppm1=2.563 ppm2=9.134
assign ( resid 125 and name HG2) ( resid 125 and name HB3) 3.6 0.7 0.7 volume=0.854 peak=1518 ppm1=2.164 ppm2=1.909
assign ( resid 56 and name HD2*) ( resid 56 and name HB2) 2.8 0.6 0.6 volume=3.646 peak=1207 ppm1=-0.593 ppm2=1.166
assign ( resid 120 and name HG1*) ( resid 74 and name HE*) 2.9 0.6 0.6 volume=2.887 peak=2559 ppm1=0.199 ppm2=1.629
assign ( resid 98 and name HG3) ( resid 98 and name HA) 5.4 1.1 1.1 volume=0.077 peak=2428 ppm1=-0.332 ppm2=3.100
assign ( resid 90 and name HD2) ( resid 90 and name HB3) 4.0 0.8 0.8 volume=0.426 peak=2136 ppm1=4.088 ppm2=2.000
assign ( resid 109 and name HD2) ( resid 109 and name HB3) 4.8 1.0 1.0 volume=0.148 peak=372 ppm1=3.052 ppm2=1.335
assign ( resid 115 and name HB2) ( resid 115 and name HG2) 2.9 0.6 0.6 volume=3.051 peak=803 ppm1=1.998 ppm2=2.199
assign ( resid 25 and name HG1*) ( resid 18 and name HD1) 3.1 0.6 0.6 volume=2.092 peak=2847 ppm1=0.680 ppm2=6.967
assign ( resid 53 and name HB2) ( resid 53 and name H) 3.8 0.8 0.8 volume=0.599 peak=1634 ppm1=2.600 ppm2=8.347
assign ( resid 35 and name HB2) ( resid 35 and name HE3) 5.4 1.1 1.1 volume=0.074 peak=662 ppm1=2.125 ppm2=2.836
assign ( resid 56 and name HA) ( resid 56 and name HG) 3.6 0.7 0.7 volume=0.849 peak=2505 ppm1=4.044 ppm2=1.189
assign ( resid 122 and name HB2) ( resid 122 and name HE2) 4.3 0.9 0.9 volume=0.277 peak=316 ppm1=1.687 ppm2=3.012
assign ( resid 125 and name HG3) ( resid 124 and name HG2*) 4.3 0.9 0.9 volume=0.294 peak=1281 ppm1=2.354 ppm2=1.572
assign ( resid 47 and name HB) ( resid 48 and name H) 4.4 0.9 0.9 volume=0.239 peak=50 ppm1=1.958 ppm2=8.351
assign ( resid 39 and name HD2) ( resid 38 and name H) 4.3 0.9 0.9 volume=0.304 peak=1397 ppm1=3.408 ppm2=7.704
assign ( resid 41 and name HB3) ( resid 45 and name HE*) 4.2 0.8 0.8 volume=0.353 peak=1385 ppm1=2.000 ppm2=6.856
assign ( resid 67 and name HB2) ( resid 67 and name HA) 3.6 0.7 0.7 volume=0.829 peak=1694 ppm1=1.691 ppm2=4.974
assign ( resid 100 and name HB2) ( resid 100 and name HB3) 3.1 0.6 0.6 volume=2.000 peak=2047 ppm1=2.283 ppm2=1.482
assign ( resid 87 and name HA) ( resid 87 and name HB2) 3.3 0.7 0.7 volume=1.487 peak=2936 ppm1=4.189 ppm2=2.958
assign ( resid 115 and name HB3) ( resid 116 and name HD2*) 4.4 0.9 0.9 volume=0.249 peak=2543 ppm1=2.013 ppm2=0.378
assign ( resid 91 and name HG2) ( resid 92 and name HA) 4.0 0.8 0.8 volume=0.444 peak=139 ppm1=2.123 ppm2=4.442
assign ( resid 106 and name HD1*) ( resid 106 and name HB) 3.1 0.6 0.6 volume=1.893 peak=1340 ppm1=0.598 ppm2=1.683
assign ( resid 99 and name HA) ( resid 99 and name HB) 3.5 0.7 0.7 volume=0.949 peak=1126 ppm1=4.488 ppm2=4.154
assign ( resid 18 and name HB3) ( resid 17 and name HA) 5.0 1.0 1.0 volume=0.112 peak=422 ppm1=3.275 ppm2=5.633
assign ( resid 127 and name HB2) ( resid 127 and name HA) 4.1 0.8 0.8 volume=0.409 peak=218 ppm1=1.878 ppm2=5.025
assign ( resid 52 and name HB3) ( resid 52 and name HG2) 3.0 0.6 0.6 volume=2.469 peak=3023 ppm1=1.822 ppm2=2.066
assign ( resid 15 and name HG3) ( resid 15 and name HB3) 5.1 1.0 1.0 volume=0.108 peak=618 ppm1=2.908 ppm2=2.530
assign ( resid 116 and name HA) ( resid 117 and name HA) 4.9 1.0 1.0 volume=0.138 peak=1907 ppm1=3.550 ppm2=3.720
assign ( resid 15 and name HG2) ( resid 15 and name HE21) 6.6 1.3 1.3 volume=0.023 peak=2091 ppm1=2.089 ppm2=7.375
assign ( resid 56 and name HD1*) ( resid 56 and name HA) 3.6 0.7 0.7 volume=0.787 peak=747 ppm1=-0.082 ppm2=4.042
assign ( resid 52 and name HB3) ( resid 52 and name H) 3.9 0.8 0.8 volume=0.540 peak=2513 ppm1=1.822 ppm2=8.698
assign ( resid 100 and name HG3) ( resid 101 and name H) 4.2 0.8 0.8 volume=0.357 peak=1599 ppm1=1.668 ppm2=7.201
assign ( resid 98 and name HD3) ( resid 98 and name HB2) 3.3 0.7 0.7 volume=1.532 peak=1109 ppm1=1.257 ppm2=1.433
assign ( resid 75 and name HD3) ( resid 74 and name HA) 5.3 1.1 1.1 volume=0.081 peak=392 ppm1=1.447 ppm2=4.993
assign ( resid 14 and name HB2) ( resid 14 and name HD21) 3.9 0.8 0.8 volume=0.528 peak=2097 ppm1=2.855 ppm2=7.070
assign ( resid 58 and name HA3) ( resid 57 and name HB3) 5.5 1.1 1.1 volume=0.067 peak=85 ppm1=3.787 ppm2=1.410
assign ( resid 115 and name HB2) ( resid 115 and name HA) 3.1 0.6 0.6 volume=2.253 peak=1556 ppm1=1.998 ppm2=3.958
assign ( resid 114 and name HA) ( resid 114 and name HB3) 3.3 0.7 0.7 volume=1.360 peak=2921 ppm1=2.845 ppm2=1.770
assign ( resid 28 and name HB2) ( resid 27 and name HA) 5.2 1.0 1.0 volume=0.088 peak=2395 ppm1=1.493 ppm2=4.493
assign ( resid 114 and name HG2) ( resid 114 and name HB2) 3.5 0.7 0.7 volume=1.024 peak=1119 ppm1=1.137 ppm2=1.802
assign ( resid 122 and name HG3) ( resid 122 and name HE3) 4.6 0.9 0.9 volume=0.192 peak=1770 ppm1=1.053 ppm2=3.098
assign ( resid 57 and name HD3) ( resid 57 and name HE2) 2.9 0.6 0.6 volume=3.231 peak=661 ppm1=1.483 ppm2=2.768
assign ( resid 74 and name HE*) ( resid 74 and name HB2) 2.9 0.6 0.6 volume=3.256 peak=2645 ppm1=1.634 ppm2=1.980
assign ( resid 24 and name HG2) ( resid 24 and name HB3) 2.4 0.5 0.5 volume=10.175 peak=1930 ppm1=1.397 ppm2=1.691
assign ( resid 44 and name HG1*) ( resid 44 and name HA) 2.9 0.6 0.6 volume=3.080 peak=1453 ppm1=0.770 ppm2=4.422
assign ( resid 14 and name HB2) ( resid 14 and name HA) 3.4 0.7 0.7 volume=1.101 peak=1276 ppm1=2.855 ppm2=4.819
assign ( resid 18 and name HB2) ( resid 19 and name H) 4.7 0.9 0.9 volume=0.168 peak=3179 ppm1=2.666 ppm2=9.134
assign ( resid 110 and name HB3) ( resid 110 and name HD2) 4.4 0.9 0.9 volume=0.241 peak=2659 ppm1=2.118 ppm2=3.824
assign ( resid 54 and name HA) ( resid 55 and name H) 3.6 0.7 0.7 volume=0.908 peak=720 ppm1=4.498 ppm2=8.440
assign ( resid 128 and name HB) ( resid 127 and name HA) 4.5 0.9 0.9 volume=0.218 peak=1969 ppm1=2.429 ppm2=5.025
assign ( resid 91 and name HG2) ( resid 92 and name H) 3.7 0.7 0.7 volume=0.662 peak=856 ppm1=2.123 ppm2=8.629
assign ( resid 100 and name HG2) ( resid 100 and name H) 3.8 0.8 0.8 volume=0.655 peak=1 ppm1=1.651 ppm2=8.902
assign ( resid 23 and name HA2) ( resid 24 and name HB3) 5.0 1.0 1.0 volume=0.111 peak=1661 ppm1=3.759 ppm2=1.691
assign ( resid 39 and name HB2) ( resid 39 and name HA) 3.8 0.8 0.8 volume=0.643 peak=514 ppm1=2.005 ppm2=4.168
assign ( resid 11 and name HB2) ( resid 12 and name H) 4.6 0.9 0.9 volume=0.194 peak=3002 ppm1=3.120 ppm2=9.555
assign ( resid 31 and name HB) ( resid 31 and name HD1*) 3.8 0.8 0.8 volume=0.575 peak=538 ppm1=1.854 ppm2=0.439
assign ( resid 126 and name HG2*) ( resid 126 and name HB) 2.9 0.6 0.6 volume=3.291 peak=1367 ppm1=0.670 ppm2=1.811
assign ( resid 113 and name HE*) ( resid 117 and name H) 3.6 0.7 0.7 volume=0.838 peak=2472 ppm1=2.075 ppm2=8.824
assign ( resid 71 and name HB3) ( resid 70 and name HA) 4.7 0.9 0.9 volume=0.173 peak=2174 ppm1=2.392 ppm2=4.747
assign ( resid 81 and name HG2*) ( resid 82 and name H) 3.4 0.7 0.7 volume=1.135 peak=2066 ppm1=0.585 ppm2=6.941
assign ( resid 113 and name HB3) ( resid 113 and name HG3) 6.1 1.2 1.2 volume=0.035 peak=765 ppm1=1.384 ppm2=3.541
assign ( resid 11 and name HB3) ( resid 12 and name H) 4.9 1.0 1.0 volume=0.140 peak=572 ppm1=2.843 ppm2=9.554
assign ( resid 21 and name HE2) ( resid 21 and name HB3) 3.5 0.7 0.7 volume=1.037 peak=1285 ppm1=3.023 ppm2=1.524
assign ( resid 15 and name HA) ( resid 15 and name HG3) 4.8 1.0 1.0 volume=0.149 peak=1234 ppm1=3.372 ppm2=2.912
assign ( resid 106 and name HA) ( resid 106 and name HG13) 4.2 0.8 0.8 volume=0.347 peak=393 ppm1=3.902 ppm2=1.316
assign ( resid 116 and name HB2) ( resid 116 and name H) 4.2 0.8 0.8 volume=0.319 peak=3135 ppm1=1.769 ppm2=8.638
assign ( resid 12 and name HB3) ( resid 12 and name H) 4.2 0.8 0.8 volume=0.318 peak=1077 ppm1=0.937 ppm2=9.545
assign ( resid 11 and name HA) ( resid 11 and name HB2) 4.4 0.9 0.9 volume=0.252 peak=2549 ppm1=4.270 ppm2=3.134
assign ( resid 8 and name HG12) ( resid 8 and name HD1*) 3.7 0.7 0.7 volume=0.728 peak=2310 ppm1=0.911 ppm2=0.624
assign ( resid 127 and name HD2*) ( resid 127 and name HB3) 3.0 0.6 0.6 volume=2.695 peak=2856 ppm1=0.796 ppm2=1.842
assign ( resid 121 and name HA) ( resid 121 and name HB2) 3.6 0.7 0.7 volume=0.876 peak=2563 ppm1=4.426 ppm2=1.730
assign ( resid 126 and name HB) ( resid 127 and name H) 5.4 1.1 1.1 volume=0.073 peak=2829 ppm1=1.807 ppm2=9.594
assign ( resid 116 and name HD1*) ( resid 116 and name HG) 2.9 0.6 0.6 volume=3.213 peak=993 ppm1=0.603 ppm2=1.141
assign ( resid 21 and name HG3) ( resid 22 and name H) 4.0 0.8 0.8 volume=0.417 peak=105 ppm1=1.205 ppm2=8.646
assign ( resid 66 and name HB3) ( resid 67 and name H) 4.0 0.8 0.8 volume=0.483 peak=708 ppm1=2.874 ppm2=8.226
assign ( resid 32 and name HG1*) ( resid 33 and name H) 3.2 0.6 0.6 volume=1.827 peak=1216 ppm1=1.117 ppm2=8.613
assign ( resid 119 and name HG3) ( resid 119 and name H) 3.5 0.7 0.7 volume=0.921 peak=496 ppm1=2.558 ppm2=7.351
assign ( resid 11 and name HB2) ( resid 18 and name HZ3) 3.8 0.8 0.8 volume=0.625 peak=1438 ppm1=3.110 ppm2=7.235
assign ( resid 90 and name HG2) ( resid 90 and name HD2) 3.8 0.8 0.8 volume=0.606 peak=2876 ppm1=1.953 ppm2=4.092
assign ( resid 17 and name HB2) ( resid 17 and name H) 4.6 0.9 0.9 volume=0.201 peak=1334 ppm1=1.477 ppm2=8.303
assign ( resid 114 and name HG2) ( resid 114 and name H) 4.5 0.9 0.9 volume=0.216 peak=3094 ppm1=1.137 ppm2=7.497
assign ( resid 53 and name HB3) ( resid 54 and name H) 3.9 0.8 0.8 volume=0.524 peak=2179 ppm1=2.768 ppm2=7.099
assign ( resid 41 and name HB2) ( resid 42 and name H) 4.1 0.8 0.8 volume=0.373 peak=1976 ppm1=1.844 ppm2=7.580
assign ( resid 71 and name HB2) ( resid 71 and name HA) 3.6 0.7 0.7 volume=0.833 peak=543 ppm1=1.735 ppm2=4.313
assign ( resid 90 and name HB3) ( resid 91 and name H) 4.2 0.8 0.8 volume=0.316 peak=2836 ppm1=1.996 ppm2=7.021
assign ( resid 6 and name HG2*) ( resid 119 and name HA) 3.6 0.7 0.7 volume=0.842 peak=2043 ppm1=1.582 ppm2=4.458
assign ( resid 57 and name HG2) ( resid 57 and name HA) 3.9 0.8 0.8 volume=0.553 peak=758 ppm1=1.104 ppm2=4.646
assign ( resid 57 and name HD3) ( resid 57 and name HE3) 2.9 0.6 0.6 volume=3.231 peak=2902 ppm1=1.483 ppm2=2.773
assign ( resid 59 and name HB) ( resid 59 and name HG2*) 2.7 0.5 0.5 volume=5.107 peak=907 ppm1=3.855 ppm2=1.126
assign ( resid 73 and name HA) ( resid 73 and name HB3) 4.3 0.9 0.9 volume=0.276 peak=870 ppm1=5.706 ppm2=2.875
assign ( resid 113 and name HB2) ( resid 113 and name H) 4.7 0.9 0.9 volume=0.174 peak=406 ppm1=2.168 ppm2=8.563
assign ( resid 14 and name HB3) ( resid 14 and name HD21) 4.2 0.8 0.8 volume=0.319 peak=1205 ppm1=2.264 ppm2=7.070
assign ( resid 15 and name HA) ( resid 14 and name HB3) 4.8 1.0 1.0 volume=0.150 peak=1260 ppm1=3.372 ppm2=2.268
assign ( resid 51 and name HG3) ( resid 51 and name HB3) 2.5 0.5 0.5 volume=6.768 peak=2116 ppm1=2.267 ppm2=2.055
assign ( resid 69 and name HB2) ( resid 69 and name HG2) 2.8 0.6 0.6 volume=3.552 peak=156 ppm1=2.228 ppm2=2.181
assign ( resid 70 and name HG1*) ( resid 56 and name HD1*) 3.1 0.6 0.6 volume=1.963 peak=539 ppm1=1.016 ppm2=-0.081
assign ( resid 10 and name HG1*) ( resid 10 and name HB) 3.2 0.6 0.6 volume=1.747 peak=2598 ppm1=0.604 ppm2=2.149
assign ( resid 39 and name HB3) ( resid 39 and name HG3) 2.6 0.5 0.5 volume=6.644 peak=150 ppm1=1.805 ppm2=1.819
assign ( resid 47 and name HG2*) ( resid 47 and name HA) 3.4 0.7 0.7 volume=1.158 peak=1057 ppm1=0.745 ppm2=3.976
assign ( resid 62 and name HA) ( resid 62 and name H) 4.2 0.8 0.8 volume=0.342 peak=669 ppm1=4.529 ppm2=7.736
assign ( resid 39 and name HA) ( resid 39 and name HB3) 3.5 0.7 0.7 volume=1.032 peak=1038 ppm1=4.156 ppm2=1.809
assign ( resid 35 and name HG3) ( resid 35 and name HD2) 3.6 0.7 0.7 volume=0.860 peak=3188 ppm1=1.177 ppm2=1.602
assign ( resid 106 and name HA) ( resid 107 and name HA) 4.3 0.9 0.9 volume=0.303 peak=3083 ppm1=3.902 ppm2=3.990
assign ( resid 58 and name HA2) ( resid 59 and name H) 3.8 0.8 0.8 volume=0.577 peak=2565 ppm1=3.295 ppm2=8.662
assign ( resid 113 and name HE*) ( resid 84 and name HB2) 3.6 0.7 0.7 volume=0.856 peak=3000 ppm1=2.075 ppm2=3.994
assign ( resid 15 and name HA) ( resid 16 and name HB3) 4.6 0.9 0.9 volume=0.190 peak=1904 ppm1=3.372 ppm2=2.490
assign ( resid 9 and name HG2) ( resid 10 and name H) 4.3 0.9 0.9 volume=0.299 peak=1565 ppm1=2.664 ppm2=9.800
assign ( resid 3 and name HA) ( resid 3 and name HG2) 3.5 0.7 0.7 volume=0.924 peak=757 ppm1=4.348 ppm2=2.335
assign ( resid 41 and name HB3) ( resid 40 and name HA) 3.6 0.7 0.7 volume=0.906 peak=3166 ppm1=2.002 ppm2=4.385
assign ( resid 87 and name HA) ( resid 88 and name H) 4.4 0.9 0.9 volume=0.260 peak=277 ppm1=4.189 ppm2=7.005
assign ( resid 111 and name HA) ( resid 112 and name HA) 2.5 0.5 0.5 volume=7.345 peak=349 ppm1=3.888 ppm2=3.844
assign ( resid 22 and name HB2) ( resid 22 and name H) 4.3 0.9 0.9 volume=0.283 peak=1512 ppm1=2.673 ppm2=8.648
assign ( resid 98 and name HG3) ( resid 98 and name HE3) 4.6 0.9 0.9 volume=0.192 peak=568 ppm1=-0.332 ppm2=2.748
assign ( resid 118 and name HA2) ( resid 117 and name H) 4.6 0.9 0.9 volume=0.202 peak=3014 ppm1=3.809 ppm2=8.826
assign ( resid 122 and name HE3) ( resid 122 and name HB2) 3.6 0.7 0.7 volume=0.826 peak=1927 ppm1=3.094 ppm2=1.691
assign ( resid 25 and name HG2*) ( resid 18 and name HD1) 3.0 0.6 0.6 volume=2.365 peak=2976 ppm1=0.804 ppm2=6.967
assign ( resid 21 and name HE2) ( resid 21 and name HD3) 2.8 0.6 0.6 volume=4.190 peak=432 ppm1=3.023 ppm2=1.606
assign ( resid 29 and name HG2*) ( resid 30 and name H) 3.6 0.7 0.7 volume=0.885 peak=1651 ppm1=0.551 ppm2=8.377
assign ( resid 76 and name HG2*) ( resid 81 and name HA) 4.0 0.8 0.8 volume=0.472 peak=2190 ppm1=0.656 ppm2=3.724
assign ( resid 56 and name HA) ( resid 56 and name HB2) 3.6 0.7 0.7 volume=0.865 peak=1609 ppm1=4.044 ppm2=1.166
assign ( resid 57 and name HB3) ( resid 57 and name HE3) 4.6 0.9 0.9 volume=0.184 peak=665 ppm1=1.406 ppm2=2.773
assign ( resid 57 and name HG3) ( resid 57 and name HB3) 3.4 0.7 0.7 volume=1.132 peak=1379 ppm1=1.157 ppm2=1.410
assign ( resid 3 and name HA) ( resid 3 and name HG3) 3.6 0.7 0.7 volume=0.832 peak=462 ppm1=4.348 ppm2=2.408
assign ( resid 76 and name HD1*) ( resid 76 and name HB) 3.5 0.7 0.7 volume=0.963 peak=2393 ppm1=0.173 ppm2=2.029
assign ( resid 41 and name HA) ( resid 42 and name HA) 3.8 0.8 0.8 volume=0.582 peak=1074 ppm1=4.241 ppm2=4.355
assign ( resid 8 and name HG13) ( resid 8 and name HD1*) 3.6 0.7 0.7 volume=0.814 peak=2713 ppm1=1.912 ppm2=0.626
assign ( resid 117 and name HA) ( resid 117 and name HB2) 3.9 0.8 0.8 volume=0.564 peak=2872 ppm1=3.717 ppm2=2.406
assign ( resid 55 and name HG2*) ( resid 56 and name H) 3.2 0.6 0.6 volume=1.875 peak=710 ppm1=0.819 ppm2=8.260
assign ( resid 35 and name HE2) ( resid 35 and name HD2) 2.9 0.6 0.6 volume=3.174 peak=62 ppm1=2.917 ppm2=1.602
assign ( resid 26 and name HA) ( resid 26 and name HB*) 2.9 0.6 0.6 volume=3.029 peak=912 ppm1=4.447 ppm2=1.257
assign ( resid 98 and name HE3) ( resid 98 and name HG2) 3.8 0.8 0.8 volume=0.615 peak=1460 ppm1=2.743 ppm2=-0.186
assign ( resid 42 and name HA) ( resid 128 and name HB) 4.0 0.8 0.8 volume=0.449 peak=2375 ppm1=4.355 ppm2=2.428
assign ( resid 13 and name HB3) ( resid 13 and name HA) 3.2 0.6 0.6 volume=1.638 peak=2682 ppm1=2.061 ppm2=3.984
assign ( resid 114 and name HB3) ( resid 114 and name HD3) 2.5 0.5 0.5 volume=6.698 peak=1594 ppm1=1.764 ppm2=1.715
assign ( resid 52 and name HG2) ( resid 52 and name H) 3.9 0.8 0.8 volume=0.514 peak=428 ppm1=2.067 ppm2=8.687
assign ( resid 17 and name HB3) ( resid 17 and name HE*) 3.6 0.7 0.7 volume=0.888 peak=2832 ppm1=1.643 ppm2=1.479
assign ( resid 69 and name HB2) ( resid 69 and name HD3) 3.8 0.8 0.8 volume=0.623 peak=2300 ppm1=2.228 ppm2=3.656
assign ( resid 55 and name HG2*) ( resid 55 and name HA) 2.8 0.6 0.6 volume=3.551 peak=2084 ppm1=0.818 ppm2=4.330
assign ( resid 85 and name HA) ( resid 84 and name H) 4.3 0.9 0.9 volume=0.310 peak=1337 ppm1=5.152 ppm2=8.056
assign ( resid 111 and name HB3) ( resid 112 and name HA) 3.2 0.6 0.6 volume=1.749 peak=1075 ppm1=4.113 ppm2=3.844
assign ( resid 99 and name HA) ( resid 99 and name H) 4.4 0.9 0.9 volume=0.244 peak=200 ppm1=4.488 ppm2=7.389
assign ( resid 20 and name HB2) ( resid 20 and name HD*) 4.1 0.8 0.8 volume=0.400 peak=1086 ppm1=1.861 ppm2=6.198
assign ( resid 69 and name HG2) ( resid 70 and name H) 4.4 0.9 0.9 volume=0.254 peak=1789 ppm1=2.177 ppm2=8.651
assign ( resid 32 and name HB) ( resid 107 and name H) 4.7 0.9 0.9 volume=0.167 peak=754 ppm1=1.888 ppm2=8.899
assign ( resid 97 and name HB2) ( resid 97 and name HD1) 4.8 1.0 1.0 volume=0.153 peak=3077 ppm1=3.209 ppm2=7.470
assign ( resid 71 and name HA) ( resid 72 and name H) 4.6 0.9 0.9 volume=0.193 peak=2221 ppm1=4.318 ppm2=10.282
assign ( resid 57 and name HG2) ( resid 58 and name H) 4.5 0.9 0.9 volume=0.219 peak=2648 ppm1=1.104 ppm2=6.485
assign ( resid 46 and name HA) ( resid 46 and name HB2) 4.8 1.0 1.0 volume=0.142 peak=107 ppm1=5.161 ppm2=2.307
assign ( resid 113 and name HB2) ( resid 113 and name HG3) 4.7 0.9 0.9 volume=0.168 peak=63 ppm1=2.168 ppm2=3.541
assign ( resid 94 and name HA2) ( resid 93 and name HA2) 4.9 1.0 1.0 volume=0.136 peak=433 ppm1=3.969 ppm2=4.394
assign ( resid 27 and name HG) ( resid 27 and name HD2*) 3.1 0.6 0.6 volume=2.109 peak=2045 ppm1=1.530 ppm2=0.814
assign ( resid 32 and name HG2*) ( resid 32 and name HB) 3.1 0.6 0.6 volume=2.027 peak=2735 ppm1=1.009 ppm2=1.900
assign ( resid 115 and name HB3) ( resid 27 and name HD1*) 3.3 0.7 0.7 volume=1.548 peak=579 ppm1=2.012 ppm2=0.647
assign ( resid 24 and name HE3) ( resid 24 and name HG2) 2.6 0.5 0.5 volume=5.598 peak=1851 ppm1=3.011 ppm2=1.401
assign ( resid 31 and name HG12) ( resid 32 and name H) 4.3 0.9 0.9 volume=0.305 peak=679 ppm1=0.788 ppm2=8.259
assign ( resid 76 and name HG2*) ( resid 126 and name HB) 4.0 0.8 0.8 volume=0.472 peak=460 ppm1=0.652 ppm2=1.800
assign ( resid 98 and name HA) ( resid 98 and name HB2) 3.8 0.8 0.8 volume=0.609 peak=2732 ppm1=3.100 ppm2=1.434
assign ( resid 31 and name HB) ( resid 31 and name HG12) 4.0 0.8 0.8 volume=0.429 peak=2008 ppm1=1.854 ppm2=0.792
assign ( resid 4 and name HB2) ( resid 4 and name HG3) 2.7 0.5 0.5 volume=5.130 peak=798 ppm1=2.054 ppm2=2.226
assign ( resid 57 and name HG3) ( resid 57 and name HD3) 3.1 0.6 0.6 volume=2.116 peak=2247 ppm1=1.159 ppm2=1.494
assign ( resid 115 and name HG2) ( resid 115 and name HB2) 2.5 0.5 0.5 volume=7.194 peak=1884 ppm1=2.198 ppm2=2.002
assign ( resid 120 and name HG1*) ( resid 120 and name HA) 3.0 0.6 0.6 volume=2.367 peak=1083 ppm1=0.199 ppm2=3.691
assign ( resid 106 and name HG2*) ( resid 31 and name H) 4.4 0.9 0.9 volume=0.241 peak=727 ppm1=0.630 ppm2=7.626
assign ( resid 114 and name HB2) ( resid 114 and name HD3) 2.9 0.6 0.6 volume=3.298 peak=2642 ppm1=1.798 ppm2=1.715
assign ( resid 65 and name HD2) ( resid 65 and name HG3) 3.1 0.6 0.6 volume=1.924 peak=52 ppm1=3.694 ppm2=2.003
assign ( resid 114 and name HA) ( resid 118 and name H) 4.9 1.0 1.0 volume=0.135 peak=808 ppm1=2.845 ppm2=7.196
assign ( resid 36 and name HG2) ( resid 36 and name HB3) 3.6 0.7 0.7 volume=0.833 peak=431 ppm1=1.844 ppm2=1.998
assign ( resid 35 and name HG2) ( resid 35 and name HB3) 4.4 0.9 0.9 volume=0.255 peak=690 ppm1=1.594 ppm2=1.504
assign ( resid 61 and name HB3) ( resid 60 and name HA) 4.6 0.9 0.9 volume=0.203 peak=2243 ppm1=2.733 ppm2=4.954
assign ( resid 100 and name HG3) ( resid 100 and name HE) 4.2 0.8 0.8 volume=0.357 peak=2690 ppm1=1.668 ppm2=7.196
assign ( resid 100 and name HD2) ( resid 100 and name HB2) 3.5 0.7 0.7 volume=1.021 peak=1848 ppm1=3.221 ppm2=2.285
assign ( resid 53 and name HA) ( resid 53 and name HB3) 3.7 0.7 0.7 volume=0.776 peak=556 ppm1=4.409 ppm2=2.760
assign ( resid 56 and name HD2*) ( resid 73 and name HD1) 4.4 0.9 0.9 volume=0.263 peak=882 ppm1=-0.594 ppm2=7.153
assign ( resid 55 and name HG2*) ( resid 55 and name H) 3.3 0.7 0.7 volume=1.556 peak=793 ppm1=0.816 ppm2=8.438
assign ( resid 31 and name HD1*) ( resid 31 and name HG13) 2.1 0.3 0.4 volume=23.902 peak=2309 ppm1=0.435 ppm2=0.482
assign ( resid 100 and name HG2) ( resid 100 and name HD3) 3.4 0.7 0.7 volume=1.140 peak=197 ppm1=1.651 ppm2=3.107
assign ( resid 12 and name HB3) ( resid 12 and name HD1*) 3.6 0.7 0.7 volume=0.786 peak=2823 ppm1=0.935 ppm2=0.545
assign ( resid 39 and name HG2) ( resid 39 and name HB2) 2.7 0.5 0.5 volume=4.437 peak=1875 ppm1=1.957 ppm2=2.009
assign ( resid 74 and name HE*) ( resid 114 and name HA) 4.3 0.9 0.9 volume=0.302 peak=348 ppm1=1.633 ppm2=2.842
assign ( resid 20 and name HB2) ( resid 20 and name H) 4.7 0.9 0.9 volume=0.168 peak=1945 ppm1=1.861 ppm2=8.966
assign ( resid 91 and name HG3) ( resid 90 and name HA) 3.5 0.7 0.7 volume=0.931 peak=2055 ppm1=2.214 ppm2=4.489
assign ( resid 98 and name HB2) ( resid 99 and name HA) 5.7 1.1 1.1 volume=0.056 peak=716 ppm1=1.429 ppm2=4.490
assign ( resid 71 and name HB3) ( resid 71 and name H) 4.0 0.8 0.8 volume=0.429 peak=2331 ppm1=2.392 ppm2=10.488
assign ( resid 67 and name HG3) ( resid 67 and name HA) 3.7 0.7 0.7 volume=0.681 peak=1105 ppm1=1.961 ppm2=4.975
assign ( resid 84 and name HB3) ( resid 84 and name HA) 4.7 0.9 0.9 volume=0.172 peak=2367 ppm1=3.731 ppm2=5.593
assign ( resid 122 and name HD3) ( resid 122 and name HB3) 3.2 0.6 0.6 volume=1.713 peak=1519 ppm1=1.804 ppm2=1.678
assign ( resid 96 and name HD1*) ( resid 96 and name HA) 3.2 0.6 0.6 volume=1.579 peak=261 ppm1=0.619 ppm2=3.876
assign ( resid 65 and name HD3) ( resid 65 and name HB2) 4.1 0.8 0.8 volume=0.389 peak=658 ppm1=3.881 ppm2=2.236
assign ( resid 74 and name HG2) ( resid 74 and name H) 5.0 1.0 1.0 volume=0.115 peak=873 ppm1=2.442 ppm2=8.028
assign ( resid 98 and name HA) ( resid 98 and name HD2) 4.1 0.8 0.8 volume=0.373 peak=2412 ppm1=3.100 ppm2=1.247
assign ( resid 11 and name HB3) ( resid 11 and name H) 4.7 0.9 0.9 volume=0.175 peak=617 ppm1=2.844 ppm2=8.630
assign ( resid 25 and name HG1*) ( resid 19 and name H) 4.3 0.9 0.9 volume=0.291 peak=2479 ppm1=0.680 ppm2=9.125
assign ( resid 39 and name HB2) ( resid 40 and name H) 4.3 0.9 0.9 volume=0.284 peak=2477 ppm1=2.005 ppm2=8.624
assign ( resid 74 and name HE*) ( resid 74 and name H) 3.6 0.7 0.7 volume=0.855 peak=2420 ppm1=1.634 ppm2=8.038
assign ( resid 88 and name HB2) ( resid 88 and name HA) 4.1 0.8 0.8 volume=0.379 peak=1139 ppm1=3.456 ppm2=4.646
assign ( resid 21 and name HD2) ( resid 19 and name HE*) 4.0 0.8 0.8 volume=0.452 peak=2901 ppm1=1.757 ppm2=6.506
assign ( resid 121 and name HA) ( resid 121 and name HB3) 3.6 0.7 0.7 volume=0.792 peak=2575 ppm1=4.424 ppm2=2.065
assign ( resid 127 and name HA) ( resid 128 and name H) 4.4 0.9 0.9 volume=0.268 peak=1504 ppm1=5.025 ppm2=9.068
assign ( resid 122 and name HB3) ( resid 122 and name HE3) 4.3 0.9 0.9 volume=0.302 peak=353 ppm1=1.674 ppm2=3.098
assign ( resid 25 and name HB) ( resid 25 and name HA) 3.8 0.8 0.8 volume=0.626 peak=2842 ppm1=1.915 ppm2=3.258
assign ( resid 49 and name HB2) ( resid 49 and name HD21) 4.5 0.9 0.9 volume=0.215 peak=64 ppm1=2.677 ppm2=7.816
assign ( resid 86 and name HB3) ( resid 86 and name HA) 4.9 1.0 1.0 volume=0.132 peak=1792 ppm1=2.422 ppm2=3.618
assign ( resid 57 and name HB2) ( resid 57 and name HA) 3.9 0.8 0.8 volume=0.535 peak=2098 ppm1=1.597 ppm2=4.653
assign ( resid 96 and name HG) ( resid 96 and name HB3) 3.9 0.8 0.8 volume=0.557 peak=1328 ppm1=1.722 ppm2=2.101
assign ( resid 114 and name HA) ( resid 114 and name HD3) 3.4 0.7 0.7 volume=1.149 peak=896 ppm1=2.838 ppm2=1.715
assign ( resid 110 and name HA) ( resid 110 and name HD2) 4.3 0.9 0.9 volume=0.288 peak=2201 ppm1=3.994 ppm2=3.824
assign ( resid 26 and name HA) ( resid 27 and name H) 4.1 0.8 0.8 volume=0.395 peak=2959 ppm1=4.449 ppm2=7.641
assign ( resid 15 and name HG2) ( resid 15 and name HB2) 3.6 0.7 0.7 volume=0.829 peak=2486 ppm1=2.089 ppm2=2.237
assign ( resid 31 and name HD1*) ( resid 11 and name HA) 4.4 0.9 0.9 volume=0.241 peak=2282 ppm1=0.439 ppm2=4.286
assign ( resid 24 and name HB3) ( resid 25 and name HA) 5.3 1.1 1.1 volume=0.085 peak=875 ppm1=1.687 ppm2=3.254
assign ( resid 66 and name HB3) ( resid 66 and name HA) 3.7 0.7 0.7 volume=0.734 peak=1584 ppm1=2.874 ppm2=4.898
assign ( resid 114 and name HD3) ( resid 114 and name HB3) 2.6 0.5 0.5 volume=5.580 peak=2137 ppm1=1.711 ppm2=1.768
assign ( resid 31 and name HD1*) ( resid 31 and name HA) 3.7 0.7 0.7 volume=0.738 peak=1738 ppm1=0.436 ppm2=5.057
assign ( resid 5 and name HB2) ( resid 5 and name H) 3.5 0.7 0.7 volume=1.062 peak=1268 ppm1=2.680 ppm2=8.421
assign ( resid 119 and name HE*) ( resid 28 and name H) 3.9 0.8 0.8 volume=0.551 peak=534 ppm1=2.074 ppm2=8.422
assign ( resid 40 and name HB) ( resid 41 and name HD3) 3.2 0.6 0.6 volume=1.595 peak=931 ppm1=3.675 ppm2=3.677
assign ( resid 22 and name HA) ( resid 22 and name H) 3.4 0.7 0.7 volume=1.236 peak=1051 ppm1=4.172 ppm2=8.649
assign ( resid 50 and name HD3) ( resid 50 and name HA) 4.4 0.9 0.9 volume=0.245 peak=3046 ppm1=1.834 ppm2=4.772
assign ( resid 120 and name HA) ( resid 119 and name H) 3.9 0.8 0.8 volume=0.495 peak=701 ppm1=3.696 ppm2=7.345
assign ( resid 120 and name HA) ( resid 120 and name HB) 4.0 0.8 0.8 volume=0.450 peak=2230 ppm1=3.694 ppm2=1.458
assign ( resid 83 and name HG12) ( resid 83 and name HG2*) 5.5 1.1 1.1 volume=0.069 peak=1595 ppm1=0.679 ppm2=0.722
assign ( resid 31 and name HB) ( resid 31 and name HA) 4.1 0.8 0.8 volume=0.380 peak=2440 ppm1=1.854 ppm2=5.066
assign ( resid 23 and name HA2) ( resid 23 and name H) 3.6 0.7 0.7 volume=0.796 peak=2110 ppm1=3.759 ppm2=8.839
assign ( resid 102 and name HB3) ( resid 102 and name H) 4.8 1.0 1.0 volume=0.158 peak=58 ppm1=3.781 ppm2=8.532
assign ( resid 3 and name HB2) ( resid 3 and name HG3) 3.5 0.7 0.7 volume=1.074 peak=1987 ppm1=1.930 ppm2=2.414
assign ( resid 6 and name HG2*) ( resid 119 and name HG3) 4.6 0.9 0.9 volume=0.205 peak=3070 ppm1=1.580 ppm2=2.555
assign ( resid 125 and name HG3) ( resid 125 and name HA) 3.9 0.8 0.8 volume=0.486 peak=278 ppm1=2.354 ppm2=4.464
assign ( resid 39 and name HD3) ( resid 38 and name HB) 4.7 0.9 0.9 volume=0.166 peak=1561 ppm1=3.386 ppm2=4.336
assign ( resid 81 and name HB) ( resid 81 and name HG2*) 3.5 0.7 0.7 volume=0.929 peak=2481 ppm1=1.606 ppm2=0.590
assign ( resid 101 and name HA2) ( resid 100 and name HA) 4.7 0.9 0.9 volume=0.167 peak=3136 ppm1=4.223 ppm2=4.773
assign ( resid 3 and name HB3) ( resid 4 and name H) 4.2 0.8 0.8 volume=0.349 peak=2583 ppm1=1.740 ppm2=8.359
assign ( resid 27 and name HB2) ( resid 19 and name HB2) 4.2 0.8 0.8 volume=0.355 peak=2317 ppm1=1.393 ppm2=2.713
assign ( resid 125 and name HD3) ( resid 125 and name HB3) 4.7 0.9 0.9 volume=0.168 peak=549 ppm1=4.298 ppm2=1.909
assign ( resid 98 and name HD2) ( resid 98 and name HE2) 3.1 0.6 0.6 volume=2.232 peak=683 ppm1=1.242 ppm2=2.735
assign ( resid 6 and name HG2*) ( resid 120 and name HA) 4.5 0.9 0.9 volume=0.210 peak=1704 ppm1=1.578 ppm2=3.700
assign ( resid 3 and name HE*) ( resid 4 and name H) 4.2 0.8 0.8 volume=0.352 peak=2568 ppm1=1.943 ppm2=8.362
assign ( resid 6 and name HA) ( resid 6 and name HB) 4.2 0.8 0.8 volume=0.331 peak=1308 ppm1=5.212 ppm2=4.193
assign ( resid 70 and name HG2*) ( resid 69 and name HA) 3.7 0.7 0.7 volume=0.663 peak=1273 ppm1=0.622 ppm2=4.919
assign ( resid 121 and name HG2) ( resid 122 and name H) 3.8 0.8 0.8 volume=0.590 peak=2904 ppm1=2.240 ppm2=9.206
assign ( resid 114 and name HA) ( resid 114 and name HD2) 3.6 0.7 0.7 volume=0.903 peak=1073 ppm1=2.838 ppm2=1.697
assign ( resid 36 and name HD2) ( resid 36 and name HB3) 4.5 0.9 0.9 volume=0.224 peak=1194 ppm1=4.017 ppm2=1.998
assign ( resid 120 and name HG1*) ( resid 120 and name HG2*) 2.4 0.5 0.5 volume=9.246 peak=1648 ppm1=0.199 ppm2=0.593
assign ( resid 114 and name HG3) ( resid 114 and name HA) 3.9 0.8 0.8 volume=0.521 peak=834 ppm1=1.348 ppm2=2.842
assign ( resid 29 and name HA) ( resid 30 and name HB2) 4.3 0.9 0.9 volume=0.275 peak=1991 ppm1=4.337 ppm2=2.577
assign ( resid 36 and name HB3) ( resid 36 and name HD3) 4.1 0.8 0.8 volume=0.378 peak=2782 ppm1=1.994 ppm2=3.727
assign ( resid 55 and name HG2*) ( resid 55 and name HB) 2.6 0.5 0.5 volume=5.660 peak=2762 ppm1=0.819 ppm2=3.739
assign ( resid 17 and name HE*) ( resid 109 and name HD3) 4.1 0.8 0.8 volume=0.415 peak=1734 ppm1=1.477 ppm2=2.940
assign ( resid 31 and name HD1*) ( resid 17 and name HA) 4.4 0.9 0.9 volume=0.239 peak=1463 ppm1=0.436 ppm2=5.636
assign ( resid 21 and name HD3) ( resid 21 and name HA) 3.9 0.8 0.8 volume=0.540 peak=851 ppm1=1.602 ppm2=4.533
assign ( resid 116 and name HD1*) ( resid 116 and name HB3) 3.2 0.6 0.6 volume=1.832 peak=1361 ppm1=0.603 ppm2=1.216
assign ( resid 19 and name HA) ( resid 20 and name HA) 4.7 0.9 0.9 volume=0.181 peak=34 ppm1=5.369 ppm2=4.453
assign ( resid 26 and name HB*) ( resid 19 and name HE*) 3.3 0.7 0.7 volume=1.447 peak=3159 ppm1=1.259 ppm2=6.504
assign ( resid 121 and name HB3) ( resid 121 and name H) 3.7 0.7 0.7 volume=0.689 peak=626 ppm1=2.068 ppm2=8.087
assign ( resid 19 and name HB3) ( resid 20 and name H) 5.1 1.0 1.0 volume=0.109 peak=2586 ppm1=2.563 ppm2=8.966
assign ( resid 65 and name HD3) ( resid 65 and name HG3) 3.1 0.6 0.6 volume=1.953 peak=1835 ppm1=3.881 ppm2=2.003
assign ( resid 6 and name HA) ( resid 7 and name HB2) 4.7 0.9 0.9 volume=0.175 peak=2397 ppm1=5.212 ppm2=2.729
assign ( resid 129 and name HB2) ( resid 129 and name H) 4.4 0.9 0.9 volume=0.237 peak=649 ppm1=3.170 ppm2=8.823
assign ( resid 95 and name HB2) ( resid 96 and name HA) 4.4 0.9 0.9 volume=0.246 peak=3161 ppm1=2.714 ppm2=3.876
assign ( resid 57 and name HE3) ( resid 57 and name HA) 4.2 0.8 0.8 volume=0.343 peak=2995 ppm1=2.769 ppm2=4.646
assign ( resid 70 and name HG2*) ( resid 55 and name H) 4.4 0.9 0.9 volume=0.271 peak=616 ppm1=0.623 ppm2=8.441
assign ( resid 109 and name HB3) ( resid 110 and name HD3) 4.8 1.0 1.0 volume=0.157 peak=2788 ppm1=1.331 ppm2=3.918
assign ( resid 21 and name HD2) ( resid 21 and name HE3) 3.0 0.6 0.6 volume=2.745 peak=2678 ppm1=1.751 ppm2=3.001
assign ( resid 24 and name HD2) ( resid 24 and name HB2) 2.6 0.5 0.5 volume=6.498 peak=2697 ppm1=1.700 ppm2=1.767
assign ( resid 24 and name HE3) ( resid 24 and name HD2) 2.3 0.5 0.5 volume=12.740 peak=2368 ppm1=3.011 ppm2=1.704
assign ( resid 36 and name HD2) ( resid 36 and name HG3) 4.6 0.9 0.9 volume=0.202 peak=2178 ppm1=4.016 ppm2=2.017
assign ( resid 120 and name HA) ( resid 120 and name HG1*) 3.5 0.7 0.7 volume=0.983 peak=1570 ppm1=3.695 ppm2=0.204
assign ( resid 121 and name HA) ( resid 120 and name HB) 5.4 1.1 1.1 volume=0.078 peak=707 ppm1=4.426 ppm2=1.460
assign ( resid 82 and name HA3) ( resid 81 and name HA) 4.0 0.8 0.8 volume=0.421 peak=2566 ppm1=4.188 ppm2=3.723
assign ( resid 122 and name HB3) ( resid 121 and name HA) 4.3 0.9 0.9 volume=0.294 peak=3120 ppm1=1.674 ppm2=4.430
assign ( resid 80 and name HA3) ( resid 81 and name HA) 3.8 0.8 0.8 volume=0.623 peak=1802 ppm1=3.839 ppm2=3.723
assign ( resid 106 and name HG2*) ( resid 31 and name HA) 3.9 0.8 0.8 volume=0.488 peak=684 ppm1=0.631 ppm2=5.063
assign ( resid 41 and name HB2) ( resid 41 and name HA) 3.7 0.7 0.7 volume=0.661 peak=326 ppm1=1.846 ppm2=4.254
assign ( resid 112 and name HA) ( resid 112 and name H) 3.6 0.7 0.7 volume=0.812 peak=1279 ppm1=3.840 ppm2=6.727
assign ( resid 57 and name HE2) ( resid 57 and name HG2) 2.9 0.6 0.6 volume=2.956 peak=3059 ppm1=2.764 ppm2=1.108
assign ( resid 69 and name HD2) ( resid 68 and name HA) 3.4 0.7 0.7 volume=1.284 peak=1506 ppm1=3.780 ppm2=4.872
assign ( resid 45 and name HB3) ( resid 46 and name HA) 5.5 1.1 1.1 volume=0.064 peak=1511 ppm1=2.455 ppm2=5.165
assign ( resid 128 and name HB) ( resid 128 and name HG1*) 3.5 0.7 0.7 volume=1.075 peak=120 ppm1=2.430 ppm2=0.807
assign ( resid 39 and name HG3) ( resid 39 and name HA) 4.4 0.9 0.9 volume=0.258 peak=1797 ppm1=1.815 ppm2=4.160
assign ( resid 60 and name HB2) ( resid 60 and name HD21) 4.1 0.8 0.8 volume=0.388 peak=2473 ppm1=3.009 ppm2=7.544
assign ( resid 115 and name HB2) ( resid 116 and name H) 3.6 0.7 0.7 volume=0.880 peak=2752 ppm1=1.998 ppm2=8.644
assign ( resid 128 and name HG2*) ( resid 129 and name H) 3.7 0.7 0.7 volume=0.723 peak=884 ppm1=0.799 ppm2=8.810
assign ( resid 65 and name HG2) ( resid 66 and name H) 4.4 0.9 0.9 volume=0.266 peak=878 ppm1=2.022 ppm2=8.085
assign ( resid 114 and name HG2) ( resid 114 and name HD3) 3.1 0.6 0.6 volume=2.008 peak=557 ppm1=1.137 ppm2=1.715
assign ( resid 37 and name HG2*) ( resid 36 and name HG2) 4.3 0.9 0.9 volume=0.298 peak=1064 ppm1=1.283 ppm2=1.840
assign ( resid 69 and name HD3) ( resid 69 and name HG3) 3.4 0.7 0.7 volume=1.275 peak=182 ppm1=3.651 ppm2=1.900
assign ( resid 120 and name HB) ( resid 120 and name HA) 3.7 0.7 0.7 volume=0.674 peak=141 ppm1=1.459 ppm2=3.698
assign ( resid 29 and name HA) ( resid 30 and name H) 3.4 0.7 0.7 volume=1.122 peak=1921 ppm1=4.337 ppm2=8.393
assign ( resid 29 and name HA) ( resid 28 and name HA) 4.4 0.9 0.9 volume=0.238 peak=670 ppm1=4.337 ppm2=4.986
assign ( resid 51 and name HA) ( resid 51 and name HB2) 4.1 0.8 0.8 volume=0.366 peak=1653 ppm1=4.977 ppm2=2.246
assign ( resid 11 and name HB3) ( resid 11 and name HA) 4.5 0.9 0.9 volume=0.212 peak=4 ppm1=2.844 ppm2=4.274
assign ( resid 6 and name HA) ( resid 6 and name HG2*) 3.5 0.7 0.7 volume=0.975 peak=1145 ppm1=5.212 ppm2=1.582
assign ( resid 74 and name HE*) ( resid 108 and name HB) 4.3 0.9 0.9 volume=0.287 peak=1376 ppm1=1.633 ppm2=3.408
assign ( resid 100 and name HD2) ( resid 96 and name HB2) 3.9 0.8 0.8 volume=0.486 peak=977 ppm1=3.222 ppm2=1.122
assign ( resid 12 and name HD1*) ( resid 12 and name HA) 3.2 0.6 0.6 volume=1.603 peak=789 ppm1=0.543 ppm2=3.687
assign ( resid 89 and name HB3) ( resid 89 and name HA) 5.0 1.0 1.0 volume=0.121 peak=457 ppm1=1.202 ppm2=5.169
assign ( resid 78 and name HB3) ( resid 78 and name HB2) 4.0 0.8 0.8 volume=0.434 peak=953 ppm1=3.286 ppm2=3.182
assign ( resid 12 and name HG) ( resid 12 and name HD1*) 3.7 0.7 0.7 volume=0.756 peak=914 ppm1=1.447 ppm2=0.547
assign ( resid 6 and name HG2*) ( resid 125 and name HD3) 3.9 0.8 0.8 volume=0.505 peak=2801 ppm1=1.579 ppm2=4.309
assign ( resid 74 and name HE*) ( resid 50 and name HA) 3.5 0.7 0.7 volume=0.966 peak=1620 ppm1=1.634 ppm2=4.763
assign ( resid 47 and name HG2*) ( resid 47 and name H) 3.5 0.7 0.7 volume=0.976 peak=2996 ppm1=0.745 ppm2=8.348
assign ( resid 112 and name HG1*) ( resid 29 and name HB) 2.9 0.6 0.6 volume=3.131 peak=575 ppm1=0.665 ppm2=3.965
assign ( resid 67 and name HG3) ( resid 67 and name H) 4.1 0.8 0.8 volume=0.361 peak=1265 ppm1=1.958 ppm2=8.226
assign ( resid 110 and name HA) ( resid 110 and name HG2) 4.1 0.8 0.8 volume=0.360 peak=986 ppm1=3.994 ppm2=1.816
assign ( resid 72 and name HB2) ( resid 72 and name H) 5.0 1.0 1.0 volume=0.114 peak=109 ppm1=2.738 ppm2=10.282
assign ( resid 96 and name HA) ( resid 96 and name HB2) 3.7 0.7 0.7 volume=0.756 peak=2797 ppm1=3.872 ppm2=1.123
assign ( resid 17 and name HE*) ( resid 17 and name HB3) 2.9 0.6 0.6 volume=3.053 peak=2624 ppm1=1.474 ppm2=1.643
assign ( resid 76 and name HA) ( resid 76 and name HG2*) 3.7 0.7 0.7 volume=0.700 peak=749 ppm1=5.722 ppm2=0.661
assign ( resid 90 and name HB3) ( resid 89 and name HA) 4.6 0.9 0.9 volume=0.190 peak=300 ppm1=1.996 ppm2=5.169
assign ( resid 21 and name HA) ( resid 21 and name HB3) 4.3 0.9 0.9 volume=0.303 peak=327 ppm1=4.535 ppm2=1.524
assign ( resid 82 and name HA2) ( resid 82 and name H) 5.1 1.0 1.0 volume=0.110 peak=143 ppm1=3.669 ppm2=6.945
assign ( resid 113 and name HE*) ( resid 73 and name HA) 3.8 0.8 0.8 volume=0.607 peak=1248 ppm1=2.075 ppm2=5.707
assign ( resid 39 and name HD3) ( resid 40 and name H) 5.5 1.1 1.1 volume=0.066 peak=2643 ppm1=3.386 ppm2=8.624
assign ( resid 5 and name HB2) ( resid 5 and name HA) 3.1 0.6 0.6 volume=2.234 peak=1006 ppm1=2.678 ppm2=4.676
assign ( resid 36 and name HD2) ( resid 36 and name HG2) 5.1 1.0 1.0 volume=0.101 peak=468 ppm1=4.017 ppm2=1.848
assign ( resid 35 and name HB3) ( resid 35 and name HE3) 4.9 1.0 1.0 volume=0.138 peak=366 ppm1=1.500 ppm2=2.836
assign ( resid 65 and name HD3) ( resid 64 and name HB) 3.6 0.7 0.7 volume=0.912 peak=224 ppm1=3.882 ppm2=4.337
assign ( resid 39 and name HB3) ( resid 39 and name HG2) 2.9 0.6 0.6 volume=3.023 peak=2080 ppm1=1.805 ppm2=1.961
assign ( resid 113 and name HE*) ( resid 72 and name HB3) 3.2 0.6 0.6 volume=1.594 peak=2578 ppm1=2.075 ppm2=2.725
assign ( resid 114 and name HG2) ( resid 114 and name HE2) 3.4 0.7 0.7 volume=1.151 peak=2356 ppm1=1.137 ppm2=2.989
assign ( resid 40 and name HG2*) ( resid 12 and name HD2*) 3.1 0.6 0.6 volume=2.259 peak=2771 ppm1=1.121 ppm2=0.402
assign ( resid 6 and name HG2*) ( resid 119 and name H) 4.7 0.9 0.9 volume=0.169 peak=1619 ppm1=1.573 ppm2=7.358
assign ( resid 25 and name HA) ( resid 25 and name HG1*) 3.5 0.7 0.7 volume=0.961 peak=2289 ppm1=3.256 ppm2=0.682
assign ( resid 109 and name HB3) ( resid 108 and name HA) 4.7 0.9 0.9 volume=0.174 peak=753 ppm1=1.331 ppm2=4.422
assign ( resid 112 and name HG2*) ( resid 29 and name HG1) 3.7 0.7 0.7 volume=0.662 peak=501 ppm1=0.878 ppm2=5.481
assign ( resid 69 and name HG3) ( resid 69 and name HD2) 3.2 0.6 0.6 volume=1.630 peak=132 ppm1=1.902 ppm2=3.789
assign ( resid 95 and name HB2) ( resid 95 and name H) 4.2 0.8 0.8 volume=0.340 peak=660 ppm1=2.714 ppm2=8.530
assign ( resid 36 and name HD2) ( resid 36 and name HD3) 4.4 0.9 0.9 volume=0.252 peak=2325 ppm1=4.019 ppm2=3.733
assign ( resid 65 and name HB2) ( resid 65 and name HG3) 3.0 0.6 0.6 volume=2.691 peak=2744 ppm1=2.233 ppm2=2.000
assign ( resid 3 and name HB3) ( resid 3 and name HA) 3.7 0.7 0.7 volume=0.707 peak=227 ppm1=1.740 ppm2=4.352
assign ( resid 124 and name HA) ( resid 124 and name HG2*) 3.9 0.8 0.8 volume=0.525 peak=1282 ppm1=4.446 ppm2=1.565
assign ( resid 3 and name HG2) ( resid 3 and name HB2) 3.1 0.6 0.6 volume=2.107 peak=2189 ppm1=2.331 ppm2=1.934
assign ( resid 70 and name HB) ( resid 70 and name HG1*) 3.6 0.7 0.7 volume=0.854 peak=420 ppm1=2.812 ppm2=1.009
assign ( resid 78 and name HB2) ( resid 78 and name HE3) 4.7 0.9 0.9 volume=0.166 peak=167 ppm1=3.177 ppm2=7.362
assign ( resid 25 and name HA) ( resid 26 and name H) 3.7 0.7 0.7 volume=0.771 peak=340 ppm1=3.250 ppm2=9.292
assign ( resid 125 and name HD3) ( resid 125 and name HG2) 4.6 0.9 0.9 volume=0.194 peak=2453 ppm1=4.298 ppm2=2.168
assign ( resid 74 and name HE*) ( resid 50 and name H) 4.6 0.9 0.9 volume=0.185 peak=402 ppm1=1.633 ppm2=7.665
assign ( resid 127 and name HG) ( resid 127 and name HD1*) 2.9 0.6 0.6 volume=2.927 peak=2749 ppm1=1.732 ppm2=0.828
assign ( resid 125 and name HG2) ( resid 125 and name HD3) 4.2 0.8 0.8 volume=0.333 peak=363 ppm1=2.157 ppm2=4.290
assign ( resid 24 and name HG3) ( resid 24 and name HB2) 2.7 0.5 0.5 volume=4.656 peak=1618 ppm1=1.387 ppm2=1.767
assign ( resid 41 and name HG3) ( resid 41 and name HD3) 4.0 0.8 0.8 volume=0.457 peak=444 ppm1=1.970 ppm2=3.679
assign ( resid 2 and name HB3) ( resid 3 and name HG3) 4.6 0.9 0.9 volume=0.197 peak=2061 ppm1=3.131 ppm2=2.409
assign ( resid 41 and name HB3) ( resid 41 and name HG3) 2.5 0.5 0.5 volume=6.941 peak=958 ppm1=2.002 ppm2=1.974
assign ( resid 9 and name HG3) ( resid 9 and name HB2) 3.7 0.7 0.7 volume=0.700 peak=75 ppm1=2.542 ppm2=2.442
assign ( resid 51 and name HA) ( resid 52 and name H) 4.2 0.8 0.8 volume=0.326 peak=7 ppm1=4.977 ppm2=8.698
assign ( resid 125 and name HB3) ( resid 125 and name HD2) 4.2 0.8 0.8 volume=0.345 peak=2343 ppm1=1.905 ppm2=4.454
assign ( resid 8 and name HB) ( resid 8 and name HD1*) 3.7 0.7 0.7 volume=0.731 peak=689 ppm1=1.881 ppm2=0.630
assign ( resid 31 and name HG13) ( resid 32 and name H) 4.7 0.9 0.9 volume=0.166 peak=42 ppm1=0.478 ppm2=8.259
assign ( resid 24 and name HB3) ( resid 24 and name HE3) 4.1 0.8 0.8 volume=0.360 peak=1980 ppm1=1.687 ppm2=3.015
assign ( resid 53 and name HA) ( resid 53 and name HB2) 3.7 0.7 0.7 volume=0.753 peak=419 ppm1=4.409 ppm2=2.606
assign ( resid 39 and name HD2) ( resid 39 and name HB2) 3.7 0.7 0.7 volume=0.693 peak=591 ppm1=3.408 ppm2=2.009
assign ( resid 35 and name HE3) ( resid 35 and name HD3) 3.5 0.7 0.7 volume=0.926 peak=2105 ppm1=2.831 ppm2=1.405
assign ( resid 17 and name HB3) ( resid 17 and name HG2) 4.5 0.9 0.9 volume=0.233 peak=3049 ppm1=1.643 ppm2=2.261
assign ( resid 83 and name HG2*) ( resid 83 and name HG12) 2.2 0.4 0.4 volume=17.727 peak=625 ppm1=0.718 ppm2=0.683
assign ( resid 98 and name HB2) ( resid 98 and name HE3) 4.6 0.9 0.9 volume=0.193 peak=3036 ppm1=1.429 ppm2=2.748
assign ( resid 120 and name HG1*) ( resid 120 and name H) 3.0 0.6 0.6 volume=2.725 peak=2369 ppm1=0.200 ppm2=7.328
assign ( resid 5 and name HB3) ( resid 5 and name HA) 3.0 0.6 0.6 volume=2.307 peak=87 ppm1=2.673 ppm2=4.670
assign ( resid 57 and name HB2) ( resid 57 and name HG3) 3.6 0.7 0.7 volume=0.881 peak=3152 ppm1=1.596 ppm2=1.161
assign ( resid 39 and name HA) ( resid 40 and name H) 3.7 0.7 0.7 volume=0.707 peak=682 ppm1=4.157 ppm2=8.616
assign ( resid 114 and name HG2) ( resid 114 and name HB3) 3.4 0.7 0.7 volume=1.296 peak=1761 ppm1=1.137 ppm2=1.768
assign ( resid 128 and name HA) ( resid 129 and name H) 4.6 0.9 0.9 volume=0.202 peak=1524 ppm1=5.038 ppm2=8.815
assign ( resid 50 and name HB3) ( resid 50 and name HD2) 4.2 0.8 0.8 volume=0.341 peak=2389 ppm1=1.341 ppm2=1.795
assign ( resid 119 and name HG2) ( resid 119 and name HA) 3.4 0.7 0.7 volume=1.129 peak=547 ppm1=2.698 ppm2=4.460
assign ( resid 69 and name HD3) ( resid 68 and name H) 5.0 1.0 1.0 volume=0.117 peak=1932 ppm1=3.652 ppm2=9.309
assign ( resid 3 and name HB2) ( resid 4 and name H) 3.7 0.7 0.7 volume=0.749 peak=1212 ppm1=1.930 ppm2=8.359
assign ( resid 112 and name HB) ( resid 112 and name H) 3.8 0.8 0.8 volume=0.584 peak=1417 ppm1=1.740 ppm2=6.727
assign ( resid 74 and name HB3) ( resid 74 and name HB2) 3.8 0.8 0.8 volume=0.573 peak=615 ppm1=1.715 ppm2=1.988
assign ( resid 67 and name HB2) ( resid 68 and name HA) 4.2 0.8 0.8 volume=0.329 peak=2476 ppm1=1.691 ppm2=4.872
assign ( resid 107 and name HA) ( resid 107 and name HB2) 4.4 0.9 0.9 volume=0.264 peak=961 ppm1=3.986 ppm2=3.367
assign ( resid 3 and name HA) ( resid 3 and name H) 3.4 0.7 0.7 volume=1.165 peak=544 ppm1=4.348 ppm2=8.408
assign ( resid 47 and name HB) ( resid 47 and name H) 4.4 0.9 0.9 volume=0.239 peak=2776 ppm1=1.958 ppm2=8.348
assign ( resid 98 and name HD2) ( resid 98 and name HA) 4.6 0.9 0.9 volume=0.204 peak=1876 ppm1=1.242 ppm2=3.100
assign ( resid 52 and name HG2) ( resid 52 and name HB3) 3.4 0.7 0.7 volume=1.268 peak=2417 ppm1=2.064 ppm2=1.832
assign ( resid 88 and name HB3) ( resid 88 and name H) 4.2 0.8 0.8 volume=0.343 peak=929 ppm1=3.327 ppm2=7.008
assign ( resid 21 and name HD3) ( resid 21 and name HG2) 2.9 0.6 0.6 volume=3.024 peak=2126 ppm1=1.601 ppm2=1.212
assign ( resid 83 and name HB) ( resid 83 and name HA) 4.8 1.0 1.0 volume=0.153 peak=2231 ppm1=1.471 ppm2=4.612
assign ( resid 94 and name HA2) ( resid 95 and name HB3) 5.0 1.0 1.0 volume=0.119 peak=725 ppm1=3.969 ppm2=2.601
assign ( resid 116 and name HD2*) ( resid 116 and name HG) 2.9 0.6 0.6 volume=3.050 peak=2657 ppm1=0.374 ppm2=1.141
assign ( resid 52 and name HG2) ( resid 52 and name HB2) 3.4 0.7 0.7 volume=1.147 peak=2970 ppm1=2.062 ppm2=1.929
assign ( resid 36 and name HD3) ( resid 36 and name HG3) 3.6 0.7 0.7 volume=0.804 peak=2167 ppm1=3.723 ppm2=2.026
assign ( resid 127 and name HB3) ( resid 127 and name HD1*) 3.5 0.7 0.7 volume=1.014 peak=1455 ppm1=1.838 ppm2=0.828
assign ( resid 63 and name HA3) ( resid 63 and name HA2) 3.2 0.6 0.6 volume=1.591 peak=2277 ppm1=4.349 ppm2=3.608
assign ( resid 64 and name HB) ( resid 64 and name HG2*) 2.9 0.6 0.6 volume=2.987 peak=719 ppm1=4.330 ppm2=1.257
assign ( resid 12 and name HB2) ( resid 12 and name HG) 4.3 0.9 0.9 volume=0.286 peak=891 ppm1=1.797 ppm2=1.451
assign ( resid 56 and name HD2*) ( resid 57 and name HA) 4.6 0.9 0.9 volume=0.185 peak=1577 ppm1=-0.591 ppm2=4.653
assign ( resid 36 and name HB3) ( resid 36 and name HG2) 3.0 0.6 0.6 volume=2.291 peak=2980 ppm1=1.994 ppm2=1.848
assign ( resid 21 and name HD2) ( resid 21 and name HG3) 3.0 0.6 0.6 volume=2.288 peak=2209 ppm1=1.751 ppm2=1.208
assign ( resid 57 and name HG2) ( resid 57 and name HD3) 3.2 0.6 0.6 volume=1.782 peak=285 ppm1=1.104 ppm2=1.487
assign ( resid 115 and name HG3) ( resid 115 and name H) 3.3 0.7 0.7 volume=1.303 peak=2152 ppm1=2.351 ppm2=6.781
assign ( resid 122 and name HB2) ( resid 123 and name HA2) 5.8 1.2 1.2 volume=0.048 peak=664 ppm1=1.687 ppm2=4.291
assign ( resid 57 and name HE3) ( resid 57 and name HD3) 2.6 0.5 0.5 volume=6.605 peak=1339 ppm1=2.769 ppm2=1.487
assign ( resid 27 and name HG) ( resid 27 and name H) 4.2 0.8 0.8 volume=0.321 peak=962 ppm1=1.529 ppm2=7.648
assign ( resid 110 and name HD2) ( resid 109 and name HB2) 4.3 0.9 0.9 volume=0.308 peak=2107 ppm1=3.820 ppm2=1.998
assign ( resid 25 and name HG1*) ( resid 26 and name H) 3.4 0.7 0.7 volume=1.132 peak=706 ppm1=0.677 ppm2=9.292
assign ( resid 56 and name HD2*) ( resid 56 and name H) 3.5 0.7 0.7 volume=0.940 peak=1435 ppm1=-0.591 ppm2=8.263
assign ( resid 98 and name HD2) ( resid 97 and name HE1) 4.9 1.0 1.0 volume=0.141 peak=1753 ppm1=1.243 ppm2=10.661
assign ( resid 27 and name HD2*) ( resid 27 and name HA) 3.0 0.6 0.6 volume=2.518 peak=377 ppm1=0.806 ppm2=4.494
assign ( resid 53 and name HB2) ( resid 52 and name HA) 6.2 1.2 1.2 volume=0.032 peak=1929 ppm1=2.602 ppm2=4.973
assign ( resid 21 and name HG3) ( resid 21 and name HE3) 3.1 0.6 0.6 volume=1.901 peak=2184 ppm1=1.204 ppm2=3.001
assign ( resid 91 and name HB2) ( resid 92 and name H) 4.0 0.8 0.8 volume=0.449 peak=2062 ppm1=1.646 ppm2=8.629
assign ( resid 113 and name HB3) ( resid 113 and name H) 5.0 1.0 1.0 volume=0.111 peak=117 ppm1=1.384 ppm2=8.563
assign ( resid 25 and name HG2*) ( resid 25 and name HB) 2.4 0.5 0.5 volume=8.892 peak=2926 ppm1=0.803 ppm2=1.918
assign ( resid 26 and name HA) ( resid 25 and name HG2*) 4.1 0.8 0.8 volume=0.372 peak=2149 ppm1=4.452 ppm2=0.804
assign ( resid 12 and name HD2*) ( resid 12 and name HB2) 3.3 0.7 0.7 volume=1.413 peak=728 ppm1=0.390 ppm2=1.801
assign ( resid 50 and name HB2) ( resid 51 and name HA) 4.7 0.9 0.9 volume=0.173 peak=656 ppm1=1.600 ppm2=4.977
assign ( resid 7 and name HA) ( resid 7 and name HB3) 4.7 0.9 0.9 volume=0.162 peak=2793 ppm1=5.072 ppm2=3.515
assign ( resid 8 and name HD1*) ( resid 8 and name H) 3.8 0.8 0.8 volume=0.580 peak=435 ppm1=0.621 ppm2=9.212
assign ( resid 119 and name HE*) ( resid 119 and name HG2) 2.8 0.6 0.6 volume=3.881 peak=2870 ppm1=2.070 ppm2=2.702
assign ( resid 106 and name HG12) ( resid 106 and name HB) 4.4 0.9 0.9 volume=0.255 peak=415 ppm1=0.818 ppm2=1.683
assign ( resid 114 and name HG2) ( resid 114 and name HA) 3.8 0.8 0.8 volume=0.631 peak=2722 ppm1=1.137 ppm2=2.837
assign ( resid 120 and name HA) ( resid 119 and name HB3) 4.9 1.0 1.0 volume=0.131 peak=2772 ppm1=3.695 ppm2=2.122
assign ( resid 22 and name HB3) ( resid 23 and name HA3) 3.5 0.7 0.7 volume=1.029 peak=1774 ppm1=2.890 ppm2=4.209
assign ( resid 120 and name HG2*) ( resid 120 and name H) 3.2 0.6 0.6 volume=1.782 peak=937 ppm1=0.576 ppm2=7.341
assign ( resid 110 and name HG3) ( resid 110 and name HB3) 3.6 0.7 0.7 volume=0.783 peak=1814 ppm1=2.359 ppm2=2.122
assign ( resid 36 and name HG2) ( resid 36 and name HD3) 4.4 0.9 0.9 volume=0.270 peak=2652 ppm1=1.844 ppm2=3.723
assign ( resid 28 and name HG2) ( resid 29 and name H) 4.4 0.9 0.9 volume=0.255 peak=1141 ppm1=1.912 ppm2=8.044
assign ( resid 17 and name HB2) ( resid 16 and name HA) 4.9 1.0 1.0 volume=0.128 peak=1251 ppm1=1.477 ppm2=4.964
assign ( resid 58 and name HA3) ( resid 59 and name H) 3.8 0.8 0.8 volume=0.642 peak=86 ppm1=3.786 ppm2=8.660
assign ( resid 55 and name HB) ( resid 55 and name HA) 3.9 0.8 0.8 volume=0.516 peak=1355 ppm1=3.746 ppm2=4.325
assign ( resid 57 and name HB3) ( resid 57 and name HG3) 3.6 0.7 0.7 volume=0.842 peak=1678 ppm1=1.406 ppm2=1.161
assign ( resid 56 and name HB2) ( resid 56 and name HG) 3.6 0.7 0.7 volume=0.833 peak=950 ppm1=1.162 ppm2=1.189
assign ( resid 109 and name HA) ( resid 110 and name HD3) 4.6 0.9 0.9 volume=0.193 peak=3103 ppm1=4.415 ppm2=3.918
assign ( resid 31 and name HD1*) ( resid 16 and name HA) 3.8 0.8 0.8 volume=0.581 peak=888 ppm1=0.436 ppm2=4.973
assign ( resid 21 and name HB2) ( resid 21 and name HD3) 3.6 0.7 0.7 volume=0.904 peak=2521 ppm1=1.105 ppm2=1.606
assign ( resid 3 and name HE*) ( resid 3 and name HG3) 3.3 0.7 0.7 volume=1.379 peak=837 ppm1=1.951 ppm2=2.414
assign ( resid 28 and name HB3) ( resid 28 and name H) 4.6 0.9 0.9 volume=0.191 peak=2362 ppm1=1.918 ppm2=8.434
assign ( resid 91 and name HB3) ( resid 91 and name HG3) 3.2 0.6 0.6 volume=1.621 peak=1148 ppm1=1.954 ppm2=2.212
assign ( resid 50 and name HD2) ( resid 50 and name HB2) 3.7 0.7 0.7 volume=0.704 peak=988 ppm1=1.791 ppm2=1.609
assign ( resid 29 and name HB) ( resid 30 and name H) 4.4 0.9 0.9 volume=0.270 peak=266 ppm1=3.962 ppm2=8.393
assign ( resid 42 and name HB*) ( resid 43 and name H) 3.2 0.6 0.6 volume=1.842 peak=1029 ppm1=1.417 ppm2=9.158
assign ( resid 22 and name HB3) ( resid 23 and name HA2) 5.3 1.1 1.1 volume=0.078 peak=390 ppm1=2.890 ppm2=3.763
assign ( resid 11 and name HA) ( resid 11 and name H) 4.4 0.9 0.9 volume=0.252 peak=93 ppm1=4.269 ppm2=8.620
assign ( resid 13 and name HA) ( resid 13 and name HB3) 3.1 0.6 0.6 volume=2.038 peak=1250 ppm1=3.985 ppm2=2.067
assign ( resid 41 and name HB2) ( resid 41 and name HD3) 3.9 0.8 0.8 volume=0.551 peak=1186 ppm1=1.845 ppm2=3.679
assign ( resid 55 and name HA) ( resid 55 and name H) 4.3 0.9 0.9 volume=0.284 peak=174 ppm1=4.323 ppm2=8.443
assign ( resid 100 and name HG3) ( resid 100 and name H) 3.8 0.8 0.8 volume=0.639 peak=409 ppm1=1.668 ppm2=8.902
assign ( resid 57 and name HB3) ( resid 58 and name H) 4.6 0.9 0.9 volume=0.196 peak=1004 ppm1=1.406 ppm2=6.493
assign ( resid 28 and name HB2) ( resid 28 and name HA) 4.1 0.8 0.8 volume=0.405 peak=2953 ppm1=1.493 ppm2=4.986
assign ( resid 17 and name HA) ( resid 18 and name HE3) 4.3 0.9 0.9 volume=0.283 peak=2932 ppm1=5.632 ppm2=7.897
assign ( resid 90 and name HD3) ( resid 91 and name H) 4.5 0.9 0.9 volume=0.237 peak=1102 ppm1=4.002 ppm2=7.029
assign ( resid 121 and name HB2) ( resid 121 and name HG3) 3.3 0.7 0.7 volume=1.322 peak=3146 ppm1=1.725 ppm2=2.391
assign ( resid 33 and name HB2) ( resid 33 and name HB3) 4.4 0.9 0.9 volume=0.249 peak=1864 ppm1=3.047 ppm2=4.543
assign ( resid 114 and name HB3) ( resid 115 and name HA) 4.5 0.9 0.9 volume=0.211 peak=2405 ppm1=1.764 ppm2=3.958
assign ( resid 114 and name HB3) ( resid 113 and name HA) 4.5 0.9 0.9 volume=0.222 peak=916 ppm1=1.764 ppm2=4.080
assign ( resid 128 and name HB) ( resid 128 and name HA) 4.6 0.9 0.9 volume=0.204 peak=554 ppm1=2.429 ppm2=5.041
assign ( resid 126 and name HG2*) ( resid 126 and name HA) 3.3 0.7 0.7 volume=1.457 peak=2806 ppm1=0.670 ppm2=4.881
assign ( resid 127 and name HG) ( resid 127 and name HB3) 3.2 0.6 0.6 volume=1.877 peak=2826 ppm1=1.732 ppm2=1.842
assign ( resid 110 and name HD2) ( resid 110 and name HB2) 4.6 0.9 0.9 volume=0.204 peak=2109 ppm1=3.820 ppm2=2.646
assign ( resid 31 and name HD1*) ( resid 18 and name HZ3) 4.8 1.0 1.0 volume=0.145 peak=2213 ppm1=0.431 ppm2=7.235
assign ( resid 121 and name HB3) ( resid 122 and name H) 4.2 0.8 0.8 volume=0.356 peak=2030 ppm1=2.068 ppm2=9.213
assign ( resid 24 and name HE2) ( resid 24 and name HB3) 2.4 0.5 0.5 volume=10.070 peak=1274 ppm1=3.021 ppm2=1.691
assign ( resid 17 and name HB2) ( resid 17 and name HG3) 4.3 0.9 0.9 volume=0.288 peak=963 ppm1=1.477 ppm2=1.779
assign ( resid 27 and name HB3) ( resid 26 and name HA) 3.7 0.7 0.7 volume=0.765 peak=15 ppm1=1.773 ppm2=4.453
assign ( resid 83 and name HG13) ( resid 83 and name HD1*) 3.4 0.7 0.7 volume=1.196 peak=674 ppm1=1.493 ppm2=0.648
assign ( resid 57 and name HG2) ( resid 57 and name HE2) 3.5 0.7 0.7 volume=1.084 peak=2601 ppm1=1.104 ppm2=2.763
assign ( resid 119 and name HG3) ( resid 119 and name HB3) 3.4 0.7 0.7 volume=1.125 peak=2895 ppm1=2.558 ppm2=2.122
assign ( resid 64 and name HG2*) ( resid 65 and name HD2) 3.0 0.6 0.6 volume=2.457 peak=2894 ppm1=1.255 ppm2=3.694
assign ( resid 98 and name HB3) ( resid 98 and name HD2) 3.8 0.8 0.8 volume=0.644 peak=471 ppm1=1.398 ppm2=1.246
assign ( resid 25 and name HG1*) ( resid 26 and name HA) 3.4 0.7 0.7 volume=1.149 peak=1777 ppm1=0.681 ppm2=4.452
assign ( resid 57 and name HB3) ( resid 57 and name HE2) 4.6 0.9 0.9 volume=0.184 peak=975 ppm1=1.406 ppm2=2.768
assign ( resid 13 and name HA) ( resid 14 and name HA) 5.4 1.1 1.1 volume=0.075 peak=1571 ppm1=3.980 ppm2=4.819
assign ( resid 32 and name HG1*) ( resid 32 and name HA) 2.8 0.6 0.6 volume=4.077 peak=2910 ppm1=1.117 ppm2=4.809
assign ( resid 120 and name HA) ( resid 121 and name HB3) 4.5 0.9 0.9 volume=0.229 peak=651 ppm1=3.695 ppm2=2.072
assign ( resid 111 and name HA) ( resid 110 and name HB2) 5.4 1.1 1.1 volume=0.072 peak=500 ppm1=3.888 ppm2=2.646
assign ( resid 21 and name HD3) ( resid 21 and name HE2) 3.1 0.6 0.6 volume=2.186 peak=678 ppm1=1.602 ppm2=3.027
assign ( resid 17 and name HE*) ( resid 19 and name HB3) 4.1 0.8 0.8 volume=0.378 peak=1622 ppm1=1.476 ppm2=2.551
assign ( resid 65 and name HG3) ( resid 65 and name HB3) 3.0 0.6 0.6 volume=2.680 peak=2459 ppm1=1.998 ppm2=1.824
assign ( resid 126 and name HG2*) ( resid 127 and name H) 3.5 0.7 0.7 volume=1.046 peak=1525 ppm1=0.671 ppm2=9.586
assign ( resid 76 and name HD1*) ( resid 76 and name HG13) 2.6 0.5 0.5 volume=5.621 peak=1221 ppm1=0.173 ppm2=0.608
assign ( resid 83 and name HG2*) ( resid 83 and name H) 3.9 0.8 0.8 volume=0.534 peak=2589 ppm1=0.719 ppm2=8.210
assign ( resid 114 and name HG2) ( resid 114 and name HD2) 3.1 0.6 0.6 volume=1.917 peak=2099 ppm1=1.137 ppm2=1.697
assign ( resid 110 and name HB2) ( resid 110 and name HG3) 3.9 0.8 0.8 volume=0.542 peak=369 ppm1=2.642 ppm2=2.363
assign ( resid 41 and name HA) ( resid 41 and name HB2) 3.6 0.7 0.7 volume=0.900 peak=699 ppm1=4.241 ppm2=1.849
assign ( resid 31 and name HG2*) ( resid 31 and name HG13) 2.9 0.6 0.6 volume=3.039 peak=1983 ppm1=0.611 ppm2=0.482
assign ( resid 125 and name HB3) ( resid 126 and name HA) 5.1 1.0 1.0 volume=0.102 peak=411 ppm1=1.905 ppm2=4.881
assign ( resid 56 and name HD1*) ( resid 56 and name HB2) 3.1 0.6 0.6 volume=2.054 peak=1914 ppm1=-0.088 ppm2=1.166
assign ( resid 28 and name HB3) ( resid 29 and name HA) 4.3 0.9 0.9 volume=0.306 peak=3055 ppm1=1.918 ppm2=4.341
assign ( resid 17 and name HE*) ( resid 17 and name HA) 3.7 0.7 0.7 volume=0.732 peak=805 ppm1=1.475 ppm2=5.631
assign ( resid 66 and name HB3) ( resid 67 and name HA) 4.6 0.9 0.9 volume=0.196 peak=552 ppm1=2.874 ppm2=4.974
assign ( resid 29 and name HG2*) ( resid 29 and name HG1) 3.1 0.6 0.6 volume=1.905 peak=886 ppm1=0.551 ppm2=5.483
assign ( resid 114 and name HB2) ( resid 115 and name H) 4.2 0.8 0.8 volume=0.356 peak=3100 ppm1=1.798 ppm2=6.781
assign ( resid 3 and name HB3) ( resid 3 and name HE*) 2.8 0.6 0.6 volume=3.937 peak=258 ppm1=1.740 ppm2=1.955
assign ( resid 69 and name HB2) ( resid 70 and name H) 3.8 0.8 0.8 volume=0.635 peak=830 ppm1=2.228 ppm2=8.651
assign ( resid 122 and name HB2) ( resid 122 and name HE3) 4.3 0.9 0.9 volume=0.301 peak=1878 ppm1=1.687 ppm2=3.098
assign ( resid 16 and name HB2) ( resid 16 and name HA) 4.5 0.9 0.9 volume=0.235 peak=2015 ppm1=2.672 ppm2=4.971
assign ( resid 114 and name HB3) ( resid 114 and name HE2) 4.5 0.9 0.9 volume=0.229 peak=1001 ppm1=1.764 ppm2=2.989
assign ( resid 24 and name HG3) ( resid 24 and name HD3) 2.5 0.5 0.5 volume=7.155 peak=1094 ppm1=1.387 ppm2=1.660
assign ( resid 12 and name HB3) ( resid 13 and name H) 4.6 0.9 0.9 volume=0.192 peak=3011 ppm1=0.937 ppm2=9.102
assign ( resid 31 and name HD1*) ( resid 31 and name HG2*) 2.3 0.5 0.5 volume=11.826 peak=632 ppm1=0.436 ppm2=0.609
assign ( resid 114 and name HG3) ( resid 114 and name H) 4.4 0.9 0.9 volume=0.267 peak=1548 ppm1=1.348 ppm2=7.497
assign ( resid 69 and name HD2) ( resid 69 and name HG3) 3.2 0.6 0.6 volume=1.607 peak=903 ppm1=3.780 ppm2=1.906
assign ( resid 56 and name HB2) ( resid 56 and name HA) 4.4 0.9 0.9 volume=0.247 peak=2587 ppm1=1.162 ppm2=4.048
assign ( resid 98 and name HA) ( resid 98 and name HE3) 4.6 0.9 0.9 volume=0.204 peak=838 ppm1=3.096 ppm2=2.748
assign ( resid 39 and name HG2) ( resid 39 and name HA) 4.0 0.8 0.8 volume=0.465 peak=1718 ppm1=1.957 ppm2=4.160
assign ( resid 42 and name HB*) ( resid 43 and name HA3) 4.2 0.8 0.8 volume=0.337 peak=1267 ppm1=1.413 ppm2=4.032
assign ( resid 7 and name HB2) ( resid 7 and name HD*) 4.1 0.8 0.8 volume=0.365 peak=1807 ppm1=2.724 ppm2=6.636
assign ( resid 31 and name HD1*) ( resid 18 and name HE3) 3.6 0.7 0.7 volume=0.918 peak=702 ppm1=0.438 ppm2=7.905
assign ( resid 96 and name HA) ( resid 97 and name H) 5.0 1.0 1.0 volume=0.121 peak=1042 ppm1=3.872 ppm2=9.571
assign ( resid 24 and name HB3) ( resid 24 and name HG3) 2.9 0.6 0.6 volume=2.798 peak=2450 ppm1=1.687 ppm2=1.391
assign ( resid 122 and name HG2) ( resid 122 and name HB3) 3.4 0.7 0.7 volume=1.114 peak=175 ppm1=1.387 ppm2=1.678
assign ( resid 119 and name HE*) ( resid 116 and name H) 3.5 0.7 0.7 volume=0.960 peak=1284 ppm1=2.074 ppm2=8.637
assign ( resid 100 and name HG2) ( resid 100 and name HE) 4.1 0.8 0.8 volume=0.389 peak=2185 ppm1=1.651 ppm2=7.196
assign ( resid 62 and name HB3) ( resid 63 and name HA2) 4.9 1.0 1.0 volume=0.139 peak=16 ppm1=3.093 ppm2=3.606
assign ( resid 81 and name HB) ( resid 82 and name HA2) 4.6 0.9 0.9 volume=0.188 peak=2229 ppm1=1.600 ppm2=3.673
assign ( resid 67 and name HG2) ( resid 67 and name HB3) 2.9 0.6 0.6 volume=2.940 peak=466 ppm1=1.889 ppm2=1.735
assign ( resid 89 and name HA) ( resid 90 and name HB2) 4.4 0.9 0.9 volume=0.252 peak=83 ppm1=5.165 ppm2=2.300
assign ( resid 31 and name HD1*) ( resid 31 and name HG12) 2.8 0.6 0.6 volume=3.636 peak=421 ppm1=0.436 ppm2=0.797
assign ( resid 120 and name HG1*) ( resid 7 and name H) 4.2 0.8 0.8 volume=0.360 peak=971 ppm1=0.198 ppm2=8.635
assign ( resid 56 and name HD2*) ( resid 66 and name HE*) 4.7 0.9 0.9 volume=0.181 peak=1424 ppm1=-0.590 ppm2=6.029
assign ( resid 21 and name HD3) ( resid 21 and name H) 4.7 0.9 0.9 volume=0.177 peak=696 ppm1=1.602 ppm2=8.453
assign ( resid 57 and name HB3) ( resid 56 and name HA) 4.8 1.0 1.0 volume=0.143 peak=847 ppm1=1.406 ppm2=4.048
assign ( resid 96 and name HB3) ( resid 96 and name HD1*) 3.8 0.8 0.8 volume=0.644 peak=1836 ppm1=2.098 ppm2=0.625
assign ( resid 125 and name HD3) ( resid 125 and name HD2) 4.0 0.8 0.8 volume=0.426 peak=607 ppm1=4.298 ppm2=4.454
assign ( resid 69 and name HD3) ( resid 68 and name HA) 3.5 0.7 0.7 volume=1.079 peak=26 ppm1=3.652 ppm2=4.872
assign ( resid 110 and name HD3) ( resid 110 and name HB3) 4.9 1.0 1.0 volume=0.141 peak=2491 ppm1=3.914 ppm2=2.122
assign ( resid 17 and name HA) ( resid 128 and name HA) 4.7 0.9 0.9 volume=0.165 peak=721 ppm1=5.626 ppm2=5.036
assign ( resid 114 and name HB2) ( resid 114 and name HG3) 3.7 0.7 0.7 volume=0.686 peak=1106 ppm1=1.798 ppm2=1.352
assign ( resid 3 and name HE*) ( resid 3 and name HB3) 3.2 0.6 0.6 volume=1.635 peak=1922 ppm1=1.951 ppm2=1.744
assign ( resid 114 and name HA) ( resid 114 and name HG3) 3.6 0.7 0.7 volume=0.797 peak=590 ppm1=2.843 ppm2=1.352
assign ( resid 98 and name HB3) ( resid 98 and name H) 4.2 0.8 0.8 volume=0.352 peak=2986 ppm1=1.399 ppm2=6.528
assign ( resid 106 and name HA) ( resid 106 and name HG2*) 3.5 0.7 0.7 volume=1.039 peak=2414 ppm1=3.902 ppm2=0.634
assign ( resid 113 and name HE*) ( resid 84 and name HB3) 3.3 0.7 0.7 volume=1.498 peak=459 ppm1=2.075 ppm2=3.721
assign ( resid 21 and name HB3) ( resid 22 and name H) 4.4 0.9 0.9 volume=0.237 peak=3010 ppm1=1.520 ppm2=8.656
assign ( resid 39 and name HG3) ( resid 38 and name HA) 4.4 0.9 0.9 volume=0.271 peak=2935 ppm1=1.815 ppm2=4.574
assign ( resid 71 and name HB3) ( resid 71 and name HD22) 4.0 0.8 0.8 volume=0.426 peak=2962 ppm1=2.392 ppm2=6.924
assign ( resid 12 and name HD2*) ( resid 40 and name HG2*) 3.0 0.6 0.6 volume=2.353 peak=2398 ppm1=0.392 ppm2=1.122
assign ( resid 21 and name HG2) ( resid 21 and name HD3) 3.0 0.6 0.6 volume=2.610 peak=722 ppm1=1.215 ppm2=1.606
assign ( resid 106 and name HG2*) ( resid 106 and name HD1*) 2.2 0.4 0.4 volume=18.006 peak=2449 ppm1=0.630 ppm2=0.602
assign ( resid 126 and name HG1*) ( resid 126 and name H) 3.6 0.7 0.7 volume=0.911 peak=38 ppm1=0.835 ppm2=8.474
assign ( resid 35 and name HG3) ( resid 35 and name HD3) 3.7 0.7 0.7 volume=0.706 peak=40 ppm1=1.177 ppm2=1.396
assign ( resid 100 and name HG3) ( resid 100 and name HD3) 3.5 0.7 0.7 volume=1.023 peak=1825 ppm1=1.668 ppm2=3.107
assign ( resid 90 and name HG2) ( resid 90 and name HB2) 3.5 0.7 0.7 volume=1.012 peak=3107 ppm1=1.952 ppm2=2.301
assign ( resid 21 and name HB2) ( resid 20 and name HA) 4.4 0.9 0.9 volume=0.259 peak=98 ppm1=1.105 ppm2=4.453
assign ( resid 81 and name HG1*) ( resid 81 and name HB) 3.1 0.6 0.6 volume=2.049 peak=66 ppm1=0.753 ppm2=1.613
assign ( resid 4 and name HA) ( resid 4 and name HG2) 3.0 0.6 0.6 volume=2.372 peak=1467 ppm1=4.303 ppm2=2.233
assign ( resid 24 and name HB3) ( resid 25 and name H) 3.7 0.7 0.7 volume=0.661 peak=2693 ppm1=1.690 ppm2=8.686
assign ( resid 39 and name HD3) ( resid 38 and name H) 4.3 0.9 0.9 volume=0.286 peak=2234 ppm1=3.386 ppm2=7.704
assign ( resid 52 and name HB2) ( resid 52 and name H) 4.0 0.8 0.8 volume=0.436 peak=1351 ppm1=1.925 ppm2=8.698
assign ( resid 24 and name HG2) ( resid 24 and name HA) 3.0 0.6 0.6 volume=2.540 peak=1488 ppm1=1.397 ppm2=4.755
assign ( resid 63 and name HA3) ( resid 59 and name HG2*) 3.7 0.7 0.7 volume=0.686 peak=3157 ppm1=4.350 ppm2=1.128
assign ( resid 113 and name HB2) ( resid 113 and name HG2) 4.0 0.8 0.8 volume=0.428 peak=2400 ppm1=2.168 ppm2=2.175
assign ( resid 19 and name HA) ( resid 9 and name H) 4.7 0.9 0.9 volume=0.163 peak=946 ppm1=5.366 ppm2=9.747
assign ( resid 100 and name HB3) ( resid 100 and name HG2) 3.2 0.6 0.6 volume=1.597 peak=1357 ppm1=1.483 ppm2=1.660
assign ( resid 41 and name HG3) ( resid 41 and name HA) 4.7 0.9 0.9 volume=0.175 peak=1540 ppm1=1.970 ppm2=4.245
assign ( resid 121 and name HG3) ( resid 121 and name HB3) 2.9 0.6 0.6 volume=2.836 peak=2594 ppm1=2.388 ppm2=2.072
assign ( resid 112 and name HA) ( resid 113 and name HB2) 4.2 0.8 0.8 volume=0.348 peak=2919 ppm1=3.840 ppm2=2.172
assign ( resid 73 and name HB3) ( resid 73 and name H) 4.9 1.0 1.0 volume=0.134 peak=1818 ppm1=2.878 ppm2=9.052
assign ( resid 6 and name HB) ( resid 7 and name H) 4.4 0.9 0.9 volume=0.248 peak=102 ppm1=4.189 ppm2=8.632
assign ( resid 22 and name HB2) ( resid 23 and name H) 4.7 0.9 0.9 volume=0.168 peak=1143 ppm1=2.673 ppm2=8.839
assign ( resid 8 and name HG12) ( resid 124 and name HG2*) 4.4 0.9 0.9 volume=0.242 peak=605 ppm1=0.911 ppm2=1.570
assign ( resid 71 and name HB2) ( resid 71 and name HD21) 4.0 0.8 0.8 volume=0.472 peak=2914 ppm1=1.734 ppm2=7.443
assign ( resid 113 and name HE*) ( resid 113 and name HA) 3.6 0.7 0.7 volume=0.805 peak=199 ppm1=2.071 ppm2=4.080
assign ( resid 69 and name HB2) ( resid 69 and name HA) 3.3 0.7 0.7 volume=1.458 peak=2780 ppm1=2.228 ppm2=4.919
assign ( resid 116 and name HD2*) ( resid 19 and name HD*) 3.4 0.7 0.7 volume=1.171 peak=890 ppm1=0.371 ppm2=6.861
assign ( resid 91 and name HA) ( resid 92 and name HB3) 4.9 1.0 1.0 volume=0.125 peak=3025 ppm1=4.547 ppm2=2.564
assign ( resid 2 and name HA) ( resid 2 and name HB2) 4.0 0.8 0.8 volume=0.434 peak=2864 ppm1=4.628 ppm2=3.056
assign ( resid 119 and name HE*) ( resid 27 and name HD1*) 2.5 0.5 0.5 volume=8.017 peak=822 ppm1=2.074 ppm2=0.643
assign ( resid 32 and name HG2*) ( resid 32 and name HA) 3.0 0.6 0.6 volume=2.458 peak=1592 ppm1=1.009 ppm2=4.809
assign ( resid 97 and name HA) ( resid 97 and name HB2) 4.3 0.9 0.9 volume=0.302 peak=1631 ppm1=3.741 ppm2=3.215
assign ( resid 87 and name HB2) ( resid 87 and name H) 3.8 0.8 0.8 volume=0.608 peak=145 ppm1=2.958 ppm2=9.674
assign ( resid 65 and name HB2) ( resid 65 and name HA) 3.2 0.6 0.6 volume=1.592 peak=96 ppm1=2.232 ppm2=4.959
assign ( resid 98 and name HE2) ( resid 98 and name HB3) 3.9 0.8 0.8 volume=0.540 peak=3078 ppm1=2.731 ppm2=1.402
assign ( resid 90 and name HB2) ( resid 90 and name HD2) 4.2 0.8 0.8 volume=0.334 peak=1137 ppm1=2.296 ppm2=4.092
assign ( resid 125 and name HB2) ( resid 125 and name HA) 3.7 0.7 0.7 volume=0.756 peak=396 ppm1=2.306 ppm2=4.467
assign ( resid 55 and name HA) ( resid 70 and name H) 3.9 0.8 0.8 volume=0.500 peak=1323 ppm1=4.327 ppm2=8.645
assign ( resid 17 and name HE*) ( resid 116 and name HG) 3.9 0.8 0.8 volume=0.521 peak=2238 ppm1=1.475 ppm2=1.139
assign ( resid 95 and name HA) ( resid 94 and name HA3) 4.6 0.9 0.9 volume=0.191 peak=1492 ppm1=5.156 ppm2=3.873
assign ( resid 19 and name HA) ( resid 19 and name HD*) 3.8 0.8 0.8 volume=0.575 peak=155 ppm1=5.369 ppm2=6.865
assign ( resid 104 and name HA2) ( resid 103 and name HB3) 3.5 0.7 0.7 volume=1.035 peak=541 ppm1=4.372 ppm2=3.589
assign ( resid 126 and name HG1*) ( resid 127 and name H) 3.7 0.7 0.7 volume=0.689 peak=1419 ppm1=0.835 ppm2=9.589
assign ( resid 98 and name HE2) ( resid 98 and name HD2) 3.1 0.6 0.6 volume=2.031 peak=1189 ppm1=2.731 ppm2=1.246
assign ( resid 79 and name HB) ( resid 79 and name HG2*) 3.8 0.8 0.8 volume=0.660 peak=3068 ppm1=4.379 ppm2=0.870
assign ( resid 120 and name HG1*) ( resid 19 and name HE*) 3.5 0.7 0.7 volume=1.046 peak=1663 ppm1=0.199 ppm2=6.501
assign ( resid 4 and name HG3) ( resid 4 and name HB2) 2.4 0.5 0.5 volume=10.332 peak=309 ppm1=2.221 ppm2=2.057
assign ( resid 14 and name HB3) ( resid 15 and name H) 4.9 1.0 1.0 volume=0.132 peak=1462 ppm1=2.264 ppm2=8.041
assign ( resid 122 and name HD3) ( resid 122 and name HG2) 3.5 0.7 0.7 volume=1.044 peak=2837 ppm1=1.805 ppm2=1.390
assign ( resid 36 and name HA) ( resid 36 and name HD3) 4.5 0.9 0.9 volume=0.211 peak=463 ppm1=4.378 ppm2=3.727
assign ( resid 25 and name HG1*) ( resid 25 and name H) 2.8 0.6 0.6 volume=3.741 peak=3082 ppm1=0.680 ppm2=8.689
assign ( resid 111 and name HA) ( resid 110 and name HA) 3.9 0.8 0.8 volume=0.490 peak=3048 ppm1=3.888 ppm2=3.998
assign ( resid 17 and name HB2) ( resid 18 and name H) 5.0 1.0 1.0 volume=0.117 peak=2674 ppm1=1.477 ppm2=9.645
assign ( resid 35 and name HD2) ( resid 35 and name HE2) 3.3 0.7 0.7 volume=1.434 peak=1165 ppm1=1.598 ppm2=2.921
assign ( resid 17 and name HG3) ( resid 17 and name H) 4.9 1.0 1.0 volume=0.130 peak=1908 ppm1=1.775 ppm2=8.303
assign ( resid 76 and name HG2*) ( resid 83 and name HA) 4.5 0.9 0.9 volume=0.222 peak=1781 ppm1=0.655 ppm2=4.617
assign ( resid 8 and name HG2*) ( resid 18 and name H) 3.8 0.8 0.8 volume=0.573 peak=381 ppm1=0.867 ppm2=9.632
assign ( resid 110 and name HB3) ( resid 111 and name H) 5.0 1.0 1.0 volume=0.123 peak=2232 ppm1=2.118 ppm2=8.916
assign ( resid 115 and name HA) ( resid 114 and name HB2) 4.4 0.9 0.9 volume=0.261 peak=546 ppm1=3.954 ppm2=1.802
assign ( resid 116 and name HD2*) ( resid 116 and name HA) 3.0 0.6 0.6 volume=2.637 peak=2504 ppm1=0.373 ppm2=3.545
assign ( resid 114 and name HB2) ( resid 114 and name HA) 3.9 0.8 0.8 volume=0.504 peak=1880 ppm1=1.797 ppm2=2.844
assign ( resid 106 and name HD1*) ( resid 106 and name H) 3.6 0.7 0.7 volume=0.858 peak=2157 ppm1=0.598 ppm2=8.582
assign ( resid 47 and name HG2*) ( resid 48 and name H) 3.5 0.7 0.7 volume=0.976 peak=2295 ppm1=0.745 ppm2=8.351
assign ( resid 121 and name HG2) ( resid 121 and name HA) 3.1 0.6 0.6 volume=2.041 peak=2170 ppm1=2.239 ppm2=4.429
assign ( resid 106 and name HG2*) ( resid 107 and name H) 3.8 0.8 0.8 volume=0.645 peak=1708 ppm1=0.632 ppm2=8.905
assign ( resid 56 and name HB2) ( resid 56 and name HD2*) 4.0 0.8 0.8 volume=0.417 peak=1688 ppm1=1.162 ppm2=-0.593
assign ( resid 118 and name HA3) ( resid 119 and name H) 4.1 0.8 0.8 volume=0.413 peak=1345 ppm1=3.932 ppm2=7.357
assign ( resid 72 and name HB3) ( resid 72 and name H) 4.6 0.9 0.9 volume=0.186 peak=2081 ppm1=2.463 ppm2=10.282
assign ( resid 127 and name HD2*) ( resid 127 and name HA) 3.3 0.7 0.7 volume=1.460 peak=2724 ppm1=0.794 ppm2=5.021
assign ( resid 120 and name HG1*) ( resid 47 and name HB) 3.4 0.7 0.7 volume=1.107 peak=1238 ppm1=0.199 ppm2=1.964
assign ( resid 98 and name HG2) ( resid 98 and name HB3) 4.5 0.9 0.9 volume=0.212 peak=1621 ppm1=-0.181 ppm2=1.402
assign ( resid 128 and name HG1*) ( resid 128 and name H) 3.7 0.7 0.7 volume=0.768 peak=693 ppm1=0.807 ppm2=9.071
assign ( resid 71 and name HB3) ( resid 71 and name HA) 3.9 0.8 0.8 volume=0.507 peak=2686 ppm1=2.392 ppm2=4.322
assign ( resid 114 and name HD2) ( resid 114 and name HA) 4.0 0.8 0.8 volume=0.448 peak=2595 ppm1=1.693 ppm2=2.842
assign ( resid 122 and name HG3) ( resid 122 and name HD3) 3.5 0.7 0.7 volume=0.987 peak=2694 ppm1=1.053 ppm2=1.808
assign ( resid 83 and name HB) ( resid 84 and name H) 4.7 0.9 0.9 volume=0.167 peak=1576 ppm1=1.472 ppm2=8.048
assign ( resid 35 and name HE2) ( resid 35 and name HB3) 3.8 0.8 0.8 volume=0.603 peak=2570 ppm1=2.917 ppm2=1.504
assign ( resid 49 and name HB3) ( resid 49 and name HD22) 4.9 1.0 1.0 volume=0.140 peak=1496 ppm1=1.987 ppm2=7.239
assign ( resid 52 and name HB3) ( resid 53 and name H) 4.2 0.8 0.8 volume=0.331 peak=3116 ppm1=1.822 ppm2=8.344
assign ( resid 99 and name HB) ( resid 99 and name HG2*) 2.7 0.5 0.5 volume=4.521 peak=2497 ppm1=4.155 ppm2=1.080
assign ( resid 89 and name HA) ( resid 88 and name HA) 5.3 1.1 1.1 volume=0.083 peak=18 ppm1=5.165 ppm2=4.646
assign ( resid 13 and name HG3) ( resid 13 and name HB3) 2.5 0.5 0.5 volume=8.338 peak=1795 ppm1=2.258 ppm2=2.065
assign ( resid 112 and name HA) ( resid 111 and name HB2) 3.1 0.6 0.6 volume=1.985 peak=248 ppm1=3.840 ppm2=3.893
assign ( resid 56 and name HB2) ( resid 56 and name H) 4.7 0.9 0.9 volume=0.181 peak=3019 ppm1=1.162 ppm2=8.260
assign ( resid 122 and name HB3) ( resid 122 and name HD2) 3.3 0.7 0.7 volume=1.440 peak=267 ppm1=1.674 ppm2=1.789
assign ( resid 65 and name HD2) ( resid 64 and name HA) 3.3 0.7 0.7 volume=1.372 peak=3168 ppm1=3.695 ppm2=4.569
assign ( resid 55 and name HB) ( resid 55 and name HG2*) 2.8 0.6 0.6 volume=3.445 peak=2795 ppm1=3.747 ppm2=0.819
assign ( resid 9 and name HA) ( resid 8 and name HA) 4.9 1.0 1.0 volume=0.128 peak=3072 ppm1=5.764 ppm2=5.301
assign ( resid 119 and name HG2) ( resid 19 and name HE*) 4.2 0.8 0.8 volume=0.328 peak=1256 ppm1=2.707 ppm2=6.502
assign ( resid 109 and name HB3) ( resid 109 and name HG2) 4.0 0.8 0.8 volume=0.474 peak=2050 ppm1=1.331 ppm2=1.387
assign ( resid 90 and name HB2) ( resid 90 and name HG2) 3.0 0.6 0.6 volume=2.763 peak=2350 ppm1=2.296 ppm2=1.957
assign ( resid 119 and name HG2) ( resid 119 and name HB2) 3.6 0.7 0.7 volume=0.900 peak=2740 ppm1=2.699 ppm2=1.966
assign ( resid 24 and name HG3) ( resid 25 and name H) 3.5 0.7 0.7 volume=0.922 peak=2468 ppm1=1.387 ppm2=8.691
assign ( resid 95 and name HB3) ( resid 95 and name HA) 3.8 0.8 0.8 volume=0.613 peak=676 ppm1=2.598 ppm2=5.153
assign ( resid 116 and name HG) ( resid 116 and name HD1*) 3.4 0.7 0.7 volume=1.113 peak=2689 ppm1=1.137 ppm2=0.607
assign ( resid 108 and name HB) ( resid 108 and name HA) 4.4 0.9 0.9 volume=0.241 peak=1338 ppm1=3.403 ppm2=4.422
assign ( resid 113 and name HE*) ( resid 84 and name HA) 3.1 0.6 0.6 volume=1.950 peak=2053 ppm1=2.074 ppm2=5.595
assign ( resid 120 and name HG1*) ( resid 8 and name HA) 4.5 0.9 0.9 volume=0.236 peak=2106 ppm1=0.201 ppm2=5.282
assign ( resid 31 and name HG2*) ( resid 31 and name HB) 3.2 0.6 0.6 volume=1.586 peak=2636 ppm1=0.612 ppm2=1.851
assign ( resid 110 and name HA) ( resid 111 and name HA) 4.3 0.9 0.9 volume=0.275 peak=1239 ppm1=3.994 ppm2=3.892
assign ( resid 120 and name HG1*) ( resid 120 and name HB) 2.8 0.6 0.6 volume=3.591 peak=2020 ppm1=0.199 ppm2=1.463
assign ( resid 12 and name HD2*) ( resid 33 and name HB2) 3.6 0.7 0.7 volume=0.874 peak=2044 ppm1=0.392 ppm2=3.055
assign ( resid 6 and name HB) ( resid 6 and name H) 3.9 0.8 0.8 volume=0.514 peak=1682 ppm1=4.188 ppm2=7.723
assign ( resid 44 and name HB) ( resid 44 and name HA) 3.8 0.8 0.8 volume=0.601 peak=2851 ppm1=1.788 ppm2=4.411
assign ( resid 21 and name HG2) ( resid 21 and name HB3) 3.0 0.6 0.6 volume=2.403 peak=2088 ppm1=1.215 ppm2=1.524
assign ( resid 35 and name HG2) ( resid 35 and name HE3) 4.4 0.9 0.9 volume=0.259 peak=2576 ppm1=1.594 ppm2=2.836
assign ( resid 73 and name HA) ( resid 73 and name HB2) 4.8 1.0 1.0 volume=0.156 peak=635 ppm1=5.714 ppm2=3.065
assign ( resid 124 and name HB) ( resid 124 and name HG2*) 3.8 0.8 0.8 volume=0.639 peak=3096 ppm1=3.809 ppm2=1.575
assign ( resid 50 and name HB2) ( resid 50 and name HA) 4.3 0.9 0.9 volume=0.306 peak=980 ppm1=1.605 ppm2=4.772
assign ( resid 109 and name HB2) ( resid 108 and name HA) 4.0 0.8 0.8 volume=0.429 peak=1746 ppm1=1.994 ppm2=4.419
assign ( resid 17 and name HE*) ( resid 17 and name HB2) 3.5 0.7 0.7 volume=0.978 peak=2076 ppm1=1.476 ppm2=1.476
assign ( resid 80 and name HA3) ( resid 80 and name H) 4.1 0.8 0.8 volume=0.378 peak=2588 ppm1=3.839 ppm2=7.644
assign ( resid 24 and name HB2) ( resid 23 and name HA3) 4.9 1.0 1.0 volume=0.136 peak=2349 ppm1=1.763 ppm2=4.209
assign ( resid 122 and name HG3) ( resid 122 and name HA) 4.3 0.9 0.9 volume=0.288 peak=1925 ppm1=1.053 ppm2=3.694
assign ( resid 82 and name HA3) ( resid 83 and name H) 4.7 0.9 0.9 volume=0.160 peak=1652 ppm1=4.188 ppm2=8.218
assign ( resid 76 and name HD1*) ( resid 126 and name HB) 3.8 0.8 0.8 volume=0.647 peak=2878 ppm1=0.172 ppm2=1.807
assign ( resid 25 and name HA) ( resid 25 and name H) 4.1 0.8 0.8 volume=0.373 peak=1550 ppm1=3.252 ppm2=8.686
assign ( resid 70 and name HG2*) ( resid 56 and name HD2*) 3.3 0.7 0.7 volume=1.385 peak=520 ppm1=0.620 ppm2=-0.588
assign ( resid 119 and name HB3) ( resid 119 and name HA) 3.4 0.7 0.7 volume=1.125 peak=2286 ppm1=2.118 ppm2=4.456
assign ( resid 106 and name HG13) ( resid 106 and name HG2*) 3.2 0.6 0.6 volume=1.684 peak=271 ppm1=1.312 ppm2=0.634
assign ( resid 59 and name HB) ( resid 58 and name HA2) 4.2 0.8 0.8 volume=0.337 peak=1834 ppm1=3.851 ppm2=3.293
assign ( resid 46 and name HB2) ( resid 46 and name H) 5.6 1.1 1.1 volume=0.062 peak=2538 ppm1=2.303 ppm2=7.928
assign ( resid 96 and name HB2) ( resid 97 and name H) 5.0 1.0 1.0 volume=0.122 peak=2562 ppm1=1.119 ppm2=9.571
assign ( resid 106 and name HB) ( resid 106 and name HG12) 4.3 0.9 0.9 volume=0.307 peak=2760 ppm1=1.679 ppm2=0.822
assign ( resid 27 and name HD1*) ( resid 27 and name HB2) 3.0 0.6 0.6 volume=2.562 peak=1766 ppm1=0.644 ppm2=1.393
assign ( resid 109 and name HB2) ( resid 109 and name HA) 4.0 0.8 0.8 volume=0.429 peak=2032 ppm1=1.994 ppm2=4.416
assign ( resid 35 and name HB2) ( resid 35 and name HE2) 5.4 1.1 1.1 volume=0.076 peak=1269 ppm1=2.125 ppm2=2.921
assign ( resid 17 and name HE*) ( resid 18 and name H) 4.0 0.8 0.8 volume=0.458 peak=3108 ppm1=1.475 ppm2=9.643
assign ( resid 58 and name HA2) ( resid 59 and name HA) 4.6 0.9 0.9 volume=0.188 peak=1048 ppm1=3.289 ppm2=4.771
assign ( resid 35 and name HA) ( resid 36 and name HD3) 4.6 0.9 0.9 volume=0.203 peak=2236 ppm1=5.117 ppm2=3.717
assign ( resid 47 and name HG1*) ( resid 47 and name HB) 3.0 0.6 0.6 volume=2.459 peak=416 ppm1=0.694 ppm2=1.962
assign ( resid 21 and name HD2) ( resid 21 and name HB2) 3.7 0.7 0.7 volume=0.726 peak=2102 ppm1=1.751 ppm2=1.109
assign ( resid 39 and name HG3) ( resid 39 and name HD3) 3.6 0.7 0.7 volume=0.845 peak=2224 ppm1=1.815 ppm2=3.390
assign ( resid 10 and name HB) ( resid 10 and name HA) 4.5 0.9 0.9 volume=0.221 peak=1732 ppm1=2.145 ppm2=4.531
assign ( resid 36 and name HD3) ( resid 36 and name HD2) 4.3 0.9 0.9 volume=0.310 peak=2016 ppm1=3.722 ppm2=4.024
assign ( resid 66 and name HB3) ( resid 65 and name HA) 4.1 0.8 0.8 volume=0.362 peak=3044 ppm1=2.874 ppm2=4.960
assign ( resid 116 and name HA) ( resid 116 and name HB2) 4.3 0.9 0.9 volume=0.291 peak=2949 ppm1=3.551 ppm2=1.763
assign ( resid 111 and name HB3) ( resid 111 and name HA) 3.0 0.6 0.6 volume=2.461 peak=2383 ppm1=4.113 ppm2=3.892
assign ( resid 128 and name HA) ( resid 128 and name HG1*) 4.0 0.8 0.8 volume=0.467 peak=2966 ppm1=5.037 ppm2=0.811
assign ( resid 120 and name HB) ( resid 119 and name HA) 4.6 0.9 0.9 volume=0.192 peak=1889 ppm1=1.456 ppm2=4.456
assign ( resid 116 and name HB3) ( resid 116 and name H) 4.2 0.8 0.8 volume=0.343 peak=2250 ppm1=1.220 ppm2=8.637
assign ( resid 65 and name HA) ( resid 66 and name H) 4.5 0.9 0.9 volume=0.232 peak=1970 ppm1=4.960 ppm2=8.083
assign ( resid 13 and name HG2) ( resid 13 and name H) 3.5 0.7 0.7 volume=1.075 peak=1295 ppm1=2.346 ppm2=9.099
assign ( resid 122 and name HD3) ( resid 122 and name HE3) 4.0 0.8 0.8 volume=0.447 peak=1318 ppm1=1.804 ppm2=3.098
assign ( resid 25 and name HG2*) ( resid 26 and name H) 3.1 0.6 0.6 volume=2.227 peak=1963 ppm1=0.807 ppm2=9.290
assign ( resid 41 and name HD3) ( resid 41 and name HG2) 4.4 0.9 0.9 volume=0.246 peak=2225 ppm1=3.675 ppm2=1.726
assign ( resid 96 and name HB3) ( resid 96 and name HA) 4.1 0.8 0.8 volume=0.362 peak=2544 ppm1=2.099 ppm2=3.876
assign ( resid 46 and name HB2) ( resid 46 and name HA) 4.9 1.0 1.0 volume=0.139 peak=2181 ppm1=2.301 ppm2=5.162
assign ( resid 8 and name HD1*) ( resid 8 and name HB) 3.0 0.6 0.6 volume=2.741 peak=1984 ppm1=0.626 ppm2=1.885
assign ( resid 67 and name HA) ( resid 68 and name H) 4.8 1.0 1.0 volume=0.145 peak=1847 ppm1=4.970 ppm2=9.309
assign ( resid 2 and name HB2) ( resid 3 and name H) 4.6 0.9 0.9 volume=0.189 peak=1895 ppm1=3.037 ppm2=8.397
assign ( resid 40 and name HA) ( resid 41 and name HA) 5.0 1.0 1.0 volume=0.122 peak=3101 ppm1=4.381 ppm2=4.245
assign ( resid 112 and name HB) ( resid 112 and name HA) 3.8 0.8 0.8 volume=0.655 peak=20 ppm1=1.740 ppm2=3.844
assign ( resid 31 and name HD1*) ( resid 31 and name HB) 3.2 0.6 0.6 volume=1.743 peak=119 ppm1=0.436 ppm2=1.849
assign ( resid 122 and name HE3) ( resid 122 and name HG2) 3.8 0.8 0.8 volume=0.660 peak=1342 ppm1=3.094 ppm2=1.391
assign ( resid 113 and name HE*) ( resid 85 and name H) 3.4 0.7 0.7 volume=1.286 peak=1831 ppm1=2.075 ppm2=10.284
assign ( resid 4 and name HB2) ( resid 5 and name H) 3.7 0.7 0.7 volume=0.717 peak=2867 ppm1=2.054 ppm2=8.411
assign ( resid 115 and name HB2) ( resid 116 and name HA) 4.5 0.9 0.9 volume=0.214 peak=2668 ppm1=1.998 ppm2=3.554
assign ( resid 70 and name HG1*) ( resid 56 and name HG) 3.2 0.6 0.6 volume=1.604 peak=335 ppm1=1.013 ppm2=1.184
assign ( resid 109 and name HD2) ( resid 109 and name HG3) 5.1 1.0 1.0 volume=0.110 peak=2456 ppm1=3.052 ppm2=-0.112
assign ( resid 114 and name HE2) ( resid 114 and name HD3) 2.4 0.5 0.5 volume=9.500 peak=1871 ppm1=2.985 ppm2=1.715
assign ( resid 25 and name HG1*) ( resid 25 and name HG2*) 2.4 0.5 0.5 volume=9.170 peak=342 ppm1=0.680 ppm2=0.804
assign ( resid 27 and name HG) ( resid 27 and name HB3) 3.1 0.6 0.6 volume=1.992 peak=1448 ppm1=1.530 ppm2=1.777
assign ( resid 10 and name HB) ( resid 9 and name HA) 5.0 1.0 1.0 volume=0.123 peak=2728 ppm1=2.145 ppm2=5.768
assign ( resid 12 and name HD1*) ( resid 12 and name H) 3.5 0.7 0.7 volume=0.929 peak=1182 ppm1=0.546 ppm2=9.543
assign ( resid 64 and name HA) ( resid 65 and name HG3) 4.4 0.9 0.9 volume=0.262 peak=1999 ppm1=4.566 ppm2=2.003
assign ( resid 31 and name HG13) ( resid 31 and name HB) 4.2 0.8 0.8 volume=0.327 peak=2711 ppm1=0.479 ppm2=1.857
assign ( resid 117 and name HA) ( resid 117 and name HB3) 4.0 0.8 0.8 volume=0.450 peak=1411 ppm1=3.716 ppm2=2.537
assign ( resid 37 and name HB) ( resid 37 and name HG2*) 3.0 0.6 0.6 volume=2.569 peak=1800 ppm1=4.424 ppm2=1.287
assign ( resid 14 and name HB3) ( resid 14 and name HB2) 3.6 0.7 0.7 volume=0.881 peak=286 ppm1=2.269 ppm2=2.853
assign ( resid 97 and name HB3) ( resid 97 and name H) 5.0 1.0 1.0 volume=0.115 peak=2183 ppm1=3.088 ppm2=9.566
assign ( resid 110 and name HA) ( resid 110 and name HB3) 3.7 0.7 0.7 volume=0.691 peak=1611 ppm1=3.994 ppm2=2.122
assign ( resid 35 and name HD2) ( resid 35 and name HB3) 3.1 0.6 0.6 volume=1.882 peak=2799 ppm1=1.598 ppm2=1.504
assign ( resid 4 and name HB2) ( resid 4 and name HG2) 2.7 0.5 0.5 volume=5.130 peak=2290 ppm1=2.054 ppm2=2.235
assign ( resid 98 and name HD3) ( resid 98 and name HB3) 3.3 0.7 0.7 volume=1.512 peak=1681 ppm1=1.257 ppm2=1.402
assign ( resid 61 and name HA) ( resid 61 and name HB2) 2.9 0.6 0.6 volume=2.908 peak=2010 ppm1=4.392 ppm2=2.708
assign ( resid 56 and name HA) ( resid 57 and name HA) 5.1 1.0 1.0 volume=0.109 peak=2344 ppm1=4.044 ppm2=4.646
assign ( resid 17 and name HE*) ( resid 17 and name HG3) 3.0 0.6 0.6 volume=2.767 peak=1887 ppm1=1.474 ppm2=1.782
assign ( resid 27 and name HA) ( resid 27 and name HB2) 4.0 0.8 0.8 volume=0.418 peak=1067 ppm1=4.489 ppm2=1.403
assign ( resid 44 and name HG1*) ( resid 46 and name HD*) 4.0 0.8 0.8 volume=0.465 peak=2908 ppm1=0.768 ppm2=6.937
assign ( resid 19 and name HA) ( resid 19 and name HB3) 4.1 0.8 0.8 volume=0.375 peak=2609 ppm1=5.369 ppm2=2.567
assign ( resid 25 and name HB) ( resid 25 and name HG1*) 2.9 0.6 0.6 volume=2.868 peak=2124 ppm1=1.914 ppm2=0.671
assign ( resid 50 and name HB2) ( resid 51 and name H) 5.2 1.0 1.0 volume=0.095 peak=283 ppm1=1.605 ppm2=9.566
assign ( resid 6 and name HA) ( resid 5 and name HB3) 4.5 0.9 0.9 volume=0.230 peak=1946 ppm1=5.212 ppm2=2.677
assign ( resid 114 and name HD2) ( resid 114 and name HB2) 3.0 0.6 0.6 volume=2.326 peak=1336 ppm1=1.693 ppm2=1.802
assign ( resid 69 and name HD2) ( resid 69 and name HB3) 3.2 0.6 0.6 volume=1.607 peak=1386 ppm1=3.780 ppm2=1.904
assign ( resid 100 and name HD3) ( resid 100 and name HE) 4.0 0.8 0.8 volume=0.439 peak=1956 ppm1=3.102 ppm2=7.189
assign ( resid 69 and name HG3) ( resid 69 and name HD3) 3.2 0.6 0.6 volume=1.592 peak=2811 ppm1=1.902 ppm2=3.646
assign ( resid 27 and name HB3) ( resid 19 and name HA) 4.7 0.9 0.9 volume=0.165 peak=2147 ppm1=1.775 ppm2=5.361
assign ( resid 57 and name HB3) ( resid 57 and name HD2) 3.4 0.7 0.7 volume=1.233 peak=1924 ppm1=1.406 ppm2=1.501
assign ( resid 17 and name HA) ( resid 17 and name HE*) 3.8 0.8 0.8 volume=0.597 peak=2434 ppm1=5.626 ppm2=1.482
assign ( resid 111 and name HA) ( resid 111 and name H) 3.7 0.7 0.7 volume=0.668 peak=376 ppm1=3.888 ppm2=8.916
assign ( resid 114 and name HD2) ( resid 114 and name HG2) 3.2 0.6 0.6 volume=1.560 peak=2515 ppm1=1.693 ppm2=1.141
assign ( resid 113 and name HE*) ( resid 51 and name H) 4.6 0.9 0.9 volume=0.194 peak=2460 ppm1=2.072 ppm2=9.558
assign ( resid 59 and name HG2*) ( resid 59 and name HB) 2.5 0.5 0.5 volume=7.341 peak=1469 ppm1=1.126 ppm2=3.855
assign ( resid 6 and name HA) ( resid 5 and name H) 5.1 1.0 1.0 volume=0.101 peak=788 ppm1=5.212 ppm2=8.421
assign ( resid 90 and name HD3) ( resid 89 and name H) 4.9 1.0 1.0 volume=0.139 peak=1416 ppm1=4.001 ppm2=7.160
assign ( resid 101 and name HA2) ( resid 102 and name H) 4.8 1.0 1.0 volume=0.145 peak=1860 ppm1=4.223 ppm2=8.532
assign ( resid 29 and name HB) ( resid 29 and name H) 4.6 0.9 0.9 volume=0.205 peak=195 ppm1=3.962 ppm2=8.044
assign ( resid 12 and name HA) ( resid 12 and name HD1*) 3.7 0.7 0.7 volume=0.706 peak=1748 ppm1=3.683 ppm2=0.547
assign ( resid 116 and name HG) ( resid 120 and name HG1*) 3.9 0.8 0.8 volume=0.538 peak=536 ppm1=1.136 ppm2=0.200
assign ( resid 26 and name HB*) ( resid 27 and name HB3) 3.3 0.7 0.7 volume=1.462 peak=1546 ppm1=1.260 ppm2=1.763
assign ( resid 119 and name HE*) ( resid 27 and name HD2*) 2.3 0.5 0.5 volume=11.096 peak=1026 ppm1=2.074 ppm2=0.808
assign ( resid 36 and name HB2) ( resid 36 and name HD2) 4.8 1.0 1.0 volume=0.160 peak=1720 ppm1=2.514 ppm2=4.021
assign ( resid 85 and name HA) ( resid 86 and name HB2) 5.0 1.0 1.0 volume=0.125 peak=2512 ppm1=5.152 ppm2=2.208
assign ( resid 90 and name HG2) ( resid 90 and name HB3) 2.7 0.5 0.5 volume=4.358 peak=2930 ppm1=1.953 ppm2=2.000
assign ( resid 41 and name HB2) ( resid 41 and name HG2) 3.2 0.6 0.6 volume=1.650 peak=1558 ppm1=1.845 ppm2=1.726
assign ( resid 21 and name HG2) ( resid 21 and name HB2) 3.0 0.6 0.6 volume=2.621 peak=1327 ppm1=1.215 ppm2=1.109
assign ( resid 57 and name HB2) ( resid 57 and name HG2) 3.6 0.7 0.7 volume=0.838 peak=1021 ppm1=1.596 ppm2=1.108
assign ( resid 13 and name HG3) ( resid 13 and name H) 3.4 0.7 0.7 volume=1.115 peak=324 ppm1=2.258 ppm2=9.102
assign ( resid 64 and name HG2*) ( resid 65 and name HD3) 3.1 0.6 0.6 volume=2.240 peak=1078 ppm1=1.255 ppm2=3.883
assign ( resid 122 and name HA) ( resid 122 and name HD3) 4.3 0.9 0.9 volume=0.307 peak=876 ppm1=3.683 ppm2=1.808
assign ( resid 3 and name HG3) ( resid 3 and name HA) 3.7 0.7 0.7 volume=0.682 peak=784 ppm1=2.410 ppm2=4.343
assign ( resid 12 and name HG) ( resid 12 and name HB2) 4.0 0.8 0.8 volume=0.447 peak=1420 ppm1=1.447 ppm2=1.801
assign ( resid 54 and name HB*) ( resid 55 and name HA) 3.6 0.7 0.7 volume=0.869 peak=609 ppm1=0.942 ppm2=4.329
assign ( resid 120 and name HB) ( resid 120 and name HG2*) 3.2 0.6 0.6 volume=1.805 peak=845 ppm1=1.456 ppm2=0.580
assign ( resid 127 and name HD2*) ( resid 127 and name HB2) 3.0 0.6 0.6 volume=2.441 peak=1025 ppm1=0.796 ppm2=1.882
assign ( resid 97 and name HA) ( resid 98 and name HA) 4.4 0.9 0.9 volume=0.241 peak=1442 ppm1=3.740 ppm2=3.100
assign ( resid 106 and name HG12) ( resid 106 and name HA) 4.2 0.8 0.8 volume=0.340 peak=2685 ppm1=0.818 ppm2=3.906
assign ( resid 47 and name HG1*) ( resid 47 and name HA) 3.4 0.7 0.7 volume=1.108 peak=3043 ppm1=0.694 ppm2=3.976
assign ( resid 55 and name HA) ( resid 56 and name H) 3.7 0.7 0.7 volume=0.774 peak=1190 ppm1=4.324 ppm2=8.261
assign ( resid 67 and name HB3) ( resid 67 and name H) 3.8 0.8 0.8 volume=0.650 peak=1644 ppm1=1.731 ppm2=8.220
assign ( resid 73 and name HB2) ( resid 73 and name H) 5.2 1.0 1.0 volume=0.095 peak=928 ppm1=3.061 ppm2=9.052
assign ( resid 115 and name HG3) ( resid 115 and name HB2) 2.6 0.5 0.5 volume=5.801 peak=1944 ppm1=2.354 ppm2=2.003
assign ( resid 12 and name HG) ( resid 12 and name H) 4.1 0.8 0.8 volume=0.370 peak=836 ppm1=1.442 ppm2=9.539
assign ( resid 69 and name HB3) ( resid 69 and name HD3) 3.7 0.7 0.7 volume=0.750 peak=697 ppm1=1.900 ppm2=3.656
assign ( resid 110 and name HG2) ( resid 110 and name HA) 4.3 0.9 0.9 volume=0.291 peak=1760 ppm1=1.812 ppm2=3.998
assign ( resid 40 and name HB) ( resid 39 and name HA) 4.5 0.9 0.9 volume=0.213 peak=1060 ppm1=3.673 ppm2=4.160
assign ( resid 120 and name HA) ( resid 121 and name H) 3.5 0.7 0.7 volume=0.946 peak=2392 ppm1=3.696 ppm2=8.077
assign ( resid 119 and name HE*) ( resid 26 and name H) 4.1 0.8 0.8 volume=0.388 peak=1937 ppm1=2.074 ppm2=9.285
assign ( resid 83 and name HG2*) ( resid 74 and name HG3) 3.4 0.7 0.7 volume=1.287 peak=2211 ppm1=0.719 ppm2=2.317
assign ( resid 13 and name HB3) ( resid 13 and name HG3) 2.9 0.6 0.6 volume=3.164 peak=2294 ppm1=2.061 ppm2=2.262
assign ( resid 41 and name HG2) ( resid 41 and name HB2) 4.0 0.8 0.8 volume=0.450 peak=3041 ppm1=1.722 ppm2=1.849
assign ( resid 70 and name HG2*) ( resid 70 and name HA) 3.4 0.7 0.7 volume=1.099 peak=849 ppm1=0.615 ppm2=4.747
assign ( resid 84 and name HB2) ( resid 84 and name HA) 4.9 1.0 1.0 volume=0.137 peak=137 ppm1=3.997 ppm2=5.597
assign ( resid 98 and name HB3) ( resid 98 and name HE3) 4.5 0.9 0.9 volume=0.233 peak=2308 ppm1=1.398 ppm2=2.748
assign ( resid 90 and name HB3) ( resid 91 and name HA) 3.8 0.8 0.8 volume=0.568 peak=1052 ppm1=1.996 ppm2=4.551
assign ( resid 3 and name HE*) ( resid 3 and name HB2) 1.7 0.0 0.3 volume=143.089 peak=2330 ppm1=1.951 ppm2=1.934
assign ( resid 6 and name HG2*) ( resid 21 and name HA) 3.1 0.6 0.6 volume=2.084 peak=936 ppm1=1.582 ppm2=4.537
assign ( resid 36 and name HD2) ( resid 35 and name HA) 4.4 0.9 0.9 volume=0.238 peak=186 ppm1=4.017 ppm2=5.120
assign ( resid 74 and name HE*) ( resid 126 and name HA) 4.5 0.9 0.9 volume=0.214 peak=2653 ppm1=1.635 ppm2=4.875
assign ( resid 52 and name HG2) ( resid 52 and name HG3) 3.0 0.6 0.6 volume=2.744 peak=2144 ppm1=2.064 ppm2=2.376
assign ( resid 122 and name HG2) ( resid 122 and name HE3) 4.1 0.8 0.8 volume=0.374 peak=2567 ppm1=1.387 ppm2=3.098
assign ( resid 38 and name HG2*) ( resid 38 and name H) 3.7 0.7 0.7 volume=0.772 peak=401 ppm1=1.123 ppm2=7.705
assign ( resid 113 and name HA) ( resid 114 and name HB3) 3.6 0.7 0.7 volume=0.815 peak=1687 ppm1=4.076 ppm2=1.768
assign ( resid 31 and name HD1*) ( resid 12 and name HA) 3.5 0.7 0.7 volume=0.960 peak=2790 ppm1=0.436 ppm2=3.684
assign ( resid 114 and name HB3) ( resid 114 and name HA) 4.0 0.8 0.8 volume=0.483 peak=2613 ppm1=1.764 ppm2=2.842
assign ( resid 119 and name HB2) ( resid 119 and name HE*) 3.2 0.6 0.6 volume=1.819 peak=37 ppm1=1.970 ppm2=2.074
assign ( resid 20 and name HB3) ( resid 20 and name HA) 4.3 0.9 0.9 volume=0.297 peak=1123 ppm1=2.005 ppm2=4.453
assign ( resid 51 and name HG2) ( resid 51 and name HA) 3.2 0.6 0.6 volume=1.712 peak=1579 ppm1=2.288 ppm2=4.981
assign ( resid 21 and name HA) ( resid 21 and name HG3) 4.3 0.9 0.9 volume=0.307 peak=1209 ppm1=4.534 ppm2=1.199
assign ( resid 115 and name HA) ( resid 116 and name HA) 4.7 0.9 0.9 volume=0.163 peak=1422 ppm1=3.954 ppm2=3.554
assign ( resid 8 and name HA) ( resid 9 and name HB3) 4.5 0.9 0.9 volume=0.236 peak=2607 ppm1=5.297 ppm2=2.565
assign ( resid 73 and name HB3) ( resid 73 and name HD1) 4.7 0.9 0.9 volume=0.172 peak=1149 ppm1=2.879 ppm2=7.144
assign ( resid 60 and name HB3) ( resid 60 and name H) 4.1 0.8 0.8 volume=0.397 peak=2773 ppm1=3.074 ppm2=9.478
assign ( resid 125 and name HG2) ( resid 124 and name HA) 3.9 0.8 0.8 volume=0.547 peak=2879 ppm1=2.159 ppm2=4.443
assign ( resid 103 and name HB2) ( resid 103 and name HA) 4.7 0.9 0.9 volume=0.176 peak=2454 ppm1=3.203 ppm2=4.992
assign ( resid 26 and name HB*) ( resid 26 and name H) 2.9 0.6 0.6 volume=2.818 peak=691 ppm1=1.259 ppm2=9.287
assign ( resid 86 and name HB2) ( resid 86 and name HA) 5.0 1.0 1.0 volume=0.118 peak=1296 ppm1=2.204 ppm2=3.618
assign ( resid 39 and name HB3) ( resid 40 and name HA) 3.8 0.8 0.8 volume=0.579 peak=647 ppm1=1.805 ppm2=4.385
assign ( resid 74 and name HE*) ( resid 73 and name HA) 4.2 0.8 0.8 volume=0.333 peak=57 ppm1=1.632 ppm2=5.709
assign ( resid 66 and name HB2) ( resid 66 and name HD*) 4.0 0.8 0.8 volume=0.478 peak=2177 ppm1=2.592 ppm2=6.364
assign ( resid 121 and name HB3) ( resid 122 and name HA) 4.3 0.9 0.9 volume=0.309 peak=1758 ppm1=2.068 ppm2=3.694
assign ( resid 90 and name HG3) ( resid 90 and name HA) 3.8 0.8 0.8 volume=0.605 peak=2471 ppm1=2.075 ppm2=4.485
assign ( resid 24 and name HB2) ( resid 24 and name HG2) 3.0 0.6 0.6 volume=2.536 peak=1161 ppm1=1.763 ppm2=1.401
assign ( resid 6 and name HG2*) ( resid 119 and name HG2) 3.8 0.8 0.8 volume=0.611 peak=49 ppm1=1.581 ppm2=2.692
assign ( resid 109 and name HB2) ( resid 109 and name HD3) 4.6 0.9 0.9 volume=0.207 peak=714 ppm1=1.994 ppm2=2.942
assign ( resid 109 and name HG2) ( resid 109 and name HD3) 4.3 0.9 0.9 volume=0.273 peak=1873 ppm1=1.383 ppm2=2.942
assign ( resid 45 and name HB2) ( resid 46 and name H) 5.0 1.0 1.0 volume=0.113 peak=2313 ppm1=4.113 ppm2=7.928
assign ( resid 83 and name HD1*) ( resid 83 and name HA) 3.8 0.8 0.8 volume=0.616 peak=292 ppm1=0.644 ppm2=4.612
assign ( resid 52 and name HG3) ( resid 52 and name HB3) 3.5 0.7 0.7 volume=0.982 peak=1733 ppm1=2.377 ppm2=1.826
assign ( resid 27 and name HD2*) ( resid 27 and name H) 4.0 0.8 0.8 volume=0.434 peak=1391 ppm1=0.817 ppm2=7.640
assign ( resid 28 and name HG3) ( resid 28 and name H) 4.0 0.8 0.8 volume=0.425 peak=2268 ppm1=2.015 ppm2=8.434
assign ( resid 96 and name HA) ( resid 95 and name H) 5.2 1.0 1.0 volume=0.094 peak=284 ppm1=3.872 ppm2=8.530
assign ( resid 125 and name HG2) ( resid 46 and name HE*) 4.5 0.9 0.9 volume=0.215 peak=3097 ppm1=2.158 ppm2=6.746
assign ( resid 84 and name HB3) ( resid 85 and name H) 4.6 0.9 0.9 volume=0.204 peak=2554 ppm1=3.729 ppm2=10.284
assign ( resid 74 and name HE*) ( resid 118 and name H) 3.9 0.8 0.8 volume=0.521 peak=490 ppm1=1.633 ppm2=7.194
assign ( resid 122 and name HE2) ( resid 122 and name HG2) 2.8 0.6 0.6 volume=3.814 peak=2123 ppm1=3.008 ppm2=1.391
assign ( resid 56 and name HD2*) ( resid 70 and name HA) 3.9 0.8 0.8 volume=0.517 peak=1353 ppm1=-0.591 ppm2=4.763
assign ( resid 120 and name HG2*) ( resid 120 and name HB) 2.9 0.6 0.6 volume=3.347 peak=279 ppm1=0.579 ppm2=1.460
assign ( resid 15 and name HA) ( resid 16 and name H) 3.6 0.7 0.7 volume=0.846 peak=2669 ppm1=3.372 ppm2=8.068
assign ( resid 100 and name HD3) ( resid 100 and name HG2) 3.1 0.6 0.6 volume=2.211 peak=810 ppm1=3.104 ppm2=1.658
assign ( resid 94 and name HA3) ( resid 93 and name H) 4.9 1.0 1.0 volume=0.134 peak=1315 ppm1=3.860 ppm2=7.968
assign ( resid 85 and name HB2) ( resid 85 and name HA) 4.6 0.9 0.9 volume=0.200 peak=2965 ppm1=2.662 ppm2=5.156
assign ( resid 39 and name HD2) ( resid 38 and name HB) 4.2 0.8 0.8 volume=0.313 peak=1858 ppm1=3.408 ppm2=4.336
assign ( resid 18 and name HB3) ( resid 18 and name HB2) 4.0 0.8 0.8 volume=0.417 peak=101 ppm1=3.282 ppm2=2.673
assign ( resid 90 and name HA) ( resid 90 and name HG2) 3.5 0.7 0.7 volume=0.975 peak=176 ppm1=4.485 ppm2=1.957
assign ( resid 50 and name HD2) ( resid 50 and name HB3) 3.9 0.8 0.8 volume=0.522 peak=952 ppm1=1.791 ppm2=1.345
assign ( resid 108 and name HA) ( resid 108 and name HB) 4.8 1.0 1.0 volume=0.156 peak=2798 ppm1=4.418 ppm2=3.407
assign ( resid 122 and name HD3) ( resid 122 and name HE2) 3.6 0.7 0.7 volume=0.805 peak=2293 ppm1=1.804 ppm2=3.012
assign ( resid 21 and name HD3) ( resid 21 and name HB2) 3.4 0.7 0.7 volume=1.127 peak=2306 ppm1=1.602 ppm2=1.109
assign ( resid 30 and name HA) ( resid 30 and name HB3) 4.1 0.8 0.8 volume=0.367 peak=1366 ppm1=5.347 ppm2=2.676
assign ( resid 112 and name HB) ( resid 112 and name HG1*) 3.2 0.6 0.6 volume=1.666 peak=2911 ppm1=1.740 ppm2=0.668
assign ( resid 51 and name HB2) ( resid 51 and name H) 4.2 0.8 0.8 volume=0.315 peak=624 ppm1=2.242 ppm2=9.566
assign ( resid 25 and name HG1*) ( resid 25 and name HA) 2.9 0.6 0.6 volume=2.947 peak=2495 ppm1=0.681 ppm2=3.260
assign ( resid 89 and name HA) ( resid 88 and name H) 4.8 1.0 1.0 volume=0.146 peak=11 ppm1=5.165 ppm2=7.008
assign ( resid 57 and name HB3) ( resid 57 and name H) 4.3 0.9 0.9 volume=0.310 peak=642 ppm1=1.406 ppm2=7.988
assign ( resid 95 and name HB3) ( resid 94 and name HA2) 4.8 1.0 1.0 volume=0.153 peak=24 ppm1=2.597 ppm2=3.973
assign ( resid 90 and name HD2) ( resid 89 and name HB2) 4.8 1.0 1.0 volume=0.160 peak=2416 ppm1=4.088 ppm2=1.612
assign ( resid 83 and name HB) ( resid 83 and name HD1*) 3.4 0.7 0.7 volume=1.134 peak=151 ppm1=1.470 ppm2=0.648
assign ( resid 9 and name HA) ( resid 9 and name HB3) 3.9 0.8 0.8 volume=0.514 peak=592 ppm1=5.764 ppm2=2.565
assign ( resid 122 and name HA) ( resid 123 and name HA2) 5.1 1.0 1.0 volume=0.102 peak=253 ppm1=3.690 ppm2=4.291
assign ( resid 69 and name HD2) ( resid 69 and name HG2) 3.4 0.7 0.7 volume=1.166 peak=407 ppm1=3.780 ppm2=2.181
assign ( resid 69 and name HG3) ( resid 69 and name HB2) 2.7 0.5 0.5 volume=4.389 peak=2498 ppm1=1.902 ppm2=2.232
assign ( resid 53 and name HB3) ( resid 53 and name H) 3.7 0.7 0.7 volume=0.699 peak=2380 ppm1=2.764 ppm2=8.346
assign ( resid 29 and name HG2*) ( resid 17 and name HA) 4.3 0.9 0.9 volume=0.292 peak=378 ppm1=0.554 ppm2=5.630
assign ( resid 17 and name HE*) ( resid 29 and name HG2*) 2.4 0.5 0.5 volume=10.788 peak=831 ppm1=1.478 ppm2=0.553
assign ( resid 92 and name HA) ( resid 93 and name H) 4.4 0.9 0.9 volume=0.250 peak=2739 ppm1=4.438 ppm2=7.968
assign ( resid 55 and name HB) ( resid 55 and name H) 3.4 0.7 0.7 volume=1.183 peak=1497 ppm1=3.747 ppm2=8.441
assign ( resid 39 and name HB2) ( resid 39 and name HD2) 3.9 0.8 0.8 volume=0.564 peak=1476 ppm1=2.005 ppm2=3.412
assign ( resid 122 and name HA) ( resid 122 and name HG2) 4.2 0.8 0.8 volume=0.344 peak=1982 ppm1=3.682 ppm2=1.385
assign ( resid 98 and name HD2) ( resid 98 and name HG2) 3.5 0.7 0.7 volume=0.980 peak=2778 ppm1=1.242 ppm2=-0.177
assign ( resid 26 and name HB*) ( resid 19 and name HB2) 3.7 0.7 0.7 volume=0.666 peak=1572 ppm1=1.260 ppm2=2.712
assign ( resid 21 and name HB3) ( resid 21 and name HD2) 4.1 0.8 0.8 volume=0.408 peak=835 ppm1=1.520 ppm2=1.755
assign ( resid 3 and name HA) ( resid 4 and name HB3) 3.7 0.7 0.7 volume=0.718 peak=1677 ppm1=4.348 ppm2=1.861
assign ( resid 41 and name HD3) ( resid 41 and name HG3) 3.5 0.7 0.7 volume=0.924 peak=194 ppm1=3.675 ppm2=1.974
assign ( resid 83 and name HD1*) ( resid 83 and name HG13) 2.9 0.6 0.6 volume=3.190 peak=759 ppm1=0.644 ppm2=1.496
assign ( resid 69 and name HB3) ( resid 69 and name HG2) 2.9 0.6 0.6 volume=3.385 peak=1009 ppm1=1.900 ppm2=2.181
assign ( resid 125 and name HB2) ( resid 126 and name H) 4.7 0.9 0.9 volume=0.172 peak=2647 ppm1=2.306 ppm2=8.472
assign ( resid 100 and name HD2) ( resid 100 and name HB3) 3.5 0.7 0.7 volume=1.019 peak=242 ppm1=3.222 ppm2=1.485
assign ( resid 6 and name HG2*) ( resid 7 and name HA) 3.9 0.8 0.8 volume=0.500 peak=874 ppm1=1.581 ppm2=5.073
assign ( resid 12 and name HD2*) ( resid 12 and name HB3) 3.4 0.7 0.7 volume=1.299 peak=2695 ppm1=0.390 ppm2=0.944
assign ( resid 39 and name HB2) ( resid 39 and name HG3) 3.0 0.6 0.6 volume=2.604 peak=1564 ppm1=2.006 ppm2=1.828
assign ( resid 24 and name HD3) ( resid 25 and name H) 4.2 0.8 0.8 volume=0.339 peak=161 ppm1=1.657 ppm2=8.686
assign ( resid 70 and name HG1*) ( resid 70 and name H) 3.5 0.7 0.7 volume=1.010 peak=481 ppm1=1.014 ppm2=8.651
assign ( resid 24 and name HB3) ( resid 24 and name HG2) 3.0 0.6 0.6 volume=2.669 peak=122 ppm1=1.687 ppm2=1.401
assign ( resid 24 and name HB2) ( resid 24 and name H) 3.6 0.7 0.7 volume=0.900 peak=2258 ppm1=1.763 ppm2=7.602
assign ( resid 98 and name HB3) ( resid 99 and name HA) 7.5 1.5 0.5 volume=0.011 peak=532 ppm1=1.398 ppm2=4.490
assign ( resid 35 and name HE3) ( resid 35 and name HB3) 3.8 0.8 0.8 volume=0.646 peak=2537 ppm1=2.832 ppm2=1.504
assign ( resid 24 and name HD2) ( resid 24 and name H) 4.1 0.8 0.8 volume=0.390 peak=2413 ppm1=1.702 ppm2=7.600
assign ( resid 122 and name HD3) ( resid 122 and name HA) 4.7 0.9 0.9 volume=0.171 peak=1828 ppm1=1.802 ppm2=3.697
assign ( resid 110 and name HD3) ( resid 110 and name HB2) 4.7 0.9 0.9 volume=0.160 peak=486 ppm1=3.914 ppm2=2.646
assign ( resid 125 and name HD2) ( resid 124 and name HG2*) 4.2 0.8 0.8 volume=0.318 peak=2994 ppm1=4.453 ppm2=1.563
assign ( resid 24 and name HB2) ( resid 24 and name HD3) 2.8 0.6 0.6 volume=3.972 peak=345 ppm1=1.763 ppm2=1.660
assign ( resid 98 and name HD3) ( resid 98 and name HA) 4.4 0.9 0.9 volume=0.254 peak=1820 ppm1=1.257 ppm2=3.100
assign ( resid 121 and name HA) ( resid 121 and name HG3) 3.9 0.8 0.8 volume=0.523 peak=2710 ppm1=4.426 ppm2=2.392
assign ( resid 67 and name HG3) ( resid 67 and name HB2) 2.9 0.6 0.6 volume=2.951 peak=1138 ppm1=1.961 ppm2=1.695
assign ( resid 99 and name HA) ( resid 100 and name HA) 5.3 1.1 1.1 volume=0.081 peak=550 ppm1=4.486 ppm2=4.773
assign ( resid 32 and name HB) ( resid 33 and name HA) 4.6 0.9 0.9 volume=0.203 peak=1398 ppm1=1.896 ppm2=4.827
assign ( resid 125 and name HD2) ( resid 125 and name HB3) 4.7 0.9 0.9 volume=0.166 peak=1434 ppm1=4.450 ppm2=1.909
assign ( resid 120 and name HG1*) ( resid 121 and name H) 3.5 0.7 0.7 volume=0.979 peak=2237 ppm1=0.199 ppm2=8.075
assign ( resid 90 and name HD3) ( resid 90 and name HG2) 3.7 0.7 0.7 volume=0.735 peak=1668 ppm1=4.001 ppm2=1.958
assign ( resid 115 and name HB2) ( resid 115 and name H) 3.3 0.7 0.7 volume=1.559 peak=2507 ppm1=1.998 ppm2=6.781
assign ( resid 116 and name HB2) ( resid 116 and name HD2*) 4.0 0.8 0.8 volume=0.445 peak=3142 ppm1=1.765 ppm2=0.372
assign ( resid 119 and name HB2) ( resid 119 and name HA) 3.6 0.7 0.7 volume=0.833 peak=165 ppm1=1.970 ppm2=4.456
assign ( resid 112 and name HA) ( resid 112 and name HG2*) 3.1 0.6 0.6 volume=2.060 peak=634 ppm1=3.840 ppm2=0.882
assign ( resid 44 and name HB) ( resid 45 and name HA) 4.8 1.0 1.0 volume=0.151 peak=741 ppm1=1.788 ppm2=5.058
assign ( resid 42 and name HB*) ( resid 42 and name HA) 2.9 0.6 0.6 volume=3.353 peak=1900 ppm1=1.413 ppm2=4.355
assign ( resid 117 and name HB2) ( resid 117 and name H) 4.5 0.9 0.9 volume=0.236 peak=1765 ppm1=2.405 ppm2=8.826
assign ( resid 65 and name HG3) ( resid 66 and name H) 4.2 0.8 0.8 volume=0.336 peak=571 ppm1=2.000 ppm2=8.085
assign ( resid 35 and name HB3) ( resid 35 and name HA) 4.5 0.9 0.9 volume=0.229 peak=1187 ppm1=1.500 ppm2=5.120
assign ( resid 40 and name HB) ( resid 40 and name HA) 4.8 1.0 1.0 volume=0.148 peak=1450 ppm1=3.673 ppm2=4.385
assign ( resid 52 and name HB2) ( resid 52 and name HG2) 3.3 0.7 0.7 volume=1.385 peak=774 ppm1=1.925 ppm2=2.066
assign ( resid 49 and name HB2) ( resid 49 and name HD22) 4.4 0.9 0.9 volume=0.256 peak=960 ppm1=2.677 ppm2=7.239
assign ( resid 76 and name HD1*) ( resid 73 and name HA) 4.2 0.8 0.8 volume=0.339 peak=1144 ppm1=0.175 ppm2=5.727
assign ( resid 27 and name HB3) ( resid 19 and name HB2) 4.1 0.8 0.8 volume=0.398 peak=704 ppm1=1.771 ppm2=2.712
assign ( resid 114 and name HB3) ( resid 115 and name H) 4.3 0.9 0.9 volume=0.290 peak=1393 ppm1=1.764 ppm2=6.781
assign ( resid 35 and name HD2) ( resid 35 and name HG3) 3.1 0.6 0.6 volume=2.126 peak=1456 ppm1=1.598 ppm2=1.181
assign ( resid 126 and name HG1*) ( resid 126 and name HB) 3.0 0.6 0.6 volume=2.660 peak=2321 ppm1=0.835 ppm2=1.811
assign ( resid 7 and name HB2) ( resid 8 and name H) 4.6 0.9 0.9 volume=0.191 peak=2720 ppm1=2.723 ppm2=9.216
assign ( resid 27 and name HB3) ( resid 27 and name H) 3.9 0.8 0.8 volume=0.534 peak=2399 ppm1=1.768 ppm2=7.635
assign ( resid 22 and name HB2) ( resid 23 and name HA2) 5.4 1.1 1.1 volume=0.074 peak=124 ppm1=2.673 ppm2=3.763
assign ( resid 8 and name HB) ( resid 8 and name H) 4.6 0.9 0.9 volume=0.198 peak=1845 ppm1=1.881 ppm2=9.223
assign ( resid 65 and name HD2) ( resid 65 and name HG2) 3.2 0.6 0.6 volume=1.589 peak=998 ppm1=3.694 ppm2=2.026
assign ( resid 10 and name HG2*) ( resid 10 and name HB) 3.1 0.6 0.6 volume=1.907 peak=3053 ppm1=0.688 ppm2=2.149
assign ( resid 50 and name HE2) ( resid 50 and name HA) 2.9 0.6 0.6 volume=3.412 peak=2199 ppm1=2.995 ppm2=4.772
assign ( resid 55 and name HA) ( resid 55 and name HG2*) 3.4 0.7 0.7 volume=1.165 peak=2154 ppm1=4.325 ppm2=0.819
assign ( resid 115 and name HB3) ( resid 115 and name H) 3.2 0.6 0.6 volume=1.594 peak=1082 ppm1=2.012 ppm2=6.781
assign ( resid 62 and name HA) ( resid 62 and name HB3) 3.5 0.7 0.7 volume=1.012 peak=331 ppm1=4.528 ppm2=3.097
assign ( resid 14 and name HB2) ( resid 14 and name HB3) 3.4 0.7 0.7 volume=1.169 peak=645 ppm1=2.860 ppm2=2.270
assign ( resid 25 and name HB) ( resid 26 and name HA) 4.3 0.9 0.9 volume=0.291 peak=2906 ppm1=1.914 ppm2=4.453
assign ( resid 100 and name HD2) ( resid 96 and name HA) 4.6 0.9 0.9 volume=0.183 peak=2929 ppm1=3.221 ppm2=3.881
assign ( resid 70 and name HG2*) ( resid 84 and name HA) 4.2 0.8 0.8 volume=0.351 peak=2630 ppm1=0.620 ppm2=5.595
assign ( resid 83 and name HG2*) ( resid 83 and name HD1*) 2.4 0.5 0.5 volume=10.493 peak=449 ppm1=0.718 ppm2=0.648
assign ( resid 51 and name HG3) ( resid 51 and name H) 4.0 0.8 0.8 volume=0.456 peak=1958 ppm1=2.268 ppm2=9.560
assign ( resid 110 and name HB2) ( resid 110 and name HG2) 4.3 0.9 0.9 volume=0.306 peak=2848 ppm1=2.642 ppm2=1.816
assign ( resid 109 and name HD2) ( resid 108 and name HA) 4.2 0.8 0.8 volume=0.323 peak=1324 ppm1=3.055 ppm2=4.425
assign ( resid 24 and name HG2) ( resid 24 and name HB2) 2.7 0.5 0.5 volume=4.991 peak=1387 ppm1=1.397 ppm2=1.767
assign ( resid 9 and name HB2) ( resid 9 and name H) 4.2 0.8 0.8 volume=0.316 peak=1122 ppm1=2.438 ppm2=9.759
assign ( resid 35 and name HG3) ( resid 35 and name HE2) 4.4 0.9 0.9 volume=0.245 peak=2302 ppm1=1.178 ppm2=2.914
assign ( resid 28 and name HB2) ( resid 28 and name HG2) 3.8 0.8 0.8 volume=0.633 peak=1014 ppm1=1.493 ppm2=1.916
assign ( resid 6 and name HG2*) ( resid 23 and name H) 5.0 1.0 1.0 volume=0.121 peak=1056 ppm1=1.584 ppm2=8.835
assign ( resid 31 and name HG13) ( resid 31 and name HG12) 3.3 0.7 0.7 volume=1.387 peak=2280 ppm1=0.474 ppm2=0.790
assign ( resid 87 and name HB2) ( resid 88 and name HA) 5.6 1.1 1.1 volume=0.060 peak=1605 ppm1=2.958 ppm2=4.646
assign ( resid 104 and name HA2) ( resid 104 and name HA3) 4.1 0.8 0.8 volume=0.361 peak=2198 ppm1=4.377 ppm2=3.188
assign ( resid 41 and name HA) ( resid 42 and name H) 3.1 0.6 0.6 volume=2.176 peak=2533 ppm1=4.241 ppm2=7.581
assign ( resid 70 and name HG2*) ( resid 73 and name HE3) 4.1 0.8 0.8 volume=0.416 peak=1151 ppm1=0.621 ppm2=7.640
assign ( resid 58 and name HA3) ( resid 57 and name HA) 4.4 0.9 0.9 volume=0.262 peak=1028 ppm1=3.787 ppm2=4.646
assign ( resid 30 and name HB2) ( resid 30 and name H) 4.5 0.9 0.9 volume=0.213 peak=1360 ppm1=2.573 ppm2=8.393
assign ( resid 119 and name HA) ( resid 119 and name H) 3.5 0.7 0.7 volume=0.976 peak=2614 ppm1=4.452 ppm2=7.351
assign ( resid 17 and name HE*) ( resid 17 and name HG2) 3.2 0.6 0.6 volume=1.841 peak=2034 ppm1=1.475 ppm2=2.261
assign ( resid 100 and name HD2) ( resid 96 and name HD1*) 3.8 0.8 0.8 volume=0.617 peak=1172 ppm1=3.223 ppm2=0.622
assign ( resid 83 and name HG2*) ( resid 108 and name HA) 4.4 0.9 0.9 volume=0.250 peak=2638 ppm1=0.717 ppm2=4.436
assign ( resid 115 and name HA) ( resid 115 and name HG2) 3.3 0.7 0.7 volume=1.333 peak=1036 ppm1=3.954 ppm2=2.199
assign ( resid 36 and name HA) ( resid 36 and name HG2) 3.9 0.8 0.8 volume=0.487 peak=1429 ppm1=4.378 ppm2=1.848
assign ( resid 114 and name HG3) ( resid 114 and name HB2) 3.4 0.7 0.7 volume=1.098 peak=1070 ppm1=1.348 ppm2=1.802
assign ( resid 27 and name HG) ( resid 28 and name H) 3.5 0.7 0.7 volume=0.964 peak=2960 ppm1=1.525 ppm2=8.433
assign ( resid 91 and name HG3) ( resid 91 and name HB3) 2.7 0.5 0.5 volume=4.456 peak=1053 ppm1=2.214 ppm2=1.958
assign ( resid 112 and name HG2*) ( resid 112 and name HA) 2.7 0.5 0.5 volume=4.570 peak=196 ppm1=0.878 ppm2=3.838
assign ( resid 98 and name HG3) ( resid 98 and name HE2) 4.5 0.9 0.9 volume=0.234 peak=1711 ppm1=-0.332 ppm2=2.735
assign ( resid 19 and name HA) ( resid 19 and name HB2) 4.2 0.8 0.8 volume=0.359 peak=3038 ppm1=5.369 ppm2=2.705
assign ( resid 65 and name HD2) ( resid 64 and name HB) 3.5 0.7 0.7 volume=1.022 peak=1657 ppm1=3.694 ppm2=4.334
assign ( resid 31 and name HG12) ( resid 31 and name HB) 3.9 0.8 0.8 volume=0.501 peak=3052 ppm1=0.788 ppm2=1.858
assign ( resid 21 and name HB2) ( resid 21 and name HG3) 3.1 0.6 0.6 volume=2.226 peak=2041 ppm1=1.104 ppm2=1.208
assign ( resid 110 and name HB3) ( resid 110 and name HA) 4.1 0.8 0.8 volume=0.401 peak=233 ppm1=2.118 ppm2=3.998
assign ( resid 57 and name HD2) ( resid 57 and name HG2) 3.0 0.6 0.6 volume=2.607 peak=305 ppm1=1.497 ppm2=1.108
assign ( resid 31 and name HB) ( resid 32 and name HA) 4.9 1.0 1.0 volume=0.141 peak=1590 ppm1=1.854 ppm2=4.809
assign ( resid 100 and name HD2) ( resid 32 and name HG2*) 4.7 0.9 0.9 volume=0.169 peak=509 ppm1=3.214 ppm2=1.010
assign ( resid 3 and name HG2) ( resid 3 and name HB3) 3.5 0.7 0.7 volume=1.048 peak=1610 ppm1=2.331 ppm2=1.738
assign ( resid 65 and name HD3) ( resid 65 and name HB3) 4.0 0.8 0.8 volume=0.441 peak=1312 ppm1=3.881 ppm2=1.831
assign ( resid 110 and name HB3) ( resid 111 and name HA) 4.3 0.9 0.9 volume=0.312 peak=1325 ppm1=2.117 ppm2=3.903
assign ( resid 21 and name HD3) ( resid 21 and name HG3) 2.9 0.6 0.6 volume=2.863 peak=1910 ppm1=1.601 ppm2=1.201
assign ( resid 112 and name HA) ( resid 112 and name HB) 3.7 0.7 0.7 volume=0.677 peak=1846 ppm1=3.840 ppm2=1.744
assign ( resid 109 and name HB2) ( resid 110 and name HD3) 4.3 0.9 0.9 volume=0.276 peak=2433 ppm1=1.994 ppm2=3.918
assign ( resid 27 and name HA) ( resid 26 and name HB*) 4.8 1.0 1.0 volume=0.153 peak=425 ppm1=4.489 ppm2=1.264
assign ( resid 110 and name HG3) ( resid 110 and name HA) 4.2 0.8 0.8 volume=0.333 peak=1698 ppm1=2.359 ppm2=3.998
assign ( resid 113 and name HE*) ( resid 82 and name H) 3.0 0.6 0.6 volume=2.410 peak=458 ppm1=2.075 ppm2=6.960
assign ( resid 31 and name HD1*) ( resid 16 and name H) 3.3 0.7 0.7 volume=1.378 peak=2990 ppm1=0.436 ppm2=8.053
assign ( resid 17 and name HA) ( resid 17 and name HG2) 4.4 0.9 0.9 volume=0.251 peak=613 ppm1=5.627 ppm2=2.261
assign ( resid 21 and name HE3) ( resid 21 and name HB2) 3.0 0.6 0.6 volume=2.293 peak=1317 ppm1=2.997 ppm2=1.109
assign ( resid 39 and name HA) ( resid 40 and name HA) 4.4 0.9 0.9 volume=0.264 peak=2552 ppm1=4.155 ppm2=4.377
assign ( resid 35 and name HE2) ( resid 35 and name HG3) 3.5 0.7 0.7 volume=0.983 peak=2838 ppm1=2.917 ppm2=1.181
assign ( resid 125 and name HB3) ( resid 126 and name H) 4.6 0.9 0.9 volume=0.203 peak=983 ppm1=1.905 ppm2=8.472
assign ( resid 83 and name HG12) ( resid 83 and name HD1*) 4.4 0.9 0.9 volume=0.258 peak=234 ppm1=0.679 ppm2=0.648
assign ( resid 41 and name HG3) ( resid 41 and name HB2) 3.2 0.6 0.6 volume=1.851 peak=1196 ppm1=1.970 ppm2=1.849
assign ( resid 112 and name HA) ( resid 111 and name HA) 3.1 0.6 0.6 volume=1.985 peak=1343 ppm1=3.840 ppm2=3.892
assign ( resid 59 and name HB) ( resid 58 and name HA3) 2.7 0.5 0.5 volume=4.749 peak=504 ppm1=3.851 ppm2=3.791
assign ( resid 116 and name HG) ( resid 116 and name HD2*) 3.6 0.7 0.7 volume=0.887 peak=751 ppm1=1.137 ppm2=0.378
assign ( resid 47 and name HB) ( resid 47 and name HG1*) 3.4 0.7 0.7 volume=1.104 peak=230 ppm1=1.958 ppm2=0.698
assign ( resid 96 and name HG) ( resid 96 and name HB2) 3.7 0.7 0.7 volume=0.675 peak=2898 ppm1=1.721 ppm2=1.123
assign ( resid 13 and name HA) ( resid 13 and name HB2) 3.0 0.6 0.6 volume=2.750 peak=2394 ppm1=3.984 ppm2=2.208
assign ( resid 96 and name HB2) ( resid 96 and name HA) 4.2 0.8 0.8 volume=0.353 peak=2151 ppm1=1.119 ppm2=3.876
assign ( resid 125 and name HA) ( resid 125 and name HD3) 4.3 0.9 0.9 volume=0.292 peak=480 ppm1=4.463 ppm2=4.302
assign ( resid 49 and name HB2) ( resid 49 and name HA) 3.1 0.6 0.6 volume=2.034 peak=1784 ppm1=2.677 ppm2=4.675
assign ( resid 116 and name HG) ( resid 116 and name HB2) 4.1 0.8 0.8 volume=0.380 peak=264 ppm1=1.137 ppm2=1.769
assign ( resid 27 and name HG) ( resid 27 and name HB2) 3.2 0.6 0.6 volume=1.877 peak=2917 ppm1=1.530 ppm2=1.403
assign ( resid 49 and name HB2) ( resid 50 and name HA) 4.1 0.8 0.8 volume=0.402 peak=2114 ppm1=2.677 ppm2=4.772
assign ( resid 3 and name HG2) ( resid 3 and name H) 4.6 0.9 0.9 volume=0.205 peak=2256 ppm1=2.331 ppm2=8.408
assign ( resid 10 and name HG1*) ( resid 10 and name HA) 3.2 0.6 0.6 volume=1.654 peak=273 ppm1=0.604 ppm2=4.531
assign ( resid 57 and name HG3) ( resid 57 and name HE3) 3.4 0.7 0.7 volume=1.215 peak=1306 ppm1=1.157 ppm2=2.773
assign ( resid 8 and name HA) ( resid 8 and name H) 4.9 1.0 1.0 volume=0.132 peak=608 ppm1=5.297 ppm2=9.223
assign ( resid 98 and name HB3) ( resid 98 and name HE2) 4.3 0.9 0.9 volume=0.276 peak=2815 ppm1=1.398 ppm2=2.735
assign ( resid 117 and name HB2) ( resid 117 and name HA) 4.4 0.9 0.9 volume=0.251 peak=339 ppm1=2.405 ppm2=3.720
assign ( resid 46 and name HB3) ( resid 46 and name HD*) 5.9 1.2 1.2 volume=0.042 peak=3039 ppm1=2.730 ppm2=6.945
assign ( resid 116 and name HD2*) ( resid 116 and name HB2) 3.1 0.6 0.6 volume=2.092 peak=1069 ppm1=0.373 ppm2=1.769
assign ( resid 90 and name HD2) ( resid 91 and name H) 4.5 0.9 0.9 volume=0.220 peak=860 ppm1=4.088 ppm2=7.021
assign ( resid 28 and name HG2) ( resid 28 and name H) 4.1 0.8 0.8 volume=0.368 peak=3190 ppm1=1.912 ppm2=8.434
assign ( resid 35 and name HE2) ( resid 35 and name HB2) 4.5 0.9 0.9 volume=0.233 peak=312 ppm1=2.917 ppm2=2.129
assign ( resid 6 and name HA) ( resid 5 and name HB2) 4.5 0.9 0.9 volume=0.230 peak=2159 ppm1=5.212 ppm2=2.684
assign ( resid 10 and name HG2*) ( resid 10 and name H) 3.5 0.7 0.7 volume=1.024 peak=2148 ppm1=0.688 ppm2=9.800
assign ( resid 60 and name HB2) ( resid 59 and name HA) 3.8 0.8 0.8 volume=0.596 peak=900 ppm1=3.009 ppm2=4.770
assign ( resid 65 and name HD3) ( resid 66 and name H) 4.4 0.9 0.9 volume=0.266 peak=1383 ppm1=3.881 ppm2=8.085
assign ( resid 31 and name HA) ( resid 31 and name HD1*) 4.6 0.9 0.9 volume=0.198 peak=223 ppm1=5.070 ppm2=0.439
assign ( resid 100 and name HB2) ( resid 100 and name HD3) 4.1 0.8 0.8 volume=0.412 peak=282 ppm1=2.282 ppm2=3.107
assign ( resid 94 and name HA3) ( resid 95 and name H) 3.8 0.8 0.8 volume=0.655 peak=1358 ppm1=3.860 ppm2=8.530
assign ( resid 98 and name HB3) ( resid 98 and name HD3) 3.8 0.8 0.8 volume=0.636 peak=2040 ppm1=1.398 ppm2=1.261
assign ( resid 35 and name HB3) ( resid 35 and name HG2) 3.7 0.7 0.7 volume=0.739 peak=1350 ppm1=1.500 ppm2=1.598
assign ( resid 39 and name HG2) ( resid 38 and name HA) 3.9 0.8 0.8 volume=0.525 peak=121 ppm1=1.957 ppm2=4.574
assign ( resid 6 and name HG2*) ( resid 120 and name HG2*) 4.5 0.9 0.9 volume=0.232 peak=36 ppm1=1.584 ppm2=0.584
assign ( resid 3 and name HB2) ( resid 4 and name HA) 3.7 0.7 0.7 volume=0.745 peak=1890 ppm1=1.930 ppm2=4.307
assign ( resid 39 and name HB3) ( resid 38 and name HA) 4.1 0.8 0.8 volume=0.382 peak=3095 ppm1=1.805 ppm2=4.574
assign ( resid 122 and name HB3) ( resid 122 and name HD3) 3.4 0.7 0.7 volume=1.156 peak=813 ppm1=1.674 ppm2=1.808
assign ( resid 35 and name HD2) ( resid 35 and name HD3) 3.0 0.6 0.6 volume=2.287 peak=154 ppm1=1.600 ppm2=1.393
assign ( resid 98 and name HG2) ( resid 98 and name H) 4.4 0.9 0.9 volume=0.269 peak=448 ppm1=-0.181 ppm2=6.526
assign ( resid 113 and name HE*) ( resid 115 and name H) 4.3 0.9 0.9 volume=0.306 peak=3084 ppm1=2.074 ppm2=6.774
assign ( resid 2 and name HB3) ( resid 3 and name H) 4.5 0.9 0.9 volume=0.222 peak=2341 ppm1=3.120 ppm2=8.395
assign ( resid 100 and name HB2) ( resid 100 and name HA) 3.5 0.7 0.7 volume=1.075 peak=1534 ppm1=2.282 ppm2=4.773
assign ( resid 108 and name HA) ( resid 109 and name HD3) 4.4 0.9 0.9 volume=0.239 peak=2628 ppm1=4.418 ppm2=2.942
assign ( resid 116 and name HD1*) ( resid 116 and name HA) 3.5 0.7 0.7 volume=0.931 peak=405 ppm1=0.603 ppm2=3.554
assign ( resid 116 and name HD1*) ( resid 116 and name H) 3.5 0.7 0.7 volume=0.993 peak=1335 ppm1=0.603 ppm2=8.644
assign ( resid 29 and name HG2*) ( resid 29 and name HB) 3.0 0.6 0.6 volume=2.502 peak=2329 ppm1=0.550 ppm2=3.961
assign ( resid 95 and name HB3) ( resid 94 and name HA3) 4.8 1.0 1.0 volume=0.150 peak=2615 ppm1=2.597 ppm2=3.864
assign ( resid 83 and name HB) ( resid 83 and name H) 4.6 0.9 0.9 volume=0.186 peak=1394 ppm1=1.471 ppm2=8.213
assign ( resid 13 and name HB2) ( resid 13 and name HG2) 3.0 0.6 0.6 volume=2.323 peak=2337 ppm1=2.196 ppm2=2.349
assign ( resid 74 and name HE*) ( resid 84 and name HA) 4.2 0.8 0.8 volume=0.342 peak=2079 ppm1=1.632 ppm2=5.599
assign ( resid 13 and name HB2) ( resid 14 and name H) 4.0 0.8 0.8 volume=0.465 peak=2584 ppm1=2.197 ppm2=7.718
assign ( resid 13 and name HB2) ( resid 13 and name HA) 3.3 0.7 0.7 volume=1.558 peak=1837 ppm1=2.196 ppm2=3.977
assign ( resid 8 and name HG13) ( resid 8 and name HG12) 4.1 0.8 0.8 volume=0.371 peak=8 ppm1=1.912 ppm2=0.922
assign ( resid 76 and name HD1*) ( resid 76 and name HG12) 3.3 0.7 0.7 volume=1.330 peak=247 ppm1=0.174 ppm2=0.351
assign ( resid 39 and name HD3) ( resid 39 and name HB3) 3.6 0.7 0.7 volume=0.866 peak=555 ppm1=3.386 ppm2=1.809
assign ( resid 36 and name HB3) ( resid 35 and name HA) 5.2 1.0 1.0 volume=0.090 peak=567 ppm1=1.994 ppm2=5.120
assign ( resid 95 and name HA) ( resid 94 and name HA2) 4.3 0.9 0.9 volume=0.274 peak=1447 ppm1=5.155 ppm2=3.973
assign ( resid 119 and name HG2) ( resid 120 and name H) 3.7 0.7 0.7 volume=0.767 peak=1780 ppm1=2.698 ppm2=7.328
assign ( resid 89 and name HB3) ( resid 89 and name HE22) 4.5 0.9 0.9 volume=0.214 peak=1960 ppm1=1.202 ppm2=7.166
assign ( resid 15 and name HG2) ( resid 15 and name H) 4.8 1.0 1.0 volume=0.152 peak=2664 ppm1=2.089 ppm2=8.041
assign ( resid 96 and name HD1*) ( resid 96 and name H) 3.3 0.7 0.7 volume=1.424 peak=712 ppm1=0.619 ppm2=7.946
assign ( resid 110 and name HB2) ( resid 111 and name H) 5.0 1.0 1.0 volume=0.113 peak=3086 ppm1=2.640 ppm2=8.907
assign ( resid 108 and name HA) ( resid 109 and name HB2) 7.7 1.5 0.3 volume=0.009 peak=371 ppm1=4.418 ppm2=1.998
assign ( resid 86 and name HA) ( resid 85 and name HA) 4.8 1.0 1.0 volume=0.145 peak=1667 ppm1=3.618 ppm2=5.165
assign ( resid 10 and name HG1*) ( resid 11 and name H) 3.5 0.7 0.7 volume=1.050 peak=2241 ppm1=0.604 ppm2=8.630
assign ( resid 100 and name HD3) ( resid 96 and name HB3) 4.1 0.8 0.8 volume=0.372 peak=2403 ppm1=3.105 ppm2=2.100
assign ( resid 117 and name HA) ( resid 116 and name HG) 4.9 1.0 1.0 volume=0.140 peak=1241 ppm1=3.713 ppm2=1.130
assign ( resid 69 and name HG2) ( resid 68 and name HA) 3.6 0.7 0.7 volume=0.871 peak=1382 ppm1=2.178 ppm2=4.878
assign ( resid 70 and name HG1*) ( resid 85 and name HA) 4.3 0.9 0.9 volume=0.284 peak=1063 ppm1=1.009 ppm2=5.158
assign ( resid 25 and name HG1*) ( resid 18 and name HE1) 3.8 0.8 0.8 volume=0.566 peak=2501 ppm1=0.680 ppm2=10.288
assign ( resid 13 and name HB2) ( resid 14 and name HA) 4.9 1.0 1.0 volume=0.130 peak=3128 ppm1=2.196 ppm2=4.819
assign ( resid 70 and name HG1*) ( resid 71 and name H) 3.9 0.8 0.8 volume=0.505 peak=3090 ppm1=1.014 ppm2=10.492
assign ( resid 26 and name HB*) ( resid 119 and name HE*) 3.0 0.6 0.6 volume=2.339 peak=1237 ppm1=1.259 ppm2=2.076
assign ( resid 35 and name HD2) ( resid 35 and name HE3) 3.5 0.7 0.7 volume=0.934 peak=637 ppm1=1.598 ppm2=2.836
assign ( resid 12 and name HD1*) ( resid 12 and name HG) 2.9 0.6 0.6 volume=2.974 peak=2357 ppm1=0.543 ppm2=1.451
assign ( resid 39 and name HG3) ( resid 39 and name HD2) 3.6 0.7 0.7 volume=0.802 peak=2770 ppm1=1.815 ppm2=3.412
assign ( resid 120 and name HG2*) ( resid 121 and name H) 3.3 0.7 0.7 volume=1.356 peak=863 ppm1=0.577 ppm2=8.076
assign ( resid 57 and name HB3) ( resid 57 and name HG2) 3.6 0.7 0.7 volume=0.855 peak=2284 ppm1=1.406 ppm2=1.108
assign ( resid 61 and name HB2) ( resid 62 and name H) 4.2 0.8 0.8 volume=0.336 peak=112 ppm1=2.704 ppm2=7.735
assign ( resid 66 and name HB3) ( resid 66 and name HE*) 4.9 1.0 1.0 volume=0.133 peak=2406 ppm1=2.874 ppm2=6.049
assign ( resid 21 and name HG2) ( resid 22 and name H) 4.0 0.8 0.8 volume=0.429 peak=2912 ppm1=1.215 ppm2=8.656
assign ( resid 41 and name HB3) ( resid 41 and name HA) 3.6 0.7 0.7 volume=0.800 peak=981 ppm1=2.002 ppm2=4.252
assign ( resid 94 and name HA3) ( resid 95 and name HB3) 5.0 1.0 1.0 volume=0.122 peak=10 ppm1=3.860 ppm2=2.601
assign ( resid 122 and name HB3) ( resid 123 and name HA3) 6.7 1.3 1.3 volume=0.021 peak=2376 ppm1=1.674 ppm2=3.323
assign ( resid 111 and name HB3) ( resid 112 and name H) 4.6 0.9 0.9 volume=0.201 peak=2813 ppm1=4.113 ppm2=6.732
assign ( resid 31 and name HD1*) ( resid 106 and name HA) 3.9 0.8 0.8 volume=0.544 peak=518 ppm1=0.436 ppm2=3.909
assign ( resid 127 and name HD1*) ( resid 127 and name HA) 3.3 0.7 0.7 volume=1.324 peak=2631 ppm1=0.820 ppm2=5.016
assign ( resid 50 and name HB3) ( resid 50 and name HB2) 3.8 0.8 0.8 volume=0.591 peak=164 ppm1=1.337 ppm2=1.609
assign ( resid 96 and name HD2*) ( resid 96 and name HB3) 3.0 0.6 0.6 volume=2.426 peak=1675 ppm1=0.722 ppm2=2.103
assign ( resid 39 and name HB3) ( resid 39 and name HA) 3.8 0.8 0.8 volume=0.569 peak=2141 ppm1=1.805 ppm2=4.160
assign ( resid 110 and name HA) ( resid 110 and name HD3) 4.2 0.8 0.8 volume=0.359 peak=2121 ppm1=3.994 ppm2=3.918
assign ( resid 98 and name HD2) ( resid 98 and name HE3) 3.1 0.6 0.6 volume=2.102 peak=1543 ppm1=1.242 ppm2=2.748
assign ( resid 36 and name HG3) ( resid 36 and name HB3) 2.3 0.5 0.5 volume=11.502 peak=354 ppm1=2.022 ppm2=1.998
assign ( resid 96 and name HB2) ( resid 96 and name HG) 4.3 0.9 0.9 volume=0.302 peak=3137 ppm1=1.119 ppm2=1.725
assign ( resid 27 and name HB2) ( resid 28 and name HA) 4.8 1.0 1.0 volume=0.148 peak=352 ppm1=1.399 ppm2=4.986
assign ( resid 92 and name HB2) ( resid 92 and name HD*) 4.6 0.9 0.9 volume=0.206 peak=1319 ppm1=2.311 ppm2=6.763
assign ( resid 9 and name HG3) ( resid 9 and name HB3) 3.1 0.6 0.6 volume=1.968 peak=2561 ppm1=2.542 ppm2=2.565
assign ( resid 115 and name HB2) ( resid 115 and name HG3) 3.1 0.6 0.6 volume=2.241 peak=717 ppm1=1.998 ppm2=2.355
assign ( resid 113 and name HA) ( resid 113 and name HG2) 3.8 0.8 0.8 volume=0.595 peak=140 ppm1=4.076 ppm2=2.175
assign ( resid 57 and name HE2) ( resid 57 and name HA) 4.2 0.8 0.8 volume=0.352 peak=2291 ppm1=2.764 ppm2=4.646
assign ( resid 21 and name HE2) ( resid 21 and name HB2) 3.6 0.7 0.7 volume=0.782 peak=296 ppm1=3.023 ppm2=1.109
assign ( resid 111 and name HB3) ( resid 111 and name H) 5.0 1.0 1.0 volume=0.121 peak=1662 ppm1=4.113 ppm2=8.916
assign ( resid 40 and name HB) ( resid 40 and name HG2*) 3.9 0.8 0.8 volume=0.555 peak=2186 ppm1=3.673 ppm2=1.124
assign ( resid 51 and name HB3) ( resid 51 and name HG3) 2.8 0.6 0.6 volume=3.841 peak=2101 ppm1=2.051 ppm2=2.271
assign ( resid 8 and name HG2*) ( resid 8 and name HB) 3.0 0.6 0.6 volume=2.487 peak=2564 ppm1=0.869 ppm2=1.891
assign ( resid 3 and name HG2) ( resid 4 and name H) 4.6 0.9 0.9 volume=0.196 peak=2323 ppm1=2.331 ppm2=8.359
assign ( resid 90 and name HB2) ( resid 90 and name HA) 3.1 0.6 0.6 volume=1.951 peak=2822 ppm1=2.296 ppm2=4.489
assign ( resid 110 and name HA) ( resid 110 and name HB2) 3.6 0.7 0.7 volume=0.837 peak=2785 ppm1=3.996 ppm2=2.636
assign ( resid 69 and name HD3) ( resid 69 and name HB2) 3.7 0.7 0.7 volume=0.678 peak=527 ppm1=3.652 ppm2=2.232
assign ( resid 109 and name HD3) ( resid 109 and name HG3) 5.1 1.0 1.0 volume=0.107 peak=243 ppm1=2.938 ppm2=-0.112
assign ( resid 39 and name HA) ( resid 39 and name HG3) 3.5 0.7 0.7 volume=1.032 peak=623 ppm1=4.156 ppm2=1.819
assign ( resid 57 and name HD2) ( resid 57 and name HA) 3.9 0.8 0.8 volume=0.544 peak=1035 ppm1=1.497 ppm2=4.646
assign ( resid 90 and name HA) ( resid 90 and name HB3) 3.4 0.7 0.7 volume=1.174 peak=643 ppm1=4.485 ppm2=2.000
assign ( resid 25 and name HG2*) ( resid 25 and name H) 3.2 0.6 0.6 volume=1.844 peak=1444 ppm1=0.805 ppm2=8.686
assign ( resid 52 and name HB3) ( resid 52 and name HA) 3.4 0.7 0.7 volume=1.173 peak=2168 ppm1=1.822 ppm2=4.973
assign ( resid 52 and name HB2) ( resid 53 and name H) 3.7 0.7 0.7 volume=0.768 peak=2560 ppm1=1.925 ppm2=8.344
assign ( resid 31 and name HG12) ( resid 31 and name HD1*) 3.2 0.6 0.6 volume=1.742 peak=289 ppm1=0.788 ppm2=0.439
assign ( resid 27 and name HA) ( resid 28 and name H) 3.6 0.7 0.7 volume=0.839 peak=408 ppm1=4.489 ppm2=8.434
assign ( resid 36 and name HA) ( resid 36 and name HB2) 3.7 0.7 0.7 volume=0.743 peak=1603 ppm1=4.378 ppm2=2.518
assign ( resid 85 and name HA) ( resid 86 and name H) 4.2 0.8 0.8 volume=0.350 peak=1726 ppm1=5.152 ppm2=8.050
assign ( resid 13 and name HG3) ( resid 14 and name H) 3.8 0.8 0.8 volume=0.617 peak=1844 ppm1=2.258 ppm2=7.708
assign ( resid 92 and name HB3) ( resid 92 and name HD*) 4.3 0.9 0.9 volume=0.284 peak=2839 ppm1=2.560 ppm2=6.763
assign ( resid 122 and name HD2) ( resid 122 and name HE3) 4.0 0.8 0.8 volume=0.451 peak=735 ppm1=1.785 ppm2=3.098
assign ( resid 69 and name HG3) ( resid 69 and name HB3) 2.4 0.5 0.5 volume=9.401 peak=589 ppm1=1.903 ppm2=1.898
assign ( resid 59 and name HB) ( resid 59 and name H) 3.7 0.7 0.7 volume=0.717 peak=1568 ppm1=3.851 ppm2=8.683
assign ( resid 122 and name HG3) ( resid 122 and name HB2) 3.6 0.7 0.7 volume=0.812 peak=1700 ppm1=1.053 ppm2=1.691
assign ( resid 114 and name HE2) ( resid 114 and name HG3) 2.9 0.6 0.6 volume=3.151 peak=2493 ppm1=2.985 ppm2=1.352
assign ( resid 69 and name HG2) ( resid 69 and name HD3) 3.3 0.7 0.7 volume=1.376 peak=1155 ppm1=2.176 ppm2=3.648
assign ( resid 47 and name HG1*) ( resid 48 and name H) 3.7 0.7 0.7 volume=0.738 peak=361 ppm1=0.694 ppm2=8.351
assign ( resid 94 and name HA2) ( resid 95 and name H) 3.8 0.8 0.8 volume=0.646 peak=2539 ppm1=3.969 ppm2=8.530
assign ( resid 25 and name HA) ( resid 26 and name HB*) 3.9 0.8 0.8 volume=0.517 peak=189 ppm1=3.250 ppm2=1.264
assign ( resid 100 and name HB3) ( resid 100 and name HD2) 4.1 0.8 0.8 volume=0.395 peak=1297 ppm1=1.481 ppm2=3.221
assign ( resid 51 and name HB3) ( resid 52 and name H) 4.1 0.8 0.8 volume=0.371 peak=700 ppm1=2.051 ppm2=8.698
assign ( resid 71 and name HA) ( resid 70 and name HB) 4.5 0.9 0.9 volume=0.214 peak=51 ppm1=4.318 ppm2=2.815
assign ( resid 65 and name HG2) ( resid 65 and name HD3) 3.3 0.7 0.7 volume=1.541 peak=1430 ppm1=2.022 ppm2=3.885
assign ( resid 87 and name HB3) ( resid 88 and name HA) 4.8 1.0 1.0 volume=0.159 peak=2466 ppm1=2.722 ppm2=4.646
assign ( resid 126 and name HB) ( resid 126 and name HG1*) 3.7 0.7 0.7 volume=0.761 peak=368 ppm1=1.807 ppm2=0.839
assign ( resid 20 and name HA) ( resid 19 and name HB2) 3.6 0.7 0.7 volume=0.797 peak=2850 ppm1=4.449 ppm2=2.705
assign ( resid 8 and name HA) ( resid 9 and name H) 3.9 0.8 0.8 volume=0.542 peak=2853 ppm1=5.297 ppm2=9.748
assign ( resid 113 and name HB2) ( resid 113 and name HA) 4.9 1.0 1.0 volume=0.132 peak=3106 ppm1=2.168 ppm2=4.080
assign ( resid 73 and name HB2) ( resid 73 and name HE1) 5.1 1.0 1.0 volume=0.100 peak=3151 ppm1=3.061 ppm2=10.287
assign ( resid 17 and name HE*) ( resid 28 and name HA) 3.8 0.8 0.8 volume=0.630 peak=812 ppm1=1.476 ppm2=4.978
assign ( resid 56 and name HA) ( resid 56 and name HD2*) 3.3 0.7 0.7 volume=1.346 peak=328 ppm1=4.044 ppm2=-0.593
assign ( resid 11 and name HB2) ( resid 11 and name H) 4.5 0.9 0.9 volume=0.215 peak=841 ppm1=3.109 ppm2=8.629
assign ( resid 27 and name HB2) ( resid 19 and name HA) 4.8 1.0 1.0 volume=0.157 peak=2311 ppm1=1.377 ppm2=5.358
assign ( resid 9 and name HB3) ( resid 9 and name HG3) 3.5 0.7 0.7 volume=1.088 peak=2245 ppm1=2.561 ppm2=2.546
assign ( resid 52 and name HB2) ( resid 52 and name HG3) 3.3 0.7 0.7 volume=1.371 peak=2717 ppm1=1.925 ppm2=2.381
assign ( resid 59 and name HG2*) ( resid 59 and name HA) 2.6 0.5 0.5 volume=6.295 peak=3123 ppm1=1.126 ppm2=4.771
assign ( resid 115 and name HA) ( resid 115 and name HB2) 2.9 0.6 0.6 volume=3.230 peak=919 ppm1=3.954 ppm2=2.002
assign ( resid 121 and name HG3) ( resid 121 and name H) 3.5 0.7 0.7 volume=1.003 peak=1440 ppm1=2.387 ppm2=8.079
assign ( resid 69 and name HB2) ( resid 70 and name HA) 4.6 0.9 0.9 volume=0.200 peak=315 ppm1=2.228 ppm2=4.747
assign ( resid 30 and name HA) ( resid 29 and name HA) 4.4 0.9 0.9 volume=0.240 peak=1861 ppm1=5.347 ppm2=4.349
assign ( resid 53 and name HA) ( resid 54 and name HB*) 4.3 0.9 0.9 volume=0.311 peak=1110 ppm1=4.409 ppm2=0.946
assign ( resid 98 and name HB3) ( resid 98 and name HG3) 4.2 0.8 0.8 volume=0.315 peak=395 ppm1=1.398 ppm2=-0.328
assign ( resid 98 and name HE3) ( resid 97 and name HZ2) 3.5 0.7 0.7 volume=0.944 peak=275 ppm1=2.744 ppm2=7.466
assign ( resid 54 and name HA) ( resid 54 and name HB*) 3.4 0.7 0.7 volume=1.292 peak=1168 ppm1=4.499 ppm2=0.938
assign ( resid 125 and name HB3) ( resid 125 and name HA) 4.3 0.9 0.9 volume=0.290 peak=1585 ppm1=1.905 ppm2=4.467
assign ( resid 116 and name HA) ( resid 115 and name HB2) 4.5 0.9 0.9 volume=0.224 peak=594 ppm1=3.550 ppm2=2.002
assign ( resid 114 and name HD3) ( resid 114 and name HB2) 3.0 0.6 0.6 volume=2.718 peak=1478 ppm1=1.711 ppm2=1.802
assign ( resid 124 and name HG2*) ( resid 124 and name HB) 3.2 0.6 0.6 volume=1.635 peak=2527 ppm1=1.563 ppm2=3.802
assign ( resid 56 and name HD1*) ( resid 56 and name HB3) 3.5 0.7 0.7 volume=1.007 peak=3140 ppm1=-0.082 ppm2=1.570
assign ( resid 127 and name HB3) ( resid 128 and name H) 4.7 0.9 0.9 volume=0.177 peak=1203 ppm1=1.838 ppm2=9.064
assign ( resid 56 and name HB3) ( resid 56 and name H) 5.1 1.0 1.0 volume=0.107 peak=3164 ppm1=1.564 ppm2=8.259
assign ( resid 39 and name HD2) ( resid 39 and name HB3) 3.5 0.7 0.7 volume=1.034 peak=2531 ppm1=3.408 ppm2=1.809
assign ( resid 13 and name HA) ( resid 13 and name HG2) 3.1 0.6 0.6 volume=1.992 peak=2384 ppm1=3.985 ppm2=2.348
assign ( resid 125 and name HG3) ( resid 7 and name HA) 4.8 1.0 1.0 volume=0.156 peak=2571 ppm1=2.356 ppm2=5.078
assign ( resid 76 and name HG12) ( resid 76 and name HG2*) 3.6 0.7 0.7 volume=0.790 peak=3040 ppm1=0.352 ppm2=0.656
assign ( resid 3 and name HB3) ( resid 2 and name HA) 4.2 0.8 0.8 volume=0.333 peak=1300 ppm1=1.740 ppm2=4.632
assign ( resid 70 and name HG2*) ( resid 73 and name HA) 3.9 0.8 0.8 volume=0.496 peak=2939 ppm1=0.621 ppm2=5.709
assign ( resid 29 and name HA) ( resid 29 and name HG2*) 3.6 0.7 0.7 volume=0.912 peak=2269 ppm1=4.338 ppm2=0.558
assign ( resid 70 and name HG2*) ( resid 54 and name HA) 3.9 0.8 0.8 volume=0.501 peak=178 ppm1=0.620 ppm2=4.496
assign ( resid 31 and name HB) ( resid 32 and name H) 4.2 0.8 0.8 volume=0.320 peak=3113 ppm1=1.854 ppm2=8.252
assign ( resid 21 and name HE2) ( resid 21 and name HG2) 2.8 0.6 0.6 volume=3.544 peak=1112 ppm1=3.022 ppm2=1.212
assign ( resid 108 and name HA) ( resid 109 and name HG2) 4.9 1.0 1.0 volume=0.140 peak=507 ppm1=4.420 ppm2=1.377
assign ( resid 24 and name HD3) ( resid 24 and name HE3) 2.9 0.6 0.6 volume=3.373 peak=1926 ppm1=1.657 ppm2=3.015
assign ( resid 100 and name HD2) ( resid 100 and name HE) 4.2 0.8 0.8 volume=0.318 peak=1779 ppm1=3.220 ppm2=7.187
assign ( resid 85 and name HA) ( resid 86 and name HB3) 4.6 0.9 0.9 volume=0.182 peak=1428 ppm1=5.152 ppm2=2.426
assign ( resid 94 and name HA2) ( resid 93 and name H) 4.6 0.9 0.9 volume=0.202 peak=1918 ppm1=3.969 ppm2=7.968
assign ( resid 23 and name HA3) ( resid 23 and name H) 3.5 0.7 0.7 volume=0.980 peak=3186 ppm1=4.205 ppm2=8.839
assign ( resid 24 and name HB2) ( resid 24 and name HG3) 3.0 0.6 0.6 volume=2.674 peak=239 ppm1=1.763 ppm2=1.391
assign ( resid 98 and name HE3) ( resid 98 and name HD3) 3.1 0.6 0.6 volume=1.980 peak=525 ppm1=2.744 ppm2=1.261
assign ( resid 9 and name HB3) ( resid 9 and name H) 4.3 0.9 0.9 volume=0.310 peak=1702 ppm1=2.561 ppm2=9.759
assign ( resid 69 and name HD3) ( resid 68 and name HB2) 4.5 0.9 0.9 volume=0.218 peak=1365 ppm1=3.652 ppm2=3.346
assign ( resid 21 and name HB3) ( resid 21 and name H) 4.1 0.8 0.8 volume=0.365 peak=2591 ppm1=1.522 ppm2=8.464
assign ( resid 27 and name HA) ( resid 27 and name H) 4.2 0.8 0.8 volume=0.323 peak=1271 ppm1=4.488 ppm2=7.648
assign ( resid 119 and name HA) ( resid 118 and name HA2) 5.1 1.0 1.0 volume=0.107 peak=1537 ppm1=4.452 ppm2=3.813
assign ( resid 17 and name HA) ( resid 29 and name H) 4.5 0.9 0.9 volume=0.214 peak=991 ppm1=5.635 ppm2=8.032
assign ( resid 55 and name HB) ( resid 54 and name HA) 4.0 0.8 0.8 volume=0.420 peak=668 ppm1=3.748 ppm2=4.495
assign ( resid 35 and name HE3) ( resid 35 and name HD2) 3.2 0.6 0.6 volume=1.801 peak=2891 ppm1=2.831 ppm2=1.601
assign ( resid 29 and name HG2*) ( resid 112 and name HG2*) 3.2 0.6 0.6 volume=1.819 peak=1655 ppm1=0.552 ppm2=0.878
assign ( resid 56 and name HD1*) ( resid 88 and name HZ2) 4.3 0.9 0.9 volume=0.296 peak=1294 ppm1=-0.087 ppm2=7.741
assign ( resid 11 and name HA) ( resid 12 and name H) 3.8 0.8 0.8 volume=0.644 peak=2448 ppm1=4.283 ppm2=9.543
assign ( resid 65 and name HG2) ( resid 65 and name HD2) 3.2 0.6 0.6 volume=1.708 peak=2632 ppm1=2.022 ppm2=3.698
assign ( resid 57 and name HD3) ( resid 57 and name HB3) 2.8 0.6 0.6 volume=3.436 peak=1798 ppm1=1.483 ppm2=1.410
assign ( resid 17 and name HE*) ( resid 19 and name HA) 4.3 0.9 0.9 volume=0.283 peak=976 ppm1=1.476 ppm2=5.358
assign ( resid 76 and name HD1*) ( resid 45 and name HB3) 3.7 0.7 0.7 volume=0.681 peak=2757 ppm1=0.173 ppm2=2.459
assign ( resid 99 and name HG2*) ( resid 100 and name H) 3.6 0.7 0.7 volume=0.782 peak=177 ppm1=1.080 ppm2=8.902
assign ( resid 98 and name HB2) ( resid 98 and name HD3) 3.8 0.8 0.8 volume=0.659 peak=126 ppm1=1.429 ppm2=1.261
assign ( resid 32 and name HG2*) ( resid 97 and name H) 4.5 0.9 0.9 volume=0.223 peak=729 ppm1=1.008 ppm2=9.574
assign ( resid 4 and name HA) ( resid 3 and name HB2) 3.9 0.8 0.8 volume=0.528 peak=883 ppm1=4.303 ppm2=1.934
assign ( resid 110 and name HD3) ( resid 110 and name HG2) 4.3 0.9 0.9 volume=0.294 peak=3158 ppm1=3.914 ppm2=1.816
assign ( resid 113 and name HB2) ( resid 113 and name HG2) 3.9 0.8 0.8 volume=0.524 peak=59 ppm1=2.171 ppm2=2.172
assign ( resid 67 and name HG2) ( resid 67 and name HB2) 2.9 0.6 0.6 volume=3.281 peak=2270 ppm1=1.889 ppm2=1.695
assign ( resid 23 and name HA3) ( resid 24 and name H) 4.1 0.8 0.8 volume=0.414 peak=942 ppm1=4.205 ppm2=7.602
assign ( resid 12 and name HB2) ( resid 13 and name H) 4.4 0.9 0.9 volume=0.247 peak=2743 ppm1=1.797 ppm2=9.102
assign ( resid 50 and name HE2) ( resid 50 and name HB3) 2.8 0.6 0.6 volume=3.858 peak=385 ppm1=2.995 ppm2=1.345
assign ( resid 107 and name HA) ( resid 107 and name H) 5.1 1.0 1.0 volume=0.109 peak=2351 ppm1=3.986 ppm2=8.911
assign ( resid 122 and name HA) ( resid 122 and name H) 4.5 0.9 0.9 volume=0.229 peak=2305 ppm1=3.682 ppm2=9.192
assign ( resid 31 and name HG2*) ( resid 31 and name HD1*) 2.9 0.6 0.6 volume=3.040 peak=2940 ppm1=0.611 ppm2=0.439
assign ( resid 25 and name HG2*) ( resid 20 and name HE*) 3.9 0.8 0.8 volume=0.531 peak=1049 ppm1=0.804 ppm2=6.385
assign ( resid 127 and name HD2*) ( resid 127 and name HG) 2.9 0.6 0.6 volume=2.951 peak=1989 ppm1=0.796 ppm2=1.740
assign ( resid 12 and name HA) ( resid 13 and name H) 4.6 0.9 0.9 volume=0.207 peak=288 ppm1=3.683 ppm2=9.102
assign ( resid 2 and name HB2) ( resid 3 and name HG3) 4.6 0.9 0.9 volume=0.198 peak=2111 ppm1=3.049 ppm2=2.408
assign ( resid 26 and name HB*) ( resid 116 and name HD2*) 4.0 0.8 0.8 volume=0.449 peak=1395 ppm1=1.258 ppm2=0.373
assign ( resid 31 and name HG2*) ( resid 32 and name H) 3.5 0.7 0.7 volume=0.996 peak=1567 ppm1=0.611 ppm2=8.252
assign ( resid 110 and name HB3) ( resid 110 and name HG2) 3.9 0.8 0.8 volume=0.546 peak=2909 ppm1=2.118 ppm2=1.816
assign ( resid 51 and name HB3) ( resid 50 and name HA) 4.3 0.9 0.9 volume=0.288 peak=2556 ppm1=2.051 ppm2=4.772
assign ( resid 22 and name HB2) ( resid 23 and name HA3) 3.6 0.7 0.7 volume=0.792 peak=755 ppm1=2.673 ppm2=4.209
assign ( resid 128 and name HG2*) ( resid 128 and name HA) 3.1 0.6 0.6 volume=1.979 peak=949 ppm1=0.798 ppm2=5.041
assign ( resid 60 and name HB3) ( resid 60 and name HD22) 4.6 0.9 0.9 volume=0.200 peak=1808 ppm1=3.072 ppm2=6.887
assign ( resid 71 and name HA) ( resid 72 and name HB3) 4.3 0.9 0.9 volume=0.302 peak=513 ppm1=4.318 ppm2=2.467
assign ( resid 17 and name HE*) ( resid 108 and name H) 4.5 0.9 0.9 volume=0.228 peak=545 ppm1=1.474 ppm2=8.153
assign ( resid 57 and name HB2) ( resid 57 and name HD2) 3.4 0.7 0.7 volume=1.231 peak=1764 ppm1=1.596 ppm2=1.501
assign ( resid 23 and name HA2) ( resid 22 and name HB2) 3.9 0.8 0.8 volume=0.520 peak=1313 ppm1=3.759 ppm2=2.677
assign ( resid 51 and name HB3) ( resid 51 and name H) 4.1 0.8 0.8 volume=0.404 peak=320 ppm1=2.051 ppm2=9.566
assign ( resid 24 and name HG2) ( resid 24 and name H) 3.2 0.6 0.6 volume=1.659 peak=959 ppm1=1.396 ppm2=7.597
assign ( resid 21 and name HE3) ( resid 21 and name HD2) 2.4 0.5 0.5 volume=8.806 peak=2219 ppm1=2.997 ppm2=1.755
assign ( resid 19 and name HB3) ( resid 19 and name HD*) 4.1 0.8 0.8 volume=0.362 peak=470 ppm1=2.564 ppm2=6.863
assign ( resid 100 and name HG2) ( resid 100 and name HB3) 3.1 0.6 0.6 volume=1.931 peak=3045 ppm1=1.651 ppm2=1.485
assign ( resid 27 and name HB2) ( resid 27 and name HG) 3.3 0.7 0.7 volume=1.460 peak=67 ppm1=1.399 ppm2=1.534
assign ( resid 40 and name HA) ( resid 40 and name H) 5.7 1.1 1.1 volume=0.052 peak=211 ppm1=4.381 ppm2=8.624
assign ( resid 50 and name HB3) ( resid 50 and name HD3) 4.2 0.8 0.8 volume=0.340 peak=848 ppm1=1.341 ppm2=1.838
assign ( resid 70 and name HG2*) ( resid 74 and name H) 4.2 0.8 0.8 volume=0.357 peak=795 ppm1=0.622 ppm2=8.017
assign ( resid 50 and name HB3) ( resid 50 and name HA) 4.4 0.9 0.9 volume=0.245 peak=1643 ppm1=1.341 ppm2=4.772
assign ( resid 50 and name HG2) ( resid 50 and name H) 4.9 1.0 1.0 volume=0.135 peak=1885 ppm1=0.729 ppm2=7.678
assign ( resid 95 and name HA) ( resid 96 and name H) 4.5 0.9 0.9 volume=0.230 peak=528 ppm1=5.155 ppm2=7.946
assign ( resid 13 and name HB3) ( resid 13 and name H) 3.3 0.7 0.7 volume=1.431 peak=1169 ppm1=2.066 ppm2=9.097
assign ( resid 90 and name HG2) ( resid 90 and name HD3) 3.9 0.8 0.8 volume=0.555 peak=2253 ppm1=1.953 ppm2=4.005
assign ( resid 110 and name HG2) ( resid 110 and name HD2) 4.3 0.9 0.9 volume=0.278 peak=2036 ppm1=1.812 ppm2=3.824
assign ( resid 68 and name HB2) ( resid 68 and name HA) 3.9 0.8 0.8 volume=0.549 peak=446 ppm1=3.343 ppm2=4.862
assign ( resid 91 and name HG2) ( resid 91 and name HB3) 2.8 0.6 0.6 volume=4.066 peak=12 ppm1=2.123 ppm2=1.958
assign ( resid 65 and name HB3) ( resid 65 and name HA) 3.3 0.7 0.7 volume=1.399 peak=2233 ppm1=1.827 ppm2=4.960
assign ( resid 91 and name HG3) ( resid 91 and name H) 3.8 0.8 0.8 volume=0.603 peak=1220 ppm1=2.214 ppm2=7.021
assign ( resid 12 and name HD1*) ( resid 40 and name HG2*) 3.3 0.7 0.7 volume=1.406 peak=1341 ppm1=0.545 ppm2=1.122
assign ( resid 35 and name HB2) ( resid 35 and name HG2) 3.9 0.8 0.8 volume=0.488 peak=1495 ppm1=2.125 ppm2=1.598
assign ( resid 31 and name HD1*) ( resid 32 and name HA) 3.3 0.7 0.7 volume=1.527 peak=1156 ppm1=0.435 ppm2=4.806
assign ( resid 110 and name HA) ( resid 109 and name HB3) 4.8 1.0 1.0 volume=0.158 peak=2579 ppm1=3.994 ppm2=1.335
assign ( resid 119 and name HB3) ( resid 119 and name HE*) 2.8 0.6 0.6 volume=3.814 peak=1091 ppm1=2.118 ppm2=2.074
assign ( resid 104 and name HA3) ( resid 104 and name HA2) 4.1 0.8 0.8 volume=0.389 peak=260 ppm1=3.185 ppm2=4.379
assign ( resid 89 and name HA) ( resid 90 and name HG2) 4.4 0.9 0.9 volume=0.258 peak=343 ppm1=5.165 ppm2=1.957
assign ( resid 68 and name HB3) ( resid 70 and name HA) 4.1 0.8 0.8 volume=0.402 peak=404 ppm1=3.389 ppm2=4.767
assign ( resid 92 and name HA) ( resid 92 and name H) 4.6 0.9 0.9 volume=0.194 peak=2918 ppm1=4.438 ppm2=8.629
assign ( resid 41 and name HD3) ( resid 41 and name HB2) 4.1 0.8 0.8 volume=0.384 peak=2844 ppm1=3.675 ppm2=1.849
assign ( resid 106 and name HG2*) ( resid 32 and name H) 3.7 0.7 0.7 volume=0.679 peak=854 ppm1=0.632 ppm2=8.255
assign ( resid 113 and name HE*) ( resid 113 and name HG2) 3.1 0.6 0.6 volume=2.159 peak=2265 ppm1=2.071 ppm2=2.175
assign ( resid 99 and name HG2*) ( resid 99 and name HA) 2.5 0.5 0.5 volume=6.762 peak=170 ppm1=1.077 ppm2=4.490
assign ( resid 90 and name HD2) ( resid 90 and name HG2) 3.8 0.8 0.8 volume=0.574 peak=2913 ppm1=4.087 ppm2=1.960
assign ( resid 23 and name HA3) ( resid 22 and name HB2) 3.7 0.7 0.7 volume=0.707 peak=1491 ppm1=4.205 ppm2=2.677
assign ( resid 39 and name HG3) ( resid 39 and name HB3) 3.2 0.6 0.6 volume=1.771 peak=1852 ppm1=1.815 ppm2=1.809
assign ( resid 64 and name HA) ( resid 65 and name HD3) 3.8 0.8 0.8 volume=0.578 peak=1007 ppm1=4.566 ppm2=3.885
assign ( resid 114 and name HA) ( resid 113 and name HB3) 3.9 0.8 0.8 volume=0.544 peak=2328 ppm1=2.843 ppm2=1.388
assign ( resid 100 and name HD3) ( resid 96 and name HD1*) 3.5 0.7 0.7 volume=0.934 peak=979 ppm1=3.103 ppm2=0.619
assign ( resid 114 and name HG3) ( resid 114 and name HB3) 3.3 0.7 0.7 volume=1.391 peak=464 ppm1=1.348 ppm2=1.768
assign ( resid 38 and name HG2*) ( resid 38 and name HA) 3.0 0.6 0.6 volume=2.388 peak=2612 ppm1=1.124 ppm2=4.581
assign ( resid 13 and name HB3) ( resid 13 and name HG2) 3.1 0.6 0.6 volume=2.270 peak=2012 ppm1=2.061 ppm2=2.347
assign ( resid 70 and name HG1*) ( resid 84 and name HB2) 3.8 0.8 0.8 volume=0.638 peak=259 ppm1=1.013 ppm2=3.998
assign ( resid 24 and name HB2) ( resid 25 and name H) 3.7 0.7 0.7 volume=0.757 peak=249 ppm1=1.767 ppm2=8.689
assign ( resid 96 and name HD2*) ( resid 96 and name HA) 2.6 0.5 0.5 volume=5.634 peak=2618 ppm1=0.722 ppm2=3.876
assign ( resid 25 and name HG1*) ( resid 20 and name HE*) 3.1 0.6 0.6 volume=2.133 peak=2248 ppm1=0.680 ppm2=6.385
assign ( resid 31 and name HG12) ( resid 31 and name H) 3.8 0.8 0.8 volume=0.565 peak=3138 ppm1=0.794 ppm2=7.629
assign ( resid 27 and name HA) ( resid 28 and name HB2) 3.9 0.8 0.8 volume=0.517 peak=1272 ppm1=4.489 ppm2=1.497
assign ( resid 81 and name HG2*) ( resid 81 and name HB) 2.9 0.6 0.6 volume=2.893 peak=1804 ppm1=0.582 ppm2=1.604
assign ( resid 32 and name HG2*) ( resid 92 and name HD*) 3.2 0.6 0.6 volume=1.637 peak=989 ppm1=1.010 ppm2=6.763
assign ( resid 44 and name HG2*) ( resid 44 and name H) 3.2 0.6 0.6 volume=1.636 peak=705 ppm1=0.875 ppm2=7.475
assign ( resid 13 and name HB3) ( resid 12 and name H) 4.6 0.9 0.9 volume=0.187 peak=13 ppm1=2.071 ppm2=9.552
assign ( resid 12 and name HD1*) ( resid 12 and name HB3) 3.2 0.6 0.6 volume=1.668 peak=487 ppm1=0.544 ppm2=0.947
assign ( resid 129 and name HB2) ( resid 129 and name HA) 3.3 0.7 0.7 volume=1.475 peak=2252 ppm1=3.169 ppm2=4.788
assign ( resid 100 and name HG3) ( resid 100 and name HB2) 3.3 0.7 0.7 volume=1.490 peak=2439 ppm1=1.668 ppm2=2.286
assign ( resid 110 and name HG2) ( resid 109 and name HA) 4.6 0.9 0.9 volume=0.190 peak=1287 ppm1=1.812 ppm2=4.419
assign ( resid 45 and name HA) ( resid 45 and name HD*) 4.6 0.9 0.9 volume=0.186 peak=529 ppm1=5.054 ppm2=7.158
assign ( resid 66 and name HB2) ( resid 67 and name HA) 4.4 0.9 0.9 volume=0.244 peak=1727 ppm1=2.592 ppm2=4.974
assign ( resid 67 and name HB3) ( resid 67 and name HA) 3.6 0.7 0.7 volume=0.915 peak=68 ppm1=1.731 ppm2=4.974
assign ( resid 98 and name HD3) ( resid 97 and name HE1) 4.8 1.0 1.0 volume=0.148 peak=2432 ppm1=1.258 ppm2=10.661
assign ( resid 64 and name HB) ( resid 65 and name HD3) 3.5 0.7 0.7 volume=0.919 peak=921 ppm1=4.330 ppm2=3.885
assign ( resid 26 and name HB*) ( resid 20 and name H) 4.3 0.9 0.9 volume=0.297 peak=2266 ppm1=1.259 ppm2=8.960
assign ( resid 119 and name HB2) ( resid 119 and name HG3) 3.7 0.7 0.7 volume=0.706 peak=257 ppm1=1.970 ppm2=2.562
assign ( resid 35 and name HG3) ( resid 35 and name HE3) 4.2 0.8 0.8 volume=0.348 peak=32 ppm1=1.177 ppm2=2.836
assign ( resid 26 and name HB*) ( resid 27 and name HA) 2.7 0.5 0.5 volume=4.373 peak=333 ppm1=1.260 ppm2=4.493
assign ( resid 32 and name HB) ( resid 32 and name HG1*) 3.7 0.7 0.7 volume=0.770 peak=1080 ppm1=1.896 ppm2=1.121
assign ( resid 17 and name HB2) ( resid 17 and name HA) 4.6 0.9 0.9 volume=0.199 peak=452 ppm1=1.477 ppm2=5.631
assign ( resid 20 and name HB3) ( resid 21 and name H) 4.5 0.9 0.9 volume=0.214 peak=2222 ppm1=1.998 ppm2=8.458
assign ( resid 119 and name HA) ( resid 119 and name HE*) 3.6 0.7 0.7 volume=0.818 peak=3022 ppm1=4.452 ppm2=2.074
assign ( resid 7 and name HB2) ( resid 7 and name HB3) 4.2 0.8 0.8 volume=0.316 peak=862 ppm1=2.725 ppm2=3.512
assign ( resid 116 and name HA) ( resid 116 and name HB3) 4.0 0.8 0.8 volume=0.441 peak=3061 ppm1=3.550 ppm2=1.216
assign ( resid 109 and name HA) ( resid 110 and name HA) 4.8 1.0 1.0 volume=0.159 peak=1647 ppm1=4.415 ppm2=3.998
assign ( resid 127 and name HB3) ( resid 127 and name HD2*) 3.4 0.7 0.7 volume=1.242 peak=2733 ppm1=1.838 ppm2=0.808
assign ( resid 6 and name HA) ( resid 7 and name H) 3.6 0.7 0.7 volume=0.822 peak=1493 ppm1=5.208 ppm2=8.628
assign ( resid 127 and name HB3) ( resid 9 and name HA) 4.6 0.9 0.9 volume=0.204 peak=1612 ppm1=1.837 ppm2=5.761
assign ( resid 10 and name HG2*) ( resid 10 and name HA) 3.3 0.7 0.7 volume=1.378 peak=1985 ppm1=0.688 ppm2=4.531
assign ( resid 17 and name HE*) ( resid 17 and name HB2) 1.7 0.0 0.3 volume=73.130 peak=3124 ppm1=1.474 ppm2=1.477
assign ( resid 31 and name HD1*) ( resid 12 and name H) 4.3 0.9 0.9 volume=0.276 peak=736 ppm1=0.436 ppm2=9.555
assign ( resid 112 and name HB) ( resid 111 and name HA) 4.2 0.8 0.8 volume=0.331 peak=2382 ppm1=1.740 ppm2=3.892
assign ( resid 92 and name HB3) ( resid 92 and name HA) 4.5 0.9 0.9 volume=0.215 peak=2009 ppm1=2.560 ppm2=4.442
assign ( resid 25 and name HB) ( resid 25 and name HG2*) 2.9 0.6 0.6 volume=2.981 peak=807 ppm1=1.914 ppm2=0.807
assign ( resid 90 and name HG2) ( resid 90 and name HA) 3.8 0.8 0.8 volume=0.594 peak=1228 ppm1=1.953 ppm2=4.489
assign ( resid 89 and name HA) ( resid 90 and name HB3) 4.8 1.0 1.0 volume=0.147 peak=1024 ppm1=5.165 ppm2=2.000
assign ( resid 108 and name HG2*) ( resid 108 and name H) 3.8 0.8 0.8 volume=0.584 peak=639 ppm1=0.767 ppm2=8.156
assign ( resid 114 and name HE2) ( resid 114 and name HB3) 2.7 0.5 0.5 volume=4.836 peak=2882 ppm1=2.985 ppm2=1.768
assign ( resid 90 and name HB2) ( resid 91 and name H) 4.5 0.9 0.9 volume=0.235 peak=1626 ppm1=2.296 ppm2=7.021
assign ( resid 81 and name HA) ( resid 82 and name H) 4.1 0.8 0.8 volume=0.369 peak=2129 ppm1=3.719 ppm2=6.945
assign ( resid 106 and name HG12) ( resid 106 and name HD1*) 3.1 0.6 0.6 volume=1.946 peak=1181 ppm1=0.818 ppm2=0.602
assign ( resid 19 and name HA) ( resid 19 and name H) 4.7 0.9 0.9 volume=0.160 peak=2809 ppm1=5.369 ppm2=9.134
assign ( resid 90 and name HA) ( resid 90 and name HG3) 3.9 0.8 0.8 volume=0.552 peak=2090 ppm1=4.485 ppm2=2.078
assign ( resid 96 and name HB3) ( resid 96 and name H) 4.3 0.9 0.9 volume=0.289 peak=1045 ppm1=2.099 ppm2=7.946
assign ( resid 106 and name HB) ( resid 106 and name HG13) 4.8 1.0 1.0 volume=0.151 peak=281 ppm1=1.679 ppm2=1.316
assign ( resid 57 and name HD2) ( resid 57 and name H) 4.1 0.8 0.8 volume=0.396 peak=2509 ppm1=1.497 ppm2=7.988
assign ( resid 25 and name HG1*) ( resid 24 and name HG2) 3.8 0.8 0.8 volume=0.607 peak=1055 ppm1=0.683 ppm2=1.395
assign ( resid 37 and name HG2*) ( resid 37 and name HA) 2.6 0.5 0.5 volume=6.516 peak=2074 ppm1=1.285 ppm2=4.268
assign ( resid 25 and name HG1*) ( resid 26 and name HB*) 3.8 0.8 0.8 volume=0.587 peak=1614 ppm1=0.680 ppm2=1.259
assign ( resid 74 and name HE*) ( resid 116 and name HA) 3.7 0.7 0.7 volume=0.751 peak=573 ppm1=1.633 ppm2=3.553
assign ( resid 109 and name HA) ( resid 108 and name HA) 3.5 0.7 0.7 volume=0.922 peak=2390 ppm1=4.415 ppm2=4.422
assign ( resid 13 and name HA) ( resid 14 and name HB3) 3.2 0.6 0.6 volume=1.718 peak=1349 ppm1=3.985 ppm2=2.267
assign ( resid 16 and name HB2) ( resid 16 and name HD2) 4.6 0.9 0.9 volume=0.192 peak=1261 ppm1=2.671 ppm2=4.411
assign ( resid 40 and name HA) ( resid 40 and name HB) 4.1 0.8 0.8 volume=0.416 peak=3162 ppm1=4.381 ppm2=3.677
assign ( resid 21 and name HB2) ( resid 21 and name HG2) 3.1 0.6 0.6 volume=2.226 peak=804 ppm1=1.104 ppm2=1.219
assign ( resid 27 and name HB2) ( resid 27 and name HD1*) 3.4 0.7 0.7 volume=1.136 peak=31 ppm1=1.399 ppm2=0.646
assign ( resid 41 and name HG2) ( resid 41 and name HA) 4.6 0.9 0.9 volume=0.189 peak=627 ppm1=1.722 ppm2=4.245
assign ( resid 24 and name HE3) ( resid 24 and name HD3) 2.4 0.5 0.5 volume=9.180 peak=1162 ppm1=3.011 ppm2=1.660
assign ( resid 117 and name HB3) ( resid 117 and name H) 4.6 0.9 0.9 volume=0.201 peak=2696 ppm1=2.533 ppm2=8.826
assign ( resid 109 and name HG2) ( resid 109 and name HB3) 3.3 0.7 0.7 volume=1.398 peak=1715 ppm1=1.383 ppm2=1.335
assign ( resid 98 and name HE2) ( resid 98 and name HD3) 3.1 0.6 0.6 volume=1.898 peak=2619 ppm1=2.731 ppm2=1.261
assign ( resid 110 and name HG3) ( resid 110 and name HB2) 3.9 0.8 0.8 volume=0.533 peak=1943 ppm1=2.359 ppm2=2.646
assign ( resid 129 and name HB3) ( resid 129 and name HB2) 3.1 0.6 0.6 volume=1.935 peak=1211 ppm1=2.980 ppm2=3.170
assign ( resid 12 and name HD2*) ( resid 33 and name HG) 3.7 0.7 0.7 volume=0.692 peak=1180 ppm1=0.392 ppm2=5.922
assign ( resid 65 and name HD2) ( resid 65 and name HB2) 4.2 0.8 0.8 volume=0.337 peak=2358 ppm1=3.694 ppm2=2.236
assign ( resid 31 and name HD1*) ( resid 32 and name H) 3.5 0.7 0.7 volume=0.974 peak=2650 ppm1=0.436 ppm2=8.267
assign ( resid 8 and name HG12) ( resid 8 and name H) 4.8 1.0 1.0 volume=0.151 peak=935 ppm1=0.905 ppm2=9.210
assign ( resid 38 and name HG2*) ( resid 38 and name HB) 2.9 0.6 0.6 volume=3.180 peak=65 ppm1=1.123 ppm2=4.336
assign ( resid 39 and name HG2) ( resid 39 and name HD3) 3.5 0.7 0.7 volume=1.077 peak=1218 ppm1=1.956 ppm2=3.397
assign ( resid 21 and name HG2) ( resid 21 and name HE3) 3.1 0.6 0.6 volume=1.913 peak=1751 ppm1=1.215 ppm2=3.001
assign ( resid 10 and name HB) ( resid 10 and name HG2*) 3.6 0.7 0.7 volume=0.896 peak=2608 ppm1=2.145 ppm2=0.692
assign ( resid 117 and name HB3) ( resid 117 and name HA) 4.5 0.9 0.9 volume=0.233 peak=1167 ppm1=2.533 ppm2=3.722
assign ( resid 6 and name HG2*) ( resid 19 and name HD*) 3.7 0.7 0.7 volume=0.730 peak=2655 ppm1=1.582 ppm2=6.857
assign ( resid 111 and name HA) ( resid 112 and name H) 4.1 0.8 0.8 volume=0.394 peak=1277 ppm1=3.888 ppm2=6.727
assign ( resid 56 and name HB2) ( resid 57 and name H) 4.6 0.9 0.9 volume=0.206 peak=1157 ppm1=1.163 ppm2=7.979
assign ( resid 97 and name HB2) ( resid 97 and name HA) 4.8 1.0 1.0 volume=0.156 peak=89 ppm1=3.209 ppm2=3.744
assign ( resid 104 and name HA2) ( resid 103 and name HB2) 4.3 0.9 0.9 volume=0.292 peak=1452 ppm1=4.378 ppm2=3.206
assign ( resid 83 and name HD1*) ( resid 83 and name H) 3.8 0.8 0.8 volume=0.592 peak=779 ppm1=0.640 ppm2=8.222
assign ( resid 70 and name HG1*) ( resid 72 and name H) 4.0 0.8 0.8 volume=0.419 peak=2923 ppm1=1.018 ppm2=10.283
assign ( resid 98 and name HB3) ( resid 97 and name HA) 6.4 1.3 1.3 volume=0.028 peak=508 ppm1=1.398 ppm2=3.744
assign ( resid 3 and name HA) ( resid 3 and name HB3) 3.4 0.7 0.7 volume=1.170 peak=129 ppm1=4.348 ppm2=1.744
assign ( resid 50 and name HB3) ( resid 50 and name H) 4.8 1.0 1.0 volume=0.147 peak=1790 ppm1=1.341 ppm2=7.687
assign ( resid 20 and name HD*) ( resid 6 and name HA) 4.1 0.8 0.8 volume=0.377 peak=266 ppm1=6.197 ppm2=5.245
assign ( resid 16 and name HE1) ( resid 28 and name HB3) 3.4 0.7 0.7 volume=1.218 peak=174 ppm1=8.380 ppm2=1.932
assign ( resid 72 and name HE*) ( resid 110 and name HB3) 3.3 0.7 0.7 volume=1.392 peak=131 ppm1=6.491 ppm2=2.076
assign ( resid 129 and name HE*) ( resid 129 and name HB3) 3.5 0.7 0.7 volume=1.019 peak=186 ppm1=7.244 ppm2=2.968
assign ( resid 78 and name HZ2) ( resid 78 and name HH2) 3.6 0.7 0.7 volume=0.847 peak=50 ppm1=7.110 ppm2=6.967
assign ( resid 103 and name HD2) ( resid 103 and name HB3) 3.4 0.7 0.7 volume=1.221 peak=260 ppm1=7.167 ppm2=3.592
assign ( resid 7 and name HE*) ( resid 7 and name HB3) 3.8 0.8 0.8 volume=0.630 peak=83 ppm1=6.321 ppm2=3.511
assign ( resid 78 and name HE3) ( resid 78 and name HB2) 3.8 0.8 0.8 volume=0.571 peak=256 ppm1=7.363 ppm2=3.180
assign ( resid 20 and name HD*) ( resid 20 and name HE*) 2.5 0.5 0.5 volume=8.286 peak=120 ppm1=6.202 ppm2=6.380
assign ( resid 46 and name HD*) ( resid 46 and name HB2) 3.2 0.6 0.6 volume=1.665 peak=93 ppm1=6.932 ppm2=2.305
assign ( resid 97 and name HH2) ( resid 97 and name HB3) 4.5 0.9 0.9 volume=0.230 peak=96 ppm1=7.196 ppm2=3.089
assign ( resid 73 and name HD1) ( resid 51 and name HG3) 2.9 0.6 0.6 volume=2.857 peak=5 ppm1=7.149 ppm2=2.264
assign ( resid 129 and name HE*) ( resid 128 and name HA) 4.1 0.8 0.8 volume=0.375 peak=94 ppm1=7.247 ppm2=5.036
assign ( resid 20 and name HD*) ( resid 18 and name HA) 4.2 0.8 0.8 volume=0.341 peak=233 ppm1=6.203 ppm2=4.973
assign ( resid 97 and name HD1) ( resid 97 and name HB3) 3.6 0.7 0.7 volume=0.890 peak=218 ppm1=7.458 ppm2=3.081
assign ( resid 73 and name HZ3) ( resid 73 and name HE3) 3.7 0.7 0.7 volume=0.761 peak=268 ppm1=6.942 ppm2=7.639
assign ( resid 72 and name HE*) ( resid 72 and name HA) 3.8 0.8 0.8 volume=0.579 peak=150 ppm1=6.484 ppm2=4.564
assign ( resid 73 and name HH2) ( resid 56 and name HD1*) 4.3 0.9 0.9 volume=0.278 peak=21 ppm1=7.683 ppm2=-0.081
assign ( resid 20 and name HD*) ( resid 25 and name HG1*) 3.2 0.6 0.6 volume=1.722 peak=117 ppm1=6.201 ppm2=0.680
assign ( resid 103 and name HD2) ( resid 66 and name HE*) 3.7 0.7 0.7 volume=0.740 peak=177 ppm1=7.166 ppm2=6.048
assign ( resid 2 and name HD2) ( resid 2 and name HB2) 3.0 0.6 0.6 volume=2.287 peak=100 ppm1=7.040 ppm2=3.044
assign ( resid 117 and name HD*) ( resid 117 and name HE*) 3.3 0.7 0.7 volume=1.473 peak=128 ppm1=6.960 ppm2=7.421
assign ( resid 84 and name HD2) ( resid 73 and name HE3) 3.6 0.7 0.7 volume=0.908 peak=254 ppm1=6.780 ppm2=7.637
assign ( resid 88 and name HZ3) ( resid 88 and name HE3) 3.1 0.6 0.6 volume=1.978 peak=219 ppm1=7.478 ppm2=8.030
assign ( resid 48 and name HD1) ( resid 48 and name HZ2) 4.7 0.9 0.9 volume=0.181 peak=112 ppm1=6.752 ppm2=7.498
assign ( resid 16 and name HE1) ( resid 16 and name HB2) 4.3 0.9 0.9 volume=0.277 peak=76 ppm1=8.379 ppm2=2.675
assign ( resid 97 and name HZ3) ( resid 97 and name HB2) 3.9 0.8 0.8 volume=0.532 peak=188 ppm1=7.989 ppm2=3.209
assign ( resid 73 and name HZ3) ( resid 56 and name HD2*) 4.5 0.9 0.9 volume=0.232 peak=75 ppm1=6.946 ppm2=-0.593
assign ( resid 18 and name HE3) ( resid 11 and name HB2) 4.0 0.8 0.8 volume=0.434 peak=229 ppm1=7.902 ppm2=3.126
assign ( resid 18 and name HE3) ( resid 9 and name HB3) 3.5 0.7 0.7 volume=0.953 peak=197 ppm1=7.904 ppm2=2.558
assign ( resid 18 and name HZ3) ( resid 18 and name HZ2) 3.6 0.7 0.7 volume=0.800 peak=178 ppm1=7.243 ppm2=7.464
assign ( resid 129 and name HE*) ( resid 7 and name HE*) 4.1 0.8 0.8 volume=0.381 peak=77 ppm1=7.248 ppm2=6.360
assign ( resid 73 and name HE3) ( resid 84 and name HA) 4.1 0.8 0.8 volume=0.392 peak=206 ppm1=7.633 ppm2=5.604
assign ( resid 117 and name HE*) ( resid 50 and name HB3) 4.2 0.8 0.8 volume=0.343 peak=34 ppm1=7.412 ppm2=1.364
assign ( resid 78 and name HE3) ( resid 78 and name HZ2) 4.3 0.9 0.9 volume=0.280 peak=161 ppm1=7.349 ppm2=7.109
assign ( resid 7 and name HE*) ( resid 7 and name HD*) 2.6 0.5 0.5 volume=6.510 peak=30 ppm1=6.324 ppm2=6.644
assign ( resid 129 and name HD*) ( resid 129 and name HB3) 2.7 0.5 0.5 volume=4.533 peak=61 ppm1=7.176 ppm2=2.972
assign ( resid 117 and name HD*) ( resid 74 and name HE*) 3.6 0.7 0.7 volume=0.892 peak=272 ppm1=6.956 ppm2=1.632
assign ( resid 18 and name HH2) ( resid 18 and name HE3) 3.9 0.8 0.8 volume=0.518 peak=44 ppm1=7.358 ppm2=7.909
assign ( resid 117 and name HE*) ( resid 52 and name HG3) 3.7 0.7 0.7 volume=0.716 peak=158 ppm1=7.413 ppm2=2.383
assign ( resid 45 and name HE*) ( resid 45 and name HB3) 4.6 0.9 0.9 volume=0.184 peak=74 ppm1=6.850 ppm2=2.456
assign ( resid 18 and name HE3) ( resid 18 and name HZ3) 3.3 0.7 0.7 volume=1.518 peak=230 ppm1=7.900 ppm2=7.246
assign ( resid 73 and name HE3) ( resid 84 and name HD2) 4.1 0.8 0.8 volume=0.409 peak=84 ppm1=7.637 ppm2=6.776
assign ( resid 46 and name HE*) ( resid 46 and name HD*) 2.9 0.6 0.6 volume=3.300 peak=55 ppm1=6.748 ppm2=6.932
assign ( resid 97 and name HD1) ( resid 97 and name HZ3) 4.7 0.9 0.9 volume=0.174 peak=133 ppm1=7.448 ppm2=7.972
assign ( resid 88 and name HZ3) ( resid 88 and name HB3) 3.7 0.7 0.7 volume=0.681 peak=60 ppm1=7.478 ppm2=3.326
assign ( resid 97 and name HH2) ( resid 98 and name HG2) 4.2 0.8 0.8 volume=0.352 peak=3 ppm1=7.205 ppm2=-0.189
assign ( resid 103 and name HE1) ( resid 60 and name HA) 3.8 0.8 0.8 volume=0.643 peak=110 ppm1=7.917 ppm2=4.941
assign ( resid 72 and name HE*) ( resid 114 and name HG2) 3.7 0.7 0.7 volume=0.677 peak=245 ppm1=6.487 ppm2=1.135
assign ( resid 103 and name HD2) ( resid 102 and name HB3) 4.2 0.8 0.8 volume=0.318 peak=123 ppm1=7.170 ppm2=3.786
assign ( resid 84 and name HD2) ( resid 56 and name HD1*) 3.7 0.7 0.7 volume=0.712 peak=140 ppm1=6.777 ppm2=-0.091
assign ( resid 117 and name HD*) ( resid 117 and name HZ) 3.6 0.7 0.7 volume=0.808 peak=262 ppm1=6.958 ppm2=7.166
assign ( resid 88 and name HD1) ( resid 88 and name HA) 3.4 0.7 0.7 volume=1.165 peak=22 ppm1=7.033 ppm2=4.640
assign ( resid 84 and name HD2) ( resid 56 and name HD2*) 4.2 0.8 0.8 volume=0.323 peak=35 ppm1=6.769 ppm2=-0.596
assign ( resid 129 and name HZ) ( resid 127 and name HB2) 4.2 0.8 0.8 volume=0.344 peak=195 ppm1=7.223 ppm2=1.862
assign ( resid 92 and name HD*) ( resid 92 and name HA) 3.2 0.6 0.6 volume=1.822 peak=56 ppm1=6.759 ppm2=4.437
assign ( resid 73 and name HH2) ( resid 73 and name HZ2) 3.2 0.6 0.6 volume=1.753 peak=205 ppm1=7.688 ppm2=7.337
assign ( resid 45 and name HD*) ( resid 45 and name HB3) 3.3 0.7 0.7 volume=1.310 peak=144 ppm1=7.158 ppm2=2.437
assign ( resid 78 and name HZ3) ( resid 78 and name HE3) 3.9 0.8 0.8 volume=0.485 peak=42 ppm1=6.732 ppm2=7.363
assign ( resid 73 and name HH2) ( resid 73 and name HZ3) 3.5 0.7 0.7 volume=0.986 peak=173 ppm1=7.692 ppm2=6.944
assign ( resid 66 and name HD*) ( resid 66 and name HE*) 2.5 0.5 0.5 volume=7.054 peak=208 ppm1=6.373 ppm2=6.044
assign ( resid 7 and name HE*) ( resid 7 and name HA) 3.9 0.8 0.8 volume=0.495 peak=41 ppm1=6.326 ppm2=5.061
assign ( resid 97 and name HZ2) ( resid 97 and name HE3) 4.0 0.8 0.8 volume=0.439 peak=135 ppm1=7.455 ppm2=6.862
assign ( resid 72 and name HD*) ( resid 72 and name HB3) 3.1 0.6 0.6 volume=1.950 peak=252 ppm1=6.958 ppm2=2.467
assign ( resid 19 and name HE*) ( resid 120 and name HG1*) 3.4 0.7 0.7 volume=1.220 peak=58 ppm1=6.505 ppm2=0.191
assign ( resid 19 and name HE*) ( resid 19 and name HB2) 3.2 0.6 0.6 volume=1.575 peak=259 ppm1=6.501 ppm2=2.710
assign ( resid 84 and name HD2) ( resid 70 and name HG2*) 3.8 0.8 0.8 volume=0.594 peak=28 ppm1=6.776 ppm2=0.617
assign ( resid 88 and name HZ2) ( resid 88 and name HZ3) 4.4 0.9 0.9 volume=0.241 peak=54 ppm1=7.727 ppm2=7.487
assign ( resid 73 and name HH2) ( resid 56 and name HD2*) 4.3 0.9 0.9 volume=0.298 peak=23 ppm1=7.686 ppm2=-0.596
assign ( resid 97 and name HH2) ( resid 36 and name HD3) 4.5 0.9 0.9 volume=0.218 peak=70 ppm1=7.197 ppm2=3.728
assign ( resid 19 and name HD*) ( resid 120 and name HG1*) 3.6 0.7 0.7 volume=0.911 peak=212 ppm1=6.863 ppm2=0.196
assign ( resid 18 and name HH2) ( resid 18 and name HZ3) 2.9 0.6 0.6 volume=3.222 peak=113 ppm1=7.359 ppm2=7.242
assign ( resid 73 and name HZ3) ( resid 84 and name HD2) 3.7 0.7 0.7 volume=0.705 peak=142 ppm1=6.937 ppm2=6.781
assign ( resid 117 and name HE*) ( resid 50 and name HA) 4.0 0.8 0.8 volume=0.431 peak=116 ppm1=7.416 ppm2=4.760
assign ( resid 18 and name HD1) ( resid 20 and name HE*) 3.7 0.7 0.7 volume=0.745 peak=79 ppm1=6.967 ppm2=6.385
assign ( resid 20 and name HD*) ( resid 20 and name HB3) 3.0 0.6 0.6 volume=2.715 peak=122 ppm1=6.201 ppm2=1.999
assign ( resid 129 and name HE*) ( resid 129 and name HA) 3.9 0.8 0.8 volume=0.509 peak=14 ppm1=7.243 ppm2=4.794
assign ( resid 18 and name HD1) ( resid 18 and name HE3) 4.4 0.9 0.9 volume=0.264 peak=8 ppm1=6.970 ppm2=7.906
assign ( resid 73 and name HE3) ( resid 56 and name HD2*) 4.3 0.9 0.9 volume=0.284 peak=192 ppm1=7.638 ppm2=-0.584
assign ( resid 97 and name HH2) ( resid 98 and name HE2) 3.4 0.7 0.7 volume=1.205 peak=97 ppm1=7.202 ppm2=2.733
assign ( resid 20 and name HD*) ( resid 20 and name HB2) 2.9 0.6 0.6 volume=2.929 peak=246 ppm1=6.202 ppm2=1.858
assign ( resid 97 and name HE3) ( resid 97 and name HH2) 3.8 0.8 0.8 volume=0.623 peak=274 ppm1=6.854 ppm2=7.206
assign ( resid 78 and name HH2) ( resid 78 and name HE3) 4.0 0.8 0.8 volume=0.440 peak=17 ppm1=6.947 ppm2=7.365
assign ( resid 73 and name HD1) ( resid 56 and name HD2*) 4.2 0.8 0.8 volume=0.328 peak=71 ppm1=7.151 ppm2=-0.596
assign ( resid 18 and name HE3) ( resid 18 and name HH2) 3.6 0.7 0.7 volume=0.876 peak=147 ppm1=7.905 ppm2=7.358
assign ( resid 45 and name HD*) ( resid 45 and name HB2) 4.0 0.8 0.8 volume=0.441 peak=170 ppm1=7.156 ppm2=4.108
assign ( resid 72 and name HE*) ( resid 72 and name HB2) 3.7 0.7 0.7 volume=0.715 peak=91 ppm1=6.484 ppm2=2.735
assign ( resid 18 and name HE3) ( resid 18 and name HB2) 3.5 0.7 0.7 volume=0.928 peak=242 ppm1=7.898 ppm2=2.660
assign ( resid 2 and name HE1) ( resid 2 and name HB2) 4.6 0.9 0.9 volume=0.188 peak=108 ppm1=8.084 ppm2=3.062
assign ( resid 20 and name HD*) ( resid 23 and name HA2) 3.9 0.8 0.8 volume=0.515 peak=95 ppm1=6.202 ppm2=3.757
assign ( resid 129 and name HE*) ( resid 127 and name HD1*) 3.1 0.6 0.6 volume=1.968 peak=215 ppm1=7.243 ppm2=0.818
assign ( resid 66 and name HE*) ( resid 103 and name HE1) 4.5 0.9 0.9 volume=0.227 peak=270 ppm1=6.038 ppm2=7.898
assign ( resid 73 and name HZ3) ( resid 73 and name HH2) 3.6 0.7 0.7 volume=0.887 peak=86 ppm1=6.942 ppm2=7.683
assign ( resid 45 and name HD*) ( resid 45 and name HE*) 3.2 0.6 0.6 volume=1.570 peak=69 ppm1=7.158 ppm2=6.862
assign ( resid 97 and name HH2) ( resid 36 and name HA) 3.7 0.7 0.7 volume=0.736 peak=183 ppm1=7.202 ppm2=4.382
assign ( resid 97 and name HH2) ( resid 98 and name HG3) 4.4 0.9 0.9 volume=0.254 peak=20 ppm1=7.199 ppm2=-0.332
assign ( resid 20 and name HD*) ( resid 23 and name HA3) 3.9 0.8 0.8 volume=0.539 peak=169 ppm1=6.200 ppm2=4.204
assign ( resid 88 and name HD1) ( resid 88 and name HE3) 4.1 0.8 0.8 volume=0.393 peak=243 ppm1=7.037 ppm2=8.025
assign ( resid 88 and name HE3) ( resid 70 and name HG1*) 3.7 0.7 0.7 volume=0.671 peak=1 ppm1=8.024 ppm2=1.017
assign ( resid 18 and name HZ3) ( resid 25 and name HG1*) 4.2 0.8 0.8 volume=0.359 peak=59 ppm1=7.238 ppm2=0.673
assign ( resid 20 and name HE*) ( resid 20 and name HD*) 2.5 0.5 0.5 volume=8.282 peak=138 ppm1=6.380 ppm2=6.209
assign ( resid 19 and name HD*) ( resid 19 and name HB3) 3.1 0.6 0.6 volume=2.059 peak=248 ppm1=6.861 ppm2=2.560
assign ( resid 72 and name HE*) ( resid 71 and name HB3) 3.3 0.7 0.7 volume=1.483 peak=185 ppm1=6.488 ppm2=2.399
assign ( resid 78 and name HE3) ( resid 78 and name HH2) 4.1 0.8 0.8 volume=0.368 peak=231 ppm1=7.351 ppm2=6.952
assign ( resid 18 and name HE3) ( resid 11 and name HB3) 3.9 0.8 0.8 volume=0.487 peak=127 ppm1=7.902 ppm2=2.840
assign ( resid 16 and name HD2) ( resid 16 and name HA) 3.8 0.8 0.8 volume=0.645 peak=25 ppm1=4.411 ppm2=4.972
assign ( resid 97 and name HZ3) ( resid 97 and name HE3) 3.7 0.7 0.7 volume=0.772 peak=176 ppm1=7.987 ppm2=6.863
assign ( resid 117 and name HE*) ( resid 117 and name HD*) 3.5 0.7 0.7 volume=1.067 peak=130 ppm1=7.413 ppm2=6.961
assign ( resid 84 and name HD2) ( resid 73 and name HZ3) 3.3 0.7 0.7 volume=1.514 peak=184 ppm1=6.780 ppm2=6.936
assign ( resid 129 and name HD*) ( resid 129 and name HB2) 2.7 0.5 0.5 volume=4.762 peak=222 ppm1=7.176 ppm2=3.168
assign ( resid 45 and name HD*) ( resid 45 and name HA) 3.8 0.8 0.8 volume=0.603 peak=121 ppm1=7.158 ppm2=5.044
assign ( resid 88 and name HH2) ( resid 70 and name HG1*) 3.4 0.7 0.7 volume=1.151 peak=64 ppm1=7.061 ppm2=1.028
assign ( resid 16 and name HE1) ( resid 28 and name HG3) 3.6 0.7 0.7 volume=0.815 peak=12 ppm1=8.379 ppm2=2.014
assign ( resid 97 and name HZ3) ( resid 97 and name HH2) 3.9 0.8 0.8 volume=0.528 peak=16 ppm1=7.992 ppm2=7.208
assign ( resid 88 and name HZ3) ( resid 56 and name HD1*) 5.1 1.0 1.0 volume=0.108 peak=66 ppm1=7.470 ppm2=-0.085
assign ( resid 129 and name HZ) ( resid 9 and name HG3) 3.8 0.8 0.8 volume=0.595 peak=67 ppm1=7.231 ppm2=2.555
assign ( resid 78 and name HE3) ( resid 78 and name HB3) 3.9 0.8 0.8 volume=0.500 peak=111 ppm1=7.366 ppm2=3.292
assign ( resid 78 and name HZ3) ( resid 78 and name HH2) 3.7 0.7 0.7 volume=0.689 peak=265 ppm1=6.730 ppm2=6.951
assign ( resid 66 and name HD*) ( resid 56 and name HD1*) 4.5 0.9 0.9 volume=0.212 peak=273 ppm1=6.386 ppm2=-0.096
assign ( resid 88 and name HZ3) ( resid 88 and name HZ2) 3.7 0.7 0.7 volume=0.691 peak=250 ppm1=7.479 ppm2=7.738
assign ( resid 18 and name HE3) ( resid 18 and name HA) 4.3 0.9 0.9 volume=0.284 peak=82 ppm1=7.906 ppm2=4.964
assign ( resid 18 and name HZ2) ( resid 18 and name HH2) 2.9 0.6 0.6 volume=3.188 peak=190 ppm1=7.462 ppm2=7.358
assign ( resid 66 and name HD*) ( resid 66 and name HB2) 2.9 0.6 0.6 volume=2.810 peak=182 ppm1=6.374 ppm2=2.590
assign ( resid 88 and name HH2) ( resid 88 and name HZ2) 3.1 0.6 0.6 volume=2.146 peak=36 ppm1=7.060 ppm2=7.746
assign ( resid 45 and name HE*) ( resid 41 and name HB3) 4.1 0.8 0.8 volume=0.412 peak=137 ppm1=6.852 ppm2=2.003
assign ( resid 20 and name HD*) ( resid 9 and name HB2) 3.8 0.8 0.8 volume=0.641 peak=278 ppm1=6.202 ppm2=2.436
assign ( resid 18 and name HE3) ( resid 18 and name HD1) 4.6 0.9 0.9 volume=0.205 peak=13 ppm1=7.911 ppm2=6.976
assign ( resid 97 and name HZ2) ( resid 97 and name HH2) 3.0 0.6 0.6 volume=2.776 peak=139 ppm1=7.459 ppm2=7.212
assign ( resid 73 and name HD1) ( resid 73 and name HA) 4.0 0.8 0.8 volume=0.422 peak=88 ppm1=7.144 ppm2=5.714
assign ( resid 72 and name HD*) ( resid 72 and name HB2) 3.6 0.7 0.7 volume=0.823 peak=119 ppm1=6.958 ppm2=2.731
assign ( resid 18 and name HE3) ( resid 20 and name HE*) 4.2 0.8 0.8 volume=0.329 peak=134 ppm1=7.906 ppm2=6.367
assign ( resid 16 and name HE1) ( resid 29 and name HA) 3.2 0.6 0.6 volume=1.587 peak=53 ppm1=8.379 ppm2=4.342
assign ( resid 7 and name HD*) ( resid 7 and name HE*) 2.5 0.5 0.5 volume=8.104 peak=92 ppm1=6.640 ppm2=6.333
assign ( resid 78 and name HE3) ( resid 78 and name HZ3) 3.6 0.7 0.7 volume=0.839 peak=279 ppm1=7.350 ppm2=6.739
assign ( resid 73 and name HZ2) ( resid 73 and name HH2) 3.5 0.7 0.7 volume=0.927 peak=244 ppm1=7.333 ppm2=7.689
assign ( resid 88 and name HH2) ( resid 88 and name HZ3) 3.5 0.7 0.7 volume=1.035 peak=90 ppm1=7.057 ppm2=7.484
assign ( resid 84 and name HD2) ( resid 70 and name HG1*) 4.4 0.9 0.9 volume=0.246 peak=141 ppm1=6.777 ppm2=0.985
assign ( resid 73 and name HZ3) ( resid 84 and name HA) 4.3 0.9 0.9 volume=0.275 peak=2 ppm1=6.938 ppm2=5.607
assign ( resid 45 and name HD*) ( resid 76 and name HD1*) 4.3 0.9 0.9 volume=0.310 peak=187 ppm1=7.157 ppm2=0.201
assign ( resid 129 and name HD*) ( resid 129 and name HE*) 1.9 0.2 0.4 volume=39.106 peak=65 ppm1=7.179 ppm2=7.240
assign ( resid 18 and name HE3) ( resid 25 and name HG1*) 3.9 0.8 0.8 volume=0.544 peak=165 ppm1=7.905 ppm2=0.679
assign ( resid 7 and name HD*) ( resid 6 and name HA) 3.7 0.7 0.7 volume=0.708 peak=162 ppm1=6.638 ppm2=5.211
assign ( resid 72 and name HD*) ( resid 72 and name HE*) 3.8 0.8 0.8 volume=0.588 peak=203 ppm1=6.958 ppm2=6.494
assign ( resid 18 and name HZ3) ( resid 20 and name HE*) 4.7 0.9 0.9 volume=0.169 peak=257 ppm1=7.238 ppm2=6.374
assign ( resid 18 and name HD1) ( resid 18 and name HB2) 3.2 0.6 0.6 volume=1.760 peak=149 ppm1=6.967 ppm2=2.665
assign ( resid 72 and name HE*) ( resid 71 and name HB2) 3.0 0.6 0.6 volume=2.386 peak=171 ppm1=6.489 ppm2=1.751
assign ( resid 18 and name HD1) ( resid 20 and name HD*) 4.2 0.8 0.8 volume=0.329 peak=72 ppm1=6.971 ppm2=6.211
assign ( resid 18 and name HZ3) ( resid 18 and name HB3) 4.3 0.9 0.9 volume=0.291 peak=132 ppm1=7.242 ppm2=3.289
assign ( resid 103 and name HD2) ( resid 103 and name HB2) 3.4 0.7 0.7 volume=1.187 peak=172 ppm1=7.167 ppm2=3.198
assign ( resid 16 and name HD2) ( resid 16 and name HB3) 3.4 0.7 0.7 volume=1.186 peak=46 ppm1=4.413 ppm2=2.500
assign ( resid 97 and name HH2) ( resid 98 and name HB2) 4.3 0.9 0.9 volume=0.272 peak=210 ppm1=7.215 ppm2=1.440
assign ( resid 48 and name HD1) ( resid 48 and name HZ3) 4.5 0.9 0.9 volume=0.207 peak=275 ppm1=6.755 ppm2=7.194
assign ( resid 117 and name HE*) ( resid 117 and name HB3) 4.1 0.8 0.8 volume=0.376 peak=80 ppm1=7.418 ppm2=2.533
assign ( resid 16 and name HE1) ( resid 28 and name HA) 4.0 0.8 0.8 volume=0.453 peak=264 ppm1=8.378 ppm2=4.990
assign ( resid 88 and name HZ3) ( resid 88 and name HH2) 3.4 0.7 0.7 volume=1.215 peak=99 ppm1=7.481 ppm2=7.064
assign ( resid 88 and name HZ2) ( resid 56 and name HD1*) 4.8 1.0 1.0 volume=0.151 peak=223 ppm1=7.743 ppm2=-0.088
assign ( resid 48 and name HD1) ( resid 48 and name HB3) 4.2 0.8 0.8 volume=0.347 peak=214 ppm1=6.743 ppm2=3.258
assign ( resid 16 and name HD2) ( resid 16 and name HE1) 4.2 0.8 0.8 volume=0.318 peak=232 ppm1=4.415 ppm2=8.385
assign ( resid 129 and name HE*) ( resid 9 and name HG2) 3.3 0.7 0.7 volume=1.501 peak=136 ppm1=7.245 ppm2=2.650
assign ( resid 18 and name HH2) ( resid 18 and name HZ2) 2.8 0.6 0.6 volume=4.155 peak=48 ppm1=7.356 ppm2=7.468
assign ( resid 88 and name HZ2) ( resid 70 and name HG1*) 4.4 0.9 0.9 volume=0.261 peak=249 ppm1=7.728 ppm2=1.018
assign ( resid 18 and name HD1) ( resid 25 and name HG2*) 2.8 0.6 0.6 volume=3.935 peak=239 ppm1=6.968 ppm2=0.808
assign ( resid 18 and name HZ2) ( resid 18 and name HE3) 4.7 0.9 0.9 volume=0.179 peak=146 ppm1=7.460 ppm2=7.904
assign ( resid 129 and name HE*) ( resid 9 and name HG3) 3.1 0.6 0.6 volume=2.037 peak=103 ppm1=7.245 ppm2=2.548
assign ( resid 66 and name HD*) ( resid 103 and name HE1) 4.1 0.8 0.8 volume=0.405 peak=179 ppm1=6.372 ppm2=7.917
assign ( resid 97 and name HH2) ( resid 36 and name HD2) 4.6 0.9 0.9 volume=0.198 peak=73 ppm1=7.199 ppm2=3.999
assign ( resid 129 and name HE*) ( resid 7 and name HD*) 4.3 0.9 0.9 volume=0.288 peak=125 ppm1=7.249 ppm2=6.646
assign ( resid 129 and name HE*) ( resid 9 and name HA) 4.0 0.8 0.8 volume=0.433 peak=167 ppm1=7.245 ppm2=5.784
assign ( resid 88 and name HE3) ( resid 88 and name HH2) 3.5 0.7 0.7 volume=0.951 peak=98 ppm1=8.021 ppm2=7.052
assign ( resid 73 and name HE3) ( resid 73 and name HZ3) 3.9 0.8 0.8 volume=0.537 peak=216 ppm1=7.630 ppm2=6.952
assign ( resid 78 and name HH2) ( resid 78 and name HZ2) 3.2 0.6 0.6 volume=1.875 peak=18 ppm1=6.953 ppm2=7.110
assign ( resid 97 and name HD1) ( resid 97 and name HB2) 3.9 0.8 0.8 volume=0.489 peak=261 ppm1=7.459 ppm2=3.206
assign ( resid 18 and name HH2) ( resid 25 and name HG1*) 4.5 0.9 0.9 volume=0.230 peak=213 ppm1=7.355 ppm2=0.674
assign ( resid 97 and name HH2) ( resid 97 and name HZ2) 2.7 0.5 0.5 volume=4.964 peak=276 ppm1=7.202 ppm2=7.463
assign ( resid 73 and name HH2) ( resid 84 and name HD2) 4.0 0.8 0.8 volume=0.448 peak=198 ppm1=7.685 ppm2=6.781
assign ( resid 103 and name HD2) ( resid 103 and name HE1) 4.9 1.0 1.0 volume=0.133 peak=101 ppm1=7.174 ppm2=7.921
assign ( resid 97 and name HZ2) ( resid 98 and name HG2) 4.5 0.9 0.9 volume=0.214 peak=209 ppm1=7.457 ppm2=-0.175
assign ( resid 78 and name HH2) ( resid 78 and name HZ3) 3.3 0.7 0.7 volume=1.486 peak=52 ppm1=6.954 ppm2=6.732
assign ( resid 18 and name HZ3) ( resid 25 and name HG2*) 4.2 0.8 0.8 volume=0.326 peak=220 ppm1=7.235 ppm2=0.808
assign ( resid 129 and name HE*) ( resid 127 and name HB2) 3.5 0.7 0.7 volume=1.078 peak=10 ppm1=7.243 ppm2=1.855
assign ( resid 7 and name HE*) ( resid 9 and name HA) 3.9 0.8 0.8 volume=0.555 peak=258 ppm1=6.321 ppm2=5.782
assign ( resid 97 and name HH2) ( resid 36 and name HG3) 3.7 0.7 0.7 volume=0.740 peak=24 ppm1=7.197 ppm2=2.019
assign ( resid 2 and name HD2) ( resid 2 and name HB3) 3.2 0.6 0.6 volume=1.731 peak=38 ppm1=7.040 ppm2=3.124
assign ( resid 103 and name HE1) ( resid 66 and name HE*) 4.1 0.8 0.8 volume=0.389 peak=11 ppm1=7.910 ppm2=6.043
assign ( resid 88 and name HE3) ( resid 88 and name HZ2) 4.2 0.8 0.8 volume=0.323 peak=43 ppm1=8.021 ppm2=7.726
assign ( resid 19 and name HD*) ( resid 19 and name HE*) 2.7 0.5 0.5 volume=4.949 peak=156 ppm1=6.862 ppm2=6.508
assign ( resid 88 and name HE3) ( resid 88 and name HA) 3.6 0.7 0.7 volume=0.809 peak=7 ppm1=8.023 ppm2=4.648
assign ( resid 2 and name HE1) ( resid 2 and name HD2) 4.4 0.9 0.9 volume=0.242 peak=175 ppm1=8.083 ppm2=7.056
assign ( resid 97 and name HZ3) ( resid 97 and name HZ2) 4.2 0.8 0.8 volume=0.349 peak=202 ppm1=7.987 ppm2=7.464
assign ( resid 7 and name HD*) ( resid 7 and name HA) 3.3 0.7 0.7 volume=1.337 peak=87 ppm1=6.637 ppm2=5.073
assign ( resid 16 and name HE1) ( resid 16 and name HD2) 3.5 0.7 0.7 volume=0.988 peak=81 ppm1=8.380 ppm2=4.413
assign ( resid 16 and name HE1) ( resid 30 and name HA) 4.4 0.9 0.9 volume=0.265 peak=241 ppm1=8.380 ppm2=5.352
assign ( resid 73 and name HD1) ( resid 73 and name HB2) 3.4 0.7 0.7 volume=1.185 peak=235 ppm1=7.149 ppm2=3.060
assign ( resid 97 and name HH2) ( resid 98 and name HD3) 4.0 0.8 0.8 volume=0.436 peak=104 ppm1=7.198 ppm2=1.259
assign ( resid 73 and name HZ3) ( resid 73 and name HZ2) 4.5 0.9 0.9 volume=0.229 peak=27 ppm1=6.946 ppm2=7.338
assign ( resid 73 and name HE3) ( resid 56 and name HD1*) 4.5 0.9 0.9 volume=0.224 peak=189 ppm1=7.632 ppm2=-0.070
assign ( resid 129 and name HE*) ( resid 129 and name HD*) 1.9 0.2 0.4 volume=35.085 peak=49 ppm1=7.243 ppm2=7.180
assign ( resid 72 and name HE*) ( resid 72 and name HB3) 3.4 0.7 0.7 volume=1.171 peak=143 ppm1=6.484 ppm2=2.463
assign ( resid 20 and name HD*) ( resid 18 and name HB3) 3.2 0.6 0.6 volume=1.606 peak=194 ppm1=6.202 ppm2=3.264
assign ( resid 88 and name HE3) ( resid 87 and name HB2) 4.5 0.9 0.9 volume=0.229 peak=153 ppm1=8.034 ppm2=2.963
assign ( resid 88 and name HZ2) ( resid 88 and name HH2) 3.7 0.7 0.7 volume=0.708 peak=85 ppm1=7.730 ppm2=7.069
assign ( resid 18 and name HE3) ( resid 25 and name HG2*) 4.1 0.8 0.8 volume=0.405 peak=253 ppm1=7.908 ppm2=0.808
assign ( resid 73 and name HZ2) ( resid 73 and name HZ3) 4.4 0.9 0.9 volume=0.257 peak=124 ppm1=7.328 ppm2=6.942
assign ( resid 88 and name HH2) ( resid 56 and name HD1*) 4.0 0.8 0.8 volume=0.435 peak=26 ppm1=7.055 ppm2=-0.085
assign ( resid 73 and name HZ3) ( resid 56 and name HD1*) 4.3 0.9 0.9 volume=0.292 peak=201 ppm1=6.946 ppm2=-0.075
assign ( resid 45 and name HD*) ( resid 42 and name HB*) 4.0 0.8 0.8 volume=0.429 peak=180 ppm1=7.167 ppm2=1.412
assign ( resid 84 and name HD2) ( resid 84 and name HB2) 3.5 0.7 0.7 volume=1.020 peak=271 ppm1=6.777 ppm2=3.994
assign ( resid 2 and name HD2) ( resid 2 and name HA) 3.5 0.7 0.7 volume=0.931 peak=31 ppm1=7.041 ppm2=4.619
assign ( resid 18 and name HZ3) ( resid 18 and name HD1) 4.5 0.9 0.9 volume=0.221 peak=236 ppm1=7.239 ppm2=6.977
assign ( resid 66 and name HE*) ( resid 66 and name HB2) 3.7 0.7 0.7 volume=0.690 peak=157 ppm1=6.042 ppm2=2.597
assign ( resid 18 and name HZ3) ( resid 18 and name HH2) 3.3 0.7 0.7 volume=1.536 peak=267 ppm1=7.239 ppm2=7.358
assign ( resid 129 and name HE*) ( resid 11 and name HB3) 3.5 0.7 0.7 volume=0.954 peak=105 ppm1=7.248 ppm2=2.849
assign ( resid 88 and name HD1) ( resid 88 and name HB2) 3.1 0.6 0.6 volume=1.907 peak=228 ppm1=7.030 ppm2=3.454
assign ( resid 72 and name HE*) ( resid 72 and name HD*) 3.7 0.7 0.7 volume=0.707 peak=191 ppm1=6.488 ppm2=6.938
assign ( resid 48 and name HD1) ( resid 76 and name HA) 3.8 0.8 0.8 volume=0.615 peak=63 ppm1=6.751 ppm2=5.723
assign ( resid 45 and name HE*) ( resid 45 and name HD*) 3.1 0.6 0.6 volume=1.994 peak=168 ppm1=6.851 ppm2=7.166
assign ( resid 18 and name HZ2) ( resid 18 and name HZ3) 3.6 0.7 0.7 volume=0.804 peak=238 ppm1=7.462 ppm2=7.237
assign ( resid 66 and name HE*) ( resid 66 and name HB3) 3.7 0.7 0.7 volume=0.707 peak=45 ppm1=6.036 ppm2=2.874
assign ( resid 103 and name HE1) ( resid 66 and name HD*) 4.1 0.8 0.8 volume=0.387 peak=247 ppm1=7.914 ppm2=6.382
assign ( resid 66 and name HE*) ( resid 56 and name HD1*) 4.0 0.8 0.8 volume=0.423 peak=240 ppm1=6.040 ppm2=-0.088
assign ( resid 88 and name HE3) ( resid 88 and name HZ3) 3.0 0.6 0.6 volume=2.704 peak=227 ppm1=8.022 ppm2=7.484
assign ( resid 66 and name HE*) ( resid 56 and name HD2*) 4.2 0.8 0.8 volume=0.337 peak=40 ppm1=6.038 ppm2=-0.592
assign ( resid 18 and name HD1) ( resid 25 and name HG1*) 2.8 0.6 0.6 volume=3.917 peak=237 ppm1=6.968 ppm2=0.680
assign ( resid 48 and name HD1) ( resid 48 and name HB2) 4.0 0.8 0.8 volume=0.426 peak=277 ppm1=6.749 ppm2=2.846
assign ( resid 19 and name HE*) ( resid 19 and name HD*) 2.7 0.5 0.5 volume=4.524 peak=106 ppm1=6.503 ppm2=6.867
assign ( resid 66 and name HE*) ( resid 66 and name HD*) 2.7 0.5 0.5 volume=5.267 peak=129 ppm1=6.040 ppm2=6.379
assign ( resid 88 and name HH2) ( resid 88 and name HE3) 4.1 0.8 0.8 volume=0.367 peak=148 ppm1=7.057 ppm2=8.036
assign ( resid 92 and name HD*) ( resid 92 and name HB3) 3.1 0.6 0.6 volume=1.939 peak=204 ppm1=6.759 ppm2=2.577
assign ( resid 88 and name HE3) ( resid 88 and name HB2) 3.4 0.7 0.7 volume=1.160 peak=102 ppm1=8.023 ppm2=3.455
assign ( resid 45 and name HE*) ( resid 41 and name HB2) 3.8 0.8 0.8 volume=0.589 peak=118 ppm1=6.848 ppm2=1.840
assign ( resid 97 and name HH2) ( resid 97 and name HE3) 3.1 0.6 0.6 volume=1.986 peak=224 ppm1=7.200 ppm2=6.862
assign ( resid 117 and name HE*) ( resid 117 and name HZ) 3.4 0.7 0.7 volume=1.196 peak=155 ppm1=7.411 ppm2=7.168
assign ( resid 84 and name HE1) ( resid 56 and name HD1*) 4.1 0.8 0.8 volume=0.368 peak=251 ppm1=7.760 ppm2=-0.080
assign ( resid 20 and name HD*) ( resid 25 and name HG2*) 3.6 0.7 0.7 volume=0.798 peak=29 ppm1=6.202 ppm2=0.818
assign ( resid 129 and name HZ) ( resid 9 and name HG2) 3.9 0.8 0.8 volume=0.529 peak=78 ppm1=7.228 ppm2=2.655
assign ( resid 18 and name HZ3) ( resid 18 and name HB2) 3.7 0.7 0.7 volume=0.725 peak=193 ppm1=7.242 ppm2=2.655
assign ( resid 18 and name HE3) ( resid 18 and name HB3) 4.0 0.8 0.8 volume=0.463 peak=151 ppm1=7.900 ppm2=3.282
assign ( resid 84 and name HD2) ( resid 105 and name HB3) 3.4 0.7 0.7 volume=1.196 peak=115 ppm1=6.777 ppm2=4.106
assign ( resid 84 and name HD2) ( resid 84 and name HB3) 3.7 0.7 0.7 volume=0.716 peak=62 ppm1=6.780 ppm2=3.732
assign ( resid 103 and name HD2) ( resid 102 and name HA) 4.4 0.9 0.9 volume=0.250 peak=255 ppm1=7.168 ppm2=4.621
assign ( resid 97 and name HH2) ( resid 97 and name HZ3) 3.8 0.8 0.8 volume=0.606 peak=211 ppm1=7.199 ppm2=7.998
assign ( resid 46 and name HD*) ( resid 46 and name HE*) 2.8 0.6 0.6 volume=3.871 peak=199 ppm1=6.925 ppm2=6.754
assign ( resid 45 and name HD*) ( resid 76 and name HB) 3.8 0.8 0.8 volume=0.643 peak=68 ppm1=7.158 ppm2=2.037
assign ( resid 97 and name HZ2) ( resid 98 and name HG3) 4.5 0.9 0.9 volume=0.218 peak=217 ppm1=7.452 ppm2=-0.324
assign ( resid 20 and name HD*) ( resid 7 and name HD*) 3.7 0.7 0.7 volume=0.726 peak=164 ppm1=6.200 ppm2=6.639
assign ( resid 7 and name HE*) ( resid 6 and name HA) 4.1 0.8 0.8 volume=0.363 peak=109 ppm1=6.326 ppm2=5.239
assign ( resid 117 and name HE*) ( resid 52 and name HG2) 3.7 0.7 0.7 volume=0.710 peak=269 ppm1=7.417 ppm2=2.065
assign ( resid 73 and name HE3) ( resid 84 and name HB2) 3.9 0.8 0.8 volume=0.555 peak=159 ppm1=7.631 ppm2=4.015
assign ( resid 7 and name HD*) ( resid 9 and name HA) 3.9 0.8 0.8 volume=0.563 peak=57 ppm1=6.635 ppm2=5.770
assign ( resid 129 and name HD*) ( resid 129 and name HA) 3.0 0.6 0.6 volume=2.610 peak=225 ppm1=7.177 ppm2=4.792
assign ( resid 84 and name HD2) ( resid 83 and name HA) 3.7 0.7 0.7 volume=0.707 peak=19 ppm1=6.772 ppm2=4.599
assign ( resid 88 and name HE3) ( resid 88 and name HB3) 3.3 0.7 0.7 volume=1.554 peak=207 ppm1=8.022 ppm2=3.335
assign ( resid 19 and name HE*) ( resid 19 and name HB3) 3.3 0.7 0.7 volume=1.490 peak=234 ppm1=6.504 ppm2=2.557
assign ( resid 18 and name HE3) ( resid 17 and name HA) 4.0 0.8 0.8 volume=0.463 peak=200 ppm1=7.900 ppm2=5.639
assign ( resid 18 and name HZ3) ( resid 18 and name HE3) 3.3 0.7 0.7 volume=1.335 peak=221 ppm1=7.241 ppm2=7.904
assign ( resid 78 and name HZ3) ( resid 78 and name HB2) 4.8 1.0 1.0 volume=0.151 peak=154 ppm1=6.733 ppm2=3.177
assign ( resid 92 and name HD*) ( resid 91 and name HA) 3.3 0.7 0.7 volume=1.412 peak=15 ppm1=6.754 ppm2=4.540
assign ( resid 18 and name HD1) ( resid 18 and name HB3) 3.3 0.7 0.7 volume=1.552 peak=47 ppm1=6.970 ppm2=3.275
assign ( resid 129 and name HZ) ( resid 127 and name HD1*) 3.9 0.8 0.8 volume=0.549 peak=89 ppm1=7.228 ppm2=0.824
assign ( resid 103 and name HD2) ( resid 103 and name HA) 3.2 0.6 0.6 volume=1.567 peak=181 ppm1=7.167 ppm2=4.967
assign ( resid 73 and name HD1) ( resid 73 and name HB3) 3.5 0.7 0.7 volume=1.044 peak=196 ppm1=7.148 ppm2=2.876
assign ( resid 84 and name HD2) ( resid 73 and name HH2) 3.6 0.7 0.7 volume=0.908 peak=166 ppm1=6.785 ppm2=7.686
assign ( resid 88 and name HZ3) ( resid 70 and name HG1*) 3.4 0.7 0.7 volume=1.248 peak=163 ppm1=7.478 ppm2=1.027
assign ( resid 97 and name HE3) ( resid 97 and name HZ3) 3.9 0.8 0.8 volume=0.488 peak=37 ppm1=6.857 ppm2=7.989
assign ( resid 20 and name HD*) ( resid 24 and name HA) 3.6 0.7 0.7 volume=0.795 peak=263 ppm1=6.199 ppm2=4.749
assign ( resid 129 and name HE*) ( resid 129 and name HB2) 3.4 0.7 0.7 volume=1.253 peak=32 ppm1=7.240 ppm2=3.172
assign ( resid 20 and name HD*) ( resid 18 and name HB2) 3.3 0.7 0.7 volume=1.320 peak=126 ppm1=6.202 ppm2=2.658
assign ( resid 92 and name HD*) ( resid 92 and name HB2) 3.3 0.7 0.7 volume=1.407 peak=51 ppm1=6.758 ppm2=2.313
assign ( resid 18 and name HZ3) ( resid 11 and name HB2) 3.7 0.7 0.7 volume=0.746 peak=160 ppm1=7.242 ppm2=3.120
assign ( resid 97 and name HE3) ( resid 97 and name HZ2) 4.3 0.9 0.9 volume=0.276 peak=107 ppm1=6.865 ppm2=7.456
assign ( resid 103 and name HD2) ( resid 66 and name HD*) 4.4 0.9 0.9 volume=0.259 peak=9 ppm1=7.165 ppm2=6.382
assign ( resid 20 and name HD*) ( resid 20 and name HA) 3.2 0.6 0.6 volume=1.856 peak=39 ppm1=6.202 ppm2=4.451
assign ( resid 88 and name HD1) ( resid 88 and name HB3) 3.1 0.6 0.6 volume=1.966 peak=152 ppm1=7.032 ppm2=3.325
assign ( resid 7 and name HD*) ( resid 7 and name HB3) 3.1 0.6 0.6 volume=2.060 peak=4 ppm1=6.640 ppm2=3.516
assign ( resid 73 and name HZ3) ( resid 73 and name HA) 4.2 0.8 0.8 volume=0.347 peak=114 ppm1=6.943 ppm2=5.706
assign ( resid 73 and name HE3) ( resid 73 and name HA) 3.9 0.8 0.8 volume=0.554 peak=145 ppm1=7.627 ppm2=5.705
assign ( resid 66 and name HD*) ( resid 66 and name HB3) 2.9 0.6 0.6 volume=2.946 peak=33 ppm1=6.374 ppm2=2.868
assign ( resid 78 and name HZ3) ( resid 78 and name HZ2) 4.3 0.9 0.9 volume=0.292 peak=226 ppm1=6.732 ppm2=7.110
assign ( resid 117 and name H) ( resid 116 and name HD1*) 3.4 0.7 0.7 volume=1.257 peak=762 ppm1=8.818 ppm2=0.615
assign ( resid 114 and name H) ( resid 113 and name HA) 3.4 0.7 0.7 volume=1.170 peak=421 ppm1=7.488 ppm2=4.080
assign ( resid 112 and name H) ( resid 112 and name HG1*) 3.1 0.6 0.6 volume=1.992 peak=256 ppm1=6.715 ppm2=0.660
assign ( resid 97 and name HE1) ( resid 97 and name H) 4.2 0.8 0.8 volume=0.346 peak=709 ppm1=10.655 ppm2=9.556
assign ( resid 30 and name H) ( resid 92 and name HB2) 4.3 0.9 0.9 volume=0.293 peak=21 ppm1=8.386 ppm2=2.297
assign ( resid 86 and name H) ( resid 85 and name HA) 3.4 0.7 0.7 volume=1.283 peak=327 ppm1=8.045 ppm2=5.145
assign ( resid 123 and name H) ( resid 122 and name HA) 3.5 0.7 0.7 volume=0.980 peak=341 ppm1=9.495 ppm2=3.685
assign ( resid 92 and name H) ( resid 92 and name HD*) 4.0 0.8 0.8 volume=0.439 peak=686 ppm1=8.618 ppm2=6.750
assign ( resid 117 and name H) ( resid 117 and name HA) 3.4 0.7 0.7 volume=1.195 peak=665 ppm1=8.827 ppm2=3.722
assign ( resid 115 and name H) ( resid 114 and name HA) 3.8 0.8 0.8 volume=0.593 peak=676 ppm1=6.755 ppm2=2.843
assign ( resid 105 and name H) ( resid 106 and name HG12) 3.9 0.8 0.8 volume=0.537 peak=571 ppm1=7.733 ppm2=0.813
assign ( resid 111 and name H) ( resid 111 and name HB2) 3.3 0.7 0.7 volume=1.434 peak=682 ppm1=8.917 ppm2=3.883
assign ( resid 12 and name H) ( resid 12 and name HA) 3.8 0.8 0.8 volume=0.575 peak=406 ppm1=9.541 ppm2=3.684
assign ( resid 19 and name H) ( resid 27 and name H) 3.7 0.7 0.7 volume=0.751 peak=345 ppm1=9.132 ppm2=7.639
assign ( resid 51 and name H) ( resid 73 and name HD1) 4.2 0.8 0.8 volume=0.353 peak=398 ppm1=9.555 ppm2=7.143
assign ( resid 89 and name HE21) ( resid 96 and name HB2) 3.7 0.7 0.7 volume=0.728 peak=419 ppm1=7.599 ppm2=1.110
assign ( resid 47 and name H) ( resid 46 and name HA) 3.8 0.8 0.8 volume=0.640 peak=418 ppm1=8.334 ppm2=5.157
assign ( resid 72 and name H) ( resid 70 and name HG2*) 3.7 0.7 0.7 volume=0.662 peak=434 ppm1=10.282 ppm2=0.614
assign ( resid 108 and name H) ( resid 108 and name HB) 3.3 0.7 0.7 volume=1.393 peak=239 ppm1=8.155 ppm2=3.403
assign ( resid 18 and name HE1) ( resid 28 and name HA) 3.9 0.8 0.8 volume=0.485 peak=721 ppm1=10.290 ppm2=4.973
assign ( resid 30 and name H) ( resid 19 and name HA) 4.1 0.8 0.8 volume=0.414 peak=710 ppm1=8.380 ppm2=5.366
assign ( resid 105 and name H) ( resid 82 and name H) 4.3 0.9 0.9 volume=0.285 peak=723 ppm1=7.729 ppm2=6.928
assign ( resid 28 and name H) ( resid 27 and name HA) 2.6 0.5 0.5 volume=6.670 peak=30 ppm1=8.425 ppm2=4.484
assign ( resid 67 and name H) ( resid 67 and name HB2) 3.0 0.6 0.6 volume=2.685 peak=624 ppm1=8.217 ppm2=1.695
assign ( resid 23 and name H) ( resid 5 and name HB3) 3.0 0.6 0.6 volume=2.345 peak=563 ppm1=8.833 ppm2=2.671
assign ( resid 23 and name H) ( resid 22 and name HB3) 3.9 0.8 0.8 volume=0.526 peak=12 ppm1=8.832 ppm2=2.882
assign ( resid 56 and name H) ( resid 56 and name HB2) 3.2 0.6 0.6 volume=1.770 peak=543 ppm1=8.260 ppm2=1.163
assign ( resid 30 and name H) ( resid 29 and name H) 4.2 0.8 0.8 volume=0.313 peak=85 ppm1=8.381 ppm2=8.024
assign ( resid 87 and name H) ( resid 87 and name HA) 3.4 0.7 0.7 volume=1.196 peak=113 ppm1=9.672 ppm2=4.181
assign ( resid 67 and name H) ( resid 66 and name HB3) 3.0 0.6 0.6 volume=2.470 peak=655 ppm1=8.222 ppm2=2.865
assign ( resid 28 and name H) ( resid 27 and name HD1*) 3.1 0.6 0.6 volume=1.991 peak=468 ppm1=8.424 ppm2=0.649
assign ( resid 127 and name H) ( resid 126 and name HG2*) 3.1 0.6 0.6 volume=2.007 peak=178 ppm1=9.582 ppm2=0.661
assign ( resid 114 and name H) ( resid 111 and name HA) 4.1 0.8 0.8 volume=0.395 peak=260 ppm1=7.486 ppm2=3.894
assign ( resid 66 and name H) ( resid 66 and name HB3) 3.2 0.6 0.6 volume=1.629 peak=387 ppm1=8.067 ppm2=2.862
assign ( resid 28 and name H) ( resid 28 and name HB3) 2.7 0.5 0.5 volume=4.281 peak=365 ppm1=8.423 ppm2=1.915
assign ( resid 55 and name H) ( resid 56 and name HD2*) 4.2 0.8 0.8 volume=0.358 peak=734 ppm1=8.450 ppm2=-0.609
assign ( resid 71 and name HD21) ( resid 71 and name HA) 3.8 0.8 0.8 volume=0.593 peak=277 ppm1=7.439 ppm2=4.316
assign ( resid 60 and name HD21) ( resid 60 and name H) 4.0 0.8 0.8 volume=0.428 peak=338 ppm1=7.536 ppm2=9.468
assign ( resid 88 and name H) ( resid 88 and name HE3) 3.4 0.7 0.7 volume=1.194 peak=462 ppm1=7.011 ppm2=8.016
assign ( resid 119 and name H) ( resid 119 and name HG2) 3.3 0.7 0.7 volume=1.490 peak=242 ppm1=7.351 ppm2=2.699
assign ( resid 19 and name H) ( resid 19 and name HB2) 3.2 0.6 0.6 volume=1.645 peak=31 ppm1=9.125 ppm2=2.687
assign ( resid 8 and name H) ( resid 124 and name HG2*) 3.5 0.7 0.7 volume=1.025 peak=601 ppm1=9.211 ppm2=1.576
assign ( resid 88 and name H) ( resid 88 and name HB2) 3.3 0.7 0.7 volume=1.431 peak=25 ppm1=6.994 ppm2=3.446
assign ( resid 6 and name H) ( resid 6 and name HB) 3.0 0.6 0.6 volume=2.406 peak=15 ppm1=7.718 ppm2=4.178
assign ( resid 104 and name H) ( resid 104 and name HA2) 3.6 0.7 0.7 volume=0.854 peak=43 ppm1=8.820 ppm2=4.380
assign ( resid 129 and name H) ( resid 10 and name HB) 3.7 0.7 0.7 volume=0.679 peak=660 ppm1=8.805 ppm2=2.137
assign ( resid 23 and name H) ( resid 23 and name HA3) 2.8 0.6 0.6 volume=3.839 peak=618 ppm1=8.835 ppm2=4.189
assign ( resid 12 and name H) ( resid 11 and name HA) 3.3 0.7 0.7 volume=1.439 peak=83 ppm1=9.546 ppm2=4.275
assign ( resid 18 and name H) ( resid 17 and name HB2) 3.6 0.7 0.7 volume=0.896 peak=407 ppm1=9.643 ppm2=1.472
assign ( resid 34 and name H) ( resid 40 and name HB) 3.7 0.7 0.7 volume=0.732 peak=390 ppm1=8.136 ppm2=3.690
assign ( resid 15 and name H) ( resid 14 and name HA) 3.4 0.7 0.7 volume=1.090 peak=680 ppm1=8.040 ppm2=4.792
assign ( resid 117 and name H) ( resid 116 and name HB3) 4.1 0.8 0.8 volume=0.406 peak=54 ppm1=8.820 ppm2=1.212
assign ( resid 13 and name H) ( resid 12 and name HD2*) 3.6 0.7 0.7 volume=0.828 peak=684 ppm1=9.091 ppm2=0.407
assign ( resid 60 and name H) ( resid 60 and name HA) 3.2 0.6 0.6 volume=1.820 peak=545 ppm1=9.471 ppm2=4.949
assign ( resid 24 and name H) ( resid 21 and name H) 3.2 0.6 0.6 volume=1.853 peak=78 ppm1=7.597 ppm2=8.459
assign ( resid 20 and name H) ( resid 20 and name HB2) 3.9 0.8 0.8 volume=0.516 peak=626 ppm1=8.961 ppm2=1.858
assign ( resid 89 and name H) ( resid 87 and name H) 4.4 0.9 0.9 volume=0.243 peak=753 ppm1=7.145 ppm2=9.684
assign ( resid 42 and name H) ( resid 41 and name HB3) 3.2 0.6 0.6 volume=1.600 peak=538 ppm1=7.580 ppm2=1.992
assign ( resid 115 and name H) ( resid 115 and name HG2) 3.2 0.6 0.6 volume=1.743 peak=350 ppm1=6.759 ppm2=2.181
assign ( resid 111 and name H) ( resid 112 and name H) 4.3 0.9 0.9 volume=0.307 peak=243 ppm1=8.926 ppm2=6.712
assign ( resid 117 and name H) ( resid 116 and name HG) 3.5 0.7 0.7 volume=0.988 peak=454 ppm1=8.825 ppm2=1.159
assign ( resid 86 and name H) ( resid 85 and name HB2) 3.6 0.7 0.7 volume=0.876 peak=633 ppm1=8.046 ppm2=2.669
assign ( resid 87 and name H) ( resid 89 and name HE21) 4.6 0.9 0.9 volume=0.198 peak=540 ppm1=9.671 ppm2=7.595
assign ( resid 63 and name H) ( resid 63 and name HA2) 2.7 0.5 0.5 volume=4.547 peak=359 ppm1=8.156 ppm2=3.597
assign ( resid 111 and name H) ( resid 112 and name HB) 4.2 0.8 0.8 volume=0.355 peak=504 ppm1=8.913 ppm2=1.746
assign ( resid 49 and name H) ( resid 49 and name HB3) 3.6 0.7 0.7 volume=0.796 peak=355 ppm1=7.398 ppm2=1.982
assign ( resid 50 and name H) ( resid 47 and name HG2*) 4.0 0.8 0.8 volume=0.479 peak=156 ppm1=7.677 ppm2=0.743
assign ( resid 83 and name H) ( resid 83 and name HD1*) 3.0 0.6 0.6 volume=2.608 peak=259 ppm1=8.223 ppm2=0.652
assign ( resid 45 and name H) ( resid 45 and name HA) 3.8 0.8 0.8 volume=0.615 peak=147 ppm1=9.244 ppm2=5.036
assign ( resid 29 and name H) ( resid 28 and name HB2) 3.1 0.6 0.6 volume=1.898 peak=203 ppm1=8.036 ppm2=1.484
assign ( resid 15 and name HE22) ( resid 15 and name HE21) 2.9 0.6 0.6 volume=3.013 peak=643 ppm1=6.748 ppm2=7.361
assign ( resid 107 and name H) ( resid 106 and name HG2*) 3.2 0.6 0.6 volume=1.675 peak=552 ppm1=8.906 ppm2=0.618
assign ( resid 54 and name H) ( resid 70 and name HA) 3.6 0.7 0.7 volume=0.829 peak=3 ppm1=7.080 ppm2=4.765
assign ( resid 38 and name H) ( resid 37 and name HA) 3.1 0.6 0.6 volume=2.077 peak=335 ppm1=7.699 ppm2=4.286
assign ( resid 121 and name H) ( resid 120 and name HG1*) 3.4 0.7 0.7 volume=1.182 peak=81 ppm1=8.073 ppm2=0.196
assign ( resid 116 and name H) ( resid 116 and name HB2) 3.0 0.6 0.6 volume=2.608 peak=229 ppm1=8.637 ppm2=1.765
assign ( resid 64 and name H) ( resid 63 and name HA2) 3.4 0.7 0.7 volume=1.191 peak=248 ppm1=8.116 ppm2=3.609
assign ( resid 72 and name H) ( resid 71 and name HA) 3.8 0.8 0.8 volume=0.574 peak=754 ppm1=10.275 ppm2=4.333
assign ( resid 23 and name H) ( resid 22 and name H) 3.3 0.7 0.7 volume=1.433 peak=446 ppm1=8.835 ppm2=8.656
assign ( resid 55 and name H) ( resid 55 and name HG2*) 3.6 0.7 0.7 volume=0.888 peak=190 ppm1=8.442 ppm2=0.822
assign ( resid 73 and name H) ( resid 73 and name HB2) 3.7 0.7 0.7 volume=0.708 peak=501 ppm1=9.041 ppm2=3.050
assign ( resid 87 and name H) ( resid 86 and name HA) 3.2 0.6 0.6 volume=1.778 peak=140 ppm1=9.671 ppm2=3.606
assign ( resid 23 and name H) ( resid 24 and name H) 3.4 0.7 0.7 volume=1.298 peak=408 ppm1=8.830 ppm2=7.594
assign ( resid 64 and name H) ( resid 65 and name HD2) 4.0 0.8 0.8 volume=0.462 peak=420 ppm1=8.123 ppm2=3.690
assign ( resid 52 and name H) ( resid 51 and name HA) 2.7 0.5 0.5 volume=4.273 peak=165 ppm1=8.693 ppm2=4.966
assign ( resid 9 and name H) ( resid 8 and name HB) 3.6 0.7 0.7 volume=0.823 peak=105 ppm1=9.756 ppm2=1.880
assign ( resid 85 and name H) ( resid 75 and name HD3) 4.7 0.9 0.9 volume=0.171 peak=374 ppm1=10.290 ppm2=1.425
assign ( resid 12 and name H) ( resid 13 and name H) 3.8 0.8 0.8 volume=0.646 peak=711 ppm1=9.540 ppm2=9.100
assign ( resid 122 and name H) ( resid 122 and name HG2) 3.4 0.7 0.7 volume=1.203 peak=720 ppm1=9.197 ppm2=1.390
assign ( resid 107 and name H) ( resid 107 and name HB2) 3.5 0.7 0.7 volume=1.013 peak=473 ppm1=8.905 ppm2=3.402
assign ( resid 82 and name H) ( resid 81 and name HG1*) 3.3 0.7 0.7 volume=1.324 peak=275 ppm1=6.936 ppm2=0.769
assign ( resid 107 and name H) ( resid 106 and name H) 4.6 0.9 0.9 volume=0.183 peak=34 ppm1=8.902 ppm2=8.571
assign ( resid 23 and name H) ( resid 23 and name HA2) 3.0 0.6 0.6 volume=2.367 peak=224 ppm1=8.833 ppm2=3.756
assign ( resid 88 and name H) ( resid 87 and name H) 3.6 0.7 0.7 volume=0.785 peak=713 ppm1=7.000 ppm2=9.664
assign ( resid 121 and name H) ( resid 120 and name HA) 3.0 0.6 0.6 volume=2.699 peak=594 ppm1=8.079 ppm2=3.692
assign ( resid 51 and name H) ( resid 50 and name HA) 3.2 0.6 0.6 volume=1.733 peak=393 ppm1=9.564 ppm2=4.759
assign ( resid 67 and name H) ( resid 66 and name HB2) 3.0 0.6 0.6 volume=2.418 peak=197 ppm1=8.221 ppm2=2.583
assign ( resid 85 and name H) ( resid 84 and name HB3) 3.6 0.7 0.7 volume=0.798 peak=708 ppm1=10.295 ppm2=3.730
assign ( resid 26 and name H) ( resid 25 and name H) 4.1 0.8 0.8 volume=0.402 peak=467 ppm1=9.283 ppm2=8.673
assign ( resid 107 and name H) ( resid 31 and name HB) 4.2 0.8 0.8 volume=0.345 peak=129 ppm1=8.903 ppm2=1.849
assign ( resid 24 and name H) ( resid 23 and name HA2) 3.2 0.6 0.6 volume=1.753 peak=280 ppm1=7.593 ppm2=3.754
assign ( resid 56 and name H) ( resid 56 and name HA) 4.2 0.8 0.8 volume=0.348 peak=747 ppm1=8.257 ppm2=4.038
assign ( resid 24 and name H) ( resid 23 and name H) 3.1 0.6 0.6 volume=2.115 peak=505 ppm1=7.598 ppm2=8.830
assign ( resid 129 and name H) ( resid 128 and name HA) 3.3 0.7 0.7 volume=1.560 peak=612 ppm1=8.811 ppm2=5.029
assign ( resid 14 and name H) ( resid 15 and name H) 3.2 0.6 0.6 volume=1.755 peak=646 ppm1=7.708 ppm2=8.041
assign ( resid 100 and name H) ( resid 101 and name H) 3.4 0.7 0.7 volume=1.287 peak=669 ppm1=8.886 ppm2=7.195
assign ( resid 105 and name H) ( resid 105 and name HB2) 4.3 0.9 0.9 volume=0.289 peak=131 ppm1=7.729 ppm2=3.379
assign ( resid 29 and name H) ( resid 29 and name HG2*) 3.0 0.6 0.6 volume=2.757 peak=530 ppm1=8.034 ppm2=0.562
assign ( resid 94 and name H) ( resid 30 and name HB2) 3.3 0.7 0.7 volume=1.323 peak=768 ppm1=8.642 ppm2=2.557
assign ( resid 100 and name H) ( resid 99 and name HA) 3.7 0.7 0.7 volume=0.751 peak=127 ppm1=8.895 ppm2=4.479
assign ( resid 91 and name H) ( resid 92 and name H) 4.1 0.8 0.8 volume=0.406 peak=528 ppm1=7.005 ppm2=8.620
assign ( resid 123 and name H) ( resid 123 and name HA2) 3.8 0.8 0.8 volume=0.617 peak=426 ppm1=9.495 ppm2=4.280
assign ( resid 4 and name H) ( resid 3 and name HA) 2.5 0.5 0.5 volume=7.403 peak=443 ppm1=8.352 ppm2=4.332
assign ( resid 27 and name H) ( resid 27 and name HD2*) 2.9 0.6 0.6 volume=3.363 peak=50 ppm1=7.638 ppm2=0.804
assign ( resid 6 and name H) ( resid 6 and name HA) 3.7 0.7 0.7 volume=0.716 peak=289 ppm1=7.730 ppm2=5.207
assign ( resid 44 and name H) ( resid 44 and name HB) 3.2 0.6 0.6 volume=1.816 peak=77 ppm1=7.483 ppm2=1.779
assign ( resid 54 and name H) ( resid 54 and name HB*) 2.7 0.5 0.5 volume=4.381 peak=479 ppm1=7.093 ppm2=0.946
assign ( resid 27 and name H) ( resid 27 and name HD1*) 3.1 0.6 0.6 volume=2.113 peak=358 ppm1=7.643 ppm2=0.661
assign ( resid 20 and name H) ( resid 19 and name HB2) 3.8 0.8 0.8 volume=0.574 peak=378 ppm1=8.958 ppm2=2.710
assign ( resid 83 and name H) ( resid 83 and name HB) 3.4 0.7 0.7 volume=1.095 peak=716 ppm1=8.223 ppm2=1.474
assign ( resid 24 and name H) ( resid 20 and name HA) 3.3 0.7 0.7 volume=1.346 peak=141 ppm1=7.601 ppm2=4.443
assign ( resid 85 and name H) ( resid 84 and name HB2) 3.6 0.7 0.7 volume=0.824 peak=132 ppm1=10.289 ppm2=4.000
assign ( resid 67 and name H) ( resid 68 and name H) 4.0 0.8 0.8 volume=0.454 peak=119 ppm1=8.228 ppm2=9.306
assign ( resid 25 and name H) ( resid 25 and name HA) 3.4 0.7 0.7 volume=1.102 peak=481 ppm1=8.696 ppm2=3.248
assign ( resid 21 and name H) ( resid 26 and name H) 3.7 0.7 0.7 volume=0.757 peak=102 ppm1=8.465 ppm2=9.293
assign ( resid 26 and name H) ( resid 27 and name H) 3.3 0.7 0.7 volume=1.371 peak=82 ppm1=9.290 ppm2=7.638
assign ( resid 129 and name H) ( resid 128 and name HB) 4.7 0.9 0.9 volume=0.168 peak=472 ppm1=8.818 ppm2=2.438
assign ( resid 114 and name H) ( resid 114 and name HA) 3.3 0.7 0.7 volume=1.463 peak=279 ppm1=7.494 ppm2=2.841
assign ( resid 94 and name H) ( resid 96 and name HD1*) 3.9 0.8 0.8 volume=0.543 peak=566 ppm1=8.642 ppm2=0.616
assign ( resid 71 and name H) ( resid 71 and name HD22) 4.2 0.8 0.8 volume=0.340 peak=748 ppm1=10.479 ppm2=6.909
assign ( resid 28 and name H) ( resid 28 and name HA) 3.4 0.7 0.7 volume=1.255 peak=45 ppm1=8.427 ppm2=4.977
assign ( resid 44 and name H) ( resid 43 and name H) 3.7 0.7 0.7 volume=0.681 peak=513 ppm1=7.482 ppm2=9.164
assign ( resid 56 and name H) ( resid 69 and name HA) 3.6 0.7 0.7 volume=0.859 peak=10 ppm1=8.261 ppm2=4.921
assign ( resid 95 and name H) ( resid 95 and name HA) 3.6 0.7 0.7 volume=0.915 peak=731 ppm1=8.527 ppm2=5.158
assign ( resid 91 and name H) ( resid 91 and name HA) 3.2 0.6 0.6 volume=1.787 peak=94 ppm1=7.010 ppm2=4.517
assign ( resid 100 and name H) ( resid 100 and name HA) 3.4 0.7 0.7 volume=1.190 peak=661 ppm1=8.892 ppm2=4.779
assign ( resid 32 and name H) ( resid 32 and name HG2*) 3.6 0.7 0.7 volume=0.845 peak=621 ppm1=8.263 ppm2=1.010
assign ( resid 87 and name H) ( resid 89 and name HB2) 4.6 0.9 0.9 volume=0.194 peak=340 ppm1=9.672 ppm2=1.603
assign ( resid 49 and name HD22) ( resid 50 and name HA) 4.3 0.9 0.9 volume=0.304 peak=414 ppm1=7.245 ppm2=4.762
assign ( resid 26 and name H) ( resid 26 and name HA) 3.1 0.6 0.6 volume=1.961 peak=86 ppm1=9.282 ppm2=4.451
assign ( resid 42 and name H) ( resid 43 and name H) 3.9 0.8 0.8 volume=0.503 peak=549 ppm1=7.578 ppm2=9.158
assign ( resid 127 and name H) ( resid 8 and name H) 4.6 0.9 0.9 volume=0.197 peak=557 ppm1=9.580 ppm2=9.217
assign ( resid 22 and name H) ( resid 22 and name HB2) 3.6 0.7 0.7 volume=0.899 peak=134 ppm1=8.650 ppm2=2.671
assign ( resid 30 and name H) ( resid 29 and name HG2*) 3.2 0.6 0.6 volume=1.677 peak=357 ppm1=8.386 ppm2=0.564
assign ( resid 14 and name H) ( resid 13 and name H) 3.3 0.7 0.7 volume=1.453 peak=494 ppm1=7.705 ppm2=9.094
assign ( resid 16 and name H) ( resid 11 and name H) 3.7 0.7 0.7 volume=0.673 peak=216 ppm1=8.066 ppm2=8.627
assign ( resid 88 and name H) ( resid 88 and name HB3) 3.4 0.7 0.7 volume=1.267 peak=506 ppm1=7.004 ppm2=3.320
assign ( resid 37 and name H) ( resid 39 and name HD2) 4.7 0.9 0.9 volume=0.171 peak=333 ppm1=7.280 ppm2=3.403
assign ( resid 30 and name H) ( resid 29 and name HB) 3.4 0.7 0.7 volume=1.124 peak=636 ppm1=8.387 ppm2=3.959
assign ( resid 126 and name H) ( resid 125 and name HB2) 3.6 0.7 0.7 volume=0.868 peak=299 ppm1=8.475 ppm2=2.312
assign ( resid 57 and name H) ( resid 57 and name HA) 3.6 0.7 0.7 volume=0.825 peak=331 ppm1=7.985 ppm2=4.632
assign ( resid 104 and name H) ( resid 35 and name H) 4.7 0.9 0.9 volume=0.168 peak=729 ppm1=8.833 ppm2=8.291
assign ( resid 14 and name HD22) ( resid 14 and name HA) 3.9 0.8 0.8 volume=0.495 peak=736 ppm1=8.991 ppm2=4.799
assign ( resid 59 and name H) ( resid 58 and name HA3) 3.0 0.6 0.6 volume=2.466 peak=167 ppm1=8.671 ppm2=3.804
assign ( resid 50 and name H) ( resid 51 and name H) 4.2 0.8 0.8 volume=0.322 peak=123 ppm1=7.675 ppm2=9.561
assign ( resid 9 and name H) ( resid 9 and name HA) 4.5 0.9 0.9 volume=0.221 peak=493 ppm1=9.752 ppm2=5.747
assign ( resid 86 and name H) ( resid 85 and name HB3) 3.4 0.7 0.7 volume=1.242 peak=356 ppm1=8.036 ppm2=2.349
assign ( resid 56 and name H) ( resid 55 and name HA) 3.2 0.6 0.6 volume=1.719 peak=255 ppm1=8.264 ppm2=4.318
assign ( resid 40 and name H) ( resid 39 and name HA) 3.2 0.6 0.6 volume=1.784 peak=107 ppm1=8.626 ppm2=4.168
assign ( resid 128 and name H) ( resid 127 and name HA) 3.2 0.6 0.6 volume=1.867 peak=48 ppm1=9.069 ppm2=5.011
assign ( resid 112 and name H) ( resid 112 and name HB) 3.1 0.6 0.6 volume=1.926 peak=487 ppm1=6.710 ppm2=1.736
assign ( resid 14 and name H) ( resid 14 and name HB2) 3.2 0.6 0.6 volume=1.870 peak=144 ppm1=7.708 ppm2=2.857
assign ( resid 97 and name HE1) ( resid 98 and name HG3) 4.9 1.0 1.0 volume=0.131 peak=238 ppm1=10.653 ppm2=-0.333
assign ( resid 117 and name H) ( resid 116 and name HB2) 3.4 0.7 0.7 volume=1.109 peak=379 ppm1=8.821 ppm2=1.762
assign ( resid 50 and name H) ( resid 47 and name HG1*) 3.3 0.7 0.7 volume=1.364 peak=548 ppm1=7.678 ppm2=0.692
assign ( resid 58 and name H) ( resid 57 and name HA) 3.2 0.6 0.6 volume=1.826 peak=554 ppm1=6.486 ppm2=4.639
assign ( resid 20 and name H) ( resid 20 and name HB3) 3.7 0.7 0.7 volume=0.757 peak=683 ppm1=8.961 ppm2=2.009
assign ( resid 9 and name H) ( resid 25 and name HA) 4.9 1.0 1.0 volume=0.137 peak=651 ppm1=9.756 ppm2=3.245
assign ( resid 71 and name HD22) ( resid 71 and name HA) 4.4 0.9 0.9 volume=0.261 peak=72 ppm1=6.915 ppm2=4.312
assign ( resid 102 and name H) ( resid 97 and name HA) 3.3 0.7 0.7 volume=1.448 peak=640 ppm1=8.523 ppm2=3.747
assign ( resid 96 and name H) ( resid 95 and name H) 3.4 0.7 0.7 volume=1.237 peak=532 ppm1=7.939 ppm2=8.524
assign ( resid 23 and name H) ( resid 5 and name H) 4.3 0.9 0.9 volume=0.306 peak=385 ppm1=8.832 ppm2=8.433
assign ( resid 113 and name H) ( resid 113 and name HB2) 3.4 0.7 0.7 volume=1.241 peak=712 ppm1=8.561 ppm2=2.168
assign ( resid 91 and name H) ( resid 89 and name HA) 3.7 0.7 0.7 volume=0.775 peak=117 ppm1=7.010 ppm2=5.161
assign ( resid 21 and name H) ( resid 24 and name H) 3.2 0.6 0.6 volume=1.631 peak=435 ppm1=8.459 ppm2=7.600
assign ( resid 62 and name H) ( resid 60 and name HB3) 2.8 0.6 0.6 volume=3.794 peak=452 ppm1=7.734 ppm2=3.067
assign ( resid 114 and name H) ( resid 112 and name HG1*) 3.7 0.7 0.7 volume=0.729 peak=319 ppm1=7.496 ppm2=0.667
assign ( resid 95 and name H) ( resid 96 and name H) 3.3 0.7 0.7 volume=1.427 peak=377 ppm1=8.522 ppm2=7.939
assign ( resid 117 and name H) ( resid 120 and name HB) 4.6 0.9 0.9 volume=0.197 peak=510 ppm1=8.820 ppm2=1.433
assign ( resid 95 and name H) ( resid 96 and name HD2*) 3.6 0.7 0.7 volume=0.874 peak=404 ppm1=8.536 ppm2=0.720
assign ( resid 105 and name H) ( resid 104 and name H) 4.2 0.8 0.8 volume=0.347 peak=396 ppm1=7.738 ppm2=8.820
assign ( resid 18 and name H) ( resid 18 and name HB3) 3.8 0.8 0.8 volume=0.600 peak=687 ppm1=9.644 ppm2=3.277
assign ( resid 3 and name H) ( resid 3 and name HB3) 3.6 0.7 0.7 volume=0.838 peak=511 ppm1=8.398 ppm2=1.729
assign ( resid 101 and name H) ( resid 101 and name HA2) 3.2 0.6 0.6 volume=1.714 peak=681 ppm1=7.196 ppm2=4.246
assign ( resid 114 and name H) ( resid 114 and name HG3) 3.3 0.7 0.7 volume=1.454 peak=27 ppm1=7.489 ppm2=1.349
assign ( resid 72 and name H) ( resid 70 and name HG1*) 3.8 0.8 0.8 volume=0.599 peak=150 ppm1=10.272 ppm2=1.005
assign ( resid 57 and name H) ( resid 56 and name HD2*) 3.4 0.7 0.7 volume=1.290 peak=343 ppm1=7.979 ppm2=-0.609
assign ( resid 92 and name H) ( resid 96 and name HD2*) 4.3 0.9 0.9 volume=0.307 peak=37 ppm1=8.617 ppm2=0.709
assign ( resid 85 and name H) ( resid 113 and name HE*) 3.4 0.7 0.7 volume=1.241 peak=526 ppm1=10.286 ppm2=2.087
assign ( resid 91 and name H) ( resid 90 and name HD2) 3.3 0.7 0.7 volume=1.522 peak=423 ppm1=7.010 ppm2=4.070
assign ( resid 111 and name H) ( resid 110 and name HB2) 4.7 0.9 0.9 volume=0.165 peak=706 ppm1=8.908 ppm2=2.654
assign ( resid 20 and name H) ( resid 19 and name HB3) 3.7 0.7 0.7 volume=0.704 peak=672 ppm1=8.948 ppm2=2.563
assign ( resid 96 and name H) ( resid 96 and name HD1*) 3.7 0.7 0.7 volume=0.724 peak=451 ppm1=7.943 ppm2=0.617
assign ( resid 13 and name H) ( resid 13 and name HB3) 2.9 0.6 0.6 volume=3.193 peak=749 ppm1=9.094 ppm2=2.070
assign ( resid 31 and name H) ( resid 31 and name HG2*) 3.8 0.8 0.8 volume=0.624 peak=70 ppm1=7.625 ppm2=0.612
assign ( resid 70 and name H) ( resid 69 and name HB3) 3.3 0.7 0.7 volume=1.415 peak=92 ppm1=8.645 ppm2=1.891
assign ( resid 34 and name H) ( resid 82 and name HA3) 4.3 0.9 0.9 volume=0.272 peak=725 ppm1=8.128 ppm2=4.188
assign ( resid 115 and name H) ( resid 117 and name H) 4.3 0.9 0.9 volume=0.297 peak=583 ppm1=6.758 ppm2=8.824
assign ( resid 122 and name H) ( resid 122 and name HG3) 3.6 0.7 0.7 volume=0.874 peak=489 ppm1=9.209 ppm2=1.050
assign ( resid 6 and name H) ( resid 6 and name HG2*) 3.3 0.7 0.7 volume=1.370 peak=380 ppm1=7.712 ppm2=1.567
assign ( resid 62 and name H) ( resid 63 and name H) 2.9 0.6 0.6 volume=3.091 peak=490 ppm1=7.734 ppm2=8.143
assign ( resid 62 and name H) ( resid 64 and name HG2*) 4.0 0.8 0.8 volume=0.464 peak=515 ppm1=7.731 ppm2=1.253
assign ( resid 70 and name H) ( resid 69 and name HB2) 3.3 0.7 0.7 volume=1.377 peak=173 ppm1=8.645 ppm2=2.218
assign ( resid 63 and name H) ( resid 59 and name HA) 3.7 0.7 0.7 volume=0.685 peak=634 ppm1=8.159 ppm2=4.765
assign ( resid 96 and name H) ( resid 96 and name HA) 3.2 0.6 0.6 volume=1.664 peak=697 ppm1=7.946 ppm2=3.876
assign ( resid 4 and name H) ( resid 4 and name HB2) 2.9 0.6 0.6 volume=3.148 peak=691 ppm1=8.351 ppm2=2.045
assign ( resid 120 and name H) ( resid 120 and name HG1*) 3.0 0.6 0.6 volume=2.776 peak=485 ppm1=7.322 ppm2=0.194
assign ( resid 129 and name H) ( resid 10 and name H) 4.2 0.8 0.8 volume=0.332 peak=627 ppm1=8.812 ppm2=9.809
assign ( resid 45 and name H) ( resid 44 and name HA) 3.4 0.7 0.7 volume=1.123 peak=475 ppm1=9.247 ppm2=4.407
assign ( resid 97 and name HE1) ( resid 95 and name HB3) 4.4 0.9 0.9 volume=0.270 peak=428 ppm1=10.654 ppm2=2.575
assign ( resid 84 and name H) ( resid 84 and name HA) 3.9 0.8 0.8 volume=0.548 peak=705 ppm1=8.052 ppm2=5.595
assign ( resid 17 and name H) ( resid 29 and name H) 3.4 0.7 0.7 volume=1.226 peak=459 ppm1=8.299 ppm2=8.038
assign ( resid 122 and name H) ( resid 121 and name HB2) 3.4 0.7 0.7 volume=1.185 peak=266 ppm1=9.203 ppm2=1.722
assign ( resid 96 and name H) ( resid 95 and name HB2) 4.0 0.8 0.8 volume=0.457 peak=267 ppm1=7.941 ppm2=2.697
assign ( resid 19 and name H) ( resid 27 and name HD2*) 3.3 0.7 0.7 volume=1.311 peak=88 ppm1=9.130 ppm2=0.810
assign ( resid 66 and name H) ( resid 65 and name HB2) 3.1 0.6 0.6 volume=2.220 peak=136 ppm1=8.076 ppm2=2.229
assign ( resid 120 and name H) ( resid 120 and name HG2*) 3.2 0.6 0.6 volume=1.788 peak=657 ppm1=7.324 ppm2=0.580
assign ( resid 49 and name H) ( resid 47 and name HG2*) 4.0 0.8 0.8 volume=0.425 peak=523 ppm1=7.393 ppm2=0.743
assign ( resid 56 and name H) ( resid 56 and name HD1*) 3.6 0.7 0.7 volume=0.819 peak=332 ppm1=8.255 ppm2=-0.080
assign ( resid 49 and name HD21) ( resid 49 and name HD22) 3.0 0.6 0.6 volume=2.330 peak=502 ppm1=7.813 ppm2=7.240
assign ( resid 7 and name H) ( resid 6 and name HA) 3.0 0.6 0.6 volume=2.581 peak=369 ppm1=8.623 ppm2=5.208
assign ( resid 44 and name H) ( resid 43 and name HA2) 3.1 0.6 0.6 volume=1.955 peak=384 ppm1=7.481 ppm2=3.634
assign ( resid 11 and name H) ( resid 16 and name H) 3.6 0.7 0.7 volume=0.790 peak=285 ppm1=8.622 ppm2=8.058
assign ( resid 119 and name H) ( resid 120 and name HG1*) 3.6 0.7 0.7 volume=0.884 peak=767 ppm1=7.351 ppm2=0.200
assign ( resid 40 and name H) ( resid 40 and name HG2*) 3.4 0.7 0.7 volume=1.289 peak=653 ppm1=8.620 ppm2=1.114
assign ( resid 21 and name H) ( resid 24 and name HA) 3.8 0.8 0.8 volume=0.638 peak=635 ppm1=8.458 ppm2=4.756
assign ( resid 122 and name H) ( resid 122 and name HB2) 2.9 0.6 0.6 volume=2.858 peak=347 ppm1=9.204 ppm2=1.696
assign ( resid 94 and name H) ( resid 96 and name HD2*) 4.6 0.9 0.9 volume=0.189 peak=759 ppm1=8.642 ppm2=0.709
assign ( resid 116 and name H) ( resid 27 and name HD2*) 3.2 0.6 0.6 volume=1.614 peak=525 ppm1=8.639 ppm2=0.810
assign ( resid 94 and name H) ( resid 94 and name HA3) 2.8 0.6 0.6 volume=3.871 peak=752 ppm1=8.642 ppm2=3.885
assign ( resid 104 and name H) ( resid 102 and name HA) 4.5 0.9 0.9 volume=0.231 peak=76 ppm1=8.820 ppm2=4.614
assign ( resid 96 and name H) ( resid 96 and name HD2*) 3.1 0.6 0.6 volume=2.013 peak=381 ppm1=7.945 ppm2=0.709
assign ( resid 121 and name H) ( resid 120 and name H) 3.7 0.7 0.7 volume=0.714 peak=151 ppm1=8.075 ppm2=7.335
assign ( resid 72 and name H) ( resid 70 and name HB) 4.0 0.8 0.8 volume=0.424 peak=432 ppm1=10.274 ppm2=2.785
assign ( resid 89 and name HE22) ( resid 89 and name HE21) 3.4 0.7 0.7 volume=1.141 peak=292 ppm1=7.154 ppm2=7.605
assign ( resid 97 and name HE1) ( resid 97 and name HD1) 3.2 0.6 0.6 volume=1.708 peak=629 ppm1=10.650 ppm2=7.455
assign ( resid 93 and name H) ( resid 100 and name HD3) 4.8 1.0 1.0 volume=0.152 peak=756 ppm1=7.969 ppm2=3.094
assign ( resid 122 and name H) ( resid 122 and name HA) 3.9 0.8 0.8 volume=0.556 peak=257 ppm1=9.197 ppm2=3.694
assign ( resid 17 and name H) ( resid 10 and name HG2*) 3.7 0.7 0.7 volume=0.682 peak=586 ppm1=8.297 ppm2=0.686
assign ( resid 124 and name H) ( resid 124 and name HG2*) 3.5 0.7 0.7 volume=0.942 peak=596 ppm1=7.376 ppm2=1.558
assign ( resid 31 and name H) ( resid 30 and name HB3) 4.0 0.8 0.8 volume=0.462 peak=764 ppm1=7.631 ppm2=2.668
assign ( resid 55 and name H) ( resid 54 and name HA) 2.7 0.5 0.5 volume=4.862 peak=360 ppm1=8.442 ppm2=4.497
assign ( resid 88 and name HE1) ( resid 89 and name HB2) 3.7 0.7 0.7 volume=0.737 peak=763 ppm1=10.772 ppm2=1.602
assign ( resid 96 and name H) ( resid 96 and name HB3) 3.5 0.7 0.7 volume=0.987 peak=367 ppm1=7.935 ppm2=2.086
assign ( resid 127 and name H) ( resid 127 and name HB2) 3.1 0.6 0.6 volume=2.071 peak=718 ppm1=9.581 ppm2=1.845
assign ( resid 89 and name HE22) ( resid 100 and name HB3) 4.6 0.9 0.9 volume=0.185 peak=740 ppm1=7.156 ppm2=1.492
assign ( resid 43 and name H) ( resid 42 and name HA) 3.3 0.7 0.7 volume=1.438 peak=46 ppm1=9.155 ppm2=4.356
assign ( resid 47 and name H) ( resid 47 and name HG2*) 3.7 0.7 0.7 volume=0.754 peak=324 ppm1=8.325 ppm2=0.742
assign ( resid 119 and name H) ( resid 118 and name H) 3.4 0.7 0.7 volume=1.272 peak=305 ppm1=7.345 ppm2=7.191
assign ( resid 97 and name HE1) ( resid 95 and name HA) 3.3 0.7 0.7 volume=1.428 peak=115 ppm1=10.652 ppm2=5.151
assign ( resid 98 and name H) ( resid 98 and name HG3) 3.3 0.7 0.7 volume=1.455 peak=534 ppm1=6.521 ppm2=-0.335
assign ( resid 116 and name H) ( resid 116 and name HB3) 3.1 0.6 0.6 volume=2.106 peak=724 ppm1=8.641 ppm2=1.192
assign ( resid 92 and name H) ( resid 96 and name HD1*) 3.5 0.7 0.7 volume=1.006 peak=605 ppm1=8.619 ppm2=0.615
assign ( resid 29 and name H) ( resid 27 and name HD2*) 3.5 0.7 0.7 volume=0.945 peak=154 ppm1=8.039 ppm2=0.815
assign ( resid 38 and name H) ( resid 97 and name HA) 4.3 0.9 0.9 volume=0.282 peak=427 ppm1=7.697 ppm2=3.736
assign ( resid 33 and name H) ( resid 32 and name HG1*) 3.3 0.7 0.7 volume=1.450 peak=168 ppm1=8.607 ppm2=1.103
assign ( resid 106 and name H) ( resid 105 and name H) 4.7 0.9 0.9 volume=0.164 peak=704 ppm1=8.571 ppm2=7.732
assign ( resid 95 and name H) ( resid 95 and name HB2) 3.3 0.7 0.7 volume=1.418 peak=670 ppm1=8.531 ppm2=2.706
assign ( resid 56 and name H) ( resid 68 and name H) 4.1 0.8 0.8 volume=0.389 peak=96 ppm1=8.249 ppm2=9.289
assign ( resid 67 and name H) ( resid 66 and name HD*) 3.6 0.7 0.7 volume=0.894 peak=155 ppm1=8.226 ppm2=6.375
assign ( resid 68 and name H) ( resid 67 and name HB3) 4.1 0.8 0.8 volume=0.363 peak=298 ppm1=9.303 ppm2=1.728
assign ( resid 4 and name H) ( resid 4 and name HB3) 2.7 0.5 0.5 volume=4.508 peak=264 ppm1=8.356 ppm2=1.865
assign ( resid 112 and name H) ( resid 112 and name HA) 3.0 0.6 0.6 volume=2.409 peak=758 ppm1=6.714 ppm2=3.856
assign ( resid 49 and name H) ( resid 47 and name HG1*) 3.3 0.7 0.7 volume=1.359 peak=590 ppm1=7.395 ppm2=0.692
assign ( resid 106 and name H) ( resid 106 and name HB) 3.5 0.7 0.7 volume=0.989 peak=663 ppm1=8.586 ppm2=1.668
assign ( resid 104 and name H) ( resid 97 and name HA) 3.6 0.7 0.7 volume=0.807 peak=218 ppm1=8.818 ppm2=3.752
assign ( resid 14 and name HD21) ( resid 14 and name HA) 3.9 0.8 0.8 volume=0.563 peak=453 ppm1=7.062 ppm2=4.802
assign ( resid 14 and name HD22) ( resid 14 and name H) 3.9 0.8 0.8 volume=0.491 peak=35 ppm1=8.994 ppm2=7.701
assign ( resid 62 and name H) ( resid 61 and name HA) 3.1 0.6 0.6 volume=1.946 peak=122 ppm1=7.735 ppm2=4.376
assign ( resid 117 and name H) ( resid 116 and name HA) 3.8 0.8 0.8 volume=0.614 peak=562 ppm1=8.822 ppm2=3.551
assign ( resid 102 and name H) ( resid 101 and name H) 3.8 0.8 0.8 volume=0.584 peak=362 ppm1=8.514 ppm2=7.187
assign ( resid 88 and name H) ( resid 88 and name HA) 3.5 0.7 0.7 volume=1.063 peak=300 ppm1=6.999 ppm2=4.636
assign ( resid 19 and name H) ( resid 27 and name HD1*) 3.4 0.7 0.7 volume=1.139 peak=250 ppm1=9.125 ppm2=0.656
assign ( resid 70 and name H) ( resid 55 and name HA) 3.3 0.7 0.7 volume=1.359 peak=235 ppm1=8.645 ppm2=4.321
assign ( resid 13 and name H) ( resid 15 and name H) 3.7 0.7 0.7 volume=0.669 peak=417 ppm1=9.088 ppm2=8.032
assign ( resid 83 and name H) ( resid 84 and name H) 3.9 0.8 0.8 volume=0.532 peak=617 ppm1=8.224 ppm2=8.042
assign ( resid 72 and name H) ( resid 71 and name HB2) 3.6 0.7 0.7 volume=0.850 peak=761 ppm1=10.277 ppm2=1.727
assign ( resid 89 and name H) ( resid 116 and name HA) 4.3 0.9 0.9 volume=0.275 peak=630 ppm1=7.155 ppm2=3.554
assign ( resid 58 and name H) ( resid 58 and name HA3) 3.5 0.7 0.7 volume=1.003 peak=689 ppm1=6.487 ppm2=3.791
assign ( resid 32 and name H) ( resid 32 and name HA) 3.7 0.7 0.7 volume=0.753 peak=644 ppm1=8.258 ppm2=4.786
assign ( resid 128 and name H) ( resid 42 and name HA) 3.7 0.7 0.7 volume=0.763 peak=373 ppm1=9.070 ppm2=4.368
assign ( resid 118 and name H) ( resid 119 and name HA) 4.8 1.0 1.0 volume=0.145 peak=74 ppm1=7.195 ppm2=4.448
assign ( resid 114 and name H) ( resid 115 and name H) 3.2 0.6 0.6 volume=1.610 peak=622 ppm1=7.493 ppm2=6.755
assign ( resid 88 and name HE1) ( resid 107 and name HB2) 4.3 0.9 0.9 volume=0.289 peak=575 ppm1=10.769 ppm2=3.359
assign ( resid 71 and name H) ( resid 72 and name H) 3.4 0.7 0.7 volume=1.250 peak=110 ppm1=10.486 ppm2=10.281
assign ( resid 6 and name H) ( resid 5 and name HA) 3.1 0.6 0.6 volume=2.041 peak=330 ppm1=7.712 ppm2=4.667
assign ( resid 115 and name H) ( resid 115 and name HA) 3.0 0.6 0.6 volume=2.582 peak=556 ppm1=6.755 ppm2=3.945
assign ( resid 64 and name H) ( resid 64 and name HA) 3.4 0.7 0.7 volume=1.235 peak=442 ppm1=8.116 ppm2=4.559
assign ( resid 29 and name H) ( resid 28 and name HA) 2.9 0.6 0.6 volume=2.886 peak=364 ppm1=8.037 ppm2=4.978
assign ( resid 123 and name H) ( resid 47 and name HG1*) 3.6 0.7 0.7 volume=0.901 peak=614 ppm1=9.501 ppm2=0.693
assign ( resid 127 and name H) ( resid 9 and name HA) 3.9 0.8 0.8 volume=0.507 peak=695 ppm1=9.582 ppm2=5.753
assign ( resid 114 and name H) ( resid 114 and name HG2) 3.4 0.7 0.7 volume=1.109 peak=244 ppm1=7.488 ppm2=1.145
assign ( resid 11 and name H) ( resid 10 and name HA) 3.2 0.6 0.6 volume=1.586 peak=326 ppm1=8.623 ppm2=4.524
assign ( resid 17 and name H) ( resid 16 and name HA) 3.2 0.6 0.6 volume=1.766 peak=450 ppm1=8.302 ppm2=4.965
assign ( resid 104 and name H) ( resid 105 and name H) 4.3 0.9 0.9 volume=0.300 peak=637 ppm1=8.820 ppm2=7.740
assign ( resid 55 and name H) ( resid 69 and name HB2) 4.1 0.8 0.8 volume=0.375 peak=108 ppm1=8.447 ppm2=2.215
assign ( resid 99 and name H) ( resid 100 and name H) 3.1 0.6 0.6 volume=1.955 peak=368 ppm1=7.390 ppm2=8.898
assign ( resid 113 and name H) ( resid 112 and name HB) 3.3 0.7 0.7 volume=1.449 peak=743 ppm1=8.557 ppm2=1.742
assign ( resid 96 and name H) ( resid 97 and name H) 4.1 0.8 0.8 volume=0.385 peak=142 ppm1=7.952 ppm2=9.572
assign ( resid 82 and name H) ( resid 81 and name HA) 3.2 0.6 0.6 volume=1.560 peak=455 ppm1=6.937 ppm2=3.717
assign ( resid 7 and name H) ( resid 6 and name HG2*) 2.9 0.6 0.6 volume=2.802 peak=524 ppm1=8.632 ppm2=1.578
assign ( resid 105 and name H) ( resid 105 and name HB3) 3.8 0.8 0.8 volume=0.631 peak=230 ppm1=7.732 ppm2=4.097
assign ( resid 89 and name H) ( resid 89 and name HB2) 3.1 0.6 0.6 volume=2.181 peak=249 ppm1=7.160 ppm2=1.604
assign ( resid 106 and name H) ( resid 106 and name HG2*) 3.0 0.6 0.6 volume=2.531 peak=757 ppm1=8.570 ppm2=0.613
assign ( resid 98 and name H) ( resid 97 and name H) 4.5 0.9 0.9 volume=0.220 peak=206 ppm1=6.526 ppm2=9.571
assign ( resid 63 and name H) ( resid 63 and name HA3) 2.7 0.5 0.5 volume=5.236 peak=573 ppm1=8.156 ppm2=4.362
assign ( resid 104 and name H) ( resid 103 and name HA) 4.1 0.8 0.8 volume=0.396 peak=159 ppm1=8.830 ppm2=4.966
assign ( resid 50 and name H) ( resid 49 and name HA) 3.0 0.6 0.6 volume=2.780 peak=492 ppm1=7.683 ppm2=4.652
assign ( resid 112 and name H) ( resid 109 and name HB2) 4.3 0.9 0.9 volume=0.300 peak=719 ppm1=6.718 ppm2=1.998
assign ( resid 55 and name H) ( resid 55 and name HA) 3.2 0.6 0.6 volume=1.582 peak=221 ppm1=8.439 ppm2=4.317
assign ( resid 8 and name H) ( resid 8 and name HD1*) 3.4 0.7 0.7 volume=1.198 peak=5 ppm1=9.216 ppm2=0.621
assign ( resid 101 and name H) ( resid 35 and name H) 4.5 0.9 0.9 volume=0.216 peak=252 ppm1=7.194 ppm2=8.321
assign ( resid 93 and name H) ( resid 32 and name HA) 4.1 0.8 0.8 volume=0.369 peak=116 ppm1=7.965 ppm2=4.776
assign ( resid 15 and name HE21) ( resid 15 and name HE22) 3.0 0.6 0.6 volume=2.697 peak=334 ppm1=7.370 ppm2=6.745
assign ( resid 116 and name H) ( resid 116 and name HA) 3.3 0.7 0.7 volume=1.355 peak=192 ppm1=8.645 ppm2=3.541
assign ( resid 118 and name H) ( resid 118 and name HA2) 2.8 0.6 0.6 volume=3.793 peak=585 ppm1=7.199 ppm2=3.805
assign ( resid 55 and name H) ( resid 54 and name H) 4.3 0.9 0.9 volume=0.307 peak=568 ppm1=8.443 ppm2=7.091
assign ( resid 63 and name H) ( resid 62 and name HA) 3.1 0.6 0.6 volume=1.897 peak=437 ppm1=8.158 ppm2=4.525
assign ( resid 97 and name HE1) ( resid 96 and name H) 4.7 0.9 0.9 volume=0.168 peak=770 ppm1=10.654 ppm2=7.928
assign ( resid 37 and name H) ( resid 35 and name HG2) 3.5 0.7 0.7 volume=0.965 peak=75 ppm1=7.283 ppm2=1.580
assign ( resid 62 and name H) ( resid 60 and name HA) 3.9 0.8 0.8 volume=0.540 peak=124 ppm1=7.731 ppm2=4.960
assign ( resid 3 and name H) ( resid 2 and name HA) 3.4 0.7 0.7 volume=1.191 peak=121 ppm1=8.423 ppm2=4.617
assign ( resid 67 and name H) ( resid 67 and name HB3) 3.5 0.7 0.7 volume=1.042 peak=91 ppm1=8.222 ppm2=1.727
assign ( resid 108 and name H) ( resid 85 and name HA) 4.0 0.8 0.8 volume=0.418 peak=245 ppm1=8.148 ppm2=5.148
assign ( resid 89 and name H) ( resid 89 and name HB3) 3.4 0.7 0.7 volume=1.243 peak=187 ppm1=7.149 ppm2=1.196
assign ( resid 12 and name H) ( resid 12 and name HD2*) 3.3 0.7 0.7 volume=1.328 peak=482 ppm1=9.540 ppm2=0.405
assign ( resid 16 and name H) ( resid 10 and name HG2*) 3.9 0.8 0.8 volume=0.513 peak=402 ppm1=8.059 ppm2=0.686
assign ( resid 119 and name H) ( resid 124 and name HB) 3.7 0.7 0.7 volume=0.727 peak=551 ppm1=7.346 ppm2=3.781
assign ( resid 71 and name H) ( resid 71 and name HB3) 3.5 0.7 0.7 volume=1.084 peak=191 ppm1=10.486 ppm2=2.388
assign ( resid 100 and name H) ( resid 98 and name H) 4.1 0.8 0.8 volume=0.366 peak=55 ppm1=8.884 ppm2=6.525
assign ( resid 10 and name H) ( resid 10 and name HB) 3.7 0.7 0.7 volume=0.671 peak=106 ppm1=9.795 ppm2=2.146
assign ( resid 30 and name H) ( resid 30 and name HB2) 3.1 0.6 0.6 volume=2.230 peak=64 ppm1=8.386 ppm2=2.570
assign ( resid 121 and name H) ( resid 121 and name HB3) 3.3 0.7 0.7 volume=1.544 peak=40 ppm1=8.078 ppm2=2.072
assign ( resid 22 and name H) ( resid 21 and name H) 4.5 0.9 0.9 volume=0.230 peak=645 ppm1=8.658 ppm2=8.465
assign ( resid 51 and name H) ( resid 51 and name HG2) 3.1 0.6 0.6 volume=2.010 peak=251 ppm1=9.565 ppm2=2.269
assign ( resid 16 and name H) ( resid 31 and name HG12) 4.1 0.8 0.8 volume=0.373 peak=448 ppm1=8.058 ppm2=0.780
assign ( resid 6 and name H) ( resid 5 and name H) 3.2 0.6 0.6 volume=1.746 peak=234 ppm1=7.711 ppm2=8.420
assign ( resid 29 and name H) ( resid 28 and name HB3) 3.1 0.6 0.6 volume=2.126 peak=497 ppm1=8.031 ppm2=1.919
assign ( resid 25 and name H) ( resid 20 and name HD*) 4.6 0.9 0.9 volume=0.183 peak=593 ppm1=8.682 ppm2=6.202
assign ( resid 114 and name H) ( resid 113 and name H) 3.6 0.7 0.7 volume=0.857 peak=371 ppm1=7.496 ppm2=8.571
assign ( resid 49 and name HD22) ( resid 49 and name HB3) 3.7 0.7 0.7 volume=0.703 peak=325 ppm1=7.241 ppm2=1.985
assign ( resid 104 and name H) ( resid 106 and name H) 4.8 1.0 1.0 volume=0.157 peak=771 ppm1=8.813 ppm2=8.571
assign ( resid 104 and name H) ( resid 104 and name HA3) 3.6 0.7 0.7 volume=0.888 peak=751 ppm1=8.823 ppm2=3.190
assign ( resid 56 and name H) ( resid 68 and name HB2) 4.0 0.8 0.8 volume=0.476 peak=189 ppm1=8.263 ppm2=3.358
assign ( resid 119 and name H) ( resid 119 and name HB2) 3.1 0.6 0.6 volume=2.241 peak=342 ppm1=7.346 ppm2=1.978
assign ( resid 92 and name H) ( resid 92 and name HB3) 3.3 0.7 0.7 volume=1.390 peak=675 ppm1=8.628 ppm2=2.574
assign ( resid 60 and name HD21) ( resid 60 and name HD22) 3.0 0.6 0.6 volume=2.402 peak=316 ppm1=7.533 ppm2=6.880
assign ( resid 3 and name H) ( resid 3 and name HB2) 3.5 0.7 0.7 volume=0.938 peak=118 ppm1=8.417 ppm2=1.927
assign ( resid 83 and name H) ( resid 81 and name HA) 3.6 0.7 0.7 volume=0.851 peak=63 ppm1=8.225 ppm2=3.704
assign ( resid 87 and name H) ( resid 87 and name HB3) 3.2 0.6 0.6 volume=1.586 peak=480 ppm1=9.670 ppm2=2.712
assign ( resid 87 and name H) ( resid 88 and name HA) 4.9 1.0 1.0 volume=0.134 peak=389 ppm1=9.666 ppm2=4.630
assign ( resid 85 and name H) ( resid 85 and name HB3) 3.7 0.7 0.7 volume=0.735 peak=410 ppm1=10.288 ppm2=2.348
assign ( resid 37 and name H) ( resid 37 and name HG2*) 3.0 0.6 0.6 volume=2.649 peak=200 ppm1=7.288 ppm2=1.285
assign ( resid 112 and name H) ( resid 114 and name H) 4.4 0.9 0.9 volume=0.242 peak=98 ppm1=6.719 ppm2=7.484
assign ( resid 94 and name H) ( resid 93 and name H) 3.4 0.7 0.7 volume=1.116 peak=162 ppm1=8.641 ppm2=7.948
assign ( resid 93 and name H) ( resid 92 and name HA) 3.1 0.6 0.6 volume=1.996 peak=591 ppm1=7.966 ppm2=4.433
assign ( resid 60 and name H) ( resid 59 and name HG2*) 3.2 0.6 0.6 volume=1.595 peak=103 ppm1=9.471 ppm2=1.114
assign ( resid 26 and name H) ( resid 25 and name HG1*) 3.4 0.7 0.7 volume=1.133 peak=182 ppm1=9.289 ppm2=0.671
assign ( resid 10 and name H) ( resid 128 and name HA) 3.8 0.8 0.8 volume=0.661 peak=668 ppm1=9.799 ppm2=5.013
assign ( resid 20 and name H) ( resid 19 and name HA) 3.3 0.7 0.7 volume=1.440 peak=135 ppm1=8.960 ppm2=5.346
assign ( resid 85 and name H) ( resid 84 and name HA) 3.5 0.7 0.7 volume=1.052 peak=17 ppm1=10.289 ppm2=5.590
assign ( resid 71 and name HD21) ( resid 71 and name H) 4.0 0.8 0.8 volume=0.454 peak=232 ppm1=7.435 ppm2=10.495
assign ( resid 85 and name H) ( resid 84 and name H) 3.9 0.8 0.8 volume=0.551 peak=577 ppm1=10.296 ppm2=8.049
assign ( resid 73 and name H) ( resid 113 and name HE*) 3.4 0.7 0.7 volume=1.112 peak=553 ppm1=9.036 ppm2=2.061
assign ( resid 18 and name HE1) ( resid 16 and name HB2) 3.6 0.7 0.7 volume=0.888 peak=569 ppm1=10.299 ppm2=2.661
assign ( resid 112 and name H) ( resid 111 and name H) 4.0 0.8 0.8 volume=0.418 peak=247 ppm1=6.704 ppm2=8.916
assign ( resid 98 and name H) ( resid 98 and name HA) 3.4 0.7 0.7 volume=1.134 peak=484 ppm1=6.524 ppm2=3.097
assign ( resid 129 and name H) ( resid 129 and name HB3) 3.9 0.8 0.8 volume=0.507 peak=143 ppm1=8.813 ppm2=2.986
assign ( resid 95 and name H) ( resid 94 and name HA3) 2.7 0.5 0.5 volume=4.456 peak=741 ppm1=8.530 ppm2=3.882
assign ( resid 93 and name H) ( resid 92 and name H) 3.7 0.7 0.7 volume=0.760 peak=477 ppm1=7.965 ppm2=8.626
assign ( resid 80 and name H) ( resid 83 and name H) 4.0 0.8 0.8 volume=0.439 peak=58 ppm1=7.636 ppm2=8.217
assign ( resid 115 and name H) ( resid 115 and name HB2) 2.8 0.6 0.6 volume=3.526 peak=512 ppm1=6.758 ppm2=2.007
assign ( resid 107 and name H) ( resid 106 and name HA) 3.3 0.7 0.7 volume=1.465 peak=308 ppm1=8.907 ppm2=3.908
assign ( resid 43 and name H) ( resid 44 and name H) 4.4 0.9 0.9 volume=0.249 peak=89 ppm1=9.152 ppm2=7.494
assign ( resid 101 and name H) ( resid 102 and name H) 3.9 0.8 0.8 volume=0.503 peak=578 ppm1=7.199 ppm2=8.512
assign ( resid 37 and name H) ( resid 97 and name HA) 4.4 0.9 0.9 volume=0.240 peak=559 ppm1=7.282 ppm2=3.745
assign ( resid 83 and name H) ( resid 74 and name HE*) 3.7 0.7 0.7 volume=0.698 peak=49 ppm1=8.224 ppm2=1.646
assign ( resid 97 and name H) ( resid 32 and name HG1*) 3.8 0.8 0.8 volume=0.648 peak=416 ppm1=9.565 ppm2=1.111
assign ( resid 68 and name H) ( resid 55 and name HG2*) 3.5 0.7 0.7 volume=1.080 peak=519 ppm1=9.302 ppm2=0.816
assign ( resid 29 and name H) ( resid 29 and name HA) 3.4 0.7 0.7 volume=1.203 peak=699 ppm1=8.041 ppm2=4.350
assign ( resid 112 and name H) ( resid 113 and name H) 3.4 0.7 0.7 volume=1.257 peak=6 ppm1=6.727 ppm2=8.553
assign ( resid 6 and name H) ( resid 7 and name H) 3.7 0.7 0.7 volume=0.703 peak=692 ppm1=7.709 ppm2=8.621
assign ( resid 19 and name H) ( resid 18 and name HB2) 3.7 0.7 0.7 volume=0.720 peak=36 ppm1=9.121 ppm2=2.661
assign ( resid 116 and name H) ( resid 115 and name HB3) 2.9 0.6 0.6 volume=3.230 peak=67 ppm1=8.636 ppm2=2.012
assign ( resid 74 and name H) ( resid 84 and name HB2) 4.6 0.9 0.9 volume=0.201 peak=639 ppm1=8.012 ppm2=4.010
assign ( resid 72 and name H) ( resid 71 and name H) 4.1 0.8 0.8 volume=0.373 peak=499 ppm1=10.277 ppm2=10.486
assign ( resid 23 and name H) ( resid 21 and name HG3) 4.7 0.9 0.9 volume=0.173 peak=584 ppm1=8.837 ppm2=1.190
assign ( resid 18 and name HE1) ( resid 27 and name HG) 4.4 0.9 0.9 volume=0.249 peak=674 ppm1=10.298 ppm2=1.512
assign ( resid 55 and name H) ( resid 70 and name HG2*) 3.7 0.7 0.7 volume=0.735 peak=449 ppm1=8.445 ppm2=0.609
assign ( resid 97 and name HE1) ( resid 15 and name HG3) 4.6 0.9 0.9 volume=0.205 peak=623 ppm1=10.656 ppm2=2.908
assign ( resid 89 and name HE22) ( resid 96 and name HB2) 3.5 0.7 0.7 volume=0.955 peak=609 ppm1=7.149 ppm2=1.105
assign ( resid 37 and name H) ( resid 37 and name HA) 3.2 0.6 0.6 volume=1.610 peak=354 ppm1=7.282 ppm2=4.273
assign ( resid 93 and name H) ( resid 96 and name HB3) 4.6 0.9 0.9 volume=0.197 peak=430 ppm1=7.965 ppm2=2.092
assign ( resid 88 and name HE1) ( resid 107 and name HB3) 4.4 0.9 0.9 volume=0.249 peak=171 ppm1=10.767 ppm2=3.472
assign ( resid 60 and name H) ( resid 59 and name HB) 3.4 0.7 0.7 volume=1.178 peak=14 ppm1=9.472 ppm2=3.851
assign ( resid 71 and name H) ( resid 70 and name HG1*) 3.6 0.7 0.7 volume=0.795 peak=765 ppm1=10.487 ppm2=1.004
assign ( resid 13 and name H) ( resid 11 and name HA) 3.9 0.8 0.8 volume=0.520 peak=363 ppm1=9.085 ppm2=4.278
assign ( resid 121 and name H) ( resid 121 and name HB2) 3.2 0.6 0.6 volume=1.791 peak=616 ppm1=8.068 ppm2=1.722
assign ( resid 127 and name H) ( resid 127 and name HA) 4.1 0.8 0.8 volume=0.405 peak=541 ppm1=9.581 ppm2=5.014
assign ( resid 100 and name H) ( resid 100 and name HB2) 3.7 0.7 0.7 volume=0.745 peak=282 ppm1=8.896 ppm2=2.279
assign ( resid 13 and name H) ( resid 14 and name H) 3.2 0.6 0.6 volume=1.648 peak=274 ppm1=9.093 ppm2=7.702
assign ( resid 121 and name H) ( resid 120 and name HG2*) 3.2 0.6 0.6 volume=1.762 peak=483 ppm1=8.074 ppm2=0.577
assign ( resid 34 and name H) ( resid 33 and name HB3) 4.3 0.9 0.9 volume=0.300 peak=195 ppm1=8.130 ppm2=4.522
assign ( resid 84 and name H) ( resid 83 and name HA) 3.3 0.7 0.7 volume=1.448 peak=382 ppm1=8.052 ppm2=4.611
assign ( resid 8 and name H) ( resid 7 and name HB3) 3.8 0.8 0.8 volume=0.618 peak=659 ppm1=9.211 ppm2=3.513
assign ( resid 89 and name H) ( resid 89 and name HA) 3.6 0.7 0.7 volume=0.909 peak=309 ppm1=7.155 ppm2=5.167
assign ( resid 21 and name H) ( resid 26 and name H) 3.6 0.7 0.7 volume=0.796 peak=412 ppm1=8.454 ppm2=9.282
assign ( resid 120 and name H) ( resid 120 and name HA) 3.2 0.6 0.6 volume=1.727 peak=588 ppm1=7.323 ppm2=3.694
assign ( resid 43 and name H) ( resid 43 and name HA2) 3.6 0.7 0.7 volume=0.863 peak=439 ppm1=9.160 ppm2=3.645
assign ( resid 101 and name H) ( resid 99 and name H) 4.1 0.8 0.8 volume=0.376 peak=648 ppm1=7.189 ppm2=7.381
assign ( resid 92 and name H) ( resid 32 and name HG2*) 3.6 0.7 0.7 volume=0.883 peak=632 ppm1=8.620 ppm2=1.008
assign ( resid 18 and name H) ( resid 10 and name HG1*) 3.3 0.7 0.7 volume=1.353 peak=470 ppm1=9.637 ppm2=0.600
assign ( resid 16 and name H) ( resid 31 and name HD1*) 3.2 0.6 0.6 volume=1.710 peak=351 ppm1=8.063 ppm2=0.436
assign ( resid 71 and name HD22) ( resid 71 and name H) 4.9 1.0 1.0 volume=0.139 peak=679 ppm1=6.918 ppm2=10.488
assign ( resid 71 and name H) ( resid 71 and name HB2) 3.6 0.7 0.7 volume=0.798 peak=547 ppm1=10.490 ppm2=1.733
assign ( resid 96 and name H) ( resid 96 and name HG) 3.1 0.6 0.6 volume=2.143 peak=241 ppm1=7.941 ppm2=1.711
assign ( resid 66 and name H) ( resid 65 and name HA) 2.7 0.5 0.5 volume=4.680 peak=671 ppm1=8.075 ppm2=4.944
assign ( resid 21 and name H) ( resid 25 and name HA) 3.5 0.7 0.7 volume=1.055 peak=161 ppm1=8.463 ppm2=3.254
assign ( resid 9 and name H) ( resid 9 and name HB3) 3.4 0.7 0.7 volume=1.253 peak=180 ppm1=9.754 ppm2=2.549
assign ( resid 58 and name H) ( resid 66 and name H) 4.4 0.9 0.9 volume=0.267 peak=539 ppm1=6.496 ppm2=8.072
assign ( resid 87 and name H) ( resid 87 and name HB2) 3.4 0.7 0.7 volume=1.295 peak=561 ppm1=9.673 ppm2=2.953
assign ( resid 118 and name H) ( resid 118 and name HA3) 2.8 0.6 0.6 volume=3.713 peak=574 ppm1=7.198 ppm2=3.928
assign ( resid 71 and name H) ( resid 70 and name HB) 3.5 0.7 0.7 volume=1.004 peak=210 ppm1=10.493 ppm2=2.809
assign ( resid 23 and name H) ( resid 20 and name HB3) 4.5 0.9 0.9 volume=0.223 peak=587 ppm1=8.833 ppm2=2.011
assign ( resid 38 and name H) ( resid 35 and name HG2) 3.3 0.7 0.7 volume=1.490 peak=500 ppm1=7.707 ppm2=1.584
assign ( resid 55 and name H) ( resid 55 and name HB) 3.0 0.6 0.6 volume=2.500 peak=685 ppm1=8.438 ppm2=3.744
assign ( resid 9 and name H) ( resid 10 and name HA) 4.8 1.0 1.0 volume=0.155 peak=193 ppm1=9.739 ppm2=4.521
assign ( resid 89 and name H) ( resid 88 and name HE3) 4.0 0.8 0.8 volume=0.427 peak=213 ppm1=7.157 ppm2=8.011
assign ( resid 113 and name H) ( resid 112 and name H) 3.3 0.7 0.7 volume=1.330 peak=727 ppm1=8.561 ppm2=6.720
assign ( resid 114 and name H) ( resid 114 and name HB3) 2.8 0.6 0.6 volume=4.124 peak=688 ppm1=7.490 ppm2=1.753
assign ( resid 12 and name H) ( resid 11 and name HB3) 3.8 0.8 0.8 volume=0.629 peak=183 ppm1=9.547 ppm2=2.864
assign ( resid 93 and name H) ( resid 31 and name H) 5.0 1.0 1.0 volume=0.119 peak=478 ppm1=7.969 ppm2=7.629
assign ( resid 124 and name H) ( resid 123 and name H) 3.8 0.8 0.8 volume=0.631 peak=531 ppm1=7.376 ppm2=9.498
assign ( resid 71 and name H) ( resid 70 and name HA) 3.3 0.7 0.7 volume=1.405 peak=738 ppm1=10.491 ppm2=4.746
assign ( resid 24 and name H) ( resid 24 and name HA) 2.9 0.6 0.6 volume=2.790 peak=42 ppm1=7.599 ppm2=4.752
assign ( resid 49 and name HD21) ( resid 49 and name HB3) 3.9 0.8 0.8 volume=0.498 peak=732 ppm1=7.814 ppm2=1.981
assign ( resid 60 and name HD22) ( resid 60 and name HD21) 3.0 0.6 0.6 volume=2.515 peak=231 ppm1=6.878 ppm2=7.540
assign ( resid 64 and name H) ( resid 64 and name HG2*) 2.9 0.6 0.6 volume=2.958 peak=701 ppm1=8.118 ppm2=1.248
assign ( resid 71 and name HD22) ( resid 71 and name HB3) 3.4 0.7 0.7 volume=1.143 peak=313 ppm1=6.914 ppm2=2.381
assign ( resid 100 and name H) ( resid 100 and name HB3) 3.4 0.7 0.7 volume=1.285 peak=47 ppm1=8.896 ppm2=1.471
assign ( resid 25 and name H) ( resid 25 and name HG1*) 2.8 0.6 0.6 volume=3.921 peak=303 ppm1=8.688 ppm2=0.673
assign ( resid 14 and name H) ( resid 13 and name HA) 3.5 0.7 0.7 volume=0.963 peak=642 ppm1=7.707 ppm2=3.982
assign ( resid 12 and name H) ( resid 12 and name HB2) 3.7 0.7 0.7 volume=0.694 peak=508 ppm1=9.540 ppm2=1.801
assign ( resid 114 and name H) ( resid 10 and name HB) 3.8 0.8 0.8 volume=0.616 peak=424 ppm1=7.487 ppm2=2.142
assign ( resid 60 and name H) ( resid 59 and name HA) 2.9 0.6 0.6 volume=2.826 peak=742 ppm1=9.480 ppm2=4.765
assign ( resid 71 and name HD22) ( resid 71 and name HD21) 2.4 0.5 0.5 volume=10.772 peak=722 ppm1=6.916 ppm2=7.444
assign ( resid 14 and name H) ( resid 13 and name HB3) 3.1 0.6 0.6 volume=2.249 peak=109 ppm1=7.703 ppm2=2.068
assign ( resid 124 and name H) ( resid 120 and name HG2*) 3.6 0.7 0.7 volume=0.889 peak=558 ppm1=7.378 ppm2=0.584
assign ( resid 73 and name H) ( resid 73 and name HB3) 3.5 0.7 0.7 volume=0.938 peak=99 ppm1=9.042 ppm2=2.856
assign ( resid 49 and name HD22) ( resid 49 and name HD21) 2.9 0.6 0.6 volume=2.888 peak=599 ppm1=7.234 ppm2=7.813
assign ( resid 28 and name H) ( resid 29 and name H) 4.1 0.8 0.8 volume=0.364 peak=240 ppm1=8.420 ppm2=8.033
assign ( resid 92 and name H) ( resid 91 and name HB3) 3.2 0.6 0.6 volume=1.849 peak=608 ppm1=8.629 ppm2=1.945
assign ( resid 30 and name H) ( resid 31 and name H) 4.1 0.8 0.8 volume=0.376 peak=564 ppm1=8.386 ppm2=7.626
assign ( resid 83 and name H) ( resid 82 and name HA3) 3.8 0.8 0.8 volume=0.649 peak=650 ppm1=8.220 ppm2=4.188
assign ( resid 22 and name H) ( resid 21 and name HA) 3.3 0.7 0.7 volume=1.333 peak=516 ppm1=8.649 ppm2=4.532
assign ( resid 66 and name H) ( resid 58 and name H) 3.2 0.6 0.6 volume=1.595 peak=126 ppm1=8.082 ppm2=6.478
assign ( resid 7 and name H) ( resid 7 and name HB2) 3.6 0.7 0.7 volume=0.788 peak=638 ppm1=8.622 ppm2=2.703
assign ( resid 14 and name HD21) ( resid 13 and name HG3) 3.3 0.7 0.7 volume=1.535 peak=491 ppm1=7.069 ppm2=2.263
assign ( resid 60 and name H) ( resid 64 and name H) 3.5 0.7 0.7 volume=0.991 peak=268 ppm1=9.481 ppm2=8.098
assign ( resid 37 and name H) ( resid 36 and name HB2) 3.9 0.8 0.8 volume=0.487 peak=700 ppm1=7.284 ppm2=2.509
assign ( resid 18 and name HE1) ( resid 83 and name HA) 4.3 0.9 0.9 volume=0.282 peak=745 ppm1=10.288 ppm2=4.585
assign ( resid 19 and name H) ( resid 18 and name HB3) 3.7 0.7 0.7 volume=0.689 peak=11 ppm1=9.123 ppm2=3.269
assign ( resid 99 and name H) ( resid 100 and name HA) 3.7 0.7 0.7 volume=0.738 peak=258 ppm1=7.386 ppm2=4.771
assign ( resid 106 and name H) ( resid 82 and name H) 4.6 0.9 0.9 volume=0.196 peak=201 ppm1=8.572 ppm2=6.940
assign ( resid 54 and name H) ( resid 53 and name H) 3.2 0.6 0.6 volume=1.780 peak=597 ppm1=7.089 ppm2=8.340
assign ( resid 100 and name H) ( resid 99 and name HG2*) 3.4 0.7 0.7 volume=1.164 peak=323 ppm1=8.900 ppm2=1.092
assign ( resid 30 and name H) ( resid 30 and name HB3) 3.6 0.7 0.7 volume=0.861 peak=438 ppm1=8.384 ppm2=2.670
assign ( resid 23 and name H) ( resid 5 and name HA) 4.3 0.9 0.9 volume=0.289 peak=730 ppm1=8.835 ppm2=4.685
assign ( resid 46 and name H) ( resid 45 and name HA) 3.7 0.7 0.7 volume=0.706 peak=128 ppm1=7.923 ppm2=5.049
assign ( resid 37 and name H) ( resid 38 and name H) 3.3 0.7 0.7 volume=1.533 peak=542 ppm1=7.284 ppm2=7.698
assign ( resid 31 and name H) ( resid 16 and name HA) 4.2 0.8 0.8 volume=0.318 peak=702 ppm1=7.624 ppm2=4.962
assign ( resid 108 and name H) ( resid 107 and name HA) 3.3 0.7 0.7 volume=1.420 peak=276 ppm1=8.154 ppm2=3.985
assign ( resid 31 and name H) ( resid 17 and name H) 4.4 0.9 0.9 volume=0.238 peak=202 ppm1=7.621 ppm2=8.299
assign ( resid 14 and name HD21) ( resid 14 and name HD22) 2.8 0.6 0.6 volume=4.026 peak=425 ppm1=7.063 ppm2=8.991
assign ( resid 24 and name H) ( resid 24 and name HB3) 2.6 0.5 0.5 volume=5.644 peak=436 ppm1=7.598 ppm2=1.697
assign ( resid 97 and name HE1) ( resid 98 and name HD3) 4.5 0.9 0.9 volume=0.223 peak=337 ppm1=10.653 ppm2=1.257
assign ( resid 24 and name H) ( resid 22 and name HB2) 3.4 0.7 0.7 volume=1.137 peak=112 ppm1=7.600 ppm2=2.666
assign ( resid 68 and name H) ( resid 68 and name HB3) 3.4 0.7 0.7 volume=1.168 peak=269 ppm1=9.305 ppm2=3.358
assign ( resid 117 and name H) ( resid 118 and name H) 3.5 0.7 0.7 volume=0.951 peak=174 ppm1=8.822 ppm2=7.195
assign ( resid 67 and name H) ( resid 66 and name HA) 2.7 0.5 0.5 volume=4.835 peak=287 ppm1=8.223 ppm2=4.900
assign ( resid 87 and name H) ( resid 110 and name HA) 4.3 0.9 0.9 volume=0.279 peak=24 ppm1=9.666 ppm2=3.984
assign ( resid 20 and name H) ( resid 20 and name HA) 3.8 0.8 0.8 volume=0.577 peak=606 ppm1=8.960 ppm2=4.437
assign ( resid 58 and name H) ( resid 58 and name HA2) 3.5 0.7 0.7 volume=0.971 peak=717 ppm1=6.492 ppm2=3.294
assign ( resid 107 and name H) ( resid 32 and name H) 4.7 0.9 0.9 volume=0.180 peak=550 ppm1=8.910 ppm2=8.263
assign ( resid 100 and name H) ( resid 99 and name H) 3.2 0.6 0.6 volume=1.769 peak=177 ppm1=8.902 ppm2=7.386
assign ( resid 38 and name H) ( resid 35 and name H) 4.5 0.9 0.9 volume=0.230 peak=139 ppm1=7.706 ppm2=8.287
assign ( resid 14 and name H) ( resid 14 and name HA) 3.2 0.6 0.6 volume=1.590 peak=145 ppm1=7.711 ppm2=4.809
assign ( resid 12 and name H) ( resid 12 and name HD1*) 3.2 0.6 0.6 volume=1.598 peak=461 ppm1=9.539 ppm2=0.558
assign ( resid 22 and name H) ( resid 22 and name HB3) 3.7 0.7 0.7 volume=0.671 peak=170 ppm1=8.664 ppm2=2.883
assign ( resid 111 and name H) ( resid 110 and name HB3) 4.0 0.8 0.8 volume=0.464 peak=228 ppm1=8.921 ppm2=2.097
assign ( resid 42 and name H) ( resid 41 and name HA) 2.7 0.5 0.5 volume=4.929 peak=610 ppm1=7.583 ppm2=4.240
assign ( resid 60 and name HD22) ( resid 60 and name HB2) 3.5 0.7 0.7 volume=1.030 peak=746 ppm1=6.879 ppm2=3.037
assign ( resid 112 and name H) ( resid 113 and name HA) 4.2 0.8 0.8 volume=0.331 peak=471 ppm1=6.713 ppm2=4.088
assign ( resid 50 and name H) ( resid 50 and name HD2) 3.1 0.6 0.6 volume=2.041 peak=32 ppm1=7.683 ppm2=1.789
assign ( resid 5 and name H) ( resid 5 and name HA) 3.1 0.6 0.6 volume=2.045 peak=176 ppm1=8.425 ppm2=4.678
assign ( resid 15 and name H) ( resid 14 and name H) 3.2 0.6 0.6 volume=1.811 peak=68 ppm1=8.040 ppm2=7.701
assign ( resid 8 and name H) ( resid 7 and name HA) 3.5 0.7 0.7 volume=0.966 peak=172 ppm1=9.218 ppm2=5.048
assign ( resid 47 and name H) ( resid 47 and name HG1*) 3.1 0.6 0.6 volume=2.030 peak=227 ppm1=8.325 ppm2=0.694
assign ( resid 13 and name H) ( resid 12 and name HB3) 3.6 0.7 0.7 volume=0.893 peak=631 ppm1=9.095 ppm2=0.927
assign ( resid 93 and name H) ( resid 92 and name HB3) 3.3 0.7 0.7 volume=1.435 peak=270 ppm1=7.966 ppm2=2.557
assign ( resid 127 and name H) ( resid 126 and name HA) 3.4 0.7 0.7 volume=1.203 peak=641 ppm1=9.582 ppm2=4.876
assign ( resid 85 and name H) ( resid 72 and name HB2) 4.2 0.8 0.8 volume=0.327 peak=97 ppm1=10.286 ppm2=2.720
assign ( resid 40 and name H) ( resid 40 and name HB) 3.2 0.6 0.6 volume=1.758 peak=602 ppm1=8.611 ppm2=3.681
assign ( resid 80 and name H) ( resid 79 and name H) 4.0 0.8 0.8 volume=0.443 peak=469 ppm1=7.636 ppm2=7.993
assign ( resid 32 and name H) ( resid 31 and name HD1*) 3.3 0.7 0.7 volume=1.343 peak=7 ppm1=8.259 ppm2=0.453
assign ( resid 18 and name HE1) ( resid 16 and name HB3) 3.8 0.8 0.8 volume=0.584 peak=296 ppm1=10.300 ppm2=2.487
assign ( resid 27 and name H) ( resid 19 and name H) 3.5 0.7 0.7 volume=1.016 peak=366 ppm1=7.640 ppm2=9.125
assign ( resid 52 and name H) ( resid 53 and name H) 3.6 0.7 0.7 volume=0.783 peak=101 ppm1=8.693 ppm2=8.335
assign ( resid 60 and name HD22) ( resid 60 and name HA) 3.9 0.8 0.8 volume=0.488 peak=620 ppm1=6.869 ppm2=4.941
assign ( resid 20 and name H) ( resid 7 and name H) 3.7 0.7 0.7 volume=0.735 peak=181 ppm1=8.959 ppm2=8.628
assign ( resid 27 and name H) ( resid 26 and name H) 3.1 0.6 0.6 volume=2.277 peak=215 ppm1=7.640 ppm2=9.281
assign ( resid 33 and name H) ( resid 32 and name HA) 3.2 0.6 0.6 volume=1.817 peak=217 ppm1=8.607 ppm2=4.802
assign ( resid 44 and name H) ( resid 43 and name HA3) 3.1 0.6 0.6 volume=1.913 peak=544 ppm1=7.481 ppm2=4.027
assign ( resid 66 and name H) ( resid 65 and name HB3) 3.1 0.6 0.6 volume=1.935 peak=600 ppm1=8.073 ppm2=1.833
assign ( resid 91 and name H) ( resid 15 and name HB2) 3.8 0.8 0.8 volume=0.574 peak=198 ppm1=7.015 ppm2=2.228
assign ( resid 24 and name H) ( resid 23 and name HA3) 3.0 0.6 0.6 volume=2.433 peak=517 ppm1=7.597 ppm2=4.189
assign ( resid 99 and name H) ( resid 101 and name H) 3.7 0.7 0.7 volume=0.755 peak=401 ppm1=7.399 ppm2=7.198
assign ( resid 54 and name H) ( resid 70 and name H) 4.0 0.8 0.8 volume=0.466 peak=114 ppm1=7.099 ppm2=8.650
assign ( resid 72 and name H) ( resid 70 and name HA) 4.3 0.9 0.9 volume=0.299 peak=166 ppm1=10.279 ppm2=4.754
assign ( resid 12 and name H) ( resid 128 and name HG1*) 4.1 0.8 0.8 volume=0.400 peak=125 ppm1=9.537 ppm2=0.812
assign ( resid 70 and name H) ( resid 69 and name HA) 3.0 0.6 0.6 volume=2.298 peak=51 ppm1=8.644 ppm2=4.914
assign ( resid 124 and name H) ( resid 124 and name HB) 3.4 0.7 0.7 volume=1.250 peak=744 ppm1=7.373 ppm2=3.789
assign ( resid 88 and name HE1) ( resid 88 and name HD1) 3.0 0.6 0.6 volume=2.699 peak=23 ppm1=10.770 ppm2=7.039
assign ( resid 101 and name H) ( resid 100 and name H) 3.3 0.7 0.7 volume=1.350 peak=595 ppm1=7.195 ppm2=8.890
assign ( resid 91 and name H) ( resid 90 and name HG2) 2.9 0.6 0.6 volume=3.127 peak=120 ppm1=7.015 ppm2=1.958
assign ( resid 98 and name H) ( resid 98 and name HG2) 3.3 0.7 0.7 volume=1.468 peak=463 ppm1=6.519 ppm2=-0.183
assign ( resid 121 and name H) ( resid 121 and name HA) 3.5 0.7 0.7 volume=1.062 peak=273 ppm1=8.079 ppm2=4.423
assign ( resid 72 and name H) ( resid 117 and name HB2) 3.3 0.7 0.7 volume=1.381 peak=288 ppm1=10.279 ppm2=2.407
assign ( resid 5 and name H) ( resid 4 and name HA) 2.7 0.5 0.5 volume=4.357 peak=399 ppm1=8.422 ppm2=4.302
assign ( resid 113 and name H) ( resid 113 and name HA) 3.4 0.7 0.7 volume=1.144 peak=415 ppm1=8.553 ppm2=4.072
assign ( resid 118 and name H) ( resid 117 and name HB2) 3.7 0.7 0.7 volume=0.670 peak=281 ppm1=7.193 ppm2=2.413
assign ( resid 98 and name H) ( resid 100 and name H) 4.0 0.8 0.8 volume=0.473 peak=71 ppm1=6.524 ppm2=8.897
assign ( resid 60 and name H) ( resid 60 and name HD22) 4.0 0.8 0.8 volume=0.418 peak=409 ppm1=9.465 ppm2=6.866
assign ( resid 14 and name HD22) ( resid 14 and name HB2) 3.5 0.7 0.7 volume=1.068 peak=533 ppm1=8.989 ppm2=2.863
assign ( resid 102 and name H) ( resid 101 and name HA2) 3.2 0.6 0.6 volume=1.710 peak=223 ppm1=8.521 ppm2=4.230
assign ( resid 62 and name H) ( resid 59 and name HG2*) 3.9 0.8 0.8 volume=0.527 peak=375 ppm1=7.737 ppm2=1.114
assign ( resid 56 and name H) ( resid 56 and name HB3) 3.7 0.7 0.7 volume=0.747 peak=395 ppm1=8.264 ppm2=1.559
assign ( resid 89 and name HE21) ( resid 89 and name HE22) 3.9 0.8 0.8 volume=0.519 peak=291 ppm1=7.602 ppm2=7.154
assign ( resid 42 and name H) ( resid 12 and name HD1*) 3.7 0.7 0.7 volume=0.768 peak=582 ppm1=7.580 ppm2=0.563
assign ( resid 14 and name H) ( resid 13 and name HG3) 2.9 0.6 0.6 volume=3.429 peak=209 ppm1=7.706 ppm2=2.243
assign ( resid 83 and name H) ( resid 83 and name HA) 4.5 0.9 0.9 volume=0.213 peak=329 ppm1=8.202 ppm2=4.613
assign ( resid 27 and name H) ( resid 27 and name HA) 2.9 0.6 0.6 volume=3.147 peak=254 ppm1=7.637 ppm2=4.469
assign ( resid 29 and name H) ( resid 28 and name H) 4.1 0.8 0.8 volume=0.389 peak=405 ppm1=8.039 ppm2=8.432
assign ( resid 49 and name HD22) ( resid 49 and name HB2) 3.8 0.8 0.8 volume=0.603 peak=690 ppm1=7.236 ppm2=2.663
assign ( resid 91 and name H) ( resid 96 and name HD2*) 4.4 0.9 0.9 volume=0.250 peak=39 ppm1=7.007 ppm2=0.709
assign ( resid 101 and name H) ( resid 97 and name HA) 3.4 0.7 0.7 volume=1.187 peak=211 ppm1=7.198 ppm2=3.739
assign ( resid 64 and name H) ( resid 65 and name HD3) 3.7 0.7 0.7 volume=0.767 peak=707 ppm1=8.124 ppm2=3.877
assign ( resid 80 and name H) ( resid 81 and name HG1*) 3.5 0.7 0.7 volume=0.973 peak=194 ppm1=7.636 ppm2=0.764
assign ( resid 113 and name H) ( resid 112 and name HG1*) 3.2 0.6 0.6 volume=1.598 peak=649 ppm1=8.556 ppm2=0.671
assign ( resid 116 and name H) ( resid 116 and name HD2*) 3.4 0.7 0.7 volume=1.235 peak=84 ppm1=8.630 ppm2=0.371
assign ( resid 88 and name HE1) ( resid 84 and name HE1) 3.7 0.7 0.7 volume=0.691 peak=589 ppm1=10.770 ppm2=7.765
assign ( resid 74 and name H) ( resid 74 and name HA) 4.1 0.8 0.8 volume=0.366 peak=560 ppm1=8.019 ppm2=4.995
assign ( resid 18 and name H) ( resid 17 and name HG2) 3.6 0.7 0.7 volume=0.848 peak=521 ppm1=9.633 ppm2=2.249
assign ( resid 13 and name H) ( resid 12 and name H) 3.6 0.7 0.7 volume=0.907 peak=20 ppm1=9.092 ppm2=9.534
assign ( resid 60 and name H) ( resid 60 and name HD21) 3.8 0.8 0.8 volume=0.659 peak=598 ppm1=9.479 ppm2=7.534
assign ( resid 10 and name H) ( resid 9 and name HA) 3.3 0.7 0.7 volume=1.465 peak=158 ppm1=9.798 ppm2=5.767
assign ( resid 62 and name H) ( resid 62 and name HA) 3.0 0.6 0.6 volume=2.778 peak=44 ppm1=7.732 ppm2=4.526
assign ( resid 98 and name H) ( resid 99 and name H) 3.3 0.7 0.7 volume=1.371 peak=164 ppm1=6.525 ppm2=7.386
assign ( resid 97 and name H) ( resid 97 and name HB3) 3.8 0.8 0.8 volume=0.577 peak=90 ppm1=9.574 ppm2=3.088
assign ( resid 119 and name H) ( resid 120 and name HB) 3.5 0.7 0.7 volume=0.951 peak=33 ppm1=7.342 ppm2=1.452
assign ( resid 32 and name H) ( resid 31 and name HB) 3.3 0.7 0.7 volume=1.546 peak=514 ppm1=8.258 ppm2=1.847
assign ( resid 51 and name H) ( resid 51 and name HA) 3.4 0.7 0.7 volume=1.120 peak=518 ppm1=9.565 ppm2=4.965
assign ( resid 43 and name H) ( resid 128 and name HB) 3.5 0.7 0.7 volume=0.990 peak=376 ppm1=9.145 ppm2=2.433
assign ( resid 80 and name H) ( resid 81 and name HB) 4.6 0.9 0.9 volume=0.188 peak=349 ppm1=7.635 ppm2=1.592
assign ( resid 118 and name H) ( resid 119 and name H) 3.1 0.6 0.6 volume=1.943 peak=715 ppm1=7.199 ppm2=7.349
assign ( resid 37 and name H) ( resid 37 and name HB) 3.9 0.8 0.8 volume=0.510 peak=529 ppm1=7.287 ppm2=4.411
assign ( resid 97 and name HE1) ( resid 98 and name HG2) 4.7 0.9 0.9 volume=0.167 peak=199 ppm1=10.650 ppm2=-0.185
assign ( resid 60 and name H) ( resid 60 and name HB2) 3.1 0.6 0.6 volume=1.926 peak=130 ppm1=9.469 ppm2=3.033
assign ( resid 116 and name H) ( resid 115 and name H) 3.2 0.6 0.6 volume=1.714 peak=447 ppm1=8.631 ppm2=6.753
assign ( resid 19 and name H) ( resid 19 and name HA) 3.8 0.8 0.8 volume=0.641 peak=537 ppm1=9.129 ppm2=5.362
assign ( resid 19 and name H) ( resid 25 and name HB) 3.6 0.7 0.7 volume=0.918 peak=41 ppm1=9.125 ppm2=1.918
assign ( resid 18 and name H) ( resid 18 and name HE3) 4.4 0.9 0.9 volume=0.268 peak=527 ppm1=9.645 ppm2=7.881
assign ( resid 43 and name H) ( resid 42 and name HB*) 3.2 0.6 0.6 volume=1.757 peak=570 ppm1=9.153 ppm2=1.412
assign ( resid 88 and name H) ( resid 87 and name HB2) 3.9 0.8 0.8 volume=0.502 peak=509 ppm1=7.015 ppm2=2.961
assign ( resid 49 and name H) ( resid 49 and name HA) 3.6 0.7 0.7 volume=0.851 peak=714 ppm1=7.397 ppm2=4.673
assign ( resid 73 and name H) ( resid 70 and name HG2*) 3.8 0.8 0.8 volume=0.604 peak=293 ppm1=9.040 ppm2=0.624
assign ( resid 63 and name H) ( resid 60 and name H) 4.2 0.8 0.8 volume=0.318 peak=507 ppm1=8.149 ppm2=9.470
assign ( resid 60 and name HD21) ( resid 60 and name HB2) 3.3 0.7 0.7 volume=1.375 peak=353 ppm1=7.539 ppm2=3.045
assign ( resid 128 and name H) ( resid 128 and name HB) 3.7 0.7 0.7 volume=0.738 peak=677 ppm1=9.067 ppm2=2.429
assign ( resid 93 and name H) ( resid 91 and name HB3) 4.6 0.9 0.9 volume=0.194 peak=572 ppm1=7.960 ppm2=1.944
assign ( resid 32 and name H) ( resid 31 and name HA) 3.6 0.7 0.7 volume=0.841 peak=80 ppm1=8.259 ppm2=5.053
assign ( resid 88 and name HE1) ( resid 89 and name HB3) 4.6 0.9 0.9 volume=0.194 peak=403 ppm1=10.763 ppm2=1.201
assign ( resid 18 and name H) ( resid 18 and name HB2) 4.2 0.8 0.8 volume=0.327 peak=536 ppm1=9.646 ppm2=2.663
assign ( resid 68 and name H) ( resid 67 and name HB2) 3.4 0.7 0.7 volume=1.122 peak=592 ppm1=9.299 ppm2=1.688
assign ( resid 120 and name H) ( resid 119 and name HA) 3.6 0.7 0.7 volume=0.794 peak=208 ppm1=7.326 ppm2=4.451
assign ( resid 19 and name H) ( resid 19 and name HB3) 3.3 0.7 0.7 volume=1.432 peak=28 ppm1=9.125 ppm2=2.567
assign ( resid 45 and name H) ( resid 44 and name HB) 3.8 0.8 0.8 volume=0.629 peak=441 ppm1=9.243 ppm2=1.783
assign ( resid 34 and name H) ( resid 33 and name H) 3.9 0.8 0.8 volume=0.535 peak=104 ppm1=8.145 ppm2=8.607
assign ( resid 92 and name H) ( resid 91 and name HB2) 3.4 0.7 0.7 volume=1.259 peak=152 ppm1=8.625 ppm2=1.644
assign ( resid 129 and name H) ( resid 42 and name HB*) 3.9 0.8 0.8 volume=0.543 peak=336 ppm1=8.816 ppm2=1.419
assign ( resid 99 and name H) ( resid 98 and name HB2) 3.3 0.7 0.7 volume=1.313 peak=348 ppm1=7.389 ppm2=1.437
assign ( resid 28 and name H) ( resid 27 and name HD2*) 3.0 0.6 0.6 volume=2.468 peak=411 ppm1=8.426 ppm2=0.804
assign ( resid 99 and name H) ( resid 98 and name H) 3.5 0.7 0.7 volume=0.958 peak=678 ppm1=7.383 ppm2=6.518
assign ( resid 116 and name H) ( resid 115 and name HG2) 4.0 0.8 0.8 volume=0.478 peak=658 ppm1=8.631 ppm2=2.189
assign ( resid 112 and name H) ( resid 109 and name HB3) 3.3 0.7 0.7 volume=1.359 peak=464 ppm1=6.706 ppm2=1.345
assign ( resid 13 and name H) ( resid 12 and name HD1*) 3.5 0.7 0.7 volume=0.938 peak=733 ppm1=9.096 ppm2=0.552
assign ( resid 10 and name H) ( resid 129 and name H) 4.8 1.0 1.0 volume=0.159 peak=755 ppm1=9.798 ppm2=8.811
assign ( resid 26 and name H) ( resid 26 and name HB*) 3.1 0.6 0.6 volume=1.986 peak=226 ppm1=9.285 ppm2=1.253
assign ( resid 108 and name H) ( resid 31 and name HG2*) 3.4 0.7 0.7 volume=1.135 peak=65 ppm1=8.150 ppm2=0.611
assign ( resid 52 and name H) ( resid 52 and name HB2) 2.6 0.5 0.5 volume=5.912 peak=772 ppm1=8.693 ppm2=1.908
assign ( resid 56 and name H) ( resid 55 and name HG2*) 3.3 0.7 0.7 volume=1.475 peak=262 ppm1=8.258 ppm2=0.817
assign ( resid 15 and name H) ( resid 13 and name H) 4.0 0.8 0.8 volume=0.481 peak=317 ppm1=8.042 ppm2=9.075
assign ( resid 25 and name H) ( resid 20 and name HE*) 4.5 0.9 0.9 volume=0.226 peak=346 ppm1=8.680 ppm2=6.376
assign ( resid 119 and name H) ( resid 118 and name HA3) 3.3 0.7 0.7 volume=1.461 peak=628 ppm1=7.345 ppm2=3.933
assign ( resid 96 and name H) ( resid 96 and name HB2) 3.4 0.7 0.7 volume=1.277 peak=580 ppm1=7.949 ppm2=1.120
assign ( resid 59 and name H) ( resid 58 and name H) 4.1 0.8 0.8 volume=0.397 peak=433 ppm1=8.679 ppm2=6.502
assign ( resid 85 and name H) ( resid 116 and name HB3) 4.8 1.0 1.0 volume=0.151 peak=339 ppm1=10.292 ppm2=1.199
assign ( resid 8 and name H) ( resid 8 and name HG2*) 3.3 0.7 0.7 volume=1.467 peak=466 ppm1=9.216 ppm2=0.843
assign ( resid 115 and name H) ( resid 114 and name H) 3.4 0.7 0.7 volume=1.152 peak=87 ppm1=6.758 ppm2=7.487
assign ( resid 51 and name H) ( resid 52 and name H) 4.0 0.8 0.8 volume=0.476 peak=8 ppm1=9.569 ppm2=8.693
assign ( resid 119 and name H) ( resid 119 and name HG3) 3.2 0.6 0.6 volume=1.802 peak=388 ppm1=7.347 ppm2=2.557
assign ( resid 54 and name H) ( resid 53 and name HB2) 3.5 0.7 0.7 volume=1.024 peak=4 ppm1=7.085 ppm2=2.602
assign ( resid 89 and name HE21) ( resid 100 and name HB3) 4.5 0.9 0.9 volume=0.230 peak=100 ppm1=7.608 ppm2=1.495
assign ( resid 85 and name H) ( resid 114 and name H) 4.5 0.9 0.9 volume=0.215 peak=667 ppm1=10.278 ppm2=7.509
assign ( resid 3 and name H) ( resid 3 and name HA) 3.5 0.7 0.7 volume=1.013 peak=286 ppm1=8.407 ppm2=4.330
assign ( resid 123 and name H) ( resid 124 and name H) 3.9 0.8 0.8 volume=0.496 peak=62 ppm1=9.496 ppm2=7.365
assign ( resid 71 and name HD21) ( resid 71 and name HD22) 2.3 0.5 0.5 volume=11.161 peak=294 ppm1=7.439 ppm2=6.918
assign ( resid 121 and name H) ( resid 122 and name H) 4.6 0.9 0.9 volume=0.185 peak=422 ppm1=8.079 ppm2=9.174
assign ( resid 115 and name H) ( resid 116 and name HG) 3.4 0.7 0.7 volume=1.272 peak=61 ppm1=6.759 ppm2=1.148
assign ( resid 87 and name H) ( resid 86 and name HB2) 4.0 0.8 0.8 volume=0.419 peak=662 ppm1=9.669 ppm2=2.199
assign ( resid 71 and name HD22) ( resid 70 and name HA) 4.2 0.8 0.8 volume=0.353 peak=555 ppm1=6.916 ppm2=4.746
assign ( resid 119 and name H) ( resid 119 and name HA) 3.2 0.6 0.6 volume=1.833 peak=73 ppm1=7.345 ppm2=4.450
assign ( resid 95 and name H) ( resid 96 and name HG) 3.6 0.7 0.7 volume=0.828 peak=344 ppm1=8.527 ppm2=1.714
assign ( resid 8 and name H) ( resid 7 and name HB2) 3.7 0.7 0.7 volume=0.720 peak=69 ppm1=9.219 ppm2=2.714
assign ( resid 115 and name H) ( resid 114 and name HB3) 2.9 0.6 0.6 volume=2.837 peak=737 ppm1=6.761 ppm2=1.750
assign ( resid 111 and name H) ( resid 111 and name HB3) 3.8 0.8 0.8 volume=0.626 peak=604 ppm1=8.909 ppm2=4.117
assign ( resid 71 and name HD21) ( resid 71 and name HB3) 3.3 0.7 0.7 volume=1.311 peak=304 ppm1=7.435 ppm2=2.384
assign ( resid 13 and name H) ( resid 11 and name HB3) 4.0 0.8 0.8 volume=0.448 peak=728 ppm1=9.105 ppm2=2.832
assign ( resid 55 and name H) ( resid 54 and name HB*) 2.8 0.6 0.6 volume=4.135 peak=204 ppm1=8.446 ppm2=0.945
assign ( resid 22 and name H) ( resid 22 and name HA) 3.0 0.6 0.6 volume=2.437 peak=53 ppm1=8.649 ppm2=4.175
assign ( resid 9 and name H) ( resid 8 and name HA) 3.3 0.7 0.7 volume=1.548 peak=474 ppm1=9.753 ppm2=5.299
assign ( resid 99 and name H) ( resid 98 and name HG2) 4.7 0.9 0.9 volume=0.169 peak=445 ppm1=7.389 ppm2=-0.185
assign ( resid 119 and name H) ( resid 116 and name HA) 4.2 0.8 0.8 volume=0.322 peak=503 ppm1=7.346 ppm2=3.567
assign ( resid 13 and name H) ( resid 14 and name HB2) 3.9 0.8 0.8 volume=0.550 peak=397 ppm1=9.087 ppm2=2.862
assign ( resid 27 and name H) ( resid 25 and name HA) 3.3 0.7 0.7 volume=1.434 peak=656 ppm1=7.640 ppm2=3.254
assign ( resid 71 and name HD21) ( resid 71 and name HB2) 3.5 0.7 0.7 volume=1.038 peak=148 ppm1=7.434 ppm2=1.734
assign ( resid 63 and name H) ( resid 62 and name H) 3.0 0.6 0.6 volume=2.667 peak=318 ppm1=8.157 ppm2=7.736
assign ( resid 15 and name H) ( resid 12 and name H) 4.5 0.9 0.9 volume=0.221 peak=488 ppm1=8.036 ppm2=9.557
assign ( resid 112 and name H) ( resid 112 and name HG2*) 2.9 0.6 0.6 volume=3.191 peak=496 ppm1=6.709 ppm2=0.867
assign ( resid 14 and name HD22) ( resid 14 and name HD21) 2.8 0.6 0.6 volume=3.748 peak=57 ppm1=8.990 ppm2=7.065
assign ( resid 98 and name H) ( resid 98 and name HB3) 3.0 0.6 0.6 volume=2.421 peak=735 ppm1=6.524 ppm2=1.411
assign ( resid 92 and name H) ( resid 93 and name H) 4.0 0.8 0.8 volume=0.435 peak=301 ppm1=8.620 ppm2=7.955
assign ( resid 56 and name H) ( resid 56 and name HD2*) 3.5 0.7 0.7 volume=0.939 peak=652 ppm1=8.252 ppm2=-0.599
assign ( resid 38 and name H) ( resid 38 and name HA) 3.2 0.6 0.6 volume=1.617 peak=18 ppm1=7.699 ppm2=4.567
assign ( resid 118 and name H) ( resid 116 and name H) 4.7 0.9 0.9 volume=0.167 peak=153 ppm1=7.192 ppm2=8.643
assign ( resid 101 and name H) ( resid 100 and name HA) 3.4 0.7 0.7 volume=1.264 peak=567 ppm1=7.195 ppm2=4.778
assign ( resid 80 and name H) ( resid 80 and name HA2) 3.3 0.7 0.7 volume=1.499 peak=212 ppm1=7.644 ppm2=4.757
assign ( resid 99 and name H) ( resid 99 and name HA) 3.4 0.7 0.7 volume=1.123 peak=666 ppm1=7.392 ppm2=4.476
assign ( resid 70 and name H) ( resid 70 and name HG1*) 3.3 0.7 0.7 volume=1.332 peak=175 ppm1=8.646 ppm2=0.995
assign ( resid 129 and name H) ( resid 129 and name HB2) 3.8 0.8 0.8 volume=0.566 peak=265 ppm1=8.808 ppm2=3.169
assign ( resid 51 and name H) ( resid 51 and name HB3) 3.3 0.7 0.7 volume=1.308 peak=169 ppm1=9.563 ppm2=2.032
assign ( resid 120 and name H) ( resid 120 and name HB) 2.9 0.6 0.6 volume=2.814 peak=352 ppm1=7.325 ppm2=1.453
assign ( resid 82 and name H) ( resid 81 and name HG2*) 3.2 0.6 0.6 volume=1.803 peak=391 ppm1=6.936 ppm2=0.593
assign ( resid 119 and name H) ( resid 119 and name HE*) 3.0 0.6 0.6 volume=2.380 peak=253 ppm1=7.345 ppm2=2.087
assign ( resid 71 and name H) ( resid 71 and name HA) 3.6 0.7 0.7 volume=0.897 peak=219 ppm1=10.487 ppm2=4.321
assign ( resid 31 and name H) ( resid 30 and name HA) 3.5 0.7 0.7 volume=1.040 peak=306 ppm1=7.629 ppm2=5.345
assign ( resid 101 and name H) ( resid 100 and name HB3) 3.4 0.7 0.7 volume=1.261 peak=133 ppm1=7.200 ppm2=1.492
assign ( resid 74 and name H) ( resid 73 and name HA) 3.4 0.7 0.7 volume=1.184 peak=160 ppm1=8.014 ppm2=5.689
assign ( resid 119 and name H) ( resid 117 and name H) 4.2 0.8 0.8 volume=0.316 peak=458 ppm1=7.351 ppm2=8.820
assign ( resid 13 and name H) ( resid 12 and name HG) 3.9 0.8 0.8 volume=0.533 peak=766 ppm1=9.098 ppm2=1.445
assign ( resid 70 and name H) ( resid 71 and name H) 4.2 0.8 0.8 volume=0.317 peak=495 ppm1=8.643 ppm2=10.486
assign ( resid 54 and name H) ( resid 53 and name HA) 2.7 0.5 0.5 volume=4.685 peak=576 ppm1=7.088 ppm2=4.417
assign ( resid 122 and name H) ( resid 121 and name HG3) 4.4 0.9 0.9 volume=0.260 peak=314 ppm1=9.198 ppm2=2.376
assign ( resid 42 and name H) ( resid 42 and name HB*) 2.7 0.5 0.5 volume=5.054 peak=654 ppm1=7.582 ppm2=1.414
assign ( resid 118 and name H) ( resid 116 and name HB2) 4.3 0.9 0.9 volume=0.274 peak=233 ppm1=7.191 ppm2=1.762
assign ( resid 59 and name H) ( resid 59 and name HA) 3.1 0.6 0.6 volume=1.942 peak=400 ppm1=8.667 ppm2=4.763
assign ( resid 13 and name H) ( resid 13 and name HA) 3.1 0.6 0.6 volume=2.220 peak=392 ppm1=9.095 ppm2=3.979
assign ( resid 127 and name H) ( resid 10 and name H) 4.0 0.8 0.8 volume=0.479 peak=320 ppm1=9.593 ppm2=9.799
assign ( resid 26 and name H) ( resid 25 and name HA) 3.2 0.6 0.6 volume=1.560 peak=431 ppm1=9.294 ppm2=3.251
assign ( resid 14 and name HD21) ( resid 14 and name HB2) 3.5 0.7 0.7 volume=1.076 peak=321 ppm1=7.064 ppm2=2.862
assign ( resid 99 and name H) ( resid 98 and name HA) 3.8 0.8 0.8 volume=0.608 peak=16 ppm1=7.391 ppm2=3.101
assign ( resid 49 and name H) ( resid 48 and name H) 3.8 0.8 0.8 volume=0.600 peak=615 ppm1=7.393 ppm2=8.331
assign ( resid 22 and name H) ( resid 6 and name HA) 4.4 0.9 0.9 volume=0.258 peak=498 ppm1=8.649 ppm2=5.222
assign ( resid 120 and name H) ( resid 121 and name H) 4.0 0.8 0.8 volume=0.478 peak=196 ppm1=7.330 ppm2=8.086
assign ( resid 18 and name HE1) ( resid 18 and name HD1) 3.0 0.6 0.6 volume=2.751 peak=237 ppm1=10.290 ppm2=6.964
assign ( resid 34 and name H) ( resid 33 and name HA) 3.9 0.8 0.8 volume=0.535 peak=581 ppm1=8.138 ppm2=4.802
assign ( resid 16 and name H) ( resid 15 and name HA) 3.2 0.6 0.6 volume=1.733 peak=205 ppm1=8.060 ppm2=3.364
assign ( resid 22 and name H) ( resid 23 and name H) 4.3 0.9 0.9 volume=0.303 peak=214 ppm1=8.653 ppm2=8.832
assign ( resid 23 and name H) ( resid 21 and name HA) 4.4 0.9 0.9 volume=0.261 peak=138 ppm1=8.835 ppm2=4.519
assign ( resid 108 and name H) ( resid 108 and name HG2*) 3.4 0.7 0.7 volume=1.273 peak=383 ppm1=8.153 ppm2=0.750
assign ( resid 14 and name H) ( resid 14 and name HD21) 3.6 0.7 0.7 volume=0.833 peak=613 ppm1=7.701 ppm2=7.063
assign ( resid 37 and name H) ( resid 36 and name HB3) 3.9 0.8 0.8 volume=0.515 peak=611 ppm1=7.287 ppm2=1.992
assign ( resid 11 and name H) ( resid 17 and name HA) 4.5 0.9 0.9 volume=0.219 peak=26 ppm1=8.621 ppm2=5.631
assign ( resid 38 and name H) ( resid 38 and name HG2*) 3.0 0.6 0.6 volume=2.512 peak=486 ppm1=7.702 ppm2=1.134
assign ( resid 9 and name H) ( resid 8 and name HG2*) 3.1 0.6 0.6 volume=1.882 peak=647 ppm1=9.752 ppm2=0.860
assign ( resid 89 and name H) ( resid 88 and name HA) 4.2 0.8 0.8 volume=0.345 peak=111 ppm1=7.155 ppm2=4.632
assign ( resid 9 and name H) ( resid 43 and name H) 4.6 0.9 0.9 volume=0.192 peak=372 ppm1=9.748 ppm2=9.175
assign ( resid 71 and name H) ( resid 71 and name HD21) 4.2 0.8 0.8 volume=0.359 peak=59 ppm1=10.479 ppm2=7.445
assign ( resid 92 and name H) ( resid 91 and name HA) 2.8 0.6 0.6 volume=3.722 peak=394 ppm1=8.625 ppm2=4.537
assign ( resid 122 and name H) ( resid 121 and name HB3) 3.5 0.7 0.7 volume=1.005 peak=444 ppm1=9.201 ppm2=2.075
assign ( resid 82 and name H) ( resid 76 and name HG2*) 3.7 0.7 0.7 volume=0.672 peak=149 ppm1=6.935 ppm2=0.655
assign ( resid 89 and name HE21) ( resid 91 and name HB2) 4.3 0.9 0.9 volume=0.285 peak=79 ppm1=7.607 ppm2=1.636
assign ( resid 7 and name H) ( resid 6 and name H) 3.8 0.8 0.8 volume=0.610 peak=619 ppm1=8.629 ppm2=7.703
assign ( resid 64 and name H) ( resid 63 and name HA3) 3.2 0.6 0.6 volume=1.879 peak=769 ppm1=8.118 ppm2=4.345
assign ( resid 34 and name H) ( resid 33 and name HG) 4.9 1.0 1.0 volume=0.138 peak=297 ppm1=8.136 ppm2=5.908
assign ( resid 11 and name H) ( resid 11 and name HB3) 3.5 0.7 0.7 volume=1.058 peak=220 ppm1=8.625 ppm2=2.857
assign ( resid 17 and name H) ( resid 17 and name HA) 4.0 0.8 0.8 volume=0.480 peak=311 ppm1=8.300 ppm2=5.635
assign ( resid 26 and name H) ( resid 25 and name HB) 3.6 0.7 0.7 volume=0.847 peak=236 ppm1=9.283 ppm2=1.919
assign ( resid 55 and name H) ( resid 56 and name H) 3.4 0.7 0.7 volume=1.227 peak=66 ppm1=8.444 ppm2=8.273
assign ( resid 12 and name H) ( resid 12 and name HG) 3.5 0.7 0.7 volume=0.988 peak=535 ppm1=9.538 ppm2=1.441
assign ( resid 122 and name H) ( resid 121 and name HA) 3.1 0.6 0.6 volume=2.107 peak=440 ppm1=9.204 ppm2=4.421
assign ( resid 25 and name H) ( resid 24 and name H) 3.5 0.7 0.7 volume=1.057 peak=163 ppm1=8.684 ppm2=7.605
assign ( resid 43 and name H) ( resid 43 and name HA3) 3.6 0.7 0.7 volume=0.856 peak=271 ppm1=9.155 ppm2=4.032
assign ( resid 57 and name H) ( resid 56 and name HA) 3.0 0.6 0.6 volume=2.724 peak=361 ppm1=7.984 ppm2=4.042
assign ( resid 32 and name H) ( resid 106 and name HG2*) 3.1 0.6 0.6 volume=2.167 peak=186 ppm1=8.260 ppm2=0.616
assign ( resid 105 and name H) ( resid 104 and name HA3) 4.2 0.8 0.8 volume=0.321 peak=9 ppm1=7.730 ppm2=3.201
assign ( resid 31 and name H) ( resid 30 and name HB2) 3.3 0.7 0.7 volume=1.441 peak=302 ppm1=7.630 ppm2=2.572
assign ( resid 91 and name H) ( resid 96 and name HD1*) 3.7 0.7 0.7 volume=0.674 peak=60 ppm1=7.010 ppm2=0.613
assign ( resid 26 and name H) ( resid 25 and name HG2*) 3.3 0.7 0.7 volume=1.333 peak=179 ppm1=9.280 ppm2=0.801
assign ( resid 16 and name H) ( resid 10 and name HG1*) 3.3 0.7 0.7 volume=1.309 peak=546 ppm1=8.065 ppm2=0.607
assign ( resid 59 and name H) ( resid 58 and name HA2) 3.2 0.6 0.6 volume=1.777 peak=328 ppm1=8.668 ppm2=3.289
assign ( resid 14 and name HD21) ( resid 14 and name H) 4.0 0.8 0.8 volume=0.484 peak=607 ppm1=7.078 ppm2=7.706
assign ( resid 93 and name H) ( resid 31 and name HG13) 4.5 0.9 0.9 volume=0.214 peak=413 ppm1=7.959 ppm2=0.464
assign ( resid 115 and name H) ( resid 116 and name H) 3.3 0.7 0.7 volume=1.545 peak=456 ppm1=6.754 ppm2=8.635
assign ( resid 95 and name H) ( resid 96 and name HD1*) 4.3 0.9 0.9 volume=0.296 peak=322 ppm1=8.531 ppm2=0.617
assign ( resid 18 and name HE1) ( resid 16 and name HD2) 3.6 0.7 0.7 volume=0.866 peak=726 ppm1=10.295 ppm2=4.410
assign ( resid 10 and name H) ( resid 127 and name H) 4.4 0.9 0.9 volume=0.249 peak=370 ppm1=9.795 ppm2=9.595
assign ( resid 70 and name H) ( resid 70 and name HG2*) 3.2 0.6 0.6 volume=1.867 peak=188 ppm1=8.640 ppm2=0.616
assign ( resid 25 and name H) ( resid 24 and name HA) 2.6 0.5 0.5 volume=5.541 peak=184 ppm1=8.688 ppm2=4.758
assign ( resid 53 and name H) ( resid 54 and name H) 3.4 0.7 0.7 volume=1.292 peak=457 ppm1=8.347 ppm2=7.094
assign ( resid 124 and name H) ( resid 123 and name HA2) 3.6 0.7 0.7 volume=0.853 peak=664 ppm1=7.371 ppm2=4.259
assign ( resid 95 and name H) ( resid 95 and name HB3) 3.3 0.7 0.7 volume=1.399 peak=760 ppm1=8.530 ppm2=2.579
assign ( resid 71 and name H) ( resid 70 and name HG2*) 3.8 0.8 0.8 volume=0.570 peak=739 ppm1=10.488 ppm2=0.611
assign ( resid 89 and name HE22) ( resid 91 and name HB2) 3.7 0.7 0.7 volume=0.698 peak=579 ppm1=7.153 ppm2=1.641
assign ( resid 63 and name H) ( resid 62 and name HB2) 3.5 0.7 0.7 volume=0.950 peak=315 ppm1=8.160 ppm2=2.622
assign ( resid 129 and name H) ( resid 129 and name HA) 3.6 0.7 0.7 volume=0.855 peak=38 ppm1=8.803 ppm2=4.789
assign ( resid 114 and name H) ( resid 115 and name HG3) 4.2 0.8 0.8 volume=0.355 peak=56 ppm1=7.493 ppm2=2.351
assign ( resid 11 and name H) ( resid 10 and name HG1*) 3.1 0.6 0.6 volume=2.264 peak=263 ppm1=8.618 ppm2=0.614
assign ( resid 33 and name H) ( resid 31 and name HD1*) 3.3 0.7 0.7 volume=1.309 peak=673 ppm1=8.616 ppm2=0.426
assign ( resid 8 and name H) ( resid 8 and name HB) 3.4 0.7 0.7 volume=1.093 peak=603 ppm1=9.213 ppm2=1.891
assign ( resid 123 and name H) ( resid 122 and name HB3) 3.6 0.7 0.7 volume=0.809 peak=565 ppm1=9.504 ppm2=1.684
assign ( resid 31 and name H) ( resid 108 and name HA) 3.5 0.7 0.7 volume=1.017 peak=95 ppm1=7.624 ppm2=4.425
assign ( resid 89 and name H) ( resid 88 and name HB2) 4.3 0.9 0.9 volume=0.276 peak=29 ppm1=7.155 ppm2=3.446
assign ( resid 18 and name H) ( resid 17 and name HA) 3.4 0.7 0.7 volume=1.139 peak=52 ppm1=9.640 ppm2=5.628
assign ( resid 64 and name H) ( resid 62 and name H) 3.7 0.7 0.7 volume=0.714 peak=185 ppm1=8.114 ppm2=7.732
assign ( resid 80 and name H) ( resid 80 and name HA3) 3.3 0.7 0.7 volume=1.343 peak=290 ppm1=7.642 ppm2=3.835
assign ( resid 113 and name H) ( resid 114 and name H) 3.7 0.7 0.7 volume=0.664 peak=137 ppm1=8.559 ppm2=7.482
assign ( resid 93 and name H) ( resid 100 and name HB2) 3.5 0.7 0.7 volume=0.934 peak=283 ppm1=7.961 ppm2=2.274
assign ( resid 14 and name HD22) ( resid 13 and name HG3) 3.3 0.7 0.7 volume=1.350 peak=295 ppm1=8.995 ppm2=2.259
assign ( resid 29 and name H) ( resid 16 and name HE1) 3.9 0.8 0.8 volume=0.525 peak=1 ppm1=8.043 ppm2=8.352
assign ( resid 101 and name H) ( resid 98 and name H) 4.7 0.9 0.9 volume=0.176 peak=278 ppm1=7.202 ppm2=6.497
assign ( resid 87 and name H) ( resid 88 and name H) 3.4 0.7 0.7 volume=1.255 peak=310 ppm1=9.671 ppm2=7.003
assign ( resid 88 and name H) ( resid 87 and name HA) 3.8 0.8 0.8 volume=0.608 peak=207 ppm1=7.003 ppm2=4.183
assign ( resid 113 and name H) ( resid 113 and name HB3) 3.4 0.7 0.7 volume=1.241 peak=13 ppm1=8.556 ppm2=1.363
assign ( resid 93 and name H) ( resid 32 and name HG2*) 3.4 0.7 0.7 volume=1.108 peak=225 ppm1=7.966 ppm2=1.003
assign ( resid 82 and name H) ( resid 76 and name HD1*) 4.7 0.9 0.9 volume=0.167 peak=386 ppm1=6.934 ppm2=0.166
assign ( resid 17 and name H) ( resid 10 and name HG1*) 3.1 0.6 0.6 volume=2.011 peak=625 ppm1=8.297 ppm2=0.592
assign ( resid 99 and name H) ( resid 99 and name HG2*) 3.2 0.6 0.6 volume=1.626 peak=703 ppm1=7.386 ppm2=1.082
assign ( resid 30 and name H) ( resid 29 and name HA) 2.9 0.6 0.6 volume=3.054 peak=19 ppm1=8.385 ppm2=4.337
assign ( resid 118 and name H) ( resid 117 and name H) 3.6 0.7 0.7 volume=0.898 peak=246 ppm1=7.194 ppm2=8.817
assign ( resid 15 and name H) ( resid 15 and name HA) 3.2 0.6 0.6 volume=1.742 peak=222 ppm1=8.037 ppm2=3.371
assign ( resid 85 and name H) ( resid 70 and name HG2*) 3.6 0.7 0.7 volume=0.785 peak=460 ppm1=10.287 ppm2=0.610
assign ( resid 53 and name H) ( resid 52 and name H) 4.2 0.8 0.8 volume=0.357 peak=696 ppm1=8.346 ppm2=8.693
assign ( resid 27 and name H) ( resid 26 and name HB*) 2.9 0.6 0.6 volume=3.185 peak=22 ppm1=7.640 ppm2=1.252
assign ( resid 97 and name HE1) ( resid 95 and name HB2) 3.3 0.7 0.7 volume=1.375 peak=312 ppm1=10.655 ppm2=2.722
assign ( resid 58 and name H) ( resid 59 and name HG2*) 3.5 0.7 0.7 volume=0.983 peak=522 ppm1=6.484 ppm2=1.119
assign ( resid 18 and name HE1) ( resid 18 and name HZ2) 3.0 0.6 0.6 volume=2.489 peak=307 ppm1=10.287 ppm2=7.458
assign ( resid 71 and name HD22) ( resid 71 and name HB2) 3.6 0.7 0.7 volume=0.846 peak=146 ppm1=6.913 ppm2=1.735

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