NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
552365 |
2ksy   |
16678 | cing | 1-original | 2 | XPLOR/CNS | distance | NOE | ambi |
assign ( resid 198 and name HA
)
( resid 197 and name HB
or resid 198 and name HB
) 3.9 0.8 0.8 volume=0.290 peak=347 ppm1=4.173 ppm2=2.330
assign ( resid 203 and name HA
)
( resid 207 and name H
) 4.0 0.8 0.8 volume=0.246 peak=348 ppm1=3.590 ppm2=9.117
assign ( resid 53 and name HG1#
or resid 203 and name HG1#
)
( resid 53 and name H
or resid 203 and name H
) 3.1 0.6 0.6 volume=3.551 peak=349 ppm1=0.978 ppm2=8.400
assign ( resid 53 and name HB
or resid 203 and name HB
)
( resid 53 and name H
or resid 203 and name H
) 3.4 0.7 0.7 volume=0.656 peak=350 ppm1=2.294 ppm2=8.401
assign ( resid 203 and name HG2#
)
( resid 204 and name H
) 4.7 0.9 0.9 volume=0.295 peak=351 ppm1=1.065 ppm2=9.399
assign ( resid 203 and name HG1#
)
( resid 204 and name H
) 4.9 1.0 1.0 volume=0.243 peak=352 ppm1=0.969 ppm2=9.386
assign ( resid 168 and name HG1#
or resid 203 and name HG2#
)
( resid 164 and name HD3
or resid 203 and name HA
or resid 207 and name HA2
) 3.5 0.7 0.7 volume=1.869 peak=353 ppm1=1.070 ppm2=3.574
assign ( resid 106 and name HA
or resid 206 and name HA
)
( resid 77 and name HG2#
or resid 206 and name HG1#
) 3.9 0.8 0.8 volume=0.989 peak=354 ppm1=4.264 ppm2=1.004
assign ( resid 6 and name HA
or resid 206 and name HA
)
( resid 6 and name HG2#
or resid 206 and name HG2#
) 3.8 0.8 0.8 volume=1.010 peak=355 ppm1=4.272 ppm2=1.415
assign ( resid 206 and name HB
)
( resid 206 and name H
) 4.0 0.8 0.8 volume=0.267 peak=356 ppm1=2.628 ppm2=7.824
assign ( resid 206 and name HB
)
( resid 207 and name H
) 4.3 0.9 0.9 volume=0.175 peak=357 ppm1=2.630 ppm2=9.115
assign ( resid 70 and name HG1#
or resid 206 and name HG2#
)
( resid 61 and name H
or resid 207 and name H
or resid 210 and name H
) 4.7 0.9 0.9 volume=0.297 peak=358 ppm1=1.397 ppm2=9.144
assign ( resid 206 and name HG1#
)
( resid 207 and name H
) 4.0 0.8 0.8 volume=0.756 peak=359 ppm1=1.018 ppm2=9.122
assign ( resid 206 and name HG2#
)
( resid 206 and name H
) 4.0 0.8 0.8 volume=0.808 peak=360 ppm1=1.404 ppm2=7.845
assign ( resid 230 and name HA
)
( resid 231 and name H
) 3.0 0.6 0.6 volume=1.549 peak=361 ppm1=4.346 ppm2=8.500
assign ( resid 230 and name HA
)
( resid 230 and name H
) 3.5 0.7 0.7 volume=0.580 peak=362 ppm1=4.346 ppm2=7.935
assign ( resid 2 and name HB
or resid 230 and name HB
)
( resid 2 and name HA
or resid 230 and name HA
) 2.8 0.6 0.6 volume=2.024 peak=363 ppm1=2.273 ppm2=4.337
assign ( resid 2 and name HA
)
( resid 3 and name H
) 3.5 0.7 0.7 volume=0.594 peak=364 ppm1=4.335 ppm2=8.605
assign ( resid 2 and name HB
)
( resid 2 and name H
) 3.0 0.6 0.6 volume=1.403 peak=365 ppm1=2.268 ppm2=8.067
assign ( resid 177 and name HD1#
)
( resid 177 and name HB
) 3.6 0.7 0.7 volume=1.609 peak=366 ppm1=0.759 ppm2=2.229
assign ( resid 177 and name HD1#
)
( resid 177 and name HG12
or resid 197 and name HG12
or resid 200 and name HB3
) 3.3 0.7 0.7 volume=2.571 peak=367 ppm1=0.757 ppm2=1.603
assign ( resid 177 and name HD1#
)
( resid 177 and name HG13
or resid 196 and name HB3
) 3.3 0.7 0.7 volume=2.725 peak=368 ppm1=0.758 ppm2=1.382
assign ( resid 177 and name HD1#
)
( resid 177 and name HG2#
) 3.7 0.7 0.7 volume=3.870 peak=369 ppm1=0.760 ppm2=1.188
assign ( resid 100 and name HD1#
)
( resid 100 and name HG12
or resid 100 and name HB
) 2.9 0.6 0.6 volume=5.746 peak=370 ppm1=1.079 ppm2=1.966
assign ( resid 100 and name HD1#
)
( resid 97 and name HG2
) 4.2 0.8 0.8 volume=0.549 peak=371 ppm1=1.076 ppm2=2.680
assign ( resid 100 and name HD1#
)
( resid 97 and name HG3
) 3.9 0.8 0.8 volume=0.980 peak=372 ppm1=1.077 ppm2=2.515
assign ( resid 100 and name HD1#
)
( resid 97 and name HA
) 3.5 0.7 0.7 volume=1.904 peak=373 ppm1=1.079 ppm2=4.221
assign ( resid 100 and name HD1#
)
( resid 100 and name HA
) 3.6 0.7 0.7 volume=1.574 peak=374 ppm1=1.079 ppm2=3.746
assign ( resid 185 and name HG1#
)
( resid 185 and name HB
) 2.9 0.6 0.6 volume=4.977 peak=375 ppm1=1.228 ppm2=2.549
assign ( resid 25 and name HB#
)
( resid 25 and name HA
) 3.1 0.6 0.6 volume=3.795 peak=376 ppm1=1.887 ppm2=4.064
assign ( resid 100 and name HG2#
)
( resid 97 and name HA
) 4.1 0.8 0.8 volume=0.718 peak=377 ppm1=0.716 ppm2=4.226
assign ( resid 25 and name HB#
)
( resid 26 and name H
) 3.7 0.7 0.7 volume=1.295 peak=378 ppm1=1.890 ppm2=7.817
assign ( resid 25 and name HB#
)
( resid 37 and name HD#
) 4.2 0.8 0.8 volume=1.165 peak=379 ppm1=1.888 ppm2=7.350
assign ( resid 25 and name HB#
)
( resid 37 and name HE#
) 4.0 0.8 0.8 volume=1.521 peak=380 ppm1=1.888 ppm2=6.862
assign ( resid 12 and name HB#
)
( resid 12 and name HA
or resid 48 and name HA
) 3.5 0.7 0.7 volume=1.701 peak=381 ppm1=1.810 ppm2=4.227
assign ( resid 12 and name HB#
)
( resid 52 and name H
) 4.1 0.8 0.8 volume=0.716 peak=382 ppm1=1.812 ppm2=8.325
assign ( resid 12 and name HB#
)
( resid 12 and name H
or resid 15 and name H
) 3.6 0.7 0.7 volume=1.421 peak=383 ppm1=1.809 ppm2=8.551
assign ( resid 12 and name HB#
)
( resid 13 and name H
or resid 16 and name H
or resid 51 and name H
) 3.9 0.8 0.8 volume=0.966 peak=384 ppm1=1.808 ppm2=8.986
assign ( resid 116 and name HB#
)
( resid 116 and name H
) 3.5 0.7 0.7 volume=1.640 peak=385 ppm1=1.608 ppm2=7.956
assign ( resid 91 and name HB#
)
( resid 90 and name HB3
or resid 145 and name HG2
or resid 145 and name HG3
) 4.0 0.8 0.8 volume=0.765 peak=386 ppm1=1.212 ppm2=2.512
assign ( resid 5 and name HG2#
)
( resid 8 and name H
or resid 57 and name H
) 4.2 0.8 0.8 volume=0.619 peak=387 ppm1=1.908 ppm2=8.178
assign ( resid 5 and name HG2#
)
( resid 9 and name HD1
) 3.8 0.8 0.8 volume=1.024 peak=388 ppm1=1.909 ppm2=7.326
assign ( resid 114 and name HB#
)
( resid 114 and name H
) 3.4 0.7 0.7 volume=2.149 peak=389 ppm1=1.418 ppm2=8.882
assign ( resid 131 and name HB#
)
( resid 129 and name H
or resid 130 and name H
or resid 132 and name H
) 3.5 0.7 0.7 volume=1.878 peak=390 ppm1=1.213 ppm2=8.066
assign ( resid 221 and name HB#
)
( resid 222 and name H
) 3.3 0.7 0.7 volume=2.674 peak=391 ppm1=1.637 ppm2=8.102
assign ( resid 131 and name HB#
)
( resid 128 and name HA2
or resid 132 and name HA
) 3.9 0.8 0.8 volume=0.957 peak=392 ppm1=1.213 ppm2=3.698
assign ( resid 131 and name HB#
)
( resid 128 and name HA3
) 3.8 0.8 0.8 volume=1.112 peak=393 ppm1=1.213 ppm2=3.547
assign ( resid 121 and name HG2#
)
( resid 120 and name HA2
or resid 121 and name HA
) 3.3 0.7 0.7 volume=2.502 peak=394 ppm1=1.294 ppm2=4.279
assign ( resid 149 and name HB#
or resid 156 and name HG2#
)
( resid 151 and name H
or resid 152 and name H
or resid 156 and name H
) 3.7 0.7 0.7 volume=1.199 peak=395 ppm1=1.084 ppm2=7.572
assign ( resid 114 and name HB#
)
( resid 113 and name H
) 4.6 0.9 0.9 volume=0.362 peak=396 ppm1=1.418 ppm2=8.132
assign ( resid 212 and name HB#
)
( resid 212 and name HA
or resid 213 and name HA
) 3.4 0.7 0.7 volume=2.170 peak=397 ppm1=1.455 ppm2=4.144
assign ( resid 212 and name HB#
)
( resid 86 and name HE#
or resid 208 and name HD#
) 4.2 0.8 0.8 volume=1.113 peak=398 ppm1=1.454 ppm2=6.988
assign ( resid 195 and name HB#
or resid 228 and name HB#
or resid 236 and name HB#
)
( resid 195 and name H
or resid 227 and name H
or resid 229 and name H
or resid 236 and name H
) 3.2 0.6 0.6 volume=3.053 peak=399 ppm1=1.537 ppm2=8.352
assign ( resid 39 and name HG2#
)
( resid 37 and name H
or resid 86 and name HD#
) 4.0 0.8 0.8 volume=1.061 peak=400 ppm1=1.758 ppm2=7.353
assign ( resid 39 and name HG2#
)
( resid 85 and name HD#
) 4.4 0.9 0.9 volume=0.950 peak=401 ppm1=1.759 ppm2=6.903
assign ( resid 39 and name HG2#
)
( resid 85 and name HE#
) 5.9 1.2 1.2 volume=0.157 peak=402 ppm1=1.758 ppm2=6.455
assign ( resid 79 and name HG2#
)
( resid 43 and name HA
) 4.1 0.8 0.8 volume=0.687 peak=403 ppm1=1.710 ppm2=3.692
assign ( resid 54 and name HE#
)
( resid 51 and name HA
) 4.1 0.8 0.8 volume=0.654 peak=404 ppm1=1.266 ppm2=3.871
assign ( resid 167 and name HG2#
)
( resid 167 and name HB
) 4.0 0.8 0.8 volume=0.742 peak=405 ppm1=-0.158 ppm2=4.116
assign ( resid 167 and name HG2#
)
( resid 87 and name HD1#
or resid 87 and name HD2#
or resid 141 and name HD1#
or resid 168 and name HG1#
or resid 168 and name HG2#
) 3.9 0.8 0.8 volume=2.865 peak=406 ppm1=-0.157 ppm2=1.018
assign ( resid 47 and name HB#
)
( resid 47 and name H
) 4.0 0.8 0.8 volume=0.816 peak=407 ppm1=1.982 ppm2=6.889
assign ( resid 211 and name HD1#
)
( resid 166 and name HD1#
or resid 211 and name HG12
) 3.4 0.7 0.7 volume=3.153 peak=408 ppm1=0.914 ppm2=1.215
assign ( resid 211 and name HD1#
)
( resid 162 and name HB3
or resid 211 and name HG13
) 3.4 0.7 0.7 volume=2.228 peak=409 ppm1=0.912 ppm2=2.007
assign ( resid 211 and name HD1#
)
( resid 208 and name HA
or resid 211 and name HA
) 3.7 0.7 0.7 volume=1.283 peak=410 ppm1=0.915 ppm2=3.839
assign ( resid 211 and name HD1#
)
( resid 211 and name H
) 3.9 0.8 0.8 volume=0.980 peak=411 ppm1=0.911 ppm2=8.483
assign ( resid 211 and name HD1#
)
( resid 212 and name H
) 4.3 0.9 0.9 volume=0.517 peak=412 ppm1=0.912 ppm2=7.827
assign ( resid 211 and name HD1#
)
( resid 163 and name HD1#
) 4.5 0.9 0.9 volume=1.195 peak=413 ppm1=0.915 ppm2=0.266
assign ( resid 137 and name HD1#
)
( resid 134 and name HE#
or resid 171 and name HE3
or resid 171 and name HH2
) 3.6 0.7 0.7 volume=1.856 peak=414 ppm1=1.274 ppm2=7.494
assign ( resid 137 and name HD1#
)
( resid 134 and name HD#
) 4.5 0.9 0.9 volume=0.730 peak=415 ppm1=1.275 ppm2=7.316
assign ( resid 137 and name HD1#
)
( resid 137 and name H
or resid 141 and name H
) 3.9 0.8 0.8 volume=0.859 peak=416 ppm1=1.275 ppm2=8.505
assign ( resid 7 and name HD1#
or resid 196 and name HD1#
)
( resid 10 and name H
or resid 195 and name H
) 4.1 0.8 0.8 volume=0.658 peak=417 ppm1=0.871 ppm2=8.347
assign ( resid 132 and name HG1#
)
( resid 129 and name H
or resid 132 and name H
) 3.1 0.6 0.6 volume=3.442 peak=418 ppm1=1.164 ppm2=8.063
assign ( resid 93 and name HD1#
or resid 93 and name HD2#
or resid 108 and name HG1#
)
( resid 98 and name HE#
or resid 109 and name H
) 4.6 0.9 0.9 volume=0.449 peak=419 ppm1=0.744 ppm2=7.524
assign ( resid 101 and name HG1#
)
( resid 101 and name H
) 3.4 0.7 0.7 volume=2.160 peak=420 ppm1=1.053 ppm2=7.787
assign ( resid 107 and name HG1#
or resid 198 and name HG1#
)
( resid 12 and name H
or resid 134 and name H
or resid 200 and name H
) 4.2 0.8 0.8 volume=0.615 peak=421 ppm1=0.908 ppm2=8.556
assign ( resid 103 and name HG2#
)
( resid 104 and name H
or resid 107 and name H
) 3.8 0.8 0.8 volume=1.053 peak=422 ppm1=1.225 ppm2=8.364
assign ( resid 198 and name HG1#
)
( resid 199 and name H
) 4.1 0.8 0.8 volume=0.673 peak=423 ppm1=0.900 ppm2=7.519
assign ( resid 68 and name HG2#
)
( resid 113 and name HE#
) 3.9 0.8 0.8 volume=1.798 peak=424 ppm1=1.052 ppm2=7.165
assign ( resid 138 and name HG1#
)
( resid 138 and name H
) 3.6 0.7 0.7 volume=1.366 peak=425 ppm1=0.471 ppm2=8.727
assign ( resid 138 and name HG1#
)
( resid 137 and name HG
) 4.5 0.9 0.9 volume=0.383 peak=426 ppm1=0.469 ppm2=1.630
assign ( resid 177 and name HD1#
)
( resid 177 and name H
) 3.9 0.8 0.8 volume=0.909 peak=427 ppm1=0.754 ppm2=7.880
assign ( resid 197 and name HD1#
)
( resid 200 and name HD1#
) 4.4 0.9 0.9 volume=1.342 peak=428 ppm1=1.086 ppm2=0.279
assign ( resid 90 and name HD1#
)
( resid 86 and name HD#
) 4.1 0.8 0.8 volume=1.278 peak=429 ppm1=1.109 ppm2=7.351
assign ( resid 90 and name HD1#
)
( resid 163 and name HD2#
) 4.7 0.9 0.9 volume=0.866 peak=430 ppm1=1.109 ppm2=0.515
assign ( resid 74 and name HG2#
)
( resid 74 and name HB
) 3.5 0.7 0.7 volume=1.620 peak=431 ppm1=0.865 ppm2=1.793
assign ( resid 74 and name HG2#
or resid 83 and name HG2#
or resid 211 and name HG2#
)
( resid 74 and name HG12
or resid 83 and name HD1#
or resid 166 and name HD1#
) 3.6 0.7 0.7 volume=2.774 peak=432 ppm1=0.862 ppm2=1.174
assign ( resid 74 and name HG2#
or resid 211 and name HG2#
)
( resid 50 and name HB#
or resid 70 and name HG1#
or resid 74 and name HG13
or resid 212 and name HB#
) 3.7 0.7 0.7 volume=2.611 peak=433 ppm1=0.866 ppm2=1.423
assign ( resid 121 and name HG2#
)
( resid 124 and name HD#
) 4.5 0.9 0.9 volume=0.758 peak=434 ppm1=1.294 ppm2=7.408
assign ( resid 121 and name HG2#
)
( resid 121 and name HG12
) 3.2 0.6 0.6 volume=2.957 peak=435 ppm1=1.293 ppm2=1.848
assign ( resid 121 and name HG2#
)
( resid 121 and name HG13
) 2.9 0.6 0.6 volume=5.549 peak=436 ppm1=1.293 ppm2=1.709
assign ( resid 102 and name HG2#
)
( resid 102 and name H
) 3.8 0.8 0.8 volume=1.157 peak=437 ppm1=1.017 ppm2=8.641
assign ( resid 102 and name HG2#
or resid 135 and name HG2#
)
( resid 84 and name HB
or resid 135 and name HB
) 3.1 0.6 0.6 volume=3.651 peak=438 ppm1=1.033 ppm2=2.333
assign ( resid 114 and name HB#
)
( resid 114 and name HA
) 3.1 0.6 0.6 volume=3.306 peak=439 ppm1=1.420 ppm2=3.612
assign ( resid 167 and name HG2#
)
( resid 167 and name H
) 4.4 0.9 0.9 volume=0.439 peak=440 ppm1=-0.159 ppm2=7.852
assign ( resid 100 and name HD1#
)
( resid 100 and name H
) 3.5 0.7 0.7 volume=1.836 peak=441 ppm1=1.079 ppm2=7.865
assign ( resid 25 and name HB#
)
( resid 213 and name HD1#
or resid 213 and name HD2#
) 3.7 0.7 0.7 volume=4.003 peak=442 ppm1=1.888 ppm2=1.101
assign ( resid 52 and name HB#
)
( resid 55 and name HB#
) 5.2 1.0 1.0 volume=0.509 peak=443 ppm1=1.595 ppm2=0.186
assign ( resid 117 and name HE#
)
( resid 63 and name HG1#
) 4.4 0.9 0.9 volume=1.423 peak=444 ppm1=1.928 ppm2=0.829
assign ( resid 117 and name HE#
)
( resid 114 and name HA
) 4.1 0.8 0.8 volume=0.632 peak=445 ppm1=1.929 ppm2=3.619
assign ( resid 117 and name HE#
)
( resid 117 and name HA
) 3.8 0.8 0.8 volume=1.082 peak=446 ppm1=1.925 ppm2=4.652
assign ( resid 145 and name HE#
)
( resid 93 and name HD1#
or resid 93 and name HD2#
or resid 93 and name HB3
) 3.3 0.7 0.7 volume=4.161 peak=447 ppm1=2.144 ppm2=0.759
assign ( resid 145 and name HE#
)
( resid 84 and name HA
or resid 88 and name HA2
or resid 88 and name HA3
) 3.6 0.7 0.7 volume=1.538 peak=448 ppm1=2.144 ppm2=3.746
assign ( resid 15 and name HE#
)
( resid 51 and name HE#
) 5.0 1.0 1.0 volume=0.406 peak=449 ppm1=2.202 ppm2=7.147
assign ( resid 15 and name HE#
)
( resid 198 and name HG1#
or resid 202 and name HD1#
) 4.9 1.0 1.0 volume=0.701 peak=450 ppm1=2.197 ppm2=0.882
assign ( resid 1 and name HE#
)
( resid 191 and name H
) 5.0 1.0 1.0 volume=0.207 peak=451 ppm1=2.278 ppm2=7.842
assign ( resid 217 and name HB#
)
( resid 220 and name HD2
or resid 220 and name HD3
) 4.0 0.8 0.8 volume=0.765 peak=452 ppm1=1.714 ppm2=3.406
assign ( resid 47 and name HB#
)
( resid 46 and name HG12
or resid 48 and name HB#
or resid 79 and name HG2#
) 4.0 0.8 0.8 volume=1.348 peak=453 ppm1=1.967 ppm2=1.698
assign ( resid 177 and name HG2#
)
( resid 181 and name HA3
or resid 181 and name HA2
) 3.9 0.8 0.8 volume=0.962 peak=454 ppm1=1.200 ppm2=4.169
assign ( resid 91 and name HB#
)
( resid 92 and name H
) 4.4 0.9 0.9 volume=0.459 peak=455 ppm1=1.214 ppm2=7.760
assign ( resid 172 and name HB#
)
( resid 168 and name HG2#
or resid 173 and name HD1#
) 3.9 0.8 0.8 volume=2.674 peak=456 ppm1=1.954 ppm2=1.006
assign ( resid 141 and name HD2#
)
( resid 87 and name HD1#
or resid 141 and name HD1#
or resid 168 and name HG2#
) 3.5 0.7 0.7 volume=5.060 peak=457 ppm1=0.670 ppm2=1.004
assign ( resid 189 and name HG2#
)
( resid 189 and name HB
) 4.0 0.8 0.8 volume=0.820 peak=458 ppm1=1.614 ppm2=4.906
assign ( resid 79 and name HG2#
)
( resid 78 and name H
) 4.5 0.9 0.9 volume=0.364 peak=459 ppm1=1.714 ppm2=7.691
assign ( resid 15 and name HE#
)
( resid 47 and name HB#
) 4.5 0.9 0.9 volume=1.104 peak=460 ppm1=2.197 ppm2=1.987
assign ( resid 54 and name HE#
)
( resid 54 and name HA
) 5.0 1.0 1.0 volume=0.204 peak=461 ppm1=1.266 ppm2=4.364
assign ( resid 54 and name HE#
)
( resid 72 and name H
) 5.2 1.0 1.0 volume=0.156 peak=462 ppm1=1.272 ppm2=6.549
assign ( resid 83 and name HD1#
)
( resid 43 and name HD1#
or resid 83 and name HG2#
) 4.2 0.8 0.8 volume=1.776 peak=463 ppm1=1.122 ppm2=0.865
assign ( resid 102 and name HG2#
)
( resid 102 and name HG12
) 3.2 0.6 0.6 volume=3.015 peak=464 ppm1=1.019 ppm2=1.773
assign ( resid 197 and name HD1#
)
( resid 197 and name HG13
) 3.5 0.7 0.7 volume=1.645 peak=465 ppm1=1.086 ppm2=1.786
assign ( resid 102 and name HD1#
)
( resid 102 and name HG13
) 3.2 0.6 0.6 volume=2.837 peak=466 ppm1=1.029 ppm2=1.601
assign ( resid 102 and name HD1#
)
( resid 102 and name HG12
) 3.0 0.6 0.6 volume=4.501 peak=467 ppm1=1.027 ppm2=1.774
assign ( resid 38 and name HG1#
)
( resid 38 and name HB
) 3.0 0.6 0.6 volume=4.309 peak=468 ppm1=1.165 ppm2=2.290
assign ( resid 4 and name HD1#
)
( resid 4 and name HD2#
or resid 7 and name HD1#
or resid 7 and name HD2#
) 3.3 0.7 0.7 volume=7.641 peak=469 ppm1=0.677 ppm2=0.913
assign ( resid 4 and name HD1#
)
( resid 3 and name HA2
or resid 191 and name HB
) 4.2 0.8 0.8 volume=0.548 peak=470 ppm1=0.675 ppm2=4.099
assign ( resid 4 and name HD1#
)
( resid 8 and name HE#
or resid 69 and name HZ
) 4.0 0.8 0.8 volume=1.060 peak=471 ppm1=0.674 ppm2=6.692
assign ( resid 4 and name HD1#
)
( resid 7 and name H
or resid 60 and name HH2
or resid 60 and name HZ3
) 4.1 0.8 0.8 volume=0.706 peak=472 ppm1=0.674 ppm2=7.507
assign ( resid 4 and name HD1#
)
( resid 4 and name H
or resid 194 and name H
) 4.2 0.8 0.8 volume=0.625 peak=473 ppm1=0.672 ppm2=8.163
assign ( resid 200 and name HD2#
or resid 219 and name HD1#
)
( resid 197 and name HA
or resid 200 and name HA
) 3.4 0.7 0.7 volume=2.020 peak=474 ppm1=0.813 ppm2=3.866
assign ( resid 84 and name HG1#
)
( resid 85 and name HB3
) 3.4 0.7 0.7 volume=2.210 peak=475 ppm1=1.285 ppm2=3.373
assign ( resid 219 and name HD1#
)
( resid 159 and name HG
or resid 215 and name HB#
or resid 219 and name HB3
) 3.3 0.7 0.7 volume=3.457 peak=476 ppm1=0.820 ppm2=1.641
assign ( resid 187 and name HD1#
)
( resid 187 and name HA
) 3.1 0.6 0.6 volume=3.392 peak=477 ppm1=1.075 ppm2=4.469
assign ( resid 49 and name HG2#
)
( resid 46 and name HA
or resid 49 and name HA
) 3.0 0.6 0.6 volume=4.284 peak=478 ppm1=0.981 ppm2=3.621
assign ( resid 185 and name HG1#
)
( resid 184 and name HA2
or resid 185 and name HA
) 3.2 0.6 0.6 volume=3.250 peak=479 ppm1=1.223 ppm2=4.295
assign ( resid 38 and name HG2#
)
( resid 38 and name H
) 3.3 0.7 0.7 volume=2.531 peak=480 ppm1=1.283 ppm2=8.789
assign ( resid 56 and name HD1#
or resid 161 and name HG1#
)
( resid 9 and name HH2
or resid 160 and name HD#
) 3.5 0.7 0.7 volume=2.280 peak=481 ppm1=1.295 ppm2=7.083
assign ( resid 56 and name HD1#
or resid 84 and name HG1#
)
( resid 56 and name HA
or resid 80 and name HA
) 2.9 0.6 0.6 volume=5.702 peak=482 ppm1=1.294 ppm2=4.401
assign ( resid 38 and name HG2#
or resid 161 and name HG1#
)
( resid 35 and name HA
or resid 158 and name HA
or resid 159 and name HA
) 3.1 0.6 0.6 volume=3.404 peak=483 ppm1=1.284 ppm2=4.243
assign ( resid 194 and name HG1#
)
( resid 4 and name HD2#
or resid 7 and name HD1#
or resid 7 and name HD2#
or resid 198 and name HG1#
) 3.9 0.8 0.8 volume=2.855 peak=484 ppm1=0.425 ppm2=0.876
assign ( resid 40 and name HD1#
or resid 194 and name HG1#
)
( resid 8 and name HE#
or resid 69 and name HZ
or resid 69 and name HD#
or resid 86 and name HZ
) 4.7 0.9 0.9 volume=0.421 peak=485 ppm1=0.417 ppm2=6.698
assign ( resid 40 and name HD1#
or resid 194 and name HG1#
)
( resid 8 and name HD#
or resid 22 and name HE#
or resid 22 and name HD#
or resid 51 and name HE#
) 5.1 1.0 1.0 volume=0.387 peak=486 ppm1=0.405 ppm2=7.163
assign ( resid 77 and name HD1#
)
( resid 78 and name H
) 4.6 0.9 0.9 volume=0.327 peak=487 ppm1=0.868 ppm2=7.695
assign ( resid 38 and name HG2#
or resid 56 and name HD1#
)
( resid 55 and name HB#
or resid 89 and name HD1#
) 4.8 1.0 1.0 volume=0.767 peak=488 ppm1=1.296 ppm2=0.218
assign ( resid 213 and name HD1#
)
( resid 22 and name HD#
or resid 210 and name HE#
) 3.7 0.7 0.7 volume=2.398 peak=489 ppm1=1.101 ppm2=7.194
assign ( resid 188 and name HD1#
)
( resid 187 and name H
or resid 188 and name H
) 3.7 0.7 0.7 volume=1.236 peak=490 ppm1=0.998 ppm2=8.015
assign ( resid 61 and name HG1#
)
( resid 61 and name H
) 3.7 0.7 0.7 volume=1.300 peak=491 ppm1=1.100 ppm2=9.157
assign ( resid 63 and name HG1#
)
( resid 68 and name HB
) 3.6 0.7 0.7 volume=1.545 peak=492 ppm1=0.819 ppm2=2.181
assign ( resid 63 and name HG1#
)
( resid 63 and name HA
or resid 64 and name HA
or resid 68 and name HA
) 3.3 0.7 0.7 volume=2.293 peak=493 ppm1=0.820 ppm2=4.052
assign ( resid 58 and name HG1#
)
( resid 59 and name H
) 3.7 0.7 0.7 volume=1.299 peak=494 ppm1=0.889 ppm2=8.914
assign ( resid 79 and name HG2#
)
( resid 46 and name H
) 4.5 0.9 0.9 volume=0.380 peak=495 ppm1=1.710 ppm2=8.249
assign ( resid 80 and name HG2#
)
( resid 76 and name HA
or resid 80 and name HA
) 4.2 0.8 0.8 volume=0.622 peak=496 ppm1=0.446 ppm2=4.373
assign ( resid 87 and name HD2#
)
( resid 86 and name HE#
or resid 208 and name HD#
) 4.5 0.9 0.9 volume=0.794 peak=497 ppm1=1.063 ppm2=7.002
assign ( resid 89 and name HD1#
)
( resid 89 and name H
) 4.1 0.8 0.8 volume=0.706 peak=498 ppm1=0.206 ppm2=9.023
assign ( resid 89 and name HD1#
)
( resid 35 and name HA
or resid 89 and name HA
) 3.8 0.8 0.8 volume=1.016 peak=499 ppm1=0.203 ppm2=4.247
assign ( resid 90 and name HD2#
)
( resid 90 and name H
) 4.0 0.8 0.8 volume=0.804 peak=500 ppm1=0.923 ppm2=7.827
assign ( resid 90 and name HD2#
)
( resid 89 and name H
or resid 160 and name H
) 4.6 0.9 0.9 volume=0.347 peak=501 ppm1=0.926 ppm2=9.062
assign ( resid 90 and name HD1#
)
( resid 91 and name H
) 4.6 0.9 0.9 volume=0.357 peak=502 ppm1=1.107 ppm2=8.230
assign ( resid 90 and name HD2#
)
( resid 86 and name HE#
or resid 160 and name HD#
) 5.2 1.0 1.0 volume=0.325 peak=503 ppm1=0.927 ppm2=7.011
assign ( resid 90 and name HD1#
)
( resid 90 and name HG
or resid 159 and name HB3
) 3.5 0.7 0.7 volume=1.645 peak=504 ppm1=1.107 ppm2=2.095
assign ( resid 90 and name HD1#
)
( resid 90 and name HB2
or resid 159 and name HB2
or resid 159 and name HG
or resid 163 and name HB3
or resid 163 and name HG
) 3.4 0.7 0.7 volume=2.203 peak=505 ppm1=1.112 ppm2=1.666
assign ( resid 90 and name HD1#
)
( resid 163 and name HD1#
) 5.5 1.1 1.1 volume=0.334 peak=506 ppm1=1.110 ppm2=0.265
assign ( resid 100 and name HD1#
)
( resid 97 and name H
) 4.1 0.8 0.8 volume=0.696 peak=507 ppm1=1.075 ppm2=8.349
assign ( resid 101 and name HG1#
)
( resid 105 and name HB3
or resid 140 and name HB3
) 4.0 0.8 0.8 volume=0.786 peak=508 ppm1=1.050 ppm2=2.960
assign ( resid 102 and name HD1#
)
( resid 102 and name H
) 3.6 0.7 0.7 volume=1.410 peak=509 ppm1=1.027 ppm2=8.650
assign ( resid 102 and name HD1#
)
( resid 81 and name HA
) 3.7 0.7 0.7 volume=1.308 peak=510 ppm1=1.028 ppm2=4.479
assign ( resid 103 and name HG2#
)
( resid 100 and name HB
) 4.2 0.8 0.8 volume=0.580 peak=511 ppm1=1.223 ppm2=2.019
assign ( resid 50 and name HB#
)
( resid 49 and name HG1#
or resid 53 and name HG2#
) 4.2 0.8 0.8 volume=1.749 peak=512 ppm1=1.455 ppm2=1.161
assign ( resid 108 and name HG1#
)
( resid 108 and name H
) 4.6 0.9 0.9 volume=0.361 peak=513 ppm1=0.738 ppm2=7.760
assign ( resid 137 and name HD1#
)
( resid 137 and name HB3
) 3.8 0.8 0.8 volume=1.013 peak=514 ppm1=1.274 ppm2=2.404
assign ( resid 137 and name HD1#
)
( resid 104 and name HB3
or resid 137 and name HG
) 3.4 0.7 0.7 volume=2.134 peak=515 ppm1=1.273 ppm2=1.625
assign ( resid 141 and name HD2#
)
( resid 138 and name HA
) 4.0 0.8 0.8 volume=0.772 peak=516 ppm1=0.669 ppm2=3.376
assign ( resid 141 and name HD2#
)
( resid 138 and name HB
or resid 141 and name HG
) 3.2 0.6 0.6 volume=2.752 peak=517 ppm1=0.670 ppm2=2.080
assign ( resid 145 and name HE#
)
( resid 84 and name HG2#
or resid 87 and name HD1#
or resid 87 and name HD2#
or resid 101 and name HG1#
or resid 101 and name HG2#
or resid 141 and name HD1#
) 3.4 0.7 0.7 volume=6.522 peak=518 ppm1=2.144 ppm2=1.033
assign ( resid 170 and name HD1#
)
( resid 170 and name HA
) 3.1 0.6 0.6 volume=3.461 peak=519 ppm1=1.063 ppm2=4.510
assign ( resid 203 and name HG1#
)
( resid 199 and name HE#
) 4.4 0.9 0.9 volume=0.877 peak=520 ppm1=0.981 ppm2=6.693
assign ( resid 166 and name HD1#
)
( resid 163 and name HA
or resid 166 and name HA
) 3.6 0.7 0.7 volume=1.506 peak=521 ppm1=1.191 ppm2=4.108
assign ( resid 166 and name HD2#
)
( resid 166 and name HA
) 3.1 0.6 0.6 volume=3.673 peak=522 ppm1=1.050 ppm2=4.046
assign ( resid 166 and name HD2#
)
( resid 207 and name HA3
or resid 208 and name HA
) 3.6 0.7 0.7 volume=1.558 peak=523 ppm1=1.050 ppm2=3.853
assign ( resid 63 and name HG2#
or resid 68 and name HG2#
)
( resid 63 and name HA
or resid 64 and name HA
or resid 68 and name HA
) 3.0 0.6 0.6 volume=4.490 peak=524 ppm1=1.037 ppm2=4.058
assign ( resid 135 and name HG12
)
( resid 104 and name HD1#
or resid 132 and name HG2#
or resid 135 and name HD1#
or resid 135 and name HG2#
) 3.4 0.7 0.7 volume=2.077 peak=525 ppm1=1.481 ppm2=1.013
assign ( resid 213 and name HD1#
)
( resid 213 and name HG
or resid 213 and name HB3
) 2.9 0.6 0.6 volume=4.982 peak=526 ppm1=1.097 ppm2=2.155
assign ( resid 196 and name HD2#
)
( resid 196 and name HA
) 3.6 0.7 0.7 volume=1.364 peak=527 ppm1=0.918 ppm2=4.082
assign ( resid 198 and name HG2#
)
( resid 11 and name HA2
or resid 11 and name HA3
or resid 194 and name HA
) 4.0 0.8 0.8 volume=0.750 peak=528 ppm1=1.137 ppm2=3.347
assign ( resid 107 and name HG1#
)
( resid 107 and name HA
) 3.5 0.7 0.7 volume=1.908 peak=529 ppm1=0.917 ppm2=3.524
assign ( resid 200 and name HD2#
or resid 219 and name HD1#
)
( resid 173 and name HG12
or resid 177 and name HG13
or resid 196 and name HB3
or resid 218 and name HG2#
) 3.3 0.7 0.7 volume=3.133 peak=530 ppm1=0.817 ppm2=1.398
assign ( resid 70 and name HG1#
)
( resid 70 and name HA
) 3.8 0.8 0.8 volume=1.148 peak=531 ppm1=1.396 ppm2=3.953
assign ( resid 58 and name HG1#
)
( resid 53 and name HA
or resid 59 and name HA2
or resid 59 and name HA3
) 3.9 0.8 0.8 volume=0.947 peak=532 ppm1=0.894 ppm2=3.699
assign ( resid 38 and name HG2#
or resid 84 and name HG1#
)
( resid 38 and name HA
or resid 84 and name HA
or resid 88 and name HA2
or resid 88 and name HA3
or resid 101 and name HA
) 2.9 0.6 0.6 volume=5.145 peak=533 ppm1=1.283 ppm2=3.773
assign ( resid 40 and name HD2#
)
( resid 40 and name H
) 4.4 0.9 0.9 volume=0.437 peak=534 ppm1=0.512 ppm2=7.525
assign ( resid 74 and name HG2#
)
( resid 74 and name HD1#
) 3.6 0.7 0.7 volume=4.504 peak=535 ppm1=0.871 ppm2=0.686
assign ( resid 28 and name HA
)
( resid 28 and name H
) 3.1 0.6 0.6 volume=1.265 peak=536 ppm1=4.948 ppm2=7.913
assign ( resid 28 and name HA
or resid 94 and name HA
)
( resid 29 and name H
or resid 98 and name HD#
) 3.3 0.7 0.7 volume=1.014 peak=537 ppm1=4.946 ppm2=7.314
assign ( resid 74 and name HB
)
( resid 74 and name HD1#
) 4.4 0.9 0.9 volume=0.471 peak=538 ppm1=1.820 ppm2=0.697
assign ( resid 74 and name HB
)
( resid 74 and name H
) 4.4 0.9 0.9 volume=0.145 peak=539 ppm1=1.819 ppm2=7.189
assign ( resid 13 and name HA
)
( resid 13 and name HG12
) 3.5 0.7 0.7 volume=0.551 peak=540 ppm1=3.848 ppm2=1.380
assign ( resid 13 and name HA
)
( resid 13 and name HG13
or resid 13 and name HB
or resid 16 and name HB3
) 3.3 0.7 0.7 volume=0.876 peak=541 ppm1=3.841 ppm2=2.101
assign ( resid 13 and name HG12
)
( resid 13 and name HA
) 3.7 0.7 0.7 volume=0.415 peak=542 ppm1=1.366 ppm2=3.843
assign ( resid 13 and name HG12
)
( resid 13 and name HG13
) 3.0 0.6 0.6 volume=1.592 peak=543 ppm1=1.364 ppm2=2.059
assign ( resid 13 and name HG13
)
( resid 13 and name HA
) 3.7 0.7 0.7 volume=0.425 peak=544 ppm1=2.055 ppm2=3.846
assign ( resid 216 and name HA
)
( resid 219 and name HD1#
or resid 219 and name HD2#
) 3.8 0.8 0.8 volume=1.038 peak=545 ppm1=4.060 ppm2=0.852
assign ( resid 135 and name HG13
)
( resid 135 and name HA
or resid 139 and name HB3
) 3.7 0.7 0.7 volume=0.413 peak=546 ppm1=2.080 ppm2=3.601
assign ( resid 17 and name HA
or resid 192 and name HA
)
( resid 17 and name HG1#
or resid 192 and name HG1#
or resid 192 and name HG2#
) 3.1 0.6 0.6 volume=3.632 peak=547 ppm1=3.607 ppm2=1.157
assign ( resid 91 and name HB#
)
( resid 92 and name HA2
or resid 92 and name HA3
or resid 145 and name HA
) 3.7 0.7 0.7 volume=1.191 peak=548 ppm1=1.212 ppm2=3.940
assign ( resid 218 and name HB
)
( resid 215 and name HB#
or resid 219 and name HB3
) 3.6 0.7 0.7 volume=0.801 peak=549 ppm1=4.452 ppm2=1.680
assign ( resid 177 and name HD1#
)
( resid 173 and name HD1#
or resid 173 and name HG2#
or resid 188 and name HD1#
or resid 188 and name HD2#
) 3.4 0.7 0.7 volume=6.297 peak=550 ppm1=0.759 ppm2=0.986
assign ( resid 177 and name HG2#
)
( resid 173 and name HG2#
or resid 180 and name HD2#
or resid 180 and name HD1#
or resid 188 and name HD1#
) 3.7 0.7 0.7 volume=3.871 peak=551 ppm1=1.195 ppm2=1.029
assign ( resid 177 and name HB
)
( resid 177 and name HD1#
) 4.4 0.9 0.9 volume=0.465 peak=552 ppm1=2.235 ppm2=0.770
assign ( resid 177 and name HB
)
( resid 177 and name HG2#
) 4.2 0.8 0.8 volume=0.586 peak=553 ppm1=2.221 ppm2=1.190
assign ( resid 102 and name HB
)
( resid 102 and name HA
) 3.8 0.8 0.8 volume=0.356 peak=554 ppm1=2.169 ppm2=4.005
assign ( resid 102 and name HG13
or resid 197 and name HG12
)
( resid 101 and name HG1#
or resid 102 and name HD1#
or resid 102 and name HG2#
) 3.3 0.7 0.7 volume=2.575 peak=555 ppm1=1.608 ppm2=1.027
assign ( resid 102 and name HG13
or resid 197 and name HG12
)
( resid 102 and name HG12
or resid 197 and name HG13
) 2.9 0.6 0.6 volume=1.838 peak=556 ppm1=1.613 ppm2=1.776
assign ( resid 38 and name HB
or resid 132 and name HB
)
( resid 38 and name HA
or resid 132 and name HA
) 3.2 0.6 0.6 volume=0.997 peak=557 ppm1=2.301 ppm2=3.735
assign ( resid 132 and name HB
)
( resid 129 and name HA
or resid 133 and name HA
) 3.3 0.7 0.7 volume=0.882 peak=558 ppm1=2.299 ppm2=4.084
assign ( resid 77 and name HG12
)
( resid 77 and name HD1#
or resid 78 and name HD1#
or resid 78 and name HD2#
) 3.9 0.8 0.8 volume=0.853 peak=559 ppm1=1.102 ppm2=0.888
assign ( resid 77 and name HB
)
( resid 77 and name H
) 3.7 0.7 0.7 volume=0.411 peak=560 ppm1=2.044 ppm2=8.466
assign ( resid 100 and name HB
)
( resid 100 and name HG2#
) 4.0 0.8 0.8 volume=0.826 peak=561 ppm1=1.984 ppm2=0.707
assign ( resid 102 and name HG13
)
( resid 102 and name H
) 3.8 0.8 0.8 volume=0.384 peak=562 ppm1=1.609 ppm2=8.652
assign ( resid 121 and name HG12
)
( resid 121 and name HB
) 3.2 0.6 0.6 volume=0.957 peak=563 ppm1=1.843 ppm2=2.308
assign ( resid 121 and name HG12
)
( resid 121 and name HD1#
or resid 121 and name HG2#
) 3.2 0.6 0.6 volume=2.989 peak=564 ppm1=1.845 ppm2=1.245
assign ( resid 173 and name HA
)
( resid 173 and name HB
or resid 173 and name HG13
) 3.7 0.7 0.7 volume=0.431 peak=565 ppm1=4.154 ppm2=2.294
assign ( resid 41 and name HA
)
( resid 19 and name HG2#
or resid 41 and name HG2#
) 3.7 0.7 0.7 volume=1.353 peak=566 ppm1=4.072 ppm2=1.435
assign ( resid 41 and name HA
)
( resid 41 and name HG1#
) 3.7 0.7 0.7 volume=1.161 peak=567 ppm1=4.078 ppm2=1.143
assign ( resid 49 and name HA
)
( resid 49 and name H
) 3.6 0.7 0.7 volume=0.489 peak=568 ppm1=3.600 ppm2=7.679
assign ( resid 53 and name HA
)
( resid 53 and name H
or resid 55 and name H
) 3.8 0.8 0.8 volume=0.365 peak=569 ppm1=3.680 ppm2=8.410
assign ( resid 58 and name HA
)
( resid 58 and name H
) 4.0 0.8 0.8 volume=0.262 peak=570 ppm1=3.984 ppm2=7.764
assign ( resid 58 and name HA
)
( resid 59 and name H
) 3.4 0.7 0.7 volume=0.689 peak=571 ppm1=3.977 ppm2=8.923
assign ( resid 84 and name HB
)
( resid 84 and name H
) 3.8 0.8 0.8 volume=0.370 peak=572 ppm1=2.351 ppm2=8.301
assign ( resid 167 and name HA
or resid 169 and name HA
)
( resid 168 and name HG1#
or resid 169 and name HG1#
or resid 170 and name HD1#
) 3.2 0.6 0.6 volume=3.133 peak=573 ppm1=3.798 ppm2=1.075
assign ( resid 118 and name HB
)
( resid 118 and name H
) 3.8 0.8 0.8 volume=0.334 peak=574 ppm1=2.265 ppm2=7.361
assign ( resid 168 and name HA
)
( resid 141 and name HD1#
or resid 168 and name HG1#
or resid 168 and name HG2#
) 3.5 0.7 0.7 volume=1.907 peak=575 ppm1=3.427 ppm2=1.027
assign ( resid 169 and name HB
)
( resid 169 and name H
) 3.3 0.7 0.7 volume=0.854 peak=576 ppm1=2.230 ppm2=7.488
assign ( resid 38 and name HA
or resid 167 and name HA
or resid 169 and name HA
)
( resid 38 and name HG1#
or resid 41 and name HG1#
or resid 166 and name HD1#
or resid 169 and name HG2#
or resid 170 and name HD2#
) 3.2 0.6 0.6 volume=3.115 peak=577 ppm1=3.789 ppm2=1.193
assign ( resid 185 and name HA
)
( resid 185 and name HB
) 3.4 0.7 0.7 volume=0.746 peak=578 ppm1=4.306 ppm2=2.560
assign ( resid 161 and name HA
)
( resid 161 and name HG2#
) 4.2 0.8 0.8 volume=0.582 peak=579 ppm1=3.209 ppm2=1.059
assign ( resid 83 and name HD1#
)
( resid 83 and name H
) 4.7 0.9 0.9 volume=0.289 peak=580 ppm1=1.123 ppm2=7.947
assign ( resid 43 and name HD1#
)
( resid 86 and name HD#
) 5.4 1.1 1.1 volume=0.257 peak=581 ppm1=0.847 ppm2=7.359
assign ( resid 83 and name HD1#
)
( resid 80 and name HA
or resid 83 and name HA
) 4.6 0.9 0.9 volume=0.359 peak=582 ppm1=1.124 ppm2=4.367
assign ( resid 83 and name HD1#
)
( resid 79 and name HB
) 5.0 1.0 1.0 volume=0.207 peak=583 ppm1=1.123 ppm2=4.170
assign ( resid 83 and name HD1#
)
( resid 43 and name HA
) 4.5 0.9 0.9 volume=0.374 peak=584 ppm1=1.124 ppm2=3.688
assign ( resid 83 and name HD1#
)
( resid 86 and name HB3
) 4.4 0.9 0.9 volume=0.441 peak=585 ppm1=1.124 ppm2=2.450
assign ( resid 83 and name HD1#
)
( resid 43 and name HB
) 4.4 0.9 0.9 volume=0.458 peak=586 ppm1=1.124 ppm2=2.052
assign ( resid 83 and name HG2#
)
( resid 84 and name H
) 4.4 0.9 0.9 volume=0.446 peak=587 ppm1=0.861 ppm2=8.268
assign ( resid 13 and name HB
)
( resid 14 and name H
) 3.7 0.7 0.7 volume=0.418 peak=588 ppm1=2.145 ppm2=8.852
assign ( resid 13 and name HB
)
( resid 13 and name HA
) 3.7 0.7 0.7 volume=0.420 peak=589 ppm1=2.143 ppm2=3.845
assign ( resid 13 and name HB
)
( resid 10 and name HA
) 3.7 0.7 0.7 volume=0.423 peak=590 ppm1=2.145 ppm2=4.174
assign ( resid 13 and name HB
)
( resid 13 and name HG12
) 3.6 0.7 0.7 volume=0.481 peak=591 ppm1=2.145 ppm2=1.374
assign ( resid 46 and name HG2#
)
( resid 47 and name H
) 4.5 0.9 0.9 volume=0.366 peak=592 ppm1=0.936 ppm2=6.894
assign ( resid 46 and name HD1#
)
( resid 78 and name H
) 4.5 0.9 0.9 volume=0.382 peak=593 ppm1=0.885 ppm2=7.687
assign ( resid 46 and name HA
)
( resid 46 and name H
) 4.1 0.8 0.8 volume=0.230 peak=594 ppm1=3.636 ppm2=8.232
assign ( resid 46 and name HG13
or resid 162 and name HB2
)
( resid 46 and name H
or resid 163 and name H
) 3.5 0.7 0.7 volume=0.552 peak=595 ppm1=2.070 ppm2=8.193
assign ( resid 74 and name HA
)
( resid 74 and name H
) 4.3 0.9 0.9 volume=0.169 peak=596 ppm1=3.508 ppm2=7.184
assign ( resid 77 and name HB
)
( resid 78 and name H
) 4.1 0.8 0.8 volume=0.229 peak=597 ppm1=2.045 ppm2=7.698
assign ( resid 77 and name HG12
)
( resid 77 and name H
) 4.1 0.8 0.8 volume=0.228 peak=598 ppm1=1.091 ppm2=8.464
assign ( resid 77 and name HG13
)
( resid 77 and name H
) 3.9 0.8 0.8 volume=0.309 peak=599 ppm1=2.051 ppm2=8.452
assign ( resid 43 and name HB
or resid 77 and name HB
)
( resid 43 and name HA
or resid 77 and name HA
) 4.1 0.8 0.8 volume=0.226 peak=600 ppm1=2.045 ppm2=3.660
assign ( resid 77 and name HB
)
( resid 74 and name HA
) 3.8 0.8 0.8 volume=0.352 peak=601 ppm1=2.042 ppm2=3.511
assign ( resid 100 and name HG2#
)
( resid 104 and name H
) 4.2 0.8 0.8 volume=0.584 peak=602 ppm1=0.710 ppm2=8.354
assign ( resid 100 and name HB
)
( resid 100 and name H
or resid 101 and name H
) 3.6 0.7 0.7 volume=0.465 peak=603 ppm1=1.981 ppm2=7.842
assign ( resid 100 and name HG13
)
( resid 100 and name H
) 3.8 0.8 0.8 volume=0.332 peak=604 ppm1=1.141 ppm2=7.873
assign ( resid 100 and name HG12
)
( resid 100 and name H
) 3.7 0.7 0.7 volume=0.416 peak=605 ppm1=1.960 ppm2=7.868
assign ( resid 100 and name HB
)
( resid 100 and name HA
) 4.0 0.8 0.8 volume=0.274 peak=606 ppm1=1.981 ppm2=3.739
assign ( resid 100 and name HB
)
( resid 97 and name HA
) 4.1 0.8 0.8 volume=0.212 peak=607 ppm1=1.980 ppm2=4.224
assign ( resid 100 and name HD1#
)
( resid 96 and name HB3
) 3.7 0.7 0.7 volume=1.336 peak=608 ppm1=1.073 ppm2=1.725
assign ( resid 102 and name HA
)
( resid 102 and name H
) 4.2 0.8 0.8 volume=0.210 peak=609 ppm1=3.993 ppm2=8.645
assign ( resid 135 and name HG2#
)
( resid 134 and name HD#
) 5.0 1.0 1.0 volume=0.403 peak=610 ppm1=1.027 ppm2=7.319
assign ( resid 102 and name HA
)
( resid 105 and name H
or resid 106 and name H
) 4.1 0.8 0.8 volume=0.225 peak=611 ppm1=4.009 ppm2=8.222
assign ( resid 102 and name HG13
)
( resid 102 and name HA
) 3.8 0.8 0.8 volume=0.367 peak=612 ppm1=1.612 ppm2=3.997
assign ( resid 102 and name HD1#
)
( resid 85 and name HB3
or resid 98 and name HB3
) 3.9 0.8 0.8 volume=0.978 peak=613 ppm1=1.027 ppm2=3.373
assign ( resid 102 and name HG13
)
( resid 102 and name HB
) 3.5 0.7 0.7 volume=0.544 peak=614 ppm1=1.612 ppm2=2.158
assign ( resid 102 and name HG12
)
( resid 84 and name HG2#
or resid 101 and name HG1#
or resid 101 and name HG2#
or resid 102 and name HD1#
or resid 102 and name HG2#
) 3.2 0.6 0.6 volume=3.126 peak=615 ppm1=1.780 ppm2=1.041
assign ( resid 156 and name HG12
)
( resid 156 and name H
) 3.8 0.8 0.8 volume=0.358 peak=616 ppm1=1.259 ppm2=7.574
assign ( resid 156 and name HG13
)
( resid 156 and name H
) 3.9 0.8 0.8 volume=0.328 peak=617 ppm1=1.722 ppm2=7.573
assign ( resid 156 and name HB
)
( resid 156 and name H
) 4.0 0.8 0.8 volume=0.275 peak=618 ppm1=2.177 ppm2=7.565
assign ( resid 156 and name HA
)
( resid 156 and name H
) 4.2 0.8 0.8 volume=0.188 peak=619 ppm1=3.848 ppm2=7.577
assign ( resid 156 and name HG2#
)
( resid 157 and name H
) 4.1 0.8 0.8 volume=0.727 peak=620 ppm1=1.084 ppm2=8.614
assign ( resid 156 and name HG13
)
( resid 156 and name HA
) 3.6 0.7 0.7 volume=0.492 peak=621 ppm1=1.723 ppm2=3.850
assign ( resid 156 and name HG2#
)
( resid 156 and name HA
) 3.3 0.7 0.7 volume=2.455 peak=622 ppm1=1.086 ppm2=3.884
assign ( resid 121 and name HG13
)
( resid 121 and name HD1#
or resid 121 and name HG2#
) 3.1 0.6 0.6 volume=3.553 peak=623 ppm1=1.700 ppm2=1.258
assign ( resid 121 and name HA
)
( resid 121 and name HG2#
) 4.0 0.8 0.8 volume=0.847 peak=624 ppm1=4.283 ppm2=1.270
assign ( resid 121 and name HB
)
( resid 121 and name H
) 3.4 0.7 0.7 volume=0.688 peak=625 ppm1=2.315 ppm2=8.678
assign ( resid 121 and name HA
or resid 142 and name HA
)
( resid 121 and name H
or resid 142 and name H
) 3.9 0.8 0.8 volume=0.314 peak=626 ppm1=4.286 ppm2=8.669
assign ( resid 121 and name HA
)
( resid 123 and name H
or resid 124 and name H
) 4.0 0.8 0.8 volume=0.257 peak=627 ppm1=4.283 ppm2=8.225
assign ( resid 121 and name HB
)
( resid 124 and name HD#
) 4.4 0.9 0.9 volume=0.285 peak=628 ppm1=2.316 ppm2=7.403
assign ( resid 121 and name HG13
)
( resid 124 and name HD#
) 4.2 0.8 0.8 volume=0.365 peak=629 ppm1=1.699 ppm2=7.404
assign ( resid 121 and name HG12
)
( resid 124 and name HD#
) 4.2 0.8 0.8 volume=0.382 peak=630 ppm1=1.842 ppm2=7.401
assign ( resid 121 and name HG13
)
( resid 121 and name HB
) 3.1 0.6 0.6 volume=1.245 peak=631 ppm1=1.698 ppm2=2.317
assign ( resid 121 and name HA
or resid 142 and name HA
)
( resid 121 and name HB
or resid 142 and name HB
) 3.4 0.7 0.7 volume=0.681 peak=632 ppm1=4.283 ppm2=2.318
assign ( resid 121 and name HA
)
( resid 121 and name HG12
) 3.9 0.8 0.8 volume=0.305 peak=633 ppm1=4.281 ppm2=1.832
assign ( resid 121 and name HA
)
( resid 121 and name HG13
) 3.7 0.7 0.7 volume=0.453 peak=634 ppm1=4.283 ppm2=1.703
assign ( resid 135 and name HG12
)
( resid 135 and name H
) 3.6 0.7 0.7 volume=0.460 peak=635 ppm1=1.483 ppm2=8.186
assign ( resid 135 and name HG13
)
( resid 135 and name H
) 3.5 0.7 0.7 volume=0.554 peak=636 ppm1=2.087 ppm2=8.192
assign ( resid 135 and name HB
)
( resid 135 and name HD1#
or resid 135 and name HG2#
) 3.3 0.7 0.7 volume=2.620 peak=637 ppm1=2.338 ppm2=1.022
assign ( resid 135 and name HA
)
( resid 135 and name H
) 4.0 0.8 0.8 volume=0.268 peak=638 ppm1=3.589 ppm2=8.189
assign ( resid 135 and name HG12
)
( resid 136 and name H
) 4.4 0.9 0.9 volume=0.153 peak=639 ppm1=1.486 ppm2=7.993
assign ( resid 135 and name HG2#
)
( resid 136 and name H
) 3.7 0.7 0.7 volume=1.325 peak=640 ppm1=1.038 ppm2=7.986
assign ( resid 135 and name HB
)
( resid 135 and name HA
) 4.0 0.8 0.8 volume=0.276 peak=641 ppm1=2.343 ppm2=3.575
assign ( resid 135 and name HA
)
( resid 135 and name HB
) 4.0 0.8 0.8 volume=0.254 peak=642 ppm1=3.594 ppm2=2.342
assign ( resid 135 and name HA
)
( resid 138 and name HG1#
) 4.5 0.9 0.9 volume=0.377 peak=643 ppm1=3.593 ppm2=0.467
assign ( resid 173 and name HG13
)
( resid 173 and name H
) 4.0 0.8 0.8 volume=0.259 peak=644 ppm1=2.285 ppm2=7.841
assign ( resid 173 and name HG12
or resid 177 and name HG13
)
( resid 173 and name H
or resid 177 and name H
) 3.7 0.7 0.7 volume=0.386 peak=645 ppm1=1.358 ppm2=7.858
assign ( resid 173 and name HB
)
( resid 173 and name H
) 3.9 0.8 0.8 volume=0.312 peak=646 ppm1=2.296 ppm2=7.843
assign ( resid 173 and name HB
)
( resid 174 and name H
) 4.2 0.8 0.8 volume=0.191 peak=647 ppm1=2.288 ppm2=7.544
assign ( resid 173 and name HG2#
)
( resid 173 and name H
) 3.8 0.8 0.8 volume=1.059 peak=648 ppm1=0.991 ppm2=7.850
assign ( resid 173 and name HG12
)
( resid 173 and name HA
) 4.0 0.8 0.8 volume=0.282 peak=649 ppm1=1.358 ppm2=4.147
assign ( resid 173 and name HG13
)
( resid 173 and name HA
) 3.9 0.8 0.8 volume=0.312 peak=650 ppm1=2.282 ppm2=4.153
assign ( resid 173 and name HG12
)
( resid 173 and name HB
or resid 173 and name HG13
) 3.3 0.7 0.7 volume=0.786 peak=651 ppm1=1.358 ppm2=2.277
assign ( resid 173 and name HA
)
( resid 174 and name H
or resid 176 and name HD#
or resid 176 and name H
) 3.8 0.8 0.8 volume=0.452 peak=652 ppm1=4.148 ppm2=7.605
assign ( resid 177 and name HB
)
( resid 177 and name H
) 3.8 0.8 0.8 volume=0.346 peak=653 ppm1=2.227 ppm2=7.877
assign ( resid 177 and name HD1#
)
( resid 174 and name H
) 4.3 0.9 0.9 volume=0.477 peak=654 ppm1=0.757 ppm2=7.542
assign ( resid 177 and name HD1#
)
( resid 178 and name H
) 4.8 1.0 1.0 volume=0.272 peak=655 ppm1=0.757 ppm2=8.176
assign ( resid 177 and name HD1#
)
( resid 197 and name H
) 4.6 0.9 0.9 volume=0.345 peak=656 ppm1=0.757 ppm2=8.067
assign ( resid 177 and name HB
)
( resid 178 and name H
) 4.3 0.9 0.9 volume=0.162 peak=657 ppm1=2.235 ppm2=8.182
assign ( resid 177 and name HG12
)
( resid 177 and name H
) 4.0 0.8 0.8 volume=0.251 peak=658 ppm1=1.602 ppm2=7.877
assign ( resid 177 and name HB
)
( resid 176 and name H
) 4.0 0.8 0.8 volume=0.258 peak=659 ppm1=2.227 ppm2=7.546
assign ( resid 177 and name HD1#
)
( resid 174 and name HA
) 4.0 0.8 0.8 volume=0.818 peak=660 ppm1=0.757 ppm2=4.025
assign ( resid 177 and name HD1#
)
( resid 177 and name HA
) 3.7 0.7 0.7 volume=1.341 peak=661 ppm1=0.757 ppm2=3.823
assign ( resid 91 and name HB#
)
( resid 145 and name HE#
) 4.1 0.8 0.8 volume=1.981 peak=662 ppm1=1.211 ppm2=2.140
assign ( resid 177 and name HG2#
)
( resid 177 and name HB
) 3.5 0.7 0.7 volume=1.813 peak=663 ppm1=1.198 ppm2=2.202
assign ( resid 177 and name HB
)
( resid 177 and name HG12
) 3.7 0.7 0.7 volume=0.427 peak=664 ppm1=2.225 ppm2=1.611
assign ( resid 177 and name HG12
)
( resid 177 and name HG13
or resid 196 and name HB3
) 3.5 0.7 0.7 volume=0.545 peak=665 ppm1=1.601 ppm2=1.374
assign ( resid 156 and name HA
or resid 197 and name HA
)
( resid 157 and name H
or resid 200 and name H
) 4.2 0.8 0.8 volume=0.198 peak=666 ppm1=3.864 ppm2=8.604
assign ( resid 197 and name HG12
)
( resid 197 and name H
) 4.3 0.9 0.9 volume=0.169 peak=667 ppm1=1.600 ppm2=8.062
assign ( resid 197 and name HG13
)
( resid 197 and name H
) 4.2 0.8 0.8 volume=0.197 peak=668 ppm1=1.775 ppm2=8.064
assign ( resid 197 and name HD1#
)
( resid 76 and name HZ2
) 4.2 0.8 0.8 volume=0.620 peak=669 ppm1=1.085 ppm2=7.771
assign ( resid 197 and name HG12
)
( resid 197 and name HA
) 4.2 0.8 0.8 volume=0.200 peak=670 ppm1=1.597 ppm2=3.854
assign ( resid 149 and name HB#
)
( resid 160 and name HD#
) 4.7 0.9 0.9 volume=0.607 peak=671 ppm1=1.092 ppm2=7.051
assign ( resid 156 and name HG2#
)
( resid 159 and name H
) 4.5 0.9 0.9 volume=0.385 peak=672 ppm1=1.085 ppm2=7.712
assign ( resid 149 and name HB#
)
( resid 91 and name H
) 4.3 0.9 0.9 volume=0.525 peak=673 ppm1=1.086 ppm2=8.252
assign ( resid 211 and name HG12
)
( resid 211 and name H
) 4.2 0.8 0.8 volume=0.202 peak=674 ppm1=1.257 ppm2=8.472
assign ( resid 211 and name HG13
)
( resid 211 and name H
) 3.5 0.7 0.7 volume=0.597 peak=675 ppm1=1.958 ppm2=8.489
assign ( resid 211 and name HB
)
( resid 212 and name H
) 4.3 0.9 0.9 volume=0.168 peak=676 ppm1=2.070 ppm2=7.821
assign ( resid 83 and name HG2#
)
( resid 171 and name HH2
) 4.3 0.9 0.9 volume=0.519 peak=677 ppm1=0.861 ppm2=7.489
assign ( resid 83 and name HG2#
)
( resid 208 and name HD#
) 5.2 1.0 1.0 volume=0.327 peak=678 ppm1=0.861 ppm2=6.977
assign ( resid 74 and name HG2#
)
( resid 75 and name H
) 4.0 0.8 0.8 volume=0.834 peak=679 ppm1=0.860 ppm2=7.767
assign ( resid 211 and name HG2#
)
( resid 163 and name HA
or resid 212 and name HA
) 3.9 0.8 0.8 volume=0.934 peak=680 ppm1=0.848 ppm2=4.132
assign ( resid 211 and name HG2#
)
( resid 208 and name HA
or resid 211 and name HA
) 3.5 0.7 0.7 volume=1.875 peak=681 ppm1=0.847 ppm2=3.826
assign ( resid 211 and name HB
)
( resid 208 and name HA
or resid 211 and name HA
) 4.0 0.8 0.8 volume=0.262 peak=682 ppm1=2.075 ppm2=3.830
assign ( resid 156 and name HG12
)
( resid 156 and name HB
) 3.6 0.7 0.7 volume=0.526 peak=683 ppm1=1.259 ppm2=2.146
assign ( resid 211 and name HG12
)
( resid 211 and name HG13
) 3.6 0.7 0.7 volume=0.524 peak=684 ppm1=1.253 ppm2=1.986
assign ( resid 211 and name HA
)
( resid 211 and name H
) 3.9 0.8 0.8 volume=0.284 peak=685 ppm1=3.816 ppm2=8.467
assign ( resid 211 and name HB
)
( resid 166 and name HD1#
or resid 211 and name HG12
) 4.3 0.9 0.9 volume=0.238 peak=686 ppm1=2.078 ppm2=1.215
assign ( resid 4 and name HA
)
( resid 4 and name HD1#
) 4.2 0.8 0.8 volume=0.566 peak=687 ppm1=3.814 ppm2=0.669
assign ( resid 4 and name HA
)
( resid 7 and name H
) 4.2 0.8 0.8 volume=0.183 peak=688 ppm1=3.810 ppm2=7.501
assign ( resid 4 and name HA
)
( resid 4 and name HD2#
or resid 7 and name HD1#
or resid 7 and name HD2#
) 4.0 0.8 0.8 volume=0.831 peak=689 ppm1=3.812 ppm2=0.901
assign ( resid 4 and name HA
)
( resid 4 and name HB3
) 4.1 0.8 0.8 volume=0.222 peak=690 ppm1=3.813 ppm2=1.386
assign ( resid 4 and name HB2
)
( resid 4 and name HD1#
) 4.5 0.9 0.9 volume=0.364 peak=691 ppm1=2.028 ppm2=0.676
assign ( resid 4 and name HB2
)
( resid 4 and name HA
) 3.8 0.8 0.8 volume=0.338 peak=692 ppm1=2.031 ppm2=3.807
assign ( resid 4 and name HB3
)
( resid 4 and name HA
) 3.8 0.8 0.8 volume=0.364 peak=693 ppm1=1.380 ppm2=3.817
assign ( resid 93 and name HB2
)
( resid 93 and name H
) 3.9 0.8 0.8 volume=0.293 peak=694 ppm1=1.379 ppm2=7.460
assign ( resid 4 and name HB2
)
( resid 7 and name H
) 4.0 0.8 0.8 volume=0.268 peak=695 ppm1=2.026 ppm2=7.522
assign ( resid 4 and name HB3
)
( resid 4 and name HD2#
or resid 7 and name HD2#
) 3.6 0.7 0.7 volume=1.505 peak=696 ppm1=1.368 ppm2=0.902
assign ( resid 4 and name HB3
or resid 196 and name HB3
)
( resid 4 and name HB2
or resid 196 and name HG
) 3.3 0.7 0.7 volume=0.790 peak=697 ppm1=1.370 ppm2=2.060
assign ( resid 4 and name HG
)
( resid 4 and name H
) 3.4 0.7 0.7 volume=0.667 peak=698 ppm1=1.772 ppm2=8.167
assign ( resid 4 and name HG
)
( resid 4 and name HA
) 3.6 0.7 0.7 volume=0.535 peak=699 ppm1=1.788 ppm2=3.822
assign ( resid 7 and name HD1#
or resid 196 and name HD1#
)
( resid 7 and name HB3
or resid 177 and name HG2#
or resid 192 and name HG1#
or resid 192 and name HG2#
or resid 198 and name HG2#
) 3.2 0.6 0.6 volume=6.729 peak=700 ppm1=0.868 ppm2=1.158
assign ( resid 7 and name HD1#
)
( resid 7 and name H
) 3.7 0.7 0.7 volume=1.269 peak=701 ppm1=0.869 ppm2=7.514
assign ( resid 10 and name HB3
)
( resid 10 and name H
) 3.3 0.7 0.7 volume=0.841 peak=702 ppm1=2.061 ppm2=8.355
assign ( resid 10 and name HB2
)
( resid 10 and name H
) 3.4 0.7 0.7 volume=0.654 peak=703 ppm1=1.899 ppm2=8.359
assign ( resid 10 and name HB3
or resid 20 and name HB3
)
( resid 10 and name HA
or resid 20 and name HA
) 3.1 0.6 0.6 volume=1.161 peak=704 ppm1=2.061 ppm2=4.148
assign ( resid 10 and name HB2
or resid 89 and name HB3
)
( resid 10 and name HA
or resid 90 and name HA
) 3.3 0.7 0.7 volume=0.830 peak=705 ppm1=1.900 ppm2=4.161
assign ( resid 10 and name HA
or resid 202 and name HA
)
( resid 10 and name H
or resid 203 and name H
) 3.7 0.7 0.7 volume=0.411 peak=706 ppm1=4.170 ppm2=8.365
assign ( resid 10 and name HD1#
)
( resid 10 and name H
) 3.5 0.7 0.7 volume=1.675 peak=707 ppm1=0.990 ppm2=8.379
assign ( resid 16 and name HD1#
)
( resid 16 and name HA
or resid 20 and name HA
) 3.0 0.6 0.6 volume=4.406 peak=708 ppm1=0.995 ppm2=4.130
assign ( resid 10 and name HG
)
( resid 10 and name H
) 3.1 0.6 0.6 volume=1.160 peak=709 ppm1=1.972 ppm2=8.357
assign ( resid 10 and name HG
)
( resid 11 and name H
) 3.6 0.7 0.7 volume=0.472 peak=710 ppm1=1.975 ppm2=8.151
assign ( resid 10 and name HB2
)
( resid 10 and name HD1#
or resid 13 and name HG2#
) 3.3 0.7 0.7 volume=2.386 peak=711 ppm1=1.900 ppm2=0.978
assign ( resid 10 and name HB3
or resid 20 and name HB3
)
( resid 10 and name HD1#
or resid 13 and name HG2#
or resid 16 and name HD1#
or resid 16 and name HD2#
or resid 17 and name HG2#
or resid 20 and name HD2#
or resid 20 and name HD1#
) 3.0 0.6 0.6 volume=4.153 peak=712 ppm1=2.059 ppm2=0.970
assign ( resid 240 and name HB3
)
( resid 240 and name H
) 3.6 0.7 0.7 volume=0.457 peak=713 ppm1=1.780 ppm2=8.174
assign ( resid 240 and name HB2
)
( resid 240 and name H
) 3.7 0.7 0.7 volume=0.411 peak=714 ppm1=1.723 ppm2=8.182
assign ( resid 240 and name HB3
)
( resid 240 and name HA
) 3.0 0.6 0.6 volume=1.517 peak=715 ppm1=1.787 ppm2=4.340
assign ( resid 240 and name HB2
)
( resid 240 and name HA
) 3.2 0.6 0.6 volume=1.030 peak=716 ppm1=1.720 ppm2=4.335
assign ( resid 240 and name HG
)
( resid 240 and name HA
) 3.4 0.7 0.7 volume=0.672 peak=717 ppm1=1.776 ppm2=4.320
assign ( resid 240 and name HA
)
( resid 240 and name HD1#
) 3.8 0.8 0.8 volume=1.146 peak=718 ppm1=4.343 ppm2=0.993
assign ( resid 227 and name HB3
or resid 240 and name HB3
)
( resid 227 and name HD2#
or resid 227 and name HD1#
or resid 240 and name HD2#
or resid 240 and name HD1#
) 3.0 0.6 0.6 volume=4.437 peak=719 ppm1=1.770 ppm2=1.023
assign ( resid 227 and name HB2
or resid 240 and name HB2
)
( resid 227 and name HD2#
or resid 227 and name HD1#
or resid 240 and name HD2#
or resid 240 and name HD1#
) 3.1 0.6 0.6 volume=3.623 peak=720 ppm1=1.728 ppm2=1.022
assign ( resid 227 and name HA
)
( resid 227 and name HB3
or resid 227 and name HB2
or resid 227 and name HG
) 2.4 0.5 0.5 volume=5.933 peak=721 ppm1=4.496 ppm2=1.746
assign ( resid 227 and name HB3
)
( resid 227 and name HA
or resid 228 and name HA
) 2.8 0.6 0.6 volume=2.226 peak=722 ppm1=1.768 ppm2=4.496
assign ( resid 227 and name HB3
)
( resid 227 and name H
) 3.4 0.7 0.7 volume=0.650 peak=723 ppm1=1.770 ppm2=8.349
assign ( resid 227 and name HB2
)
( resid 227 and name H
) 3.6 0.7 0.7 volume=0.518 peak=724 ppm1=1.736 ppm2=8.344
assign ( resid 227 and name HA
)
( resid 227 and name H
) 3.6 0.7 0.7 volume=0.461 peak=725 ppm1=4.501 ppm2=8.348
assign ( resid 227 and name HG
)
( resid 227 and name HA
) 3.0 0.6 0.6 volume=1.406 peak=726 ppm1=1.779 ppm2=4.482
assign ( resid 227 and name HA
)
( resid 227 and name HD2#
or resid 227 and name HD1#
) 3.0 0.6 0.6 volume=4.595 peak=727 ppm1=4.496 ppm2=0.995
assign ( resid 219 and name HB2
)
( resid 219 and name H
or resid 220 and name H
) 3.3 0.7 0.7 volume=0.869 peak=728 ppm1=1.949 ppm2=8.017
assign ( resid 219 and name HB3
)
( resid 219 and name H
or resid 220 and name H
) 3.2 0.6 0.6 volume=0.919 peak=729 ppm1=1.625 ppm2=8.018
assign ( resid 187 and name HG
or resid 219 and name HG
)
( resid 187 and name H
or resid 188 and name H
or resid 219 and name H
) 2.9 0.6 0.6 volume=1.768 peak=730 ppm1=1.841 ppm2=8.022
assign ( resid 219 and name HB2
)
( resid 219 and name HA
or resid 220 and name HA
) 3.1 0.6 0.6 volume=1.128 peak=731 ppm1=1.952 ppm2=4.272
assign ( resid 219 and name HB3
)
( resid 219 and name HA
or resid 220 and name HA
) 3.1 0.6 0.6 volume=1.122 peak=732 ppm1=1.624 ppm2=4.265
assign ( resid 219 and name HD2#
)
( resid 218 and name HA
or resid 219 and name HA
) 3.4 0.7 0.7 volume=2.092 peak=733 ppm1=0.850 ppm2=4.262
assign ( resid 89 and name HA
)
( resid 89 and name HB2
) 3.4 0.7 0.7 volume=0.673 peak=734 ppm1=4.262 ppm2=1.390
assign ( resid 219 and name HA
)
( resid 219 and name HB3
or resid 221 and name HB#
) 3.3 0.7 0.7 volume=1.174 peak=735 ppm1=4.272 ppm2=1.637
assign ( resid 219 and name HA
)
( resid 219 and name HD1#
or resid 219 and name HD2#
) 3.3 0.7 0.7 volume=2.379 peak=736 ppm1=4.264 ppm2=0.828
assign ( resid 20 and name HA
or resid 213 and name HA
)
( resid 23 and name H
or resid 213 and name H
) 3.7 0.7 0.7 volume=0.426 peak=737 ppm1=4.125 ppm2=8.613
assign ( resid 16 and name HB3
or resid 213 and name HB3
)
( resid 17 and name H
or resid 213 and name H
) 3.6 0.7 0.7 volume=0.531 peak=738 ppm1=2.113 ppm2=8.637
assign ( resid 213 and name HB2
)
( resid 213 and name H
) 3.8 0.8 0.8 volume=0.373 peak=739 ppm1=1.842 ppm2=8.619
assign ( resid 213 and name HD1#
)
( resid 213 and name H
) 3.7 0.7 0.7 volume=1.346 peak=740 ppm1=1.098 ppm2=8.619
assign ( resid 213 and name HD2#
)
( resid 213 and name HA
) 3.0 0.6 0.6 volume=4.258 peak=741 ppm1=1.095 ppm2=4.126
assign ( resid 213 and name HD2#
)
( resid 213 and name H
) 3.7 0.7 0.7 volume=1.220 peak=742 ppm1=1.095 ppm2=8.623
assign ( resid 180 and name HB3
or resid 213 and name HB3
)
( resid 180 and name H
or resid 214 and name H
) 3.8 0.8 0.8 volume=0.355 peak=743 ppm1=2.110 ppm2=8.422
assign ( resid 213 and name HG
)
( resid 213 and name H
) 3.4 0.7 0.7 volume=0.675 peak=744 ppm1=2.180 ppm2=8.618
assign ( resid 180 and name HG
or resid 213 and name HG
)
( resid 180 and name H
or resid 214 and name H
) 3.6 0.7 0.7 volume=0.508 peak=745 ppm1=2.183 ppm2=8.391
assign ( resid 126 and name HG
or resid 213 and name HG
)
( resid 126 and name HA
or resid 213 and name HA
) 3.1 0.6 0.6 volume=1.146 peak=746 ppm1=2.182 ppm2=4.148
assign ( resid 16 and name HB3
or resid 196 and name HB2
or resid 213 and name HB3
)
( resid 16 and name HA
or resid 196 and name HA
or resid 213 and name HA
) 3.3 0.7 0.7 volume=0.855 peak=747 ppm1=2.112 ppm2=4.114
assign ( resid 213 and name HB2
)
( resid 213 and name HA
) 3.5 0.7 0.7 volume=0.592 peak=748 ppm1=1.841 ppm2=4.128
assign ( resid 213 and name HD2#
)
( resid 213 and name HG
or resid 213 and name HB3
) 3.0 0.6 0.6 volume=4.669 peak=749 ppm1=1.094 ppm2=2.163
assign ( resid 180 and name HB2
or resid 213 and name HB2
)
( resid 180 and name HB3
or resid 213 and name HG
or resid 213 and name HB3
) 3.1 0.6 0.6 volume=1.138 peak=750 ppm1=1.841 ppm2=2.123
assign ( resid 180 and name HB3
or resid 213 and name HB3
)
( resid 180 and name HB2
or resid 187 and name HB3
or resid 187 and name HB2
or resid 213 and name HB2
) 3.0 0.6 0.6 volume=1.594 peak=751 ppm1=2.111 ppm2=1.831
assign ( resid 56 and name HB3
or resid 180 and name HB2
or resid 213 and name HB2
)
( resid 56 and name HD2#
or resid 187 and name HD2#
or resid 187 and name HD1#
or resid 213 and name HD1#
or resid 213 and name HD2#
) 3.5 0.7 0.7 volume=1.687 peak=752 ppm1=1.838 ppm2=1.077
assign ( resid 202 and name HB3
)
( resid 202 and name H
) 4.2 0.8 0.8 volume=0.184 peak=753 ppm1=2.329 ppm2=8.471
assign ( resid 202 and name HB3
)
( resid 202 and name HA
) 4.2 0.8 0.8 volume=0.204 peak=754 ppm1=2.331 ppm2=4.163
assign ( resid 202 and name HA
)
( resid 202 and name H
) 4.0 0.8 0.8 volume=0.263 peak=755 ppm1=4.190 ppm2=8.491
assign ( resid 202 and name HB3
)
( resid 202 and name HD2#
or resid 203 and name HG1#
or resid 203 and name HG2#
or resid 206 and name HG1#
) 4.2 0.8 0.8 volume=0.585 peak=756 ppm1=2.318 ppm2=1.004
assign ( resid 202 and name HB3
)
( resid 198 and name HG1#
or resid 202 and name HD1#
) 4.2 0.8 0.8 volume=0.547 peak=757 ppm1=2.322 ppm2=0.891
assign ( resid 200 and name HA
)
( resid 200 and name H
) 4.2 0.8 0.8 volume=0.185 peak=758 ppm1=3.873 ppm2=8.548
assign ( resid 200 and name HA
)
( resid 200 and name HD1#
) 4.8 1.0 1.0 volume=0.263 peak=759 ppm1=3.871 ppm2=0.267
assign ( resid 200 and name HG
)
( resid 200 and name HD1#
) 4.1 0.8 0.8 volume=0.661 peak=760 ppm1=1.852 ppm2=0.272
assign ( resid 7 and name HG
or resid 200 and name HG
or resid 219 and name HG
)
( resid 7 and name HD1#
or resid 200 and name HD2#
or resid 219 and name HD1#
or resid 219 and name HD2#
) 2.8 0.6 0.6 volume=6.222 peak=761 ppm1=1.844 ppm2=0.842
assign ( resid 200 and name HA
)
( resid 200 and name HD2#
) 4.1 0.8 0.8 volume=0.719 peak=762 ppm1=3.866 ppm2=0.816
assign ( resid 200 and name HD2#
)
( resid 200 and name H
) 3.9 0.8 0.8 volume=0.899 peak=763 ppm1=0.811 ppm2=8.551
assign ( resid 200 and name HG
)
( resid 200 and name H
) 3.8 0.8 0.8 volume=0.369 peak=764 ppm1=1.851 ppm2=8.564
assign ( resid 200 and name HG
)
( resid 200 and name HA
) 3.5 0.7 0.7 volume=0.630 peak=765 ppm1=1.843 ppm2=3.852
assign ( resid 200 and name HD1#
)
( resid 173 and name HB
or resid 173 and name HG13
) 3.9 0.8 0.8 volume=0.913 peak=766 ppm1=0.274 ppm2=2.281
assign ( resid 200 and name HD1#
)
( resid 177 and name HG12
or resid 197 and name HG12
or resid 200 and name HB3
) 3.6 0.7 0.7 volume=1.375 peak=767 ppm1=0.274 ppm2=1.575
assign ( resid 200 and name HD1#
)
( resid 173 and name H
) 4.8 1.0 1.0 volume=0.279 peak=768 ppm1=0.275 ppm2=7.854
assign ( resid 200 and name HD1#
)
( resid 199 and name HD#
) 5.3 1.1 1.1 volume=0.281 peak=769 ppm1=0.274 ppm2=7.005
assign ( resid 200 and name HB2
)
( resid 197 and name HA
or resid 200 and name HA
) 4.5 0.9 0.9 volume=0.135 peak=770 ppm1=1.478 ppm2=3.856
assign ( resid 196 and name HD2#
)
( resid 196 and name H
) 3.7 0.7 0.7 volume=1.160 peak=771 ppm1=0.920 ppm2=8.498
assign ( resid 7 and name HD1#
or resid 196 and name HD1#
)
( resid 196 and name H
) 3.5 0.7 0.7 volume=1.695 peak=772 ppm1=0.869 ppm2=8.505
assign ( resid 196 and name HA
)
( resid 196 and name H
) 3.9 0.8 0.8 volume=0.283 peak=773 ppm1=4.081 ppm2=8.493
assign ( resid 7 and name HA
or resid 213 and name HA
)
( resid 10 and name H
or resid 214 and name H
) 4.0 0.8 0.8 volume=0.282 peak=774 ppm1=4.084 ppm2=8.405
assign ( resid 7 and name HA
or resid 196 and name HA
)
( resid 7 and name H
or resid 199 and name H
) 4.0 0.8 0.8 volume=0.253 peak=775 ppm1=4.079 ppm2=7.519
assign ( resid 141 and name HG
)
( resid 141 and name H
) 3.5 0.7 0.7 volume=0.572 peak=776 ppm1=2.065 ppm2=8.472
assign ( resid 16 and name HB3
or resid 196 and name HB2
)
( resid 13 and name HG12
or resid 177 and name HG13
or resid 196 and name HB3
) 3.4 0.7 0.7 volume=0.664 peak=777 ppm1=2.111 ppm2=1.400
assign ( resid 188 and name HA
)
( resid 188 and name HD2#
) 4.0 0.8 0.8 volume=0.793 peak=778 ppm1=4.777 ppm2=0.971
assign ( resid 188 and name HA
)
( resid 188 and name H
) 4.1 0.8 0.8 volume=0.212 peak=779 ppm1=4.809 ppm2=8.051
assign ( resid 188 and name HA
)
( resid 189 and name H
) 3.8 0.8 0.8 volume=0.346 peak=780 ppm1=4.807 ppm2=7.807
assign ( resid 188 and name HD2#
)
( resid 188 and name HA
) 3.9 0.8 0.8 volume=0.982 peak=781 ppm1=0.943 ppm2=4.786
assign ( resid 187 and name HB3
)
( resid 187 and name H
or resid 188 and name H
) 3.3 0.7 0.7 volume=0.789 peak=782 ppm1=1.784 ppm2=8.019
assign ( resid 187 and name HA
)
( resid 187 and name H
or resid 188 and name H
) 3.5 0.7 0.7 volume=0.601 peak=783 ppm1=4.467 ppm2=8.010
assign ( resid 187 and name HB2
)
( resid 187 and name H
or resid 188 and name H
) 3.4 0.7 0.7 volume=0.756 peak=784 ppm1=1.843 ppm2=8.019
assign ( resid 187 and name HB2
)
( resid 187 and name HA
) 3.4 0.7 0.7 volume=0.716 peak=785 ppm1=1.844 ppm2=4.467
assign ( resid 187 and name HB2
)
( resid 180 and name HD1#
or resid 187 and name HD2#
or resid 187 and name HD1#
or resid 188 and name HD1#
) 3.3 0.7 0.7 volume=2.412 peak=786 ppm1=1.844 ppm2=1.064
assign ( resid 187 and name HA
)
( resid 187 and name HD2#
or resid 187 and name HD1#
) 3.3 0.7 0.7 volume=2.346 peak=787 ppm1=4.476 ppm2=1.067
assign ( resid 180 and name HB3
or resid 213 and name HB3
)
( resid 180 and name HA
or resid 210 and name HA
or resid 214 and name HA
) 4.5 0.9 0.9 volume=0.132 peak=788 ppm1=2.107 ppm2=4.577
assign ( resid 180 and name HB2
or resid 213 and name HB2
)
( resid 180 and name HA
or resid 210 and name HA
or resid 214 and name HA
) 4.4 0.9 0.9 volume=0.145 peak=789 ppm1=1.840 ppm2=4.584
assign ( resid 180 and name HG
or resid 213 and name HG
)
( resid 180 and name HA
or resid 210 and name HA
) 3.6 0.7 0.7 volume=0.495 peak=790 ppm1=2.171 ppm2=4.566
assign ( resid 180 and name HA
)
( resid 180 and name HD2#
or resid 180 and name HD1#
or resid 188 and name HD1#
or resid 188 and name HD2#
) 3.8 0.8 0.8 volume=1.146 peak=791 ppm1=4.626 ppm2=0.999
assign ( resid 180 and name HA
)
( resid 180 and name H
) 3.4 0.7 0.7 volume=0.707 peak=792 ppm1=4.631 ppm2=8.397
assign ( resid 179 and name HD1#
)
( resid 179 and name H
) 4.0 0.8 0.8 volume=0.784 peak=793 ppm1=0.786 ppm2=8.128
assign ( resid 179 and name HD2#
)
( resid 124 and name HD#
) 4.4 0.9 0.9 volume=0.909 peak=794 ppm1=0.872 ppm2=7.408
assign ( resid 179 and name HB3
)
( resid 179 and name H
) 3.6 0.7 0.7 volume=0.498 peak=795 ppm1=1.957 ppm2=8.136
assign ( resid 179 and name HB3
)
( resid 180 and name H
) 4.1 0.8 0.8 volume=0.233 peak=796 ppm1=1.955 ppm2=8.385
assign ( resid 179 and name HB3
)
( resid 179 and name HA
) 3.9 0.8 0.8 volume=0.324 peak=797 ppm1=1.956 ppm2=4.189
assign ( resid 179 and name HB2
)
( resid 179 and name HA
) 3.7 0.7 0.7 volume=0.414 peak=798 ppm1=1.785 ppm2=4.183
assign ( resid 179 and name HA
)
( resid 178 and name HE3
) 4.0 0.8 0.8 volume=0.250 peak=799 ppm1=4.192 ppm2=6.862
assign ( resid 179 and name HB3
)
( resid 178 and name HE3
) 4.1 0.8 0.8 volume=0.234 peak=800 ppm1=1.950 ppm2=6.877
assign ( resid 179 and name HB2
)
( resid 178 and name HE3
) 4.1 0.8 0.8 volume=0.219 peak=801 ppm1=1.784 ppm2=6.874
assign ( resid 179 and name HG
)
( resid 178 and name HE3
) 4.0 0.8 0.8 volume=0.282 peak=802 ppm1=1.817 ppm2=6.887
assign ( resid 170 and name HG
)
( resid 170 and name HA
) 3.2 0.6 0.6 volume=0.987 peak=803 ppm1=2.221 ppm2=4.519
assign ( resid 170 and name HG
)
( resid 170 and name H
) 3.4 0.7 0.7 volume=0.756 peak=804 ppm1=2.221 ppm2=7.913
assign ( resid 170 and name HG
)
( resid 169 and name H
) 3.7 0.7 0.7 volume=0.433 peak=805 ppm1=2.221 ppm2=7.516
assign ( resid 170 and name HD2#
)
( resid 171 and name HD1
) 4.1 0.8 0.8 volume=0.711 peak=806 ppm1=1.152 ppm2=7.508
assign ( resid 170 and name HD2#
)
( resid 171 and name H
) 4.5 0.9 0.9 volume=0.411 peak=807 ppm1=1.153 ppm2=9.851
assign ( resid 170 and name HG
)
( resid 171 and name H
) 4.3 0.9 0.9 volume=0.173 peak=808 ppm1=2.222 ppm2=9.858
assign ( resid 170 and name HD2#
)
( resid 200 and name HD1#
) 5.0 1.0 1.0 volume=0.591 peak=809 ppm1=1.152 ppm2=0.265
assign ( resid 170 and name HA
)
( resid 169 and name HB
or resid 170 and name HG
or resid 173 and name HB
or resid 173 and name HG13
) 2.5 0.5 0.5 volume=4.893 peak=810 ppm1=4.518 ppm2=2.246
assign ( resid 170 and name HD2#
)
( resid 170 and name HB3
) 3.8 0.8 0.8 volume=1.104 peak=811 ppm1=1.151 ppm2=2.473
assign ( resid 87 and name HD1#
)
( resid 167 and name HG2#
) 4.6 0.9 0.9 volume=0.957 peak=812 ppm1=1.004 ppm2=-0.162
assign ( resid 166 and name HA
)
( resid 166 and name H
or resid 169 and name H
) 4.0 0.8 0.8 volume=0.264 peak=813 ppm1=4.035 ppm2=7.533
assign ( resid 27 and name HA
or resid 166 and name HA
)
( resid 28 and name H
or resid 170 and name H
) 3.5 0.7 0.7 volume=0.550 peak=814 ppm1=4.030 ppm2=7.909
assign ( resid 163 and name HG
)
( resid 163 and name HD2#
) 4.5 0.9 0.9 volume=0.412 peak=815 ppm1=1.688 ppm2=0.513
assign ( resid 163 and name HB3
)
( resid 163 and name HD2#
) 5.2 1.0 1.0 volume=0.156 peak=816 ppm1=1.643 ppm2=0.518
assign ( resid 163 and name HA
)
( resid 163 and name HD2#
) 5.2 1.0 1.0 volume=0.158 peak=817 ppm1=4.090 ppm2=0.523
assign ( resid 163 and name HB2
)
( resid 163 and name HD2#
) 5.2 1.0 1.0 volume=0.161 peak=818 ppm1=1.330 ppm2=0.533
assign ( resid 159 and name HB2
)
( resid 159 and name H
) 4.2 0.8 0.8 volume=0.205 peak=819 ppm1=1.675 ppm2=7.717
assign ( resid 159 and name HB3
)
( resid 159 and name H
) 4.3 0.9 0.9 volume=0.175 peak=820 ppm1=2.091 ppm2=7.717
assign ( resid 159 and name HA
)
( resid 159 and name H
or resid 162 and name H
) 4.0 0.8 0.8 volume=0.269 peak=821 ppm1=4.247 ppm2=7.716
assign ( resid 159 and name HG
)
( resid 159 and name H
) 4.0 0.8 0.8 volume=0.262 peak=822 ppm1=1.632 ppm2=7.714
assign ( resid 141 and name HD1#
)
( resid 141 and name HD2#
) 3.5 0.7 0.7 volume=5.391 peak=823 ppm1=0.993 ppm2=0.675
assign ( resid 141 and name HG
)
( resid 141 and name HD2#
) 3.8 0.8 0.8 volume=1.001 peak=824 ppm1=2.052 ppm2=0.666
assign ( resid 141 and name HD2#
)
( resid 142 and name H
) 4.2 0.8 0.8 volume=0.548 peak=825 ppm1=0.668 ppm2=8.652
assign ( resid 141 and name HB3
)
( resid 141 and name HD2#
) 5.1 1.0 1.0 volume=0.190 peak=826 ppm1=1.205 ppm2=0.662
assign ( resid 141 and name HB3
)
( resid 138 and name HB
or resid 141 and name HG
) 4.3 0.9 0.9 volume=0.165 peak=827 ppm1=1.201 ppm2=2.073
assign ( resid 141 and name HB3
)
( resid 87 and name HD1#
or resid 87 and name HD2#
or resid 141 and name HD1#
or resid 142 and name HG1#
or resid 142 and name HG2#
or resid 168 and name HG1#
or resid 168 and name HG2#
) 4.4 0.9 0.9 volume=0.466 peak=828 ppm1=1.207 ppm2=1.025
assign ( resid 137 and name HD2#
)
( resid 137 and name H
or resid 141 and name H
) 3.8 0.8 0.8 volume=1.018 peak=829 ppm1=1.190 ppm2=8.493
assign ( resid 137 and name HG
)
( resid 137 and name H
) 3.8 0.8 0.8 volume=0.364 peak=830 ppm1=1.635 ppm2=8.496
assign ( resid 137 and name HG
)
( resid 105 and name HA
or resid 137 and name HA
) 3.4 0.7 0.7 volume=0.657 peak=831 ppm1=1.630 ppm2=4.247
assign ( resid 137 and name HB3
)
( resid 137 and name H
) 4.4 0.9 0.9 volume=0.156 peak=832 ppm1=2.399 ppm2=8.502
assign ( resid 137 and name HB2
)
( resid 137 and name H
) 4.1 0.8 0.8 volume=0.217 peak=833 ppm1=1.574 ppm2=8.507
assign ( resid 137 and name HA
)
( resid 137 and name HD2#
) 3.6 0.7 0.7 volume=1.384 peak=834 ppm1=4.250 ppm2=1.197
assign ( resid 126 and name HD1#
)
( resid 126 and name H
) 3.7 0.7 0.7 volume=1.169 peak=835 ppm1=0.979 ppm2=7.213
assign ( resid 126 and name HD2#
)
( resid 126 and name H
) 3.6 0.7 0.7 volume=1.461 peak=836 ppm1=0.990 ppm2=7.196
assign ( resid 126 and name HA
)
( resid 126 and name H
) 4.1 0.8 0.8 volume=0.226 peak=837 ppm1=4.163 ppm2=7.206
assign ( resid 126 and name HG
or resid 213 and name HG
)
( resid 22 and name HD#
or resid 126 and name H
) 4.5 0.9 0.9 volume=0.182 peak=838 ppm1=2.178 ppm2=7.199
assign ( resid 110 and name HD1#
)
( resid 110 and name H
) 3.7 0.7 0.7 volume=1.202 peak=839 ppm1=0.956 ppm2=8.989
assign ( resid 110 and name HB3
)
( resid 110 and name H
) 3.5 0.7 0.7 volume=0.571 peak=840 ppm1=1.557 ppm2=8.979
assign ( resid 110 and name HB3
)
( resid 111 and name H
) 3.7 0.7 0.7 volume=0.450 peak=841 ppm1=1.558 ppm2=8.680
assign ( resid 16 and name HB2
or resid 110 and name HB2
)
( resid 17 and name H
or resid 111 and name H
) 3.6 0.7 0.7 volume=0.534 peak=842 ppm1=1.970 ppm2=8.671
assign ( resid 16 and name HB2
or resid 110 and name HB2
)
( resid 16 and name H
or resid 110 and name H
) 3.3 0.7 0.7 volume=0.836 peak=843 ppm1=1.969 ppm2=8.985
assign ( resid 110 and name HG
)
( resid 110 and name H
) 3.6 0.7 0.7 volume=0.526 peak=844 ppm1=2.027 ppm2=8.985
assign ( resid 110 and name HD2#
)
( resid 110 and name H
) 3.6 0.7 0.7 volume=1.454 peak=845 ppm1=1.015 ppm2=8.990
assign ( resid 110 and name HA
)
( resid 111 and name H
) 4.4 0.9 0.9 volume=0.142 peak=846 ppm1=4.302 ppm2=8.679
assign ( resid 110 and name HA
)
( resid 110 and name H
) 4.5 0.9 0.9 volume=0.127 peak=847 ppm1=4.308 ppm2=8.956
assign ( resid 110 and name HA
)
( resid 110 and name HD1#
or resid 110 and name HD2#
) 3.4 0.7 0.7 volume=2.246 peak=848 ppm1=4.294 ppm2=0.974
assign ( resid 16 and name HB2
or resid 110 and name HB2
)
( resid 16 and name HD1#
or resid 16 and name HD2#
or resid 17 and name HG2#
or resid 20 and name HD2#
or resid 20 and name HD1#
or resid 77 and name HG2#
or resid 107 and name HG1#
or resid 110 and name HD1#
or resid 110 and name HD2#
) 3.0 0.6 0.6 volume=4.003 peak=849 ppm1=1.970 ppm2=0.968
assign ( resid 110 and name HB3
or resid 137 and name HB2
)
( resid 77 and name HG2#
or resid 104 and name HD1#
or resid 107 and name HG1#
or resid 110 and name HD1#
or resid 110 and name HD2#
or resid 138 and name HG2#
) 3.1 0.6 0.6 volume=3.952 peak=850 ppm1=1.558 ppm2=0.965
assign ( resid 104 and name HA
)
( resid 104 and name H
or resid 107 and name H
) 4.2 0.8 0.8 volume=0.205 peak=851 ppm1=3.985 ppm2=8.368
assign ( resid 104 and name HD2#
or resid 170 and name HD1#
)
( resid 104 and name H
or resid 107 and name H
) 3.5 0.7 0.7 volume=1.804 peak=852 ppm1=1.059 ppm2=8.382
assign ( resid 104 and name HD2#
)
( resid 104 and name HA
or resid 136 and name HA2
) 3.0 0.6 0.6 volume=4.265 peak=853 ppm1=1.063 ppm2=4.008
assign ( resid 213 and name HD1#
or resid 213 and name HD2#
)
( resid 214 and name H
) 4.1 0.8 0.8 volume=0.672 peak=854 ppm1=1.098 ppm2=8.395
assign ( resid 104 and name HD1#
)
( resid 104 and name H
) 3.8 0.8 0.8 volume=1.095 peak=855 ppm1=0.944 ppm2=8.381
assign ( resid 104 and name HB3
)
( resid 104 and name H
) 4.1 0.8 0.8 volume=0.231 peak=856 ppm1=1.647 ppm2=8.387
assign ( resid 104 and name HB3
)
( resid 105 and name H
) 4.1 0.8 0.8 volume=0.213 peak=857 ppm1=1.651 ppm2=8.229
assign ( resid 93 and name HD1#
)
( resid 94 and name H
) 3.7 0.7 0.7 volume=1.224 peak=858 ppm1=0.775 ppm2=8.434
assign ( resid 93 and name HD2#
)
( resid 94 and name H
) 4.0 0.8 0.8 volume=0.767 peak=859 ppm1=0.756 ppm2=8.427
assign ( resid 93 and name HA
)
( resid 93 and name HD1#
or resid 93 and name HD2#
or resid 93 and name HB3
) 3.5 0.7 0.7 volume=1.052 peak=860 ppm1=4.164 ppm2=0.777
assign ( resid 93 and name HB3
)
( resid 94 and name H
) 4.1 0.8 0.8 volume=0.242 peak=861 ppm1=0.799 ppm2=8.437
assign ( resid 93 and name HB3
)
( resid 93 and name H
) 3.8 0.8 0.8 volume=0.339 peak=862 ppm1=0.798 ppm2=7.421
assign ( resid 4 and name HB3
or resid 93 and name HB2
)
( resid 5 and name H
or resid 94 and name H
) 3.7 0.7 0.7 volume=0.438 peak=863 ppm1=1.371 ppm2=8.448
assign ( resid 93 and name HB3
)
( resid 93 and name HA
) 3.9 0.8 0.8 volume=0.320 peak=864 ppm1=0.803 ppm2=4.169
assign ( resid 93 and name HB2
)
( resid 93 and name HA
) 3.6 0.7 0.7 volume=0.517 peak=865 ppm1=1.377 ppm2=4.175
assign ( resid 93 and name HB3
)
( resid 93 and name HB2
) 3.6 0.7 0.7 volume=0.475 peak=866 ppm1=0.800 ppm2=1.372
assign ( resid 93 and name HB2
)
( resid 93 and name HD1#
or resid 93 and name HD2#
or resid 93 and name HB3
) 3.3 0.7 0.7 volume=1.569 peak=867 ppm1=1.371 ppm2=0.775
assign ( resid 93 and name HG
)
( resid 93 and name H
) 3.7 0.7 0.7 volume=0.410 peak=868 ppm1=1.802 ppm2=7.449
assign ( resid 93 and name HD2#
)
( resid 92 and name H
or resid 101 and name H
) 4.9 1.0 1.0 volume=0.226 peak=869 ppm1=0.758 ppm2=7.766
assign ( resid 93 and name HD1#
)
( resid 92 and name H
) 4.5 0.9 0.9 volume=0.381 peak=870 ppm1=0.770 ppm2=7.754
assign ( resid 93 and name HD2#
)
( resid 93 and name H
) 4.0 0.8 0.8 volume=0.793 peak=871 ppm1=0.756 ppm2=7.418
assign ( resid 93 and name HD2#
)
( resid 98 and name HD#
) 4.6 0.9 0.9 volume=0.718 peak=872 ppm1=0.756 ppm2=7.350
assign ( resid 93 and name HD1#
)
( resid 93 and name H
) 3.9 0.8 0.8 volume=0.969 peak=873 ppm1=0.773 ppm2=7.421
assign ( resid 93 and name HD2#
)
( resid 93 and name HA
) 3.7 0.7 0.7 volume=1.177 peak=874 ppm1=0.756 ppm2=4.175
assign ( resid 93 and name HD1#
)
( resid 93 and name HA
) 3.4 0.7 0.7 volume=2.230 peak=875 ppm1=0.774 ppm2=4.170
assign ( resid 93 and name HD1#
)
( resid 145 and name HE#
) 4.0 0.8 0.8 volume=2.531 peak=876 ppm1=0.775 ppm2=2.149
assign ( resid 93 and name HD2#
)
( resid 93 and name HB2
) 3.8 0.8 0.8 volume=1.030 peak=877 ppm1=0.755 ppm2=1.350
assign ( resid 90 and name HG
)
( resid 90 and name H
) 3.9 0.8 0.8 volume=0.314 peak=878 ppm1=2.096 ppm2=7.827
assign ( resid 90 and name HA
)
( resid 90 and name H
) 4.1 0.8 0.8 volume=0.227 peak=879 ppm1=4.157 ppm2=7.845
assign ( resid 90 and name HB2
)
( resid 90 and name H
) 4.4 0.9 0.9 volume=0.154 peak=880 ppm1=1.653 ppm2=7.829
assign ( resid 90 and name HB3
)
( resid 90 and name H
) 4.4 0.9 0.9 volume=0.157 peak=881 ppm1=2.468 ppm2=7.828
assign ( resid 90 and name HB3
)
( resid 90 and name HA
) 4.1 0.8 0.8 volume=0.240 peak=882 ppm1=2.479 ppm2=4.162
assign ( resid 90 and name HB3
)
( resid 90 and name HG
or resid 159 and name HB3
) 4.0 0.8 0.8 volume=0.249 peak=883 ppm1=2.446 ppm2=2.099
assign ( resid 90 and name HB3
)
( resid 87 and name HD2#
or resid 90 and name HD1#
or resid 149 and name HB#
or resid 156 and name HG2#
) 4.2 0.8 0.8 volume=0.601 peak=884 ppm1=2.462 ppm2=1.077
assign ( resid 90 and name HB2
)
( resid 90 and name HB3
) 3.8 0.8 0.8 volume=0.330 peak=885 ppm1=1.649 ppm2=2.446
assign ( resid 40 and name HG
)
( resid 86 and name HD#
) 4.4 0.9 0.9 volume=0.294 peak=886 ppm1=2.080 ppm2=7.357
assign ( resid 20 and name HD2#
)
( resid 16 and name HA
or resid 20 and name HA
) 2.8 0.6 0.6 volume=6.893 peak=887 ppm1=0.946 ppm2=4.127
assign ( resid 90 and name HD2#
)
( resid 160 and name HB3
) 5.2 1.0 1.0 volume=0.159 peak=888 ppm1=0.925 ppm2=3.021
assign ( resid 90 and name HD2#
)
( resid 160 and name HB2
) 4.9 1.0 1.0 volume=0.223 peak=889 ppm1=0.929 ppm2=3.249
assign ( resid 90 and name HD1#
)
( resid 89 and name HB2
or resid 212 and name HB#
) 3.9 0.8 0.8 volume=1.331 peak=890 ppm1=1.109 ppm2=1.419
assign ( resid 89 and name HA
)
( resid 89 and name H
) 4.1 0.8 0.8 volume=0.214 peak=891 ppm1=4.262 ppm2=9.027
assign ( resid 89 and name HD2#
)
( resid 89 and name H
) 4.0 0.8 0.8 volume=0.762 peak=892 ppm1=0.629 ppm2=9.025
assign ( resid 89 and name HG
)
( resid 89 and name H
) 4.0 0.8 0.8 volume=0.252 peak=893 ppm1=1.268 ppm2=9.019
assign ( resid 89 and name HB2
)
( resid 89 and name H
) 4.4 0.9 0.9 volume=0.150 peak=894 ppm1=1.388 ppm2=9.026
assign ( resid 89 and name HG
)
( resid 89 and name HD1#
) 4.1 0.8 0.8 volume=0.675 peak=895 ppm1=1.265 ppm2=0.204
assign ( resid 89 and name HB2
)
( resid 89 and name HD1#
) 4.3 0.9 0.9 volume=0.538 peak=896 ppm1=1.385 ppm2=0.212
assign ( resid 89 and name HA
)
( resid 89 and name HD1#
) 4.7 0.9 0.9 volume=0.287 peak=897 ppm1=4.251 ppm2=0.206
assign ( resid 89 and name HA
)
( resid 89 and name HD2#
) 3.9 0.8 0.8 volume=0.897 peak=898 ppm1=4.252 ppm2=0.627
assign ( resid 89 and name HB3
)
( resid 89 and name HD1#
) 4.4 0.9 0.9 volume=0.456 peak=899 ppm1=1.900 ppm2=0.202
assign ( resid 89 and name HB3
)
( resid 89 and name HD2#
) 4.5 0.9 0.9 volume=0.385 peak=900 ppm1=1.902 ppm2=0.626
assign ( resid 203 and name HG2#
)
( resid 199 and name HE#
) 4.5 0.9 0.9 volume=0.789 peak=901 ppm1=1.061 ppm2=6.681
assign ( resid 87 and name HD1#
)
( resid 88 and name H
) 5.2 1.0 1.0 volume=0.165 peak=902 ppm1=1.005 ppm2=9.514
assign ( resid 87 and name HD1#
)
( resid 86 and name HE#
or resid 208 and name HD#
) 5.0 1.0 1.0 volume=0.436 peak=903 ppm1=0.999 ppm2=6.979
assign ( resid 87 and name HA
)
( resid 87 and name H
) 4.4 0.9 0.9 volume=0.154 peak=904 ppm1=4.406 ppm2=8.639
assign ( resid 82 and name HD1#
)
( resid 82 and name H
or resid 85 and name HD#
) 3.8 0.8 0.8 volume=1.319 peak=905 ppm1=0.993 ppm2=6.922
assign ( resid 82 and name HA
)
( resid 82 and name H
or resid 85 and name HD#
) 4.4 0.9 0.9 volume=0.203 peak=906 ppm1=4.441 ppm2=6.906
assign ( resid 82 and name HG
)
( resid 82 and name H
) 4.1 0.8 0.8 volume=0.227 peak=907 ppm1=2.309 ppm2=6.910
assign ( resid 82 and name HG
)
( resid 82 and name HD1#
) 3.8 0.8 0.8 volume=1.102 peak=908 ppm1=2.309 ppm2=1.014
assign ( resid 78 and name HD2#
)
( resid 78 and name H
) 3.9 0.8 0.8 volume=0.928 peak=909 ppm1=0.869 ppm2=7.693
assign ( resid 78 and name HD1#
)
( resid 78 and name H
) 3.7 0.7 0.7 volume=1.169 peak=910 ppm1=0.878 ppm2=7.689
assign ( resid 78 and name HD1#
)
( resid 79 and name H
) 4.9 1.0 1.0 volume=0.228 peak=911 ppm1=0.878 ppm2=9.943
assign ( resid 78 and name HD2#
)
( resid 79 and name H
) 5.1 1.0 1.0 volume=0.180 peak=912 ppm1=0.870 ppm2=9.942
assign ( resid 78 and name HA
)
( resid 46 and name HD1#
or resid 78 and name HD1#
or resid 78 and name HD2#
) 3.5 0.7 0.7 volume=1.628 peak=913 ppm1=4.518 ppm2=0.877
assign ( resid 78 and name HD2#
)
( resid 78 and name HA
) 4.1 0.8 0.8 volume=0.725 peak=914 ppm1=0.869 ppm2=4.510
assign ( resid 78 and name HD1#
)
( resid 78 and name HA
) 3.3 0.7 0.7 volume=2.546 peak=915 ppm1=0.878 ppm2=4.516
assign ( resid 78 and name HD2#
or resid 202 and name HD1#
)
( resid 78 and name HB3
or resid 198 and name HB
or resid 202 and name HB3
) 3.3 0.7 0.7 volume=2.281 peak=916 ppm1=0.869 ppm2=2.311
assign ( resid 78 and name HD2#
or resid 202 and name HD1#
)
( resid 78 and name HG
or resid 202 and name HB2
or resid 202 and name HG
) 3.0 0.6 0.6 volume=4.059 peak=917 ppm1=0.869 ppm2=2.137
assign ( resid 78 and name HB3
)
( resid 46 and name HD1#
or resid 74 and name HG2#
or resid 78 and name HD1#
or resid 78 and name HD2#
) 4.1 0.8 0.8 volume=0.634 peak=918 ppm1=2.319 ppm2=0.883
assign ( resid 78 and name HB2
)
( resid 46 and name HD1#
or resid 74 and name HG2#
or resid 78 and name HD1#
or resid 78 and name HD2#
) 4.0 0.8 0.8 volume=0.755 peak=919 ppm1=1.493 ppm2=0.880
assign ( resid 56 and name HD2#
)
( resid 56 and name HA
) 3.4 0.7 0.7 volume=1.967 peak=920 ppm1=1.053 ppm2=4.397
assign ( resid 56 and name HA
)
( resid 56 and name H
) 3.8 0.8 0.8 volume=0.382 peak=921 ppm1=4.405 ppm2=7.423
assign ( resid 56 and name HG
)
( resid 56 and name H
) 3.6 0.7 0.7 volume=0.465 peak=922 ppm1=2.174 ppm2=7.422
assign ( resid 56 and name HB3
)
( resid 56 and name H
) 4.2 0.8 0.8 volume=0.194 peak=923 ppm1=1.837 ppm2=7.407
assign ( resid 56 and name HB2
)
( resid 56 and name HA
) 4.3 0.9 0.9 volume=0.161 peak=924 ppm1=2.063 ppm2=4.385
assign ( resid 56 and name HB3
)
( resid 56 and name HA
) 4.2 0.8 0.8 volume=0.192 peak=925 ppm1=1.848 ppm2=4.401
assign ( resid 56 and name HA
)
( resid 56 and name HB2
) 3.7 0.7 0.7 volume=0.424 peak=926 ppm1=4.406 ppm2=2.097
assign ( resid 56 and name HA
)
( resid 56 and name HD1#
) 3.7 0.7 0.7 volume=1.348 peak=927 ppm1=4.405 ppm2=1.289
assign ( resid 56 and name HG
)
( resid 56 and name HD1#
) 3.8 0.8 0.8 volume=1.085 peak=928 ppm1=2.171 ppm2=1.294
assign ( resid 56 and name HA
)
( resid 56 and name HD2#
) 4.1 0.8 0.8 volume=0.699 peak=929 ppm1=4.403 ppm2=1.042
assign ( resid 40 and name HD1#
)
( resid 40 and name H
) 4.2 0.8 0.8 volume=0.575 peak=930 ppm1=0.402 ppm2=7.519
assign ( resid 40 and name HD1#
)
( resid 40 and name HB3
or resid 40 and name HG
or resid 43 and name HB
) 3.7 0.7 0.7 volume=1.327 peak=931 ppm1=0.401 ppm2=2.069
assign ( resid 40 and name HD1#
)
( resid 212 and name HB#
) 4.6 0.9 0.9 volume=1.066 peak=932 ppm1=0.400 ppm2=1.444
assign ( resid 40 and name HD2#
)
( resid 37 and name HD#
or resid 86 and name HD#
) 4.2 0.8 0.8 volume=1.201 peak=933 ppm1=0.512 ppm2=7.353
assign ( resid 40 and name HD2#
)
( resid 86 and name HE#
or resid 208 and name HD#
) 4.9 1.0 1.0 volume=0.470 peak=934 ppm1=0.512 ppm2=7.010
assign ( resid 40 and name HD2#
)
( resid 37 and name HA
) 4.3 0.9 0.9 volume=0.541 peak=935 ppm1=0.512 ppm2=4.284
assign ( resid 40 and name HD2#
)
( resid 22 and name HB3
) 4.4 0.9 0.9 volume=0.421 peak=936 ppm1=0.512 ppm2=3.539
assign ( resid 40 and name HG
)
( resid 40 and name HD2#
or resid 40 and name HD1#
) 4.4 0.9 0.9 volume=0.417 peak=937 ppm1=2.077 ppm2=0.493
assign ( resid 40 and name HA
)
( resid 40 and name HD1#
) 5.1 1.0 1.0 volume=0.181 peak=938 ppm1=4.160 ppm2=0.407
assign ( resid 40 and name HB3
)
( resid 40 and name HD2#
) 5.1 1.0 1.0 volume=0.192 peak=939 ppm1=2.057 ppm2=0.499
assign ( resid 20 and name HD2#
)
( resid 20 and name H
) 3.3 0.7 0.7 volume=2.391 peak=940 ppm1=0.945 ppm2=8.219
assign ( resid 20 and name HD1#
)
( resid 20 and name H
) 3.3 0.7 0.7 volume=2.474 peak=941 ppm1=0.950 ppm2=8.218
assign ( resid 20 and name HA
or resid 213 and name HA
)
( resid 20 and name H
or resid 21 and name H
or resid 216 and name H
) 3.3 0.7 0.7 volume=0.786 peak=942 ppm1=4.131 ppm2=8.224
assign ( resid 20 and name HB2
)
( resid 20 and name H
or resid 21 and name H
) 3.6 0.7 0.7 volume=0.526 peak=943 ppm1=1.539 ppm2=8.202
assign ( resid 20 and name HG
)
( resid 20 and name H
) 3.3 0.7 0.7 volume=0.811 peak=944 ppm1=2.073 ppm2=8.222
assign ( resid 20 and name HB2
)
( resid 20 and name HA
) 3.5 0.7 0.7 volume=0.560 peak=945 ppm1=1.540 ppm2=4.127
assign ( resid 20 and name HG
or resid 196 and name HG
)
( resid 16 and name HA
or resid 20 and name HA
or resid 196 and name HA
) 3.2 0.6 0.6 volume=0.995 peak=946 ppm1=2.075 ppm2=4.114
assign ( resid 20 and name HB3
)
( resid 21 and name H
) 3.4 0.7 0.7 volume=0.642 peak=947 ppm1=2.052 ppm2=8.184
assign ( resid 20 and name HA
)
( resid 20 and name HD2#
or resid 20 and name HD1#
) 3.0 0.6 0.6 volume=4.667 peak=948 ppm1=4.136 ppm2=0.966
assign ( resid 74 and name HD1#
)
( resid 73 and name HB3
) 4.0 0.8 0.8 volume=0.784 peak=949 ppm1=0.700 ppm2=2.475
assign ( resid 74 and name HD1#
)
( resid 74 and name HB
) 3.4 0.7 0.7 volume=2.023 peak=950 ppm1=0.700 ppm2=1.796
assign ( resid 74 and name HD1#
)
( resid 74 and name HG2#
) 3.1 0.6 0.6 volume=11.080 peak=951 ppm1=0.700 ppm2=0.884
assign ( resid 74 and name HD1#
)
( resid 70 and name HG2#
or resid 74 and name HG12
) 3.0 0.6 0.6 volume=7.165 peak=952 ppm1=0.700 ppm2=1.168
assign ( resid 74 and name HD1#
)
( resid 70 and name HG1#
or resid 74 and name HG13
) 3.0 0.6 0.6 volume=6.191 peak=953 ppm1=0.700 ppm2=1.418
assign ( resid 74 and name HD1#
)
( resid 74 and name HA
) 3.3 0.7 0.7 volume=2.301 peak=954 ppm1=0.700 ppm2=3.511
assign ( resid 74 and name HD1#
)
( resid 74 and name H
) 3.3 0.7 0.7 volume=2.722 peak=955 ppm1=0.700 ppm2=7.168
assign ( resid 74 and name HD1#
)
( resid 75 and name H
) 4.2 0.8 0.8 volume=0.555 peak=956 ppm1=0.700 ppm2=7.729
assign ( resid 13 and name HD1#
or resid 173 and name HD1#
)
( resid 13 and name HG12
or resid 173 and name HG12
) 2.8 0.6 0.6 volume=6.986 peak=957 ppm1=0.970 ppm2=1.384
assign ( resid 13 and name HD1#
)
( resid 13 and name HG13
) 2.8 0.6 0.6 volume=6.703 peak=958 ppm1=0.967 ppm2=2.070
assign ( resid 13 and name HD1#
or resid 173 and name HD1#
)
( resid 10 and name HA
or resid 173 and name HA
) 3.4 0.7 0.7 volume=1.960 peak=959 ppm1=0.970 ppm2=4.171
assign ( resid 13 and name HD1#
or resid 156 and name HD1#
)
( resid 13 and name HA
or resid 156 and name HA
) 3.4 0.7 0.7 volume=2.150 peak=960 ppm1=0.963 ppm2=3.851
assign ( resid 13 and name HD1#
)
( resid 14 and name H
) 4.0 0.8 0.8 volume=0.789 peak=961 ppm1=0.966 ppm2=8.829
assign ( resid 13 and name HD1#
)
( resid 13 and name H
) 3.4 0.7 0.7 volume=2.122 peak=962 ppm1=0.966 ppm2=9.010
assign ( resid 211 and name HG2#
)
( resid 163 and name HD1#
) 4.0 0.8 0.8 volume=2.271 peak=963 ppm1=0.846 ppm2=0.271
assign ( resid 211 and name HG2#
)
( resid 163 and name HD2#
) 4.8 1.0 1.0 volume=0.791 peak=964 ppm1=0.849 ppm2=0.523
assign ( resid 13 and name HG2#
)
( resid 13 and name H
) 3.4 0.7 0.7 volume=1.962 peak=965 ppm1=0.992 ppm2=9.010
assign ( resid 13 and name HG2#
)
( resid 14 and name H
) 3.8 0.8 0.8 volume=1.044 peak=966 ppm1=0.992 ppm2=8.848
assign ( resid 102 and name HG2#
)
( resid 81 and name HA
or resid 103 and name HB
or resid 106 and name HB
) 4.1 0.8 0.8 volume=0.709 peak=967 ppm1=1.016 ppm2=4.485
assign ( resid 77 and name HG2#
)
( resid 78 and name HA
) 4.1 0.8 0.8 volume=0.654 peak=968 ppm1=0.989 ppm2=4.539
assign ( resid 102 and name HG2#
)
( resid 102 and name HA
) 3.4 0.7 0.7 volume=2.021 peak=969 ppm1=1.018 ppm2=3.984
assign ( resid 13 and name HG2#
)
( resid 13 and name HA
) 3.3 0.7 0.7 volume=2.521 peak=970 ppm1=0.993 ppm2=3.841
assign ( resid 13 and name HG2#
or resid 43 and name HG2#
or resid 77 and name HG2#
)
( resid 10 and name HB3
or resid 13 and name HG13
or resid 43 and name HB
or resid 46 and name HG13
or resid 77 and name HG13
or resid 77 and name HB
) 2.7 0.5 0.5 volume=7.639 peak=971 ppm1=0.992 ppm2=2.074
assign ( resid 77 and name HD1#
)
( resid 110 and name H
) 5.1 1.0 1.0 volume=0.193 peak=972 ppm1=0.866 ppm2=8.989
assign ( resid 43 and name HD1#
or resid 77 and name HD1#
)
( resid 86 and name H
) 5.3 1.1 1.1 volume=0.141 peak=973 ppm1=0.865 ppm2=8.674
assign ( resid 77 and name HD1#
)
( resid 77 and name H
) 4.1 0.8 0.8 volume=0.673 peak=974 ppm1=0.866 ppm2=8.469
assign ( resid 43 and name HD1#
)
( resid 43 and name H
) 4.3 0.9 0.9 volume=0.540 peak=975 ppm1=0.849 ppm2=8.287
assign ( resid 77 and name HD1#
)
( resid 113 and name H
) 4.8 1.0 1.0 volume=0.264 peak=976 ppm1=0.867 ppm2=8.141
assign ( resid 43 and name HD1#
)
( resid 44 and name H
or resid 83 and name H
) 4.7 0.9 0.9 volume=0.302 peak=977 ppm1=0.844 ppm2=7.969
assign ( resid 43 and name HD1#
)
( resid 40 and name H
) 5.0 1.0 1.0 volume=0.212 peak=978 ppm1=0.855 ppm2=7.529
assign ( resid 77 and name HD1#
)
( resid 74 and name H
or resid 113 and name HE#
) 4.2 0.8 0.8 volume=0.771 peak=979 ppm1=0.865 ppm2=7.172
assign ( resid 77 and name HD1#
)
( resid 113 and name HD#
) 4.1 0.8 0.8 volume=1.335 peak=980 ppm1=0.865 ppm2=7.019
assign ( resid 77 and name HD1#
)
( resid 110 and name HA
) 4.1 0.8 0.8 volume=0.684 peak=981 ppm1=0.864 ppm2=4.298
assign ( resid 43 and name HD1#
)
( resid 40 and name HA
or resid 79 and name HB
) 4.3 0.9 0.9 volume=0.544 peak=982 ppm1=0.848 ppm2=4.159
assign ( resid 43 and name HD1#
or resid 77 and name HD1#
)
( resid 43 and name HA
or resid 77 and name HA
) 3.8 0.8 0.8 volume=1.057 peak=983 ppm1=0.858 ppm2=3.665
assign ( resid 77 and name HD1#
)
( resid 73 and name HB2
or resid 74 and name HA
) 3.8 0.8 0.8 volume=1.149 peak=984 ppm1=0.864 ppm2=3.518
assign ( resid 77 and name HD1#
)
( resid 113 and name HB3
or resid 113 and name HB2
) 4.7 0.9 0.9 volume=0.317 peak=985 ppm1=0.866 ppm2=3.341
assign ( resid 43 and name HD1#
or resid 77 and name HD1#
)
( resid 73 and name HB3
or resid 86 and name HB3
) 4.6 0.9 0.9 volume=0.338 peak=986 ppm1=0.861 ppm2=2.451
assign ( resid 77 and name HD1#
)
( resid 77 and name HG13
or resid 77 and name HB
) 3.1 0.6 0.6 volume=3.903 peak=987 ppm1=0.865 ppm2=2.039
assign ( resid 43 and name HD1#
)
( resid 39 and name HG2#
) 4.5 0.9 0.9 volume=1.127 peak=988 ppm1=0.849 ppm2=1.749
assign ( resid 77 and name HD1#
)
( resid 110 and name HB3
) 4.3 0.9 0.9 volume=0.503 peak=989 ppm1=0.864 ppm2=1.559
assign ( resid 77 and name HD1#
)
( resid 74 and name HG13
) 3.8 0.8 0.8 volume=1.078 peak=990 ppm1=0.864 ppm2=1.412
assign ( resid 43 and name HD1#
or resid 77 and name HD1#
)
( resid 106 and name HG2#
) 4.8 1.0 1.0 volume=0.788 peak=991 ppm1=0.861 ppm2=1.322
assign ( resid 43 and name HD1#
)
( resid 40 and name HD2#
) 5.6 1.1 1.1 volume=0.299 peak=992 ppm1=0.857 ppm2=0.533
assign ( resid 77 and name HG2#
)
( resid 77 and name H
) 3.8 0.8 0.8 volume=1.072 peak=993 ppm1=0.989 ppm2=8.431
assign ( resid 46 and name HD1#
)
( resid 47 and name H
) 4.4 0.9 0.9 volume=0.423 peak=994 ppm1=0.883 ppm2=6.897
assign ( resid 46 and name HD1#
)
( resid 78 and name HA
) 4.7 0.9 0.9 volume=0.312 peak=995 ppm1=0.884 ppm2=4.516
assign ( resid 46 and name HD1#
)
( resid 79 and name HA
) 4.9 1.0 1.0 volume=0.219 peak=996 ppm1=0.884 ppm2=4.372
assign ( resid 46 and name HD1#
)
( resid 43 and name HA
or resid 46 and name HA
) 3.7 0.7 0.7 volume=1.331 peak=997 ppm1=0.884 ppm2=3.634
assign ( resid 46 and name HD1#
)
( resid 78 and name HB3
or resid 82 and name HG
) 4.2 0.8 0.8 volume=0.606 peak=998 ppm1=0.884 ppm2=2.276
assign ( resid 46 and name HD1#
)
( resid 46 and name HB
or resid 46 and name HG13
) 3.4 0.7 0.7 volume=2.105 peak=999 ppm1=0.885 ppm2=2.055
assign ( resid 46 and name HD1#
)
( resid 46 and name HG12
or resid 79 and name HG2#
) 3.8 0.8 0.8 volume=1.579 peak=1000 ppm1=0.884 ppm2=1.709
assign ( resid 46 and name HG13
or resid 138 and name HB
)
( resid 46 and name HA
or resid 135 and name HA
) 3.7 0.7 0.7 volume=0.410 peak=1001 ppm1=2.076 ppm2=3.595
assign ( resid 162 and name HB2
)
( resid 159 and name HA
) 2.5 0.5 0.5 volume=3.954 peak=1002 ppm1=2.063 ppm2=4.291
assign ( resid 46 and name HG13
)
( resid 44 and name H
) 2.7 0.5 0.5 volume=2.808 peak=1003 ppm1=2.063 ppm2=7.993
assign ( resid 46 and name HG13
or resid 162 and name HB2
)
( resid 75 and name HB3
or resid 165 and name HB3
) 3.6 0.7 0.7 volume=0.464 peak=1004 ppm1=2.071 ppm2=3.242
assign ( resid 46 and name HD1#
)
( resid 46 and name H
) 3.8 0.8 0.8 volume=1.014 peak=1005 ppm1=0.884 ppm2=8.220
assign ( resid 46 and name HG2#
)
( resid 46 and name H
) 4.2 0.8 0.8 volume=0.623 peak=1006 ppm1=0.935 ppm2=8.221
assign ( resid 46 and name HG2#
)
( resid 46 and name HB
) 3.7 0.7 0.7 volume=1.235 peak=1007 ppm1=0.936 ppm2=1.994
assign ( resid 46 and name HG2#
)
( resid 78 and name HB3
) 4.3 0.9 0.9 volume=0.476 peak=1008 ppm1=0.943 ppm2=2.300
assign ( resid 74 and name HA
)
( resid 74 and name HD1#
) 4.1 0.8 0.8 volume=0.637 peak=1009 ppm1=3.513 ppm2=0.694
assign ( resid 74 and name HA
)
( resid 74 and name HG2#
or resid 77 and name HD1#
or resid 78 and name HD1#
or resid 78 and name HD2#
) 3.7 0.7 0.7 volume=1.204 peak=1010 ppm1=3.514 ppm2=0.868
assign ( resid 74 and name HA
)
( resid 70 and name HG1#
or resid 74 and name HG13
) 4.2 0.8 0.8 volume=0.310 peak=1011 ppm1=3.510 ppm2=1.426
assign ( resid 74 and name HA
)
( resid 70 and name HG2#
or resid 74 and name HG12
) 4.2 0.8 0.8 volume=0.279 peak=1012 ppm1=3.513 ppm2=1.199
assign ( resid 74 and name HB
)
( resid 74 and name HG2#
or resid 78 and name HD1#
or resid 78 and name HD2#
) 4.0 0.8 0.8 volume=0.814 peak=1013 ppm1=1.819 ppm2=0.872
assign ( resid 74 and name HB
)
( resid 70 and name HG2#
or resid 74 and name HG12
) 4.2 0.8 0.8 volume=0.302 peak=1014 ppm1=1.818 ppm2=1.191
assign ( resid 74 and name HB
)
( resid 50 and name HB#
or resid 70 and name HG1#
or resid 74 and name HG13
) 4.1 0.8 0.8 volume=0.392 peak=1015 ppm1=1.817 ppm2=1.433
assign ( resid 74 and name HG12
)
( resid 74 and name HD1#
) 3.9 0.8 0.8 volume=0.956 peak=1016 ppm1=1.216 ppm2=0.696
assign ( resid 74 and name HG12
)
( resid 74 and name H
or resid 113 and name HE#
) 4.0 0.8 0.8 volume=0.332 peak=1017 ppm1=1.215 ppm2=7.183
assign ( resid 74 and name HG12
)
( resid 70 and name HG1#
or resid 74 and name HG13
) 3.5 0.7 0.7 volume=0.941 peak=1018 ppm1=1.218 ppm2=1.427
assign ( resid 74 and name HG12
)
( resid 74 and name HB
) 3.1 0.6 0.6 volume=1.169 peak=1019 ppm1=1.206 ppm2=1.839
assign ( resid 74 and name HG13
)
( resid 74 and name HD1#
) 3.9 0.8 0.8 volume=0.970 peak=1020 ppm1=1.442 ppm2=0.695
assign ( resid 74 and name HG13
)
( resid 74 and name H
or resid 113 and name HE#
) 4.0 0.8 0.8 volume=0.337 peak=1021 ppm1=1.443 ppm2=7.179
assign ( resid 74 and name HG13
)
( resid 70 and name HG2#
or resid 74 and name HG12
) 3.4 0.7 0.7 volume=1.109 peak=1022 ppm1=1.444 ppm2=1.197
assign ( resid 74 and name HG13
)
( resid 74 and name HG2#
or resid 77 and name HD1#
or resid 78 and name HD1#
or resid 78 and name HD2#
) 3.9 0.8 0.8 volume=0.852 peak=1023 ppm1=1.436 ppm2=0.877
assign ( resid 74 and name HG13
)
( resid 73 and name HB2
or resid 74 and name HA
) 3.9 0.8 0.8 volume=0.307 peak=1024 ppm1=1.440 ppm2=3.521
assign ( resid 74 and name HG2#
)
( resid 74 and name H
) 3.7 0.7 0.7 volume=1.225 peak=1025 ppm1=0.868 ppm2=7.191
assign ( resid 74 and name HG2#
)
( resid 74 and name HA
) 3.4 0.7 0.7 volume=2.064 peak=1026 ppm1=0.868 ppm2=3.513
assign ( resid 177 and name HD1#
)
( resid 200 and name HD1#
) 3.9 0.8 0.8 volume=2.570 peak=1027 ppm1=0.757 ppm2=0.276
assign ( resid 121 and name HD1#
)
( resid 122 and name HG2
) 4.1 0.8 0.8 volume=0.725 peak=1028 ppm1=1.203 ppm2=2.478
assign ( resid 121 and name HD1#
)
( resid 121 and name HB
) 3.4 0.7 0.7 volume=2.264 peak=1029 ppm1=1.204 ppm2=2.305
assign ( resid 121 and name HD1#
)
( resid 121 and name HG12
) 3.1 0.6 0.6 volume=3.961 peak=1030 ppm1=1.204 ppm2=1.856
assign ( resid 121 and name HD1#
)
( resid 121 and name HG13
) 3.1 0.6 0.6 volume=3.882 peak=1031 ppm1=1.203 ppm2=1.695
assign ( resid 121 and name HD1#
)
( resid 121 and name HA
) 3.6 0.7 0.7 volume=1.600 peak=1032 ppm1=1.204 ppm2=4.304
assign ( resid 121 and name HD1#
)
( resid 124 and name HD#
) 4.3 0.9 0.9 volume=0.989 peak=1033 ppm1=1.204 ppm2=7.406
assign ( resid 121 and name HD1#
)
( resid 121 and name H
) 4.2 0.8 0.8 volume=0.569 peak=1034 ppm1=1.203 ppm2=8.673
assign ( resid 55 and name HB#
)
( resid 53 and name H
or resid 55 and name H
) 3.7 0.7 0.7 volume=1.303 peak=1035 ppm1=0.189 ppm2=8.420
assign ( resid 55 and name HB#
)
( resid 9 and name HE3
or resid 54 and name H
) 4.4 0.9 0.9 volume=0.437 peak=1036 ppm1=0.189 ppm2=7.695
assign ( resid 55 and name HB#
)
( resid 56 and name H
) 4.1 0.8 0.8 volume=0.663 peak=1037 ppm1=0.189 ppm2=7.418
assign ( resid 55 and name HB#
)
( resid 55 and name HA
) 4.0 0.8 0.8 volume=0.802 peak=1038 ppm1=0.190 ppm2=4.072
assign ( resid 55 and name HB#
)
( resid 52 and name HA
) 3.8 0.8 0.8 volume=1.151 peak=1039 ppm1=0.189 ppm2=3.618
assign ( resid 55 and name HB#
)
( resid 5 and name HG2#
or resid 56 and name HB3
) 4.4 0.9 0.9 volume=0.634 peak=1040 ppm1=0.188 ppm2=1.875
assign ( resid 55 and name HB#
)
( resid 8 and name HD#
or resid 9 and name HH2
) 4.5 0.9 0.9 volume=0.517 peak=1041 ppm1=0.188 ppm2=7.118
assign ( resid 55 and name HB#
)
( resid 52 and name HB#
) 5.1 1.0 1.0 volume=0.547 peak=1042 ppm1=0.189 ppm2=1.595
assign ( resid 55 and name HB#
)
( resid 56 and name HD1#
) 5.2 1.0 1.0 volume=0.491 peak=1043 ppm1=0.188 ppm2=1.291
assign ( resid 185 and name HG2#
)
( resid 185 and name HB
) 3.1 0.6 0.6 volume=3.635 peak=1044 ppm1=1.286 ppm2=2.559
assign ( resid 163 and name HD1#
)
( resid 40 and name HD2#
or resid 163 and name HD2#
) 4.1 0.8 0.8 volume=1.921 peak=1045 ppm1=0.273 ppm2=0.511
assign ( resid 100 and name HG2#
)
( resid 100 and name HG12
or resid 100 and name HB
) 3.0 0.6 0.6 volume=4.726 peak=1046 ppm1=0.710 ppm2=1.981
assign ( resid 100 and name HG2#
)
( resid 101 and name H
) 3.6 0.7 0.7 volume=1.575 peak=1047 ppm1=0.710 ppm2=7.833
assign ( resid 100 and name HG2#
)
( resid 140 and name HD#
) 5.0 1.0 1.0 volume=0.436 peak=1048 ppm1=0.710 ppm2=7.164
assign ( resid 100 and name HG2#
)
( resid 100 and name HA
) 3.3 0.7 0.7 volume=2.428 peak=1049 ppm1=0.710 ppm2=3.744
assign ( resid 167 and name HG2#
)
( resid 134 and name HE#
or resid 166 and name H
or resid 171 and name HE3
or resid 171 and name HH2
or resid 171 and name HD1
) 4.1 0.8 0.8 volume=0.718 peak=1050 ppm1=-0.160 ppm2=7.507
assign ( resid 172 and name HB#
)
( resid 169 and name HA
) 4.0 0.8 0.8 volume=0.827 peak=1051 ppm1=1.950 ppm2=3.794
assign ( resid 172 and name HB#
)
( resid 134 and name HE#
or resid 176 and name HE#
) 3.9 0.8 0.8 volume=1.721 peak=1052 ppm1=1.949 ppm2=7.460
assign ( resid 172 and name HB#
)
( resid 172 and name H
) 3.3 0.7 0.7 volume=2.482 peak=1053 ppm1=1.949 ppm2=7.737
assign ( resid 12 and name HB#
)
( resid 9 and name HE3
) 3.9 0.8 0.8 volume=0.968 peak=1054 ppm1=1.808 ppm2=7.697
assign ( resid 29 and name HB#
)
( resid 29 and name H
or resid 37 and name HD#
) 3.2 0.6 0.6 volume=3.983 peak=1055 ppm1=1.476 ppm2=7.325
assign ( resid 29 and name HB#
)
( resid 37 and name HE#
) 4.2 0.8 0.8 volume=1.103 peak=1056 ppm1=1.476 ppm2=6.865
assign ( resid 29 and name HB#
)
( resid 30 and name H
) 3.8 0.8 0.8 volume=1.149 peak=1057 ppm1=1.476 ppm2=8.871
assign ( resid 29 and name HB#
)
( resid 34 and name H
) 4.5 0.9 0.9 volume=0.402 peak=1058 ppm1=1.475 ppm2=8.341
assign ( resid 29 and name HB#
)
( resid 28 and name H
) 4.1 0.8 0.8 volume=0.657 peak=1059 ppm1=1.476 ppm2=7.907
assign ( resid 29 and name HB#
)
( resid 30 and name HA3
or resid 30 and name HA2
) 3.7 0.7 0.7 volume=1.324 peak=1060 ppm1=1.477 ppm2=4.180
assign ( resid 29 and name HB#
)
( resid 33 and name HG3
or resid 33 and name HG2
) 3.5 0.7 0.7 volume=1.890 peak=1061 ppm1=1.476 ppm2=2.504
assign ( resid 5 and name HG2#
)
( resid 5 and name HB
) 3.3 0.7 0.7 volume=2.461 peak=1062 ppm1=1.908 ppm2=4.839
assign ( resid 5 and name HG2#
)
( resid 2 and name HA
or resid 5 and name HA
) 3.4 0.7 0.7 volume=2.051 peak=1063 ppm1=1.908 ppm2=4.333
assign ( resid 5 and name HG2#
)
( resid 55 and name HA
) 3.9 0.8 0.8 volume=0.889 peak=1064 ppm1=1.907 ppm2=4.082
assign ( resid 5 and name HG2#
)
( resid 5 and name H
) 3.4 0.7 0.7 volume=2.117 peak=1065 ppm1=1.908 ppm2=8.437
assign ( resid 5 and name HG2#
)
( resid 6 and name H
or resid 60 and name HZ2
) 3.5 0.7 0.7 volume=1.887 peak=1066 ppm1=1.908 ppm2=7.726
assign ( resid 5 and name HG2#
)
( resid 9 and name HZ2
) 3.3 0.7 0.7 volume=2.376 peak=1067 ppm1=1.908 ppm2=7.520
assign ( resid 5 and name HG2#
)
( resid 8 and name HD#
) 4.4 0.9 0.9 volume=0.910 peak=1068 ppm1=1.908 ppm2=7.129
assign ( resid 64 and name HB#
or resid 133 and name HB#
)
( resid 65 and name H
or resid 134 and name H
) 3.0 0.6 0.6 volume=4.378 peak=1069 ppm1=1.647 ppm2=8.589
assign ( resid 23 and name HB#
)
( resid 22 and name H
or resid 24 and name H
or resid 25 and name H
) 3.4 0.7 0.7 volume=2.236 peak=1070 ppm1=1.699 ppm2=8.777
assign ( resid 114 and name HB#
)
( resid 115 and name H
) 3.7 0.7 0.7 volume=1.177 peak=1071 ppm1=1.417 ppm2=8.679
assign ( resid 121 and name HG2#
)
( resid 121 and name H
) 3.4 0.7 0.7 volume=1.933 peak=1072 ppm1=1.293 ppm2=8.680
assign ( resid 21 and name HB#
)
( resid 22 and name H
or resid 25 and name H
) 3.4 0.7 0.7 volume=2.195 peak=1073 ppm1=1.521 ppm2=8.736
assign ( resid 21 and name HB#
)
( resid 21 and name H
) 3.1 0.6 0.6 volume=3.345 peak=1074 ppm1=1.521 ppm2=8.174
assign ( resid 131 and name HB#
)
( resid 131 and name H
) 3.4 0.7 0.7 volume=2.146 peak=1075 ppm1=1.209 ppm2=8.717
assign ( resid 111 and name HB#
)
( resid 111 and name H
or resid 115 and name H
) 3.3 0.7 0.7 volume=2.334 peak=1076 ppm1=1.577 ppm2=8.680
assign ( resid 111 and name HB#
)
( resid 129 and name H
or resid 130 and name H
) 3.6 0.7 0.7 volume=1.396 peak=1077 ppm1=1.577 ppm2=8.071
assign ( resid 221 and name HB#
)
( resid 218 and name HA
or resid 219 and name HA
) 3.1 0.6 0.6 volume=3.969 peak=1078 ppm1=1.638 ppm2=4.250
assign ( resid 221 and name HB#
)
( resid 221 and name HA
or resid 222 and name HA
) 2.5 0.5 0.5 volume=13.314 peak=1079 ppm1=1.637 ppm2=4.439
assign ( resid 221 and name HB#
)
( resid 221 and name H
) 2.7 0.5 0.5 volume=8.494 peak=1080 ppm1=1.637 ppm2=7.851
assign ( resid 48 and name HB#
or resid 64 and name HB#
or resid 133 and name HB#
)
( resid 45 and name HA2
or resid 64 and name HA
or resid 104 and name HA
) 2.9 0.6 0.6 volume=5.382 peak=1081 ppm1=1.647 ppm2=4.013
assign ( resid 111 and name HB#
)
( resid 111 and name HA
) 3.3 0.7 0.7 volume=2.459 peak=1082 ppm1=1.578 ppm2=3.989
assign ( resid 52 and name HB#
)
( resid 49 and name HA
or resid 52 and name HA
) 3.1 0.6 0.6 volume=3.443 peak=1083 ppm1=1.596 ppm2=3.599
assign ( resid 116 and name HB#
)
( resid 73 and name HD#
or resid 113 and name HD#
) 4.2 0.8 0.8 volume=1.096 peak=1084 ppm1=1.600 ppm2=7.018
assign ( resid 216 and name HB#
)
( resid 37 and name HE#
) 5.2 1.0 1.0 volume=0.320 peak=1085 ppm1=1.685 ppm2=6.875
assign ( resid 179 and name HD1#
)
( resid 124 and name HE#
or resid 178 and name HE3
) 3.5 0.7 0.7 volume=2.270 peak=1086 ppm1=0.787 ppm2=6.878
assign ( resid 179 and name HD2#
)
( resid 124 and name HE#
or resid 178 and name HE3
) 3.6 0.7 0.7 volume=1.947 peak=1087 ppm1=0.872 ppm2=6.889
assign ( resid 213 and name HD1#
or resid 213 and name HD2#
)
( resid 37 and name HE#
) 3.9 0.8 0.8 volume=1.696 peak=1088 ppm1=1.097 ppm2=6.866
assign ( resid 109 and name HE#
)
( resid 109 and name H
or resid 171 and name HE3
or resid 171 and name HH2
) 3.5 0.7 0.7 volume=1.682 peak=1089 ppm1=1.458 ppm2=7.528
assign ( resid 186 and name HB#
)
( resid 186 and name H
or resid 187 and name H
or resid 188 and name H
) 3.1 0.6 0.6 volume=3.328 peak=1090 ppm1=1.497 ppm2=8.018
assign ( resid 186 and name HB#
)
( resid 186 and name HA
) 3.2 0.6 0.6 volume=3.243 peak=1091 ppm1=1.496 ppm2=3.431
assign ( resid 186 and name HB#
)
( resid 185 and name HA
) 3.3 0.7 0.7 volume=2.453 peak=1092 ppm1=1.496 ppm2=4.283
assign ( resid 177 and name HG2#
)
( resid 177 and name HG12
or resid 197 and name HG12
) 3.6 0.7 0.7 volume=1.548 peak=1093 ppm1=1.198 ppm2=1.590
assign ( resid 149 and name HB#
or resid 156 and name HG2#
)
( resid 91 and name HA
) 3.7 0.7 0.7 volume=1.166 peak=1094 ppm1=1.090 ppm2=3.641
assign ( resid 149 and name HB#
or resid 156 and name HG2#
)
( resid 160 and name HB2
) 3.9 0.8 0.8 volume=0.879 peak=1095 ppm1=1.084 ppm2=3.295
assign ( resid 156 and name HG2#
)
( resid 90 and name HG
or resid 156 and name HB
) 3.2 0.6 0.6 volume=3.208 peak=1096 ppm1=1.080 ppm2=2.150
assign ( resid 149 and name HB#
or resid 156 and name HG2#
)
( resid 90 and name HB2
or resid 156 and name HG13
or resid 159 and name HB2
) 3.3 0.7 0.7 volume=2.670 peak=1097 ppm1=1.078 ppm2=1.713
assign ( resid 173 and name HG2#
)
( resid 173 and name HA
) 3.6 0.7 0.7 volume=1.386 peak=1098 ppm1=0.991 ppm2=4.150
assign ( resid 49 and name HA
)
( resid 52 and name H
) 3.9 0.8 0.8 volume=0.317 peak=1099 ppm1=3.600 ppm2=8.335
assign ( resid 17 and name HA
or resid 192 and name HA
)
( resid 20 and name H
or resid 21 and name H
or resid 193 and name H
) 4.0 0.8 0.8 volume=0.277 peak=1100 ppm1=3.602 ppm2=8.200
assign ( resid 49 and name HA
)
( resid 50 and name H
) 4.1 0.8 0.8 volume=0.223 peak=1101 ppm1=3.597 ppm2=8.536
assign ( resid 17 and name HA
)
( resid 17 and name H
) 3.6 0.7 0.7 volume=0.496 peak=1102 ppm1=3.605 ppm2=8.660
assign ( resid 149 and name HB#
)
( resid 149 and name H
) 3.4 0.7 0.7 volume=2.033 peak=1103 ppm1=1.091 ppm2=7.962
assign ( resid 102 and name HG2#
or resid 135 and name HG2#
)
( resid 105 and name H
or resid 135 and name H
) 3.5 0.7 0.7 volume=1.711 peak=1104 ppm1=1.032 ppm2=8.192
assign ( resid 212 and name HB#
)
( resid 213 and name HG
) 4.0 0.8 0.8 volume=0.741 peak=1105 ppm1=1.456 ppm2=2.124
assign ( resid 212 and name HB#
)
( resid 212 and name H
) 3.6 0.7 0.7 volume=1.600 peak=1106 ppm1=1.455 ppm2=7.818
assign ( resid 21 and name HB#
or resid 195 and name HB#
)
( resid 18 and name HA2
or resid 18 and name HA3
or resid 192 and name HA
) 3.6 0.7 0.7 volume=1.566 peak=1107 ppm1=1.532 ppm2=3.590
assign ( resid 21 and name HB#
)
( resid 210 and name HZ
) 3.4 0.7 0.7 volume=1.974 peak=1108 ppm1=1.521 ppm2=7.087
assign ( resid 21 and name HB#
)
( resid 22 and name HD#
or resid 210 and name HE#
) 4.0 0.8 0.8 volume=1.614 peak=1109 ppm1=1.521 ppm2=7.239
assign ( resid 80 and name HG2#
)
( resid 171 and name HH2
) 4.2 0.8 0.8 volume=0.547 peak=1110 ppm1=0.445 ppm2=7.480
assign ( resid 79 and name HG2#
)
( resid 79 and name HB
) 4.3 0.9 0.9 volume=0.543 peak=1111 ppm1=1.713 ppm2=4.207
assign ( resid 54 and name HE#
)
( resid 72 and name HG3
or resid 72 and name HG2
) 3.9 0.8 0.8 volume=0.868 peak=1112 ppm1=1.264 ppm2=1.831
assign ( resid 54 and name HE#
)
( resid 50 and name HB#
) 4.2 0.8 0.8 volume=1.689 peak=1113 ppm1=1.265 ppm2=1.436
assign ( resid 54 and name HE#
)
( resid 8 and name HE#
) 4.9 1.0 1.0 volume=0.444 peak=1114 ppm1=1.265 ppm2=6.712
assign ( resid 54 and name HE#
)
( resid 8 and name HD#
or resid 51 and name HE#
) 4.6 0.9 0.9 volume=0.660 peak=1115 ppm1=1.266 ppm2=7.137
assign ( resid 54 and name HE#
)
( resid 54 and name H
) 4.1 0.8 0.8 volume=0.727 peak=1116 ppm1=1.265 ppm2=7.656
assign ( resid 54 and name HE#
)
( resid 53 and name H
or resid 55 and name H
) 4.5 0.9 0.9 volume=0.377 peak=1117 ppm1=1.268 ppm2=8.418
assign ( resid 167 and name HG2#
)
( resid 167 and name HA
) 3.8 0.8 0.8 volume=0.997 peak=1118 ppm1=-0.159 ppm2=3.783
assign ( resid 167 and name HG2#
)
( resid 141 and name HD2#
) 4.6 0.9 0.9 volume=1.073 peak=1119 ppm1=-0.160 ppm2=0.666
assign ( resid 67 and name HG2#
or resid 89 and name HD2#
)
( resid 36 and name HD#
or resid 36 and name HE#
or resid 69 and name HZ
) 4.7 0.9 0.9 volume=0.468 peak=1120 ppm1=0.621 ppm2=6.656
assign ( resid 67 and name HG2#
)
( resid 60 and name HE3
) 4.3 0.9 0.9 volume=0.527 peak=1121 ppm1=0.613 ppm2=7.849
assign ( resid 67 and name HG2#
)
( resid 67 and name H
or resid 69 and name H
) 4.5 0.9 0.9 volume=0.398 peak=1122 ppm1=0.602 ppm2=8.118
assign ( resid 89 and name HD2#
)
( resid 98 and name HZ
) 3.7 0.7 0.7 volume=1.194 peak=1123 ppm1=0.630 ppm2=7.263
assign ( resid 89 and name HD2#
)
( resid 85 and name HE#
) 4.6 0.9 0.9 volume=0.660 peak=1124 ppm1=0.631 ppm2=6.461
assign ( resid 47 and name HB#
)
( resid 48 and name H
) 4.3 0.9 0.9 volume=0.537 peak=1125 ppm1=1.979 ppm2=8.636
assign ( resid 47 and name HB#
)
( resid 44 and name HA
or resid 47 and name HA
) 4.1 0.8 0.8 volume=0.639 peak=1126 ppm1=1.979 ppm2=4.614
assign ( resid 137 and name HD1#
)
( resid 105 and name HA
or resid 137 and name HA
) 3.6 0.7 0.7 volume=1.459 peak=1127 ppm1=1.273 ppm2=4.265
assign ( resid 200 and name HD1#
)
( resid 200 and name HG
) 3.5 0.7 0.7 volume=1.681 peak=1128 ppm1=0.274 ppm2=1.842
assign ( resid 200 and name HD1#
)
( resid 173 and name HD1#
or resid 173 and name HG2#
or resid 203 and name HG1#
or resid 203 and name HG2#
) 3.8 0.8 0.8 volume=3.435 peak=1129 ppm1=0.274 ppm2=0.999
assign ( resid 200 and name HD1#
)
( resid 197 and name HA
or resid 200 and name HA
) 3.7 0.7 0.7 volume=1.183 peak=1130 ppm1=0.274 ppm2=3.867
assign ( resid 200 and name HD1#
)
( resid 200 and name H
) 4.1 0.8 0.8 volume=0.662 peak=1131 ppm1=0.274 ppm2=8.553
assign ( resid 200 and name HD1#
)
( resid 171 and name HD1
or resid 174 and name H
or resid 199 and name H
) 4.5 0.9 0.9 volume=0.403 peak=1132 ppm1=0.273 ppm2=7.524
assign ( resid 169 and name HG2#
)
( resid 169 and name H
) 3.2 0.6 0.6 volume=3.217 peak=1133 ppm1=1.216 ppm2=7.483
assign ( resid 38 and name HG2#
)
( resid 36 and name H
or resid 39 and name H
) 3.3 0.7 0.7 volume=2.333 peak=1134 ppm1=1.286 ppm2=7.720
assign ( resid 49 and name HG1#
)
( resid 49 and name H
) 3.1 0.6 0.6 volume=3.392 peak=1135 ppm1=1.199 ppm2=7.678
assign ( resid 169 and name HG2#
)
( resid 170 and name H
) 3.8 0.8 0.8 volume=1.029 peak=1136 ppm1=1.215 ppm2=7.915
assign ( resid 169 and name HG2#
)
( resid 169 and name HA
) 3.1 0.6 0.6 volume=3.442 peak=1137 ppm1=1.215 ppm2=3.794
assign ( resid 169 and name HG2#
)
( resid 169 and name HB
or resid 170 and name HG
) 3.0 0.6 0.6 volume=4.337 peak=1138 ppm1=1.216 ppm2=2.230
assign ( resid 169 and name HG2#
)
( resid 172 and name HB#
) 4.7 0.9 0.9 volume=0.939 peak=1139 ppm1=1.214 ppm2=1.937
assign ( resid 49 and name HG1#
)
( resid 49 and name HB
) 3.0 0.6 0.6 volume=4.098 peak=1140 ppm1=1.198 ppm2=2.426
assign ( resid 118 and name HG1#
)
( resid 120 and name H
) 3.5 0.7 0.7 volume=1.823 peak=1141 ppm1=1.126 ppm2=7.964
assign ( resid 17 and name HG2#
or resid 142 and name HG1#
)
( resid 20 and name H
or resid 143 and name H
) 3.9 0.8 0.8 volume=0.849 peak=1142 ppm1=1.020 ppm2=8.259
assign ( resid 198 and name HG1#
)
( resid 11 and name H
) 3.9 0.8 0.8 volume=0.985 peak=1143 ppm1=0.902 ppm2=8.132
assign ( resid 17 and name HG1#
)
( resid 17 and name H
) 3.1 0.6 0.6 volume=3.414 peak=1144 ppm1=1.155 ppm2=8.662
assign ( resid 49 and name HG1#
)
( resid 50 and name H
) 3.7 0.7 0.7 volume=1.353 peak=1145 ppm1=1.199 ppm2=8.548
assign ( resid 53 and name HG2#
or resid 192 and name HG2#
)
( resid 53 and name H
or resid 55 and name H
or resid 195 and name H
) 3.1 0.6 0.6 volume=3.930 peak=1146 ppm1=1.130 ppm2=8.398
assign ( resid 196 and name HD1#
)
( resid 197 and name H
) 4.1 0.8 0.8 volume=0.654 peak=1147 ppm1=0.866 ppm2=8.055
assign ( resid 219 and name HD1#
)
( resid 219 and name H
or resid 220 and name H
) 3.6 0.7 0.7 volume=1.564 peak=1148 ppm1=0.822 ppm2=8.024
assign ( resid 53 and name HG2#
)
( resid 54 and name H
) 3.6 0.7 0.7 volume=1.595 peak=1149 ppm1=1.129 ppm2=7.697
assign ( resid 138 and name HG2#
)
( resid 138 and name H
) 3.6 0.7 0.7 volume=1.398 peak=1150 ppm1=0.908 ppm2=8.721
assign ( resid 188 and name HD2#
)
( resid 187 and name H
or resid 188 and name H
) 3.7 0.7 0.7 volume=1.295 peak=1151 ppm1=0.943 ppm2=8.025
assign ( resid 206 and name HG1#
)
( resid 210 and name HD#
) 4.0 0.8 0.8 volume=1.663 peak=1152 ppm1=1.018 ppm2=7.548
assign ( resid 168 and name HG2#
)
( resid 134 and name HE#
or resid 169 and name H
) 3.8 0.8 0.8 volume=1.415 peak=1153 ppm1=0.993 ppm2=7.486
assign ( resid 118 and name HG1#
or resid 118 and name HG2#
)
( resid 118 and name H
) 3.4 0.7 0.7 volume=2.205 peak=1154 ppm1=1.122 ppm2=7.361
assign ( resid 38 and name HG1#
or resid 41 and name HG1#
or resid 70 and name HG2#
)
( resid 22 and name H
or resid 38 and name H
or resid 70 and name H
) 3.5 0.7 0.7 volume=1.850 peak=1155 ppm1=1.167 ppm2=8.769
assign ( resid 107 and name HG1#
or resid 198 and name HG1#
)
( resid 107 and name H
or resid 195 and name H
) 3.7 0.7 0.7 volume=1.241 peak=1156 ppm1=0.910 ppm2=8.350
assign ( resid 41 and name HG1#
)
( resid 41 and name H
or resid 43 and name H
) 3.5 0.7 0.7 volume=1.881 peak=1157 ppm1=1.162 ppm2=8.312
assign ( resid 185 and name HG1#
)
( resid 186 and name H
or resid 187 and name H
or resid 188 and name H
) 3.7 0.7 0.7 volume=1.165 peak=1158 ppm1=1.224 ppm2=8.027
assign ( resid 17 and name HG2#
or resid 132 and name HG2#
)
( resid 18 and name H
or resid 133 and name H
or resid 136 and name H
) 3.2 0.6 0.6 volume=2.794 peak=1159 ppm1=1.005 ppm2=7.972
assign ( resid 161 and name HG2#
or resid 169 and name HG1#
)
( resid 162 and name H
or resid 172 and name H
) 3.3 0.7 0.7 volume=2.673 peak=1160 ppm1=1.089 ppm2=7.775
assign ( resid 58 and name HG2#
)
( resid 58 and name H
) 3.3 0.7 0.7 volume=2.706 peak=1161 ppm1=0.945 ppm2=7.759
assign ( resid 169 and name HG1#
)
( resid 169 and name H
) 3.4 0.7 0.7 volume=2.199 peak=1162 ppm1=1.086 ppm2=7.498
assign ( resid 161 and name HG2#
)
( resid 165 and name HD22
) 3.5 0.7 0.7 volume=1.889 peak=1163 ppm1=1.084 ppm2=7.155
assign ( resid 38 and name HG1#
)
( resid 37 and name H
) 3.9 0.8 0.8 volume=0.913 peak=1164 ppm1=1.159 ppm2=7.362
assign ( resid 185 and name HG1#
)
( resid 184 and name H
) 4.4 0.9 0.9 volume=0.416 peak=1165 ppm1=1.219 ppm2=7.170
assign ( resid 138 and name HG2#
)
( resid 139 and name HD#
) 5.4 1.1 1.1 volume=0.255 peak=1166 ppm1=0.907 ppm2=6.984
assign ( resid 58 and name HG2#
)
( resid 56 and name H
) 4.4 0.9 0.9 volume=0.459 peak=1167 ppm1=0.947 ppm2=7.423
assign ( resid 68 and name HG2#
)
( resid 73 and name HE#
) 4.3 0.9 0.9 volume=0.999 peak=1168 ppm1=1.040 ppm2=6.841
assign ( resid 6 and name HG2#
)
( resid 9 and name H
) 5.4 1.1 1.1 volume=0.123 peak=1169 ppm1=1.423 ppm2=8.768
assign ( resid 163 and name HD1#
)
( resid 211 and name H
) 4.9 1.0 1.0 volume=0.243 peak=1170 ppm1=0.274 ppm2=8.468
assign ( resid 108 and name HG2#
)
( resid 107 and name H
) 4.8 1.0 1.0 volume=0.264 peak=1171 ppm1=1.493 ppm2=8.342
assign ( resid 40 and name HD1#
or resid 194 and name HG1#
)
( resid 41 and name H
or resid 195 and name H
) 4.5 0.9 0.9 volume=0.380 peak=1172 ppm1=0.424 ppm2=8.341
assign ( resid 108 and name HG2#
)
( resid 105 and name H
or resid 135 and name H
) 4.7 0.9 0.9 volume=0.289 peak=1173 ppm1=1.492 ppm2=8.199
assign ( resid 108 and name HG2#
)
( resid 133 and name H
) 4.6 0.9 0.9 volume=0.356 peak=1174 ppm1=1.494 ppm2=7.970
assign ( resid 40 and name HD1#
)
( resid 212 and name H
) 5.4 1.1 1.1 volume=0.123 peak=1175 ppm1=0.400 ppm2=7.828
assign ( resid 49 and name HG2#
)
( resid 49 and name H
) 3.5 0.7 0.7 volume=1.738 peak=1176 ppm1=0.976 ppm2=7.697
assign ( resid 108 and name HG2#
)
( resid 109 and name H
) 4.4 0.9 0.9 volume=0.435 peak=1177 ppm1=1.492 ppm2=7.535
assign ( resid 163 and name HD1#
)
( resid 166 and name H
) 4.9 1.0 1.0 volume=0.235 peak=1178 ppm1=0.274 ppm2=7.524
assign ( resid 163 and name HD1#
)
( resid 86 and name HD#
) 5.8 1.2 1.2 volume=0.174 peak=1179 ppm1=0.273 ppm2=7.354
assign ( resid 163 and name HD1#
)
( resid 86 and name HE#
or resid 208 and name HD#
) 5.1 1.0 1.0 volume=0.362 peak=1180 ppm1=0.272 ppm2=6.978
assign ( resid 89 and name HD2#
)
( resid 85 and name HD#
) 5.2 1.0 1.0 volume=0.320 peak=1181 ppm1=0.632 ppm2=6.903
assign ( resid 163 and name HD1#
)
( resid 86 and name HZ
) 4.9 1.0 1.0 volume=0.236 peak=1182 ppm1=0.273 ppm2=6.680
assign ( resid 67 and name HG2#
)
( resid 68 and name H
) 4.3 0.9 0.9 volume=0.513 peak=1183 ppm1=0.604 ppm2=9.282
assign ( resid 67 and name HG2#
)
( resid 61 and name H
) 4.6 0.9 0.9 volume=0.353 peak=1184 ppm1=0.603 ppm2=9.183
assign ( resid 41 and name HG1#
)
( resid 45 and name H
) 4.7 0.9 0.9 volume=0.285 peak=1185 ppm1=1.161 ppm2=9.089
assign ( resid 19 and name HG2#
)
( resid 45 and name H
) 4.4 0.9 0.9 volume=0.469 peak=1186 ppm1=1.422 ppm2=9.055
assign ( resid 63 and name HG2#
)
( resid 64 and name H
) 4.1 0.8 0.8 volume=0.650 peak=1187 ppm1=1.040 ppm2=8.920
assign ( resid 103 and name HG2#
)
( resid 102 and name H
) 4.8 1.0 1.0 volume=0.265 peak=1188 ppm1=1.223 ppm2=8.643
assign ( resid 19 and name HG2#
)
( resid 48 and name H
) 4.6 0.9 0.9 volume=0.341 peak=1189 ppm1=1.424 ppm2=8.604
assign ( resid 67 and name HG2#
)
( resid 60 and name H
) 5.0 1.0 1.0 volume=0.196 peak=1190 ppm1=0.601 ppm2=8.510
assign ( resid 19 and name HG2#
)
( resid 19 and name H
) 4.2 0.8 0.8 volume=0.560 peak=1191 ppm1=1.425 ppm2=8.396
assign ( resid 230 and name HG1#
)
( resid 232 and name H
) 4.3 0.9 0.9 volume=0.524 peak=1192 ppm1=1.077 ppm2=8.142
assign ( resid 19 and name HG2#
)
( resid 22 and name HD#
) 5.9 1.2 1.2 volume=0.159 peak=1193 ppm1=1.428 ppm2=7.195
assign ( resid 67 and name HG2#
)
( resid 69 and name HE#
) 5.2 1.0 1.0 volume=0.321 peak=1194 ppm1=0.604 ppm2=6.335
assign ( resid 70 and name HG2#
)
( resid 113 and name HE#
) 3.7 0.7 0.7 volume=2.633 peak=1195 ppm1=1.154 ppm2=7.140
assign ( resid 206 and name HG1#
)
( resid 206 and name HB
) 3.4 0.7 0.7 volume=2.157 peak=1196 ppm1=1.018 ppm2=2.621
assign ( resid 84 and name HG1#
)
( resid 105 and name HB2
) 4.4 0.9 0.9 volume=0.425 peak=1197 ppm1=1.289 ppm2=2.733
assign ( resid 200 and name HD2#
)
( resid 173 and name HB
or resid 173 and name HG13
) 3.5 0.7 0.7 volume=1.647 peak=1198 ppm1=0.810 ppm2=2.265
assign ( resid 56 and name HD1#
or resid 84 and name HG1#
)
( resid 56 and name HG
or resid 145 and name HE#
) 3.1 0.6 0.6 volume=5.427 peak=1199 ppm1=1.293 ppm2=2.156
assign ( resid 93 and name HD1#
)
( resid 97 and name HG2
) 4.1 0.8 0.8 volume=0.682 peak=1200 ppm1=0.772 ppm2=2.674
assign ( resid 108 and name HG1#
)
( resid 108 and name HB
) 4.2 0.8 0.8 volume=0.621 peak=1201 ppm1=0.739 ppm2=2.689
assign ( resid 93 and name HD1#
)
( resid 97 and name HG3
or resid 145 and name HG2
or resid 145 and name HG3
) 3.5 0.7 0.7 volume=1.855 peak=1202 ppm1=0.775 ppm2=2.523
assign ( resid 118 and name HG2#
or resid 192 and name HG2#
)
( resid 118 and name HB
or resid 192 and name HB
) 2.8 0.6 0.6 volume=6.936 peak=1203 ppm1=1.125 ppm2=2.281
assign ( resid 170 and name HD1#
)
( resid 169 and name HB
or resid 170 and name HG
) 2.9 0.6 0.6 volume=5.830 peak=1204 ppm1=1.058 ppm2=2.215
assign ( resid 219 and name HD1#
)
( resid 90 and name HG
or resid 159 and name HB3
) 3.6 0.7 0.7 volume=1.444 peak=1205 ppm1=0.822 ppm2=2.136
assign ( resid 108 and name HG2#
)
( resid 107 and name HB
or resid 137 and name HB3
) 4.5 0.9 0.9 volume=0.393 peak=1206 ppm1=1.492 ppm2=2.395
assign ( resid 53 and name HG1#
or resid 188 and name HD2#
)
( resid 180 and name HB3
or resid 188 and name HG
or resid 196 and name HB2
) 2.9 0.6 0.6 volume=4.934 peak=1207 ppm1=0.981 ppm2=2.118
assign ( resid 138 and name HG2#
)
( resid 135 and name HG13
or resid 138 and name HB
or resid 141 and name HB2
or resid 141 and name HG
) 3.1 0.6 0.6 volume=3.944 peak=1208 ppm1=0.909 ppm2=2.090
assign ( resid 169 and name HG2#
)
( resid 170 and name HA
) 4.6 0.9 0.9 volume=0.348 peak=1209 ppm1=1.214 ppm2=4.504
assign ( resid 126 and name HD2#
)
( resid 123 and name HA
) 2.9 0.6 0.6 volume=5.979 peak=1210 ppm1=0.981 ppm2=4.300
assign ( resid 138 and name HG1#
)
( resid 137 and name HA
) 5.0 1.0 1.0 volume=0.204 peak=1211 ppm1=0.467 ppm2=4.242
assign ( resid 107 and name HG2#
or resid 132 and name HG1#
)
( resid 129 and name HA
or resid 133 and name HA
) 3.3 0.7 0.7 volume=2.515 peak=1212 ppm1=1.159 ppm2=4.080
assign ( resid 219 and name HD1#
)
( resid 216 and name HA
) 3.6 0.7 0.7 volume=1.410 peak=1213 ppm1=0.822 ppm2=4.085
assign ( resid 138 and name HG1#
)
( resid 139 and name HA
) 5.3 1.1 1.1 volume=0.142 peak=1214 ppm1=0.470 ppm2=4.095
assign ( resid 169 and name HG2#
)
( resid 166 and name HA
) 3.9 0.8 0.8 volume=0.857 peak=1215 ppm1=1.211 ppm2=4.053
assign ( resid 126 and name HD2#
)
( resid 111 and name HA
or resid 115 and name HA2
or resid 115 and name HA3
) 3.4 0.7 0.7 volume=2.052 peak=1216 ppm1=0.993 ppm2=3.950
assign ( resid 84 and name HG2#
)
( resid 84 and name HA
) 3.3 0.7 0.7 volume=2.316 peak=1217 ppm1=1.075 ppm2=3.784
assign ( resid 169 and name HG2#
)
( resid 165 and name HB3
) 5.0 1.0 1.0 volume=0.200 peak=1218 ppm1=1.214 ppm2=3.199
assign ( resid 219 and name HD1#
)
( resid 215 and name HA
or resid 218 and name HB
) 4.2 0.8 0.8 volume=0.566 peak=1219 ppm1=0.821 ppm2=4.455
assign ( resid 93 and name HD1#
)
( resid 98 and name HA
) 4.2 0.8 0.8 volume=0.553 peak=1220 ppm1=0.773 ppm2=4.400
assign ( resid 203 and name HG1#
)
( resid 200 and name HA
or resid 207 and name HA3
) 3.5 0.7 0.7 volume=1.687 peak=1221 ppm1=0.983 ppm2=3.852
assign ( resid 49 and name HG1#
)
( resid 46 and name HA
or resid 49 and name HA
) 3.0 0.6 0.6 volume=4.608 peak=1222 ppm1=1.198 ppm2=3.606
assign ( resid 53 and name HG2#
or resid 192 and name HG2#
)
( resid 49 and name HA
or resid 53 and name HA
or resid 192 and name HA
) 3.0 0.6 0.6 volume=4.658 peak=1223 ppm1=1.129 ppm2=3.628
assign ( resid 7 and name HD1#
or resid 196 and name HD1#
)
( resid 192 and name HA
) 4.2 0.8 0.8 volume=0.576 peak=1224 ppm1=0.874 ppm2=3.611
assign ( resid 196 and name HD1#
)
( resid 199 and name HB3
) 4.1 0.8 0.8 volume=0.699 peak=1225 ppm1=0.872 ppm2=3.386
assign ( resid 101 and name HG1#
)
( resid 98 and name HA
) 3.5 0.7 0.7 volume=1.674 peak=1226 ppm1=1.051 ppm2=4.409
assign ( resid 185 and name HG1#
)
( resid 184 and name HA3
) 3.6 0.7 0.7 volume=1.456 peak=1227 ppm1=1.224 ppm2=4.144
assign ( resid 118 and name HG2#
)
( resid 116 and name HA
) 3.4 0.7 0.7 volume=2.203 peak=1228 ppm1=1.117 ppm2=4.122
assign ( resid 40 and name HD1#
)
( resid 40 and name HA
) 3.8 0.8 0.8 volume=1.036 peak=1229 ppm1=0.401 ppm2=4.143
assign ( resid 61 and name HG1#
)
( resid 70 and name HA
) 3.3 0.7 0.7 volume=2.630 peak=1230 ppm1=1.104 ppm2=3.992
assign ( resid 89 and name HD2#
)
( resid 86 and name HA
) 4.6 0.9 0.9 volume=0.362 peak=1231 ppm1=0.629 ppm2=3.934
assign ( resid 101 and name HG1#
)
( resid 101 and name HA
) 3.2 0.6 0.6 volume=2.796 peak=1232 ppm1=1.053 ppm2=3.783
assign ( resid 101 and name HG1#
)
( resid 98 and name HB3
or resid 140 and name HB2
) 3.8 0.8 0.8 volume=1.118 peak=1233 ppm1=1.049 ppm2=3.335
assign ( resid 194 and name HG1#
)
( resid 194 and name HA
) 4.8 1.0 1.0 volume=0.274 peak=1234 ppm1=0.428 ppm2=3.325
assign ( resid 49 and name HG2#
)
( resid 75 and name HB3
) 4.7 0.9 0.9 volume=0.304 peak=1235 ppm1=0.967 ppm2=3.180
assign ( resid 138 and name HG1#
)
( resid 137 and name HB3
) 4.7 0.9 0.9 volume=0.318 peak=1236 ppm1=0.468 ppm2=2.392
assign ( resid 108 and name HG1#
)
( resid 105 and name HB3
) 5.1 1.0 1.0 volume=0.180 peak=1237 ppm1=0.775 ppm2=2.957
assign ( resid 20 and name HD2#
)
( resid 20 and name HG
or resid 20 and name HB3
) 2.7 0.5 0.5 volume=7.826 peak=1238 ppm1=0.946 ppm2=2.067
assign ( resid 49 and name HG1#
)
( resid 48 and name HB#
) 4.1 0.8 0.8 volume=2.137 peak=1239 ppm1=1.198 ppm2=1.666
assign ( resid 108 and name HG1#
)
( resid 133 and name HB#
) 4.4 0.9 0.9 volume=1.394 peak=1240 ppm1=0.738 ppm2=1.659
assign ( resid 194 and name HG1#
)
( resid 197 and name HB
or resid 198 and name HB
) 5.3 1.1 1.1 volume=0.152 peak=1241 ppm1=0.430 ppm2=2.319
assign ( resid 101 and name HG1#
)
( resid 101 and name HB
) 2.9 0.6 0.6 volume=5.856 peak=1242 ppm1=1.051 ppm2=2.064
assign ( resid 185 and name HG1#
)
( resid 179 and name HB2
or resid 187 and name HG
or resid 187 and name HB3
) 3.5 0.7 0.7 volume=1.854 peak=1243 ppm1=1.223 ppm2=1.774
assign ( resid 89 and name HD2#
)
( resid 39 and name HG2#
) 5.3 1.1 1.1 volume=0.429 peak=1244 ppm1=0.630 ppm2=1.704
assign ( resid 138 and name HG1#
)
( resid 137 and name H
or resid 139 and name H
) 4.1 0.8 0.8 volume=0.671 peak=1245 ppm1=0.468 ppm2=8.553
assign ( resid 138 and name HG1#
)
( resid 134 and name HE#
or resid 171 and name HE3
) 4.2 0.8 0.8 volume=0.791 peak=1246 ppm1=0.469 ppm2=7.470
assign ( resid 138 and name HG1#
)
( resid 135 and name HA
or resid 139 and name HB3
) 3.8 0.8 0.8 volume=0.994 peak=1247 ppm1=0.468 ppm2=3.590
assign ( resid 138 and name HG1#
)
( resid 138 and name HA
) 3.6 0.7 0.7 volume=1.539 peak=1248 ppm1=0.468 ppm2=3.387
assign ( resid 138 and name HG1#
)
( resid 135 and name HG13
or resid 138 and name HB
or resid 141 and name HG
) 3.4 0.7 0.7 volume=2.204 peak=1249 ppm1=0.468 ppm2=2.087
assign ( resid 138 and name HG1#
)
( resid 138 and name HG2#
) 3.5 0.7 0.7 volume=4.889 peak=1250 ppm1=0.468 ppm2=0.924
assign ( resid 138 and name HG1#
)
( resid 141 and name HD2#
) 4.6 0.9 0.9 volume=1.014 peak=1251 ppm1=0.468 ppm2=0.662
assign ( resid 100 and name HD1#
)
( resid 100 and name HG2#
) 3.4 0.7 0.7 volume=6.418 peak=1252 ppm1=1.075 ppm2=0.711
assign ( resid 173 and name HD1#
)
( resid 200 and name HD1#
) 4.7 0.9 0.9 volume=0.915 peak=1253 ppm1=0.995 ppm2=0.281
assign ( resid 102 and name HD1#
)
( resid 85 and name HD#
) 4.3 0.9 0.9 volume=1.026 peak=1254 ppm1=1.026 ppm2=6.901
assign ( resid 191 and name HG2#
)
( resid 4 and name HD1#
) 4.2 0.8 0.8 volume=1.869 peak=1255 ppm1=1.265 ppm2=0.676
assign ( resid 70 and name HG2#
)
( resid 74 and name HD1#
) 3.7 0.7 0.7 volume=3.770 peak=1256 ppm1=1.153 ppm2=0.700
assign ( resid 163 and name HD1#
)
( resid 159 and name HB3
or resid 162 and name HB2
or resid 211 and name HB
) 3.8 0.8 0.8 volume=1.061 peak=1257 ppm1=0.274 ppm2=2.056
assign ( resid 163 and name HD1#
)
( resid 90 and name HB2
or resid 159 and name HB2
or resid 159 and name HG
or resid 163 and name HB3
or resid 163 and name HG
) 3.6 0.7 0.7 volume=1.542 peak=1258 ppm1=0.273 ppm2=1.683
assign ( resid 204 and name HG2#
)
( resid 171 and name HD1
) 4.2 0.8 0.8 volume=0.575 peak=1259 ppm1=1.813 ppm2=7.517
assign ( resid 204 and name HG2#
)
( resid 167 and name H
) 5.1 1.0 1.0 volume=0.176 peak=1260 ppm1=1.817 ppm2=7.896
assign ( resid 204 and name HG2#
)
( resid 205 and name H
) 5.3 1.1 1.1 volume=0.144 peak=1261 ppm1=1.812 ppm2=7.712
assign ( resid 177 and name HG2#
)
( resid 177 and name H
) 4.0 0.8 0.8 volume=0.774 peak=1262 ppm1=1.198 ppm2=7.881
assign ( resid 52 and name HB#
)
( resid 54 and name H
) 4.1 0.8 0.8 volume=0.638 peak=1263 ppm1=1.597 ppm2=7.675
assign ( resid 46 and name HG2#
)
( resid 46 and name HA
) 3.7 0.7 0.7 volume=1.190 peak=1264 ppm1=0.935 ppm2=3.628
assign ( resid 46 and name HG2#
)
( resid 46 and name HG12
or resid 79 and name HG2#
) 3.9 0.8 0.8 volume=1.406 peak=1265 ppm1=0.935 ppm2=1.713
assign ( resid 100 and name HG2#
)
( resid 100 and name HD1#
or resid 101 and name HG1#
or resid 101 and name HG2#
or resid 104 and name HD2#
) 3.1 0.6 0.6 volume=9.907 peak=1266 ppm1=0.710 ppm2=1.080
assign ( resid 100 and name HG2#
)
( resid 104 and name HB3
) 4.2 0.8 0.8 volume=0.570 peak=1267 ppm1=0.710 ppm2=1.680
assign ( resid 211 and name HG2#
)
( resid 162 and name HB3
or resid 162 and name HB2
or resid 211 and name HG13
or resid 211 and name HB
) 3.2 0.6 0.6 volume=2.824 peak=1268 ppm1=0.848 ppm2=2.028
assign ( resid 211 and name HG2#
)
( resid 211 and name H
) 3.9 0.8 0.8 volume=0.932 peak=1269 ppm1=0.847 ppm2=8.469
assign ( resid 121 and name HG2#
)
( resid 124 and name HE#
) 4.6 0.9 0.9 volume=0.671 peak=1270 ppm1=1.293 ppm2=6.881
assign ( resid 121 and name HG2#
)
( resid 121 and name HB
) 2.9 0.6 0.6 volume=5.085 peak=1271 ppm1=1.293 ppm2=2.312
assign ( resid 142 and name HG2#
)
( resid 139 and name H
or resid 142 and name H
) 3.1 0.6 0.6 volume=3.375 peak=1272 ppm1=1.074 ppm2=8.638
assign ( resid 84 and name HG1#
or resid 161 and name HG1#
)
( resid 102 and name H
or resid 161 and name H
) 3.3 0.7 0.7 volume=2.660 peak=1273 ppm1=1.287 ppm2=8.619
assign ( resid 63 and name HG1#
)
( resid 63 and name H
or resid 65 and name H
) 4.1 0.8 0.8 volume=0.691 peak=1274 ppm1=0.819 ppm2=8.625
assign ( resid 77 and name HG2#
)
( resid 78 and name H
) 3.8 0.8 0.8 volume=1.016 peak=1275 ppm1=0.990 ppm2=7.682
assign ( resid 173 and name HG2#
)
( resid 174 and name H
or resid 176 and name H
) 4.2 0.8 0.8 volume=0.581 peak=1276 ppm1=0.993 ppm2=7.568
assign ( resid 114 and name HB#
)
( resid 111 and name HA
or resid 115 and name HA2
or resid 115 and name HA3
) 3.6 0.7 0.7 volume=1.599 peak=1277 ppm1=1.417 ppm2=3.979
assign ( resid 50 and name HB#
)
( resid 50 and name HA
or resid 72 and name HA
) 3.6 0.7 0.7 volume=1.487 peak=1278 ppm1=1.445 ppm2=3.790
assign ( resid 67 and name HG2#
)
( resid 67 and name HB
) 3.8 0.8 0.8 volume=1.107 peak=1279 ppm1=0.603 ppm2=3.563
assign ( resid 67 and name HG2#
)
( resid 60 and name HA
or resid 62 and name HA
or resid 69 and name HA
) 4.3 0.9 0.9 volume=0.531 peak=1280 ppm1=0.603 ppm2=5.145
assign ( resid 67 and name HG2#
)
( resid 67 and name HA
) 4.3 0.9 0.9 volume=0.505 peak=1281 ppm1=0.603 ppm2=4.519
assign ( resid 67 and name HG2#
)
( resid 60 and name HB3
) 4.4 0.9 0.9 volume=0.435 peak=1282 ppm1=0.602 ppm2=3.042
assign ( resid 89 and name HD2#
)
( resid 90 and name HD2#
) 4.6 0.9 0.9 volume=1.089 peak=1283 ppm1=0.620 ppm2=0.969
assign ( resid 132 and name HG2#
)
( resid 133 and name HB#
) 4.0 0.8 0.8 volume=2.196 peak=1284 ppm1=1.018 ppm2=1.689
assign ( resid 63 and name HG2#
)
( resid 64 and name HB#
or resid 116 and name HB#
) 3.7 0.7 0.7 volume=3.537 peak=1285 ppm1=1.039 ppm2=1.603
assign ( resid 67 and name HG2#
)
( resid 62 and name HB3
or resid 68 and name HB
) 4.5 0.9 0.9 volume=0.375 peak=1286 ppm1=0.604 ppm2=2.166
assign ( resid 89 and name HD2#
)
( resid 89 and name HB3
) 3.8 0.8 0.8 volume=1.073 peak=1287 ppm1=0.629 ppm2=1.897
assign ( resid 185 and name HG1#
)
( resid 185 and name H
) 3.6 0.7 0.7 volume=1.471 peak=1288 ppm1=1.223 ppm2=9.116
assign ( resid 2 and name HG1#
)
( resid 2 and name H
) 3.8 0.8 0.8 volume=1.065 peak=1289 ppm1=1.174 ppm2=8.084
assign ( resid 83 and name HD1#
)
( resid 40 and name HD1#
or resid 80 and name HG2#
) 5.2 1.0 1.0 volume=0.491 peak=1290 ppm1=1.124 ppm2=0.443
assign ( resid 163 and name HD2#
)
( resid 163 and name H
) 4.4 0.9 0.9 volume=0.470 peak=1291 ppm1=0.518 ppm2=8.190
assign ( resid 4 and name HD2#
)
( resid 69 and name HE#
) 4.4 0.9 0.9 volume=0.927 peak=1292 ppm1=0.908 ppm2=6.330
assign ( resid 4 and name HD2#
)
( resid 8 and name HE#
or resid 69 and name HZ
) 3.6 0.7 0.7 volume=2.053 peak=1293 ppm1=0.908 ppm2=6.689
assign ( resid 78 and name HD2#
or resid 202 and name HD1#
)
( resid 15 and name H
or resid 77 and name H
or resid 202 and name H
) 3.8 0.8 0.8 volume=1.143 peak=1294 ppm1=0.870 ppm2=8.476
assign ( resid 185 and name HG2#
)
( resid 185 and name H
) 3.5 0.7 0.7 volume=1.696 peak=1295 ppm1=1.286 ppm2=9.114
assign ( resid 185 and name HG2#
)
( resid 186 and name H
or resid 187 and name H
or resid 188 and name H
) 3.2 0.6 0.6 volume=2.737 peak=1296 ppm1=1.286 ppm2=8.024
assign ( resid 4 and name HD2#
)
( resid 4 and name HA
or resid 191 and name HA
) 3.5 0.7 0.7 volume=1.696 peak=1297 ppm1=0.914 ppm2=3.790
assign ( resid 163 and name HD2#
)
( resid 87 and name HD1#
or resid 159 and name HD1#
or resid 166 and name HD2#
) 3.7 0.7 0.7 volume=3.934 peak=1298 ppm1=0.517 ppm2=1.003
assign ( resid 40 and name HD2#
)
( resid 212 and name HB#
) 4.2 0.8 0.8 volume=1.834 peak=1299 ppm1=0.516 ppm2=1.437
assign ( resid 40 and name HD2#
)
( resid 40 and name HB3
or resid 40 and name HG
or resid 43 and name HB
) 3.6 0.7 0.7 volume=1.530 peak=1300 ppm1=0.511 ppm2=2.075
assign ( resid 137 and name HD1#
)
( resid 138 and name H
) 4.4 0.9 0.9 volume=0.430 peak=1301 ppm1=1.274 ppm2=8.721
assign ( resid 25 and name HB#
)
( resid 21 and name HB#
) 4.0 0.8 0.8 volume=2.365 peak=1302 ppm1=1.891 ppm2=1.523
assign ( resid 213 and name HD1#
)
( resid 40 and name HD2#
) 4.2 0.8 0.8 volume=1.884 peak=1303 ppm1=1.099 ppm2=0.524
assign ( resid 163 and name HD2#
)
( resid 163 and name HD1#
) 4.2 0.8 0.8 volume=1.652 peak=1304 ppm1=0.519 ppm2=0.280
assign ( resid 212 and name HB#
)
( resid 40 and name HD2#
or resid 163 and name HD2#
) 4.0 0.8 0.8 volume=2.271 peak=1305 ppm1=1.455 ppm2=0.505
assign ( resid 163 and name HD2#
)
( resid 90 and name HB2
or resid 159 and name HB2
or resid 159 and name HG
or resid 163 and name HB3
or resid 163 and name HG
) 3.4 0.7 0.7 volume=2.113 peak=1306 ppm1=0.519 ppm2=1.677
assign ( resid 109 and name HE#
)
( resid 108 and name HG1#
) 4.1 0.8 0.8 volume=2.183 peak=1307 ppm1=1.457 ppm2=0.741
assign ( resid 7 and name HD1#
or resid 196 and name HD1#
)
( resid 195 and name HB#
) 3.7 0.7 0.7 volume=4.000 peak=1308 ppm1=0.870 ppm2=1.539
assign ( resid 20 and name HD2#
)
( resid 20 and name HB2
) 3.0 0.6 0.6 volume=4.371 peak=1309 ppm1=0.945 ppm2=1.503
assign ( resid 170 and name HD1#
or resid 180 and name HD1#
)
( resid 173 and name HG12
or resid 177 and name HG13
) 2.9 0.6 0.6 volume=5.337 peak=1310 ppm1=1.052 ppm2=1.398
assign ( resid 7 and name HD1#
or resid 196 and name HD1#
)
( resid 4 and name HB3
or resid 177 and name HG13
or resid 196 and name HB3
) 2.9 0.6 0.6 volume=5.489 peak=1311 ppm1=0.871 ppm2=1.407
assign ( resid 89 and name HD2#
)
( resid 89 and name HD1#
) 3.4 0.7 0.7 volume=5.809 peak=1312 ppm1=0.629 ppm2=0.200
assign ( resid 89 and name HD2#
)
( resid 38 and name HG2#
or resid 89 and name HG
) 3.7 0.7 0.7 volume=1.996 peak=1313 ppm1=0.630 ppm2=1.262
assign ( resid 89 and name HD2#
)
( resid 85 and name HB3
) 4.2 0.8 0.8 volume=0.604 peak=1314 ppm1=0.629 ppm2=3.336
assign ( resid 89 and name HD2#
)
( resid 35 and name HA
or resid 89 and name HA
) 3.3 0.7 0.7 volume=2.604 peak=1315 ppm1=0.629 ppm2=4.247
assign ( resid 89 and name HD2#
)
( resid 98 and name HE#
) 4.6 0.9 0.9 volume=0.656 peak=1316 ppm1=0.629 ppm2=7.526
assign ( resid 177 and name HG2#
)
( resid 177 and name HD1#
) 3.7 0.7 0.7 volume=3.493 peak=1317 ppm1=1.199 ppm2=0.764
assign ( resid 91 and name HB#
)
( resid 160 and name HD#
) 5.1 1.0 1.0 volume=0.364 peak=1318 ppm1=1.210 ppm2=7.050
assign ( resid 12 and name HB#
)
( resid 13 and name HG2#
) 4.0 0.8 0.8 volume=2.470 peak=1319 ppm1=1.807 ppm2=0.985
assign ( resid 12 and name HB#
)
( resid 13 and name HB
or resid 16 and name HB3
) 3.9 0.8 0.8 volume=0.869 peak=1320 ppm1=1.808 ppm2=2.102
assign ( resid 12 and name HB#
)
( resid 16 and name HB2
) 4.0 0.8 0.8 volume=0.753 peak=1321 ppm1=1.808 ppm2=2.007
assign ( resid 12 and name HB#
)
( resid 52 and name HA
) 3.9 0.8 0.8 volume=0.985 peak=1322 ppm1=1.808 ppm2=3.595
assign ( resid 12 and name HB#
)
( resid 13 and name HA
or resid 51 and name HA
) 4.4 0.9 0.9 volume=0.433 peak=1323 ppm1=1.809 ppm2=3.855
assign ( resid 12 and name HB#
)
( resid 9 and name HZ3
) 4.4 0.9 0.9 volume=0.428 peak=1324 ppm1=1.809 ppm2=6.940
assign ( resid 12 and name HB#
)
( resid 55 and name HB#
) 5.4 1.1 1.1 volume=0.381 peak=1325 ppm1=1.809 ppm2=0.186
assign ( resid 117 and name HE#
)
( resid 113 and name HE#
) 4.0 0.8 0.8 volume=1.630 peak=1326 ppm1=1.927 ppm2=7.155
assign ( resid 117 and name HE#
)
( resid 117 and name H
) 3.8 0.8 0.8 volume=1.148 peak=1327 ppm1=1.928 ppm2=7.284
assign ( resid 145 and name HE#
)
( resid 145 and name HG2
or resid 145 and name HG3
) 3.4 0.7 0.7 volume=2.225 peak=1328 ppm1=2.139 ppm2=2.507
assign ( resid 145 and name HE#
)
( resid 145 and name H
) 4.6 0.9 0.9 volume=0.345 peak=1329 ppm1=2.140 ppm2=8.783
assign ( resid 145 and name HE#
)
( resid 87 and name H
) 4.3 0.9 0.9 volume=0.506 peak=1330 ppm1=2.140 ppm2=8.623
assign ( resid 145 and name HE#
)
( resid 98 and name HD#
) 5.4 1.1 1.1 volume=0.274 peak=1331 ppm1=2.139 ppm2=7.305
assign ( resid 145 and name HE#
)
( resid 91 and name HB#
or resid 137 and name HD2#
or resid 141 and name HB3
) 3.6 0.7 0.7 volume=2.538 peak=1332 ppm1=2.139 ppm2=1.206
assign ( resid 145 and name HE#
)
( resid 93 and name HG
) 3.9 0.8 0.8 volume=0.869 peak=1333 ppm1=2.139 ppm2=1.808
assign ( resid 145 and name HE#
)
( resid 141 and name H
) 5.1 1.0 1.0 volume=0.186 peak=1334 ppm1=2.140 ppm2=8.434
assign ( resid 145 and name HE#
)
( resid 91 and name H
) 4.4 0.9 0.9 volume=0.461 peak=1335 ppm1=2.138 ppm2=8.246
assign ( resid 145 and name HE#
)
( resid 101 and name H
) 5.2 1.0 1.0 volume=0.164 peak=1336 ppm1=2.140 ppm2=7.798
assign ( resid 145 and name HE#
)
( resid 98 and name HA
) 4.4 0.9 0.9 volume=0.451 peak=1337 ppm1=2.138 ppm2=4.436
assign ( resid 145 and name HE#
)
( resid 93 and name HA
) 4.7 0.9 0.9 volume=0.315 peak=1338 ppm1=2.140 ppm2=4.202
assign ( resid 145 and name HE#
)
( resid 145 and name HA
) 3.9 0.8 0.8 volume=0.890 peak=1339 ppm1=2.139 ppm2=3.885
assign ( resid 1 and name HE#
)
( resid 2 and name HG1#
or resid 2 and name HG2#
) 4.7 0.9 0.9 volume=0.877 peak=1340 ppm1=2.277 ppm2=1.199
assign ( resid 1 and name HE#
)
( resid 4 and name HD2#
or resid 7 and name HD2#
) 4.5 0.9 0.9 volume=1.225 peak=1341 ppm1=2.278 ppm2=0.950
assign ( resid 1 and name HE#
)
( resid 4 and name HD2#
or resid 7 and name HD1#
) 4.7 0.9 0.9 volume=0.945 peak=1342 ppm1=2.278 ppm2=0.868
assign ( resid 1 and name HE#
)
( resid 4 and name HD1#
) 5.4 1.1 1.1 volume=0.391 peak=1343 ppm1=2.277 ppm2=0.686
assign ( resid 156 and name HG12
)
( resid 156 and name HG13
) 3.0 0.6 0.6 volume=1.503 peak=1344 ppm1=1.258 ppm2=1.717
assign ( resid 177 and name HG2#
)
( resid 177 and name HA
) 3.5 0.7 0.7 volume=1.631 peak=1345 ppm1=1.198 ppm2=3.824
assign ( resid 15 and name HE#
)
( resid 201 and name HB3
) 4.0 0.8 0.8 volume=0.761 peak=1346 ppm1=2.197 ppm2=3.193
assign ( resid 15 and name HE#
)
( resid 201 and name HA
or resid 202 and name HA
) 3.6 0.7 0.7 volume=1.403 peak=1347 ppm1=2.197 ppm2=4.185
assign ( resid 15 and name HE#
)
( resid 201 and name HB2
) 3.9 0.8 0.8 volume=0.907 peak=1348 ppm1=2.198 ppm2=2.625
assign ( resid 15 and name HE#
)
( resid 206 and name HG2#
) 4.7 0.9 0.9 volume=0.856 peak=1349 ppm1=2.197 ppm2=1.409
assign ( resid 12 and name HB#
)
( resid 9 and name HA
) 4.1 0.8 0.8 volume=0.687 peak=1350 ppm1=1.808 ppm2=4.934
assign ( resid 114 and name HB#
)
( resid 110 and name HD1#
or resid 110 and name HD2#
or resid 126 and name HD1#
or resid 126 and name HD2#
) 3.2 0.6 0.6 volume=8.358 peak=1351 ppm1=1.416 ppm2=0.985
assign ( resid 212 and name HB#
)
( resid 159 and name HD1#
) 3.5 0.7 0.7 volume=5.299 peak=1352 ppm1=1.453 ppm2=0.993
assign ( resid 21 and name HB#
)
( resid 210 and name HD#
) 5.0 1.0 1.0 volume=0.401 peak=1353 ppm1=1.526 ppm2=7.550
assign ( resid 23 and name HB#
)
( resid 41 and name HG1#
) 3.8 0.8 0.8 volume=3.156 peak=1354 ppm1=1.691 ppm2=1.161
assign ( resid 23 and name HB#
or resid 125 and name HB#
)
( resid 20 and name HD2#
or resid 20 and name HD1#
or resid 126 and name HD1#
or resid 126 and name HD2#
) 3.3 0.7 0.7 volume=7.886 peak=1355 ppm1=1.689 ppm2=0.987
assign ( resid 216 and name HB#
)
( resid 25 and name HB#
or resid 213 and name HB2
) 3.5 0.7 0.7 volume=2.691 peak=1356 ppm1=1.687 ppm2=1.878
assign ( resid 125 and name HB#
)
( resid 122 and name HB3
or resid 122 and name HB2
or resid 126 and name HG
) 3.5 0.7 0.7 volume=1.753 peak=1357 ppm1=1.694 ppm2=2.136
assign ( resid 23 and name HB#
or resid 125 and name HB#
)
( resid 41 and name HB
or resid 122 and name HG3
) 4.1 0.8 0.8 volume=0.675 peak=1358 ppm1=1.694 ppm2=2.599
assign ( resid 48 and name HB#
)
( resid 49 and name HB
) 3.6 0.7 0.7 volume=1.405 peak=1359 ppm1=1.684 ppm2=2.398
assign ( resid 12 and name HB#
)
( resid 51 and name HB3
) 4.5 0.9 0.9 volume=0.388 peak=1360 ppm1=1.809 ppm2=2.950
assign ( resid 133 and name HB#
)
( resid 108 and name HA
or resid 134 and name HB3
or resid 134 and name HB2
) 3.9 0.8 0.8 volume=0.966 peak=1361 ppm1=1.655 ppm2=3.470
assign ( resid 48 and name HB#
)
( resid 49 and name HA
) 3.7 0.7 0.7 volume=1.247 peak=1362 ppm1=1.688 ppm2=3.594
assign ( resid 217 and name HB#
)
( resid 217 and name H
) 2.8 0.6 0.6 volume=7.374 peak=1363 ppm1=1.723 ppm2=8.243
assign ( resid 216 and name HB#
)
( resid 216 and name H
or resid 217 and name H
) 2.8 0.6 0.6 volume=6.420 peak=1364 ppm1=1.684 ppm2=8.242
assign ( resid 47 and name HB#
)
( resid 15 and name HE#
) 4.6 0.9 0.9 volume=1.043 peak=1365 ppm1=1.979 ppm2=2.185
assign ( resid 47 and name HB#
)
( resid 201 and name HB2
) 4.7 0.9 0.9 volume=0.295 peak=1366 ppm1=1.982 ppm2=2.614
assign ( resid 109 and name HE#
)
( resid 108 and name HB
) 3.8 0.8 0.8 volume=1.143 peak=1367 ppm1=1.457 ppm2=2.672
assign ( resid 116 and name HB#
)
( resid 68 and name HB
) 3.7 0.7 0.7 volume=1.182 peak=1368 ppm1=1.597 ppm2=2.166
assign ( resid 48 and name HB#
or resid 64 and name HB#
or resid 133 and name HB#
)
( resid 49 and name HB
or resid 65 and name HB3
or resid 65 and name HB2
or resid 107 and name HB
) 3.4 0.7 0.7 volume=2.273 peak=1369 ppm1=1.648 ppm2=2.386
assign ( resid 64 and name HB#
or resid 116 and name HB#
)
( resid 65 and name HG2
or resid 65 and name HG3
or resid 68 and name HB
) 3.4 0.7 0.7 volume=2.069 peak=1370 ppm1=1.646 ppm2=2.206
assign ( resid 177 and name HG2#
)
( resid 197 and name HG13
) 3.9 0.8 0.8 volume=0.957 peak=1371 ppm1=1.199 ppm2=1.775
assign ( resid 116 and name HB#
)
( resid 113 and name HA
) 3.9 0.8 0.8 volume=0.851 peak=1372 ppm1=1.597 ppm2=3.776
assign ( resid 64 and name HB#
)
( resid 66 and name HD3
or resid 66 and name HD2
) 4.8 1.0 1.0 volume=0.270 peak=1373 ppm1=1.648 ppm2=3.177
assign ( resid 83 and name HG2#
)
( resid 80 and name HA
or resid 83 and name HA
) 4.7 0.9 0.9 volume=0.288 peak=1374 ppm1=0.861 ppm2=4.382
assign ( resid 21 and name HB#
)
( resid 21 and name HA
) 3.1 0.6 0.6 volume=3.606 peak=1375 ppm1=1.521 ppm2=4.243
assign ( resid 102 and name HG2#
)
( resid 105 and name HB3
) 5.1 1.0 1.0 volume=0.193 peak=1376 ppm1=1.015 ppm2=2.952
assign ( resid 172 and name HB#
)
( resid 173 and name HG12
) 3.6 0.7 0.7 volume=1.445 peak=1377 ppm1=1.953 ppm2=1.400
assign ( resid 87 and name HD1#
)
( resid 86 and name HB3
or resid 90 and name HB3
) 3.6 0.7 0.7 volume=1.512 peak=1378 ppm1=1.002 ppm2=2.460
assign ( resid 213 and name HD1#
)
( resid 21 and name HB#
) 4.0 0.8 0.8 volume=2.212 peak=1379 ppm1=1.098 ppm2=1.522
assign ( resid 17 and name HG1#
or resid 107 and name HG2#
)
( resid 17 and name HB
or resid 107 and name HB
) 2.9 0.6 0.6 volume=6.009 peak=1380 ppm1=1.150 ppm2=2.369
assign ( resid 89 and name HD1#
)
( resid 89 and name HB2
) 3.4 0.7 0.7 volume=2.234 peak=1381 ppm1=0.205 ppm2=1.399
assign ( resid 89 and name HD1#
)
( resid 89 and name HD2#
) 3.5 0.7 0.7 volume=5.716 peak=1382 ppm1=0.204 ppm2=0.626
assign ( resid 167 and name HG2#
)
( resid 204 and name HG2#
) 5.7 1.1 1.1 volume=0.277 peak=1383 ppm1=-0.158 ppm2=1.798
assign ( resid 167 and name HG2#
)
( resid 170 and name HB3
) 5.0 1.0 1.0 volume=0.218 peak=1384 ppm1=-0.160 ppm2=2.462
assign ( resid 167 and name HG2#
)
( resid 168 and name H
) 4.5 0.9 0.9 volume=0.368 peak=1385 ppm1=-0.159 ppm2=8.798
assign ( resid 141 and name HD2#
)
( resid 167 and name HG2#
) 4.5 0.9 0.9 volume=1.220 peak=1386 ppm1=0.670 ppm2=-0.160
assign ( resid 189 and name HG2#
)
( resid 192 and name HB
) 4.1 0.8 0.8 volume=0.661 peak=1387 ppm1=1.614 ppm2=2.239
assign ( resid 189 and name HG2#
)
( resid 189 and name HA
) 3.8 0.8 0.8 volume=1.113 peak=1388 ppm1=1.615 ppm2=4.702
assign ( resid 189 and name HG2#
)
( resid 192 and name HG1#
or resid 192 and name HG2#
) 4.1 0.8 0.8 volume=2.032 peak=1389 ppm1=1.613 ppm2=1.141
assign ( resid 19 and name HG2#
)
( resid 20 and name H
or resid 46 and name H
) 3.9 0.8 0.8 volume=0.902 peak=1390 ppm1=1.424 ppm2=8.235
assign ( resid 19 and name HG2#
)
( resid 16 and name HA
or resid 41 and name HA
) 3.3 0.7 0.7 volume=2.314 peak=1391 ppm1=1.423 ppm2=4.098
assign ( resid 19 and name HG2#
)
( resid 19 and name HA
) 4.4 0.9 0.9 volume=0.427 peak=1392 ppm1=1.426 ppm2=4.797
assign ( resid 234 and name HG2#
)
( resid 234 and name HA
) 4.1 0.8 0.8 volume=0.720 peak=1393 ppm1=1.373 ppm2=4.712
assign ( resid 61 and name HG1#
)
( resid 61 and name HA
) 4.0 0.8 0.8 volume=0.740 peak=1394 ppm1=1.102 ppm2=4.771
assign ( resid 2 and name HG1#
or resid 41 and name HG1#
)
( resid 5 and name HB
or resid 19 and name HA
) 4.6 0.9 0.9 volume=0.343 peak=1395 ppm1=1.166 ppm2=4.836
assign ( resid 58 and name HG2#
)
( resid 54 and name HA
) 4.2 0.8 0.8 volume=0.601 peak=1396 ppm1=0.946 ppm2=4.391
assign ( resid 2 and name HG1#
)
( resid 2 and name HA
or resid 3 and name HA3
) 3.3 0.7 0.7 volume=2.719 peak=1397 ppm1=1.173 ppm2=4.318
assign ( resid 142 and name HG1#
)
( resid 142 and name HA
) 3.6 0.7 0.7 volume=1.417 peak=1398 ppm1=1.030 ppm2=4.237
assign ( resid 198 and name HG1#
)
( resid 198 and name HA
) 3.4 0.7 0.7 volume=2.196 peak=1399 ppm1=0.899 ppm2=4.146
assign ( resid 41 and name HG1#
)
( resid 38 and name HA
or resid 45 and name HA3
) 3.1 0.6 0.6 volume=3.343 peak=1400 ppm1=1.167 ppm2=3.776
assign ( resid 103 and name HG2#
)
( resid 100 and name HA
or resid 101 and name HA
) 4.0 0.8 0.8 volume=0.809 peak=1401 ppm1=1.222 ppm2=3.758
assign ( resid 218 and name HG2#
)
( resid 218 and name H
) 3.4 0.7 0.7 volume=2.140 peak=1402 ppm1=1.371 ppm2=7.977
assign ( resid 218 and name HG2#
or resid 234 and name HG2#
)
( resid 218 and name HA
or resid 219 and name HA
or resid 234 and name HB
) 2.9 0.6 0.6 volume=5.125 peak=1403 ppm1=1.371 ppm2=4.248
assign ( resid 218 and name HG2#
)
( resid 218 and name HB
) 2.9 0.6 0.6 volume=5.548 peak=1404 ppm1=1.369 ppm2=4.444
assign ( resid 106 and name HG2#
)
( resid 106 and name H
or resid 107 and name H
) 4.0 0.8 0.8 volume=0.770 peak=1405 ppm1=1.323 ppm2=8.279
assign ( resid 80 and name HG2#
)
( resid 108 and name HG2#
or resid 109 and name HE#
) 4.5 0.9 0.9 volume=1.200 peak=1406 ppm1=0.445 ppm2=1.455
assign ( resid 236 and name HB#
)
( resid 237 and name H
) 4.3 0.9 0.9 volume=0.489 peak=1407 ppm1=1.535 ppm2=7.993
assign ( resid 228 and name HB#
or resid 238 and name HB#
)
( resid 228 and name H
or resid 239 and name H
) 3.4 0.7 0.7 volume=2.108 peak=1408 ppm1=1.549 ppm2=8.218
assign ( resid 29 and name HB#
)
( resid 33 and name H
) 5.3 1.1 1.1 volume=0.148 peak=1409 ppm1=1.478 ppm2=8.168
assign ( resid 39 and name HG2#
)
( resid 86 and name H
) 4.6 0.9 0.9 volume=0.362 peak=1410 ppm1=1.756 ppm2=8.697
assign ( resid 39 and name HG2#
)
( resid 41 and name H
) 4.7 0.9 0.9 volume=0.298 peak=1411 ppm1=1.757 ppm2=8.292
assign ( resid 79 and name HG2#
)
( resid 46 and name HG2#
or resid 46 and name HD1#
or resid 78 and name HD1#
or resid 78 and name HD2#
) 3.8 0.8 0.8 volume=3.250 peak=1412 ppm1=1.711 ppm2=0.912
assign ( resid 79 and name HG2#
)
( resid 78 and name HB3
or resid 82 and name HG
) 4.3 0.9 0.9 volume=0.496 peak=1413 ppm1=1.715 ppm2=2.256
assign ( resid 39 and name HG2#
)
( resid 86 and name HB3
) 5.1 1.0 1.0 volume=0.177 peak=1414 ppm1=1.756 ppm2=2.450
assign ( resid 79 and name HG2#
)
( resid 46 and name HB
or resid 47 and name HB#
) 4.1 0.8 0.8 volume=0.980 peak=1415 ppm1=1.712 ppm2=1.988
assign ( resid 83 and name HD1#
)
( resid 204 and name HG2#
) 5.5 1.1 1.1 volume=0.339 peak=1416 ppm1=1.124 ppm2=1.774
assign ( resid 173 and name HG2#
)
( resid 200 and name HD1#
) 4.1 0.8 0.8 volume=1.913 peak=1417 ppm1=0.989 ppm2=0.274
assign ( resid 156 and name HD1#
)
( resid 90 and name HB2
or resid 156 and name HG13
or resid 159 and name HB2
) 3.0 0.6 0.6 volume=4.021 peak=1418 ppm1=0.961 ppm2=1.712
assign ( resid 43 and name HD1#
)
( resid 40 and name HD1#
) 4.7 0.9 0.9 volume=0.909 peak=1419 ppm1=0.847 ppm2=0.408
assign ( resid 194 and name HG2#
)
( resid 194 and name HG1#
) 4.0 0.8 0.8 volume=2.329 peak=1420 ppm1=0.800 ppm2=0.425
assign ( resid 135 and name HD1#
or resid 173 and name HD1#
)
( resid 135 and name HB
or resid 173 and name HB
or resid 173 and name HG13
) 3.0 0.6 0.6 volume=4.070 peak=1421 ppm1=0.998 ppm2=2.304
assign ( resid 219 and name HD1#
)
( resid 156 and name HD1#
or resid 159 and name HD1#
) 3.4 0.7 0.7 volume=6.647 peak=1422 ppm1=0.819 ppm2=1.010
assign ( resid 163 and name HD1#
)
( resid 212 and name HB#
) 4.7 0.9 0.9 volume=0.886 peak=1423 ppm1=0.273 ppm2=1.436
assign ( resid 4 and name HD1#
)
( resid 4 and name HG
) 3.4 0.7 0.7 volume=2.229 peak=1424 ppm1=0.674 ppm2=1.796
assign ( resid 90 and name HD2#
)
( resid 90 and name HB2
or resid 159 and name HB2
or resid 159 and name HG
or resid 163 and name HB3
or resid 163 and name HG
) 3.2 0.6 0.6 volume=3.047 peak=1425 ppm1=0.922 ppm2=1.687
assign ( resid 93 and name HD2#
)
( resid 97 and name HG3
or resid 145 and name HG2
or resid 145 and name HG3
) 3.7 0.7 0.7 volume=1.235 peak=1426 ppm1=0.755 ppm2=2.521
assign ( resid 89 and name HD1#
)
( resid 90 and name HD2#
) 5.2 1.0 1.0 volume=0.508 peak=1427 ppm1=0.203 ppm2=0.977
assign ( resid 4 and name HD1#
)
( resid 4 and name HA
or resid 191 and name HA
) 3.1 0.6 0.6 volume=3.512 peak=1428 ppm1=0.673 ppm2=3.787
assign ( resid 4 and name HD1#
)
( resid 69 and name HE#
) 4.8 1.0 1.0 volume=0.516 peak=1429 ppm1=0.674 ppm2=6.330
assign ( resid 4 and name HD1#
)
( resid 194 and name HG1#
) 4.6 0.9 0.9 volume=1.056 peak=1430 ppm1=0.674 ppm2=0.388
assign ( resid 19 and name HG2#
)
( resid 16 and name HD1#
or resid 16 and name HD2#
or resid 206 and name HG1#
) 3.6 0.7 0.7 volume=4.420 peak=1431 ppm1=1.425 ppm2=0.998
assign ( resid 19 and name HG2#
)
( resid 41 and name HG1#
) 3.5 0.7 0.7 volume=5.506 peak=1432 ppm1=1.422 ppm2=1.146
assign ( resid 4 and name HD2#
)
( resid 4 and name HD1#
) 3.4 0.7 0.7 volume=6.409 peak=1433 ppm1=0.909 ppm2=0.681
assign ( resid 7 and name HD2#
or resid 196 and name HD2#
)
( resid 194 and name HG1#
) 4.6 0.9 0.9 volume=1.007 peak=1434 ppm1=0.911 ppm2=0.434
assign ( resid 196 and name HD1#
or resid 196 and name HD2#
)
( resid 200 and name HD1#
) 5.6 1.1 1.1 volume=0.302 peak=1435 ppm1=0.920 ppm2=0.263
assign ( resid 219 and name HD2#
)
( resid 212 and name HB#
or resid 218 and name HG2#
) 3.8 0.8 0.8 volume=3.133 peak=1436 ppm1=0.852 ppm2=1.411
assign ( resid 7 and name HD1#
or resid 196 and name HD1#
)
( resid 7 and name HA
or resid 191 and name HB
or resid 196 and name HA
) 2.8 0.6 0.6 volume=6.449 peak=1437 ppm1=0.869 ppm2=4.076
assign ( resid 138 and name HG2#
)
( resid 138 and name HA
) 3.4 0.7 0.7 volume=1.967 peak=1438 ppm1=0.909 ppm2=3.389
assign ( resid 90 and name HD2#
)
( resid 156 and name HA
or resid 160 and name HA
) 3.9 0.8 0.8 volume=0.891 peak=1439 ppm1=0.923 ppm2=3.865
assign ( resid 168 and name HG1#
)
( resid 138 and name HA
or resid 168 and name HA
) 3.4 0.7 0.7 volume=2.210 peak=1440 ppm1=1.057 ppm2=3.423
assign ( resid 17 and name HG1#
or resid 132 and name HG1#
)
( resid 14 and name HA2
or resid 14 and name HA3
or resid 128 and name HA2
or resid 132 and name HA
or resid 136 and name HA3
) 3.0 0.6 0.6 volume=4.547 peak=1441 ppm1=1.160 ppm2=3.681
assign ( resid 168 and name HG2#
)
( resid 138 and name HA
or resid 168 and name HA
) 3.3 0.7 0.7 volume=2.302 peak=1442 ppm1=0.989 ppm2=3.421
assign ( resid 7 and name HD1#
or resid 196 and name HD1#
)
( resid 10 and name HB3
or resid 188 and name HG
or resid 196 and name HG
or resid 196 and name HB2
) 2.8 0.6 0.6 volume=6.372 peak=1443 ppm1=0.871 ppm2=2.092
assign ( resid 7 and name HD1#
)
( resid 7 and name HG
or resid 7 and name HB2
or resid 10 and name HB2
or resid 194 and name HB
) 3.2 0.6 0.6 volume=3.226 peak=1444 ppm1=0.869 ppm2=1.866
assign ( resid 17 and name HG1#
)
( resid 16 and name H
) 4.0 0.8 0.8 volume=0.750 peak=1445 ppm1=1.152 ppm2=8.987
assign ( resid 49 and name HG1#
)
( resid 51 and name H
) 4.7 0.9 0.9 volume=0.312 peak=1446 ppm1=1.196 ppm2=8.980
assign ( resid 41 and name HG1#
)
( resid 22 and name HB2
) 3.7 0.7 0.7 volume=1.198 peak=1447 ppm1=1.165 ppm2=3.365
assign ( resid 169 and name HG1#
)
( resid 169 and name HA
) 3.0 0.6 0.6 volume=4.870 peak=1448 ppm1=1.088 ppm2=3.788
assign ( resid 41 and name HG1#
)
( resid 39 and name HA
or resid 41 and name HA
or resid 45 and name HA2
) 3.1 0.6 0.6 volume=3.705 peak=1449 ppm1=1.162 ppm2=4.075
assign ( resid 41 and name HG1#
)
( resid 23 and name HB#
) 3.6 0.7 0.7 volume=4.541 peak=1450 ppm1=1.162 ppm2=1.716
assign ( resid 103 and name HG2#
)
( resid 102 and name HB
) 4.1 0.8 0.8 volume=0.680 peak=1451 ppm1=1.222 ppm2=2.150
assign ( resid 58 and name HG2#
)
( resid 58 and name HA
) 3.2 0.6 0.6 volume=3.250 peak=1452 ppm1=0.947 ppm2=3.984
assign ( resid 41 and name HG1#
)
( resid 19 and name HG2#
or resid 41 and name HG2#
) 2.9 0.6 0.6 volume=16.159 peak=1453 ppm1=1.159 ppm2=1.444
assign ( resid 56 and name HD1#
or resid 84 and name HG1#
)
( resid 52 and name HB#
or resid 102 and name HG13
or resid 137 and name HG
) 3.5 0.7 0.7 volume=2.262 peak=1454 ppm1=1.289 ppm2=1.603
assign ( resid 38 and name HG2#
)
( resid 39 and name HG2#
) 3.9 0.8 0.8 volume=2.919 peak=1455 ppm1=1.286 ppm2=1.723
assign ( resid 56 and name HD1#
)
( resid 5 and name HG2#
or resid 56 and name HB3
) 3.1 0.6 0.6 volume=5.820 peak=1456 ppm1=1.287 ppm2=1.873
assign ( resid 38 and name HG2#
)
( resid 38 and name HB
) 2.7 0.5 0.5 volume=7.900 peak=1457 ppm1=1.284 ppm2=2.291
assign ( resid 38 and name HG2#
or resid 84 and name HG1#
)
( resid 41 and name H
or resid 84 and name H
) 3.3 0.7 0.7 volume=2.535 peak=1458 ppm1=1.286 ppm2=8.277
assign ( resid 38 and name HG2#
or resid 56 and name HD1#
)
( resid 35 and name H
or resid 55 and name H
) 4.2 0.8 0.8 volume=0.604 peak=1459 ppm1=1.288 ppm2=8.472
assign ( resid 161 and name HG1#
)
( resid 161 and name HA
or resid 164 and name HD2
or resid 165 and name HB3
) 3.4 0.7 0.7 volume=2.050 peak=1460 ppm1=1.286 ppm2=3.209
assign ( resid 38 and name HG2#
)
( resid 41 and name HG2#
) 3.4 0.7 0.7 volume=6.004 peak=1461 ppm1=1.286 ppm2=1.473
assign ( resid 84 and name HG1#
or resid 161 and name HG1#
)
( resid 84 and name HG2#
or resid 87 and name HD2#
or resid 101 and name HG1#
or resid 101 and name HG2#
or resid 102 and name HD1#
or resid 161 and name HG2#
) 2.7 0.5 0.5 volume=25.217 peak=1462 ppm1=1.289 ppm2=1.080
assign ( resid 194 and name HG1#
)
( resid 198 and name HG2#
) 4.2 0.8 0.8 volume=1.670 peak=1463 ppm1=0.422 ppm2=1.123
assign ( resid 194 and name HG1#
)
( resid 7 and name HG
or resid 7 and name HB2
or resid 194 and name HB
) 3.8 0.8 0.8 volume=1.109 peak=1464 ppm1=0.428 ppm2=1.884
assign ( resid 40 and name HD1#
)
( resid 22 and name HB3
or resid 86 and name HB2
) 4.5 0.9 0.9 volume=0.413 peak=1465 ppm1=0.399 ppm2=3.545
assign ( resid 194 and name HG1#
)
( resid 4 and name HA
or resid 191 and name HA
) 4.3 0.9 0.9 volume=0.516 peak=1466 ppm1=0.409 ppm2=3.795
assign ( resid 40 and name HD1#
)
( resid 86 and name HE#
or resid 208 and name HD#
) 4.8 1.0 1.0 volume=0.552 peak=1467 ppm1=0.398 ppm2=6.982
assign ( resid 40 and name HD1#
)
( resid 37 and name HD#
or resid 37 and name H
or resid 86 and name HD#
) 4.4 0.9 0.9 volume=0.699 peak=1468 ppm1=0.399 ppm2=7.354
assign ( resid 194 and name HG1#
)
( resid 194 and name H
) 4.4 0.9 0.9 volume=0.466 peak=1469 ppm1=0.428 ppm2=8.157
assign ( resid 163 and name HD1#
)
( resid 212 and name H
) 4.4 0.9 0.9 volume=0.440 peak=1470 ppm1=0.273 ppm2=7.821
assign ( resid 163 and name HD1#
)
( resid 163 and name H
) 4.4 0.9 0.9 volume=0.458 peak=1471 ppm1=0.272 ppm2=8.183
assign ( resid 163 and name HD1#
)
( resid 160 and name HA
or resid 208 and name HA
) 4.1 0.8 0.8 volume=0.662 peak=1472 ppm1=0.273 ppm2=3.864
assign ( resid 163 and name HD1#
)
( resid 163 and name HA
or resid 212 and name HA
) 3.6 0.7 0.7 volume=1.390 peak=1473 ppm1=0.273 ppm2=4.107
assign ( resid 40 and name HD2#
or resid 163 and name HD2#
)
( resid 40 and name HA
or resid 163 and name HA
or resid 212 and name HA
) 3.9 0.8 0.8 volume=0.967 peak=1474 ppm1=0.517 ppm2=4.128
assign ( resid 41 and name HG1#
or resid 70 and name HG2#
)
( resid 41 and name HB
or resid 70 and name HB
) 3.1 0.6 0.6 volume=3.932 peak=1475 ppm1=1.161 ppm2=2.560
assign ( resid 53 and name HG1#
or resid 203 and name HG1#
)
( resid 53 and name HB
or resid 202 and name HB3
or resid 203 and name HB
) 2.8 0.6 0.6 volume=6.779 peak=1476 ppm1=0.983 ppm2=2.284
assign ( resid 55 and name HB#
)
( resid 5 and name HA
or resid 56 and name HA
) 4.5 0.9 0.9 volume=0.398 peak=1477 ppm1=0.189 ppm2=4.351
assign ( resid 166 and name HD1#
)
( resid 208 and name HD#
) 4.3 0.9 0.9 volume=1.076 peak=1478 ppm1=1.192 ppm2=6.975
assign ( resid 202 and name HD1#
)
( resid 51 and name HE#
) 5.9 1.2 1.2 volume=0.151 peak=1479 ppm1=0.865 ppm2=7.165
assign ( resid 166 and name HD1#
)
( resid 167 and name H
) 4.2 0.8 0.8 volume=0.626 peak=1480 ppm1=1.192 ppm2=7.846
assign ( resid 166 and name HD1#
)
( resid 166 and name H
or resid 208 and name H
) 3.7 0.7 0.7 volume=1.335 peak=1481 ppm1=1.192 ppm2=7.515
assign ( resid 166 and name HD2#
)
( resid 167 and name H
) 3.9 0.8 0.8 volume=0.896 peak=1482 ppm1=1.050 ppm2=7.846
assign ( resid 63 and name HG1#
)
( resid 64 and name HB#
or resid 116 and name HB#
) 4.2 0.8 0.8 volume=1.748 peak=1483 ppm1=0.818 ppm2=1.642
assign ( resid 63 and name HG1#
)
( resid 63 and name HB
or resid 117 and name HE#
) 3.5 0.7 0.7 volume=2.575 peak=1484 ppm1=0.819 ppm2=1.883
assign ( resid 63 and name HG1#
)
( resid 118 and name H
) 4.8 1.0 1.0 volume=0.273 peak=1485 ppm1=0.818 ppm2=7.336
assign ( resid 63 and name HG1#
)
( resid 64 and name H
) 3.8 0.8 0.8 volume=1.042 peak=1486 ppm1=0.819 ppm2=8.917
assign ( resid 70 and name HG1#
)
( resid 70 and name H
) 3.9 0.8 0.8 volume=0.890 peak=1487 ppm1=1.395 ppm2=8.733
assign ( resid 41 and name HG2#
)
( resid 22 and name H
) 4.1 0.8 0.8 volume=0.692 peak=1488 ppm1=1.460 ppm2=8.760
assign ( resid 206 and name HG2#
)
( resid 206 and name HB
) 3.6 0.7 0.7 volume=1.409 peak=1489 ppm1=1.403 ppm2=2.612
assign ( resid 138 and name HG2#
)
( resid 138 and name HG1#
) 3.6 0.7 0.7 volume=4.688 peak=1490 ppm1=0.908 ppm2=0.466
assign ( resid 108 and name HG2#
)
( resid 108 and name HG1#
) 4.2 0.8 0.8 volume=1.700 peak=1491 ppm1=1.493 ppm2=0.736
assign ( resid 108 and name HG2#
)
( resid 107 and name HG2#
) 4.0 0.8 0.8 volume=2.378 peak=1492 ppm1=1.492 ppm2=1.167
assign ( resid 108 and name HG2#
)
( resid 108 and name HB
) 4.1 0.8 0.8 volume=0.650 peak=1493 ppm1=1.493 ppm2=2.689
assign ( resid 108 and name HG2#
)
( resid 108 and name HA
or resid 134 and name HB3
or resid 134 and name HB2
) 3.8 0.8 0.8 volume=1.050 peak=1494 ppm1=1.493 ppm2=3.455
assign ( resid 108 and name HG2#
)
( resid 104 and name HA
or resid 131 and name HA
or resid 133 and name HA
) 4.3 0.9 0.9 volume=0.546 peak=1495 ppm1=1.493 ppm2=4.038
assign ( resid 108 and name HG2#
)
( resid 105 and name HA
or resid 106 and name HA
) 4.0 0.8 0.8 volume=0.762 peak=1496 ppm1=1.491 ppm2=4.297
assign ( resid 6 and name HG2#
)
( resid 9 and name HD1
) 5.0 1.0 1.0 volume=0.208 peak=1497 ppm1=1.430 ppm2=7.326
assign ( resid 108 and name HG2#
)
( resid 134 and name HD#
) 4.8 1.0 1.0 volume=0.534 peak=1498 ppm1=1.492 ppm2=7.316
assign ( resid 108 and name HG2#
)
( resid 108 and name H
) 3.9 0.8 0.8 volume=0.927 peak=1499 ppm1=1.493 ppm2=7.753
assign ( resid 108 and name HG2#
)
( resid 134 and name H
) 4.1 0.8 0.8 volume=0.687 peak=1500 ppm1=1.492 ppm2=8.533
assign ( resid 200 and name HD2#
or resid 219 and name HD1#
)
( resid 163 and name HD1#
or resid 200 and name HD1#
) 3.6 0.7 0.7 volume=4.521 peak=1501 ppm1=0.810 ppm2=0.269
assign ( resid 83 and name HD1#
)
( resid 84 and name H
) 4.8 1.0 1.0 volume=0.259 peak=1502 ppm1=1.122 ppm2=8.282
assign ( resid 87 and name HD2#
or resid 168 and name HG1#
)
( resid 167 and name HG2#
) 4.6 0.9 0.9 volume=1.037 peak=1503 ppm1=1.058 ppm2=-0.161
assign ( resid 87 and name HD2#
or resid 168 and name HG1#
)
( resid 141 and name HD2#
) 3.8 0.8 0.8 volume=2.971 peak=1504 ppm1=1.049 ppm2=0.669
assign ( resid 87 and name HD2#
)
( resid 163 and name HD2#
) 4.1 0.8 0.8 volume=1.988 peak=1505 ppm1=1.052 ppm2=0.525
assign ( resid 213 and name HD2#
)
( resid 40 and name HD2#
) 4.3 0.9 0.9 volume=1.538 peak=1506 ppm1=1.093 ppm2=0.505
assign ( resid 213 and name HD2#
)
( resid 37 and name HD#
) 4.2 0.8 0.8 volume=1.138 peak=1507 ppm1=1.095 ppm2=7.338
assign ( resid 89 and name HD1#
)
( resid 98 and name HZ
or resid 98 and name HD#
) 4.6 0.9 0.9 volume=0.452 peak=1508 ppm1=0.205 ppm2=7.307
assign ( resid 89 and name HD1#
)
( resid 36 and name HE#
) 4.6 0.9 0.9 volume=0.659 peak=1509 ppm1=0.204 ppm2=6.645
assign ( resid 89 and name HD1#
)
( resid 85 and name HE#
) 4.6 0.9 0.9 volume=0.713 peak=1510 ppm1=0.204 ppm2=6.459
assign ( resid 89 and name HD1#
)
( resid 86 and name HA
) 3.9 0.8 0.8 volume=0.879 peak=1511 ppm1=0.205 ppm2=3.927
assign ( resid 89 and name HD1#
)
( resid 89 and name HB3
) 3.7 0.7 0.7 volume=1.301 peak=1512 ppm1=0.205 ppm2=1.896
assign ( resid 90 and name HD1#
)
( resid 90 and name H
) 4.3 0.9 0.9 volume=0.526 peak=1513 ppm1=1.108 ppm2=7.826
assign ( resid 90 and name HD1#
)
( resid 89 and name H
or resid 160 and name H
) 4.6 0.9 0.9 volume=0.352 peak=1514 ppm1=1.109 ppm2=9.069
assign ( resid 90 and name HD1#
)
( resid 87 and name H
) 4.7 0.9 0.9 volume=0.288 peak=1515 ppm1=1.108 ppm2=8.622
assign ( resid 170 and name HD2#
)
( resid 203 and name H
) 4.6 0.9 0.9 volume=0.345 peak=1516 ppm1=1.153 ppm2=8.392
assign ( resid 90 and name HD2#
)
( resid 86 and name HD#
) 4.4 0.9 0.9 volume=0.831 peak=1517 ppm1=0.924 ppm2=7.358
assign ( resid 90 and name HD1#
)
( resid 86 and name HE#
or resid 160 and name HD#
) 4.7 0.9 0.9 volume=0.588 peak=1518 ppm1=1.109 ppm2=7.028
assign ( resid 170 and name HD2#
)
( resid 199 and name HE#
) 5.5 1.1 1.1 volume=0.225 peak=1519 ppm1=1.151 ppm2=6.690
assign ( resid 90 and name HD2#
)
( resid 36 and name HE#
or resid 86 and name HZ
) 4.1 0.8 0.8 volume=0.867 peak=1520 ppm1=0.924 ppm2=6.626
assign ( resid 90 and name HD1#
)
( resid 36 and name HD#
or resid 36 and name HE#
or resid 86 and name HZ
) 5.0 1.0 1.0 volume=0.310 peak=1521 ppm1=1.108 ppm2=6.649
assign ( resid 90 and name HD1#
)
( resid 87 and name HA
) 4.4 0.9 0.9 volume=0.464 peak=1522 ppm1=1.107 ppm2=4.417
assign ( resid 90 and name HD1#
)
( resid 90 and name HA
) 3.9 0.8 0.8 volume=0.922 peak=1523 ppm1=1.108 ppm2=4.139
assign ( resid 90 and name HD1#
)
( resid 156 and name HA
or resid 160 and name HA
) 3.8 0.8 0.8 volume=1.045 peak=1524 ppm1=1.111 ppm2=3.866
assign ( resid 90 and name HD1#
)
( resid 36 and name HB3
or resid 160 and name HB3
) 4.9 1.0 1.0 volume=0.220 peak=1525 ppm1=1.108 ppm2=3.022
assign ( resid 90 and name HD1#
)
( resid 160 and name HB2
) 5.0 1.0 1.0 volume=0.214 peak=1526 ppm1=1.111 ppm2=3.274
assign ( resid 90 and name HD1#
)
( resid 86 and name HB3
or resid 90 and name HB3
) 3.7 0.7 0.7 volume=1.161 peak=1527 ppm1=1.109 ppm2=2.455
assign ( resid 90 and name HD2#
)
( resid 86 and name HB3
or resid 90 and name HB3
) 3.6 0.7 0.7 volume=1.496 peak=1528 ppm1=0.924 ppm2=2.454
assign ( resid 93 and name HD2#
)
( resid 88 and name HA2
or resid 88 and name HA3
) 3.9 0.8 0.8 volume=0.925 peak=1529 ppm1=0.756 ppm2=3.751
assign ( resid 104 and name HD1#
)
( resid 107 and name HB
or resid 137 and name HB3
) 3.9 0.8 0.8 volume=0.952 peak=1530 ppm1=0.952 ppm2=2.407
assign ( resid 194 and name HG2#
)
( resid 197 and name HB
) 4.8 1.0 1.0 volume=0.267 peak=1531 ppm1=0.795 ppm2=2.294
assign ( resid 93 and name HD2#
)
( resid 145 and name HE#
) 3.9 0.8 0.8 volume=2.648 peak=1532 ppm1=0.755 ppm2=2.144
assign ( resid 100 and name HD1#
)
( resid 140 and name HE#
) 4.7 0.9 0.9 volume=0.622 peak=1533 ppm1=1.075 ppm2=6.882
assign ( resid 101 and name HG2#
or resid 161 and name HG2#
)
( resid 100 and name HB
or resid 101 and name HB
or resid 162 and name HB3
or resid 162 and name HB2
) 2.9 0.6 0.6 volume=5.498 peak=1534 ppm1=1.089 ppm2=2.032
assign ( resid 102 and name HD1#
)
( resid 98 and name HD#
) 4.0 0.8 0.8 volume=1.636 peak=1535 ppm1=1.026 ppm2=7.304
assign ( resid 102 and name HD1#
)
( resid 98 and name HE#
) 4.2 0.8 0.8 volume=1.163 peak=1536 ppm1=1.025 ppm2=7.534
assign ( resid 135 and name HD1#
)
( resid 135 and name H
) 3.6 0.7 0.7 volume=1.506 peak=1537 ppm1=1.006 ppm2=8.187
assign ( resid 197 and name HD1#
)
( resid 174 and name HA
) 4.2 0.8 0.8 volume=0.613 peak=1538 ppm1=1.086 ppm2=3.994
assign ( resid 102 and name HD1#
)
( resid 102 and name HA
) 3.4 0.7 0.7 volume=2.209 peak=1539 ppm1=1.026 ppm2=3.992
assign ( resid 135 and name HD1#
)
( resid 132 and name HA
or resid 136 and name HA3
) 3.4 0.7 0.7 volume=1.925 peak=1540 ppm1=1.005 ppm2=3.689
assign ( resid 102 and name HD1#
)
( resid 98 and name HB2
) 4.0 0.8 0.8 volume=0.772 peak=1541 ppm1=1.027 ppm2=3.182
assign ( resid 197 and name HD1#
)
( resid 197 and name HA
) 3.7 0.7 0.7 volume=1.271 peak=1542 ppm1=1.086 ppm2=3.864
assign ( resid 106 and name HG2#
)
( resid 107 and name HA
) 4.4 0.9 0.9 volume=0.447 peak=1543 ppm1=1.319 ppm2=3.521
assign ( resid 106 and name HG2#
)
( resid 106 and name HA
) 3.5 0.7 0.7 volume=1.892 peak=1544 ppm1=1.321 ppm2=4.258
assign ( resid 185 and name HG2#
)
( resid 184 and name HA2
or resid 185 and name HA
) 3.5 0.7 0.7 volume=1.793 peak=1545 ppm1=1.287 ppm2=4.294
assign ( resid 58 and name HG2#
)
( resid 59 and name H
) 3.7 0.7 0.7 volume=1.258 peak=1546 ppm1=0.947 ppm2=8.916
assign ( resid 13 and name HA
)
( resid 13 and name H
or resid 16 and name H
) 3.6 0.7 0.7 volume=0.469 peak=1547 ppm1=3.848 ppm2=9.004
assign ( resid 108 and name HG1#
)
( resid 108 and name HG2#
or resid 109 and name HE#
) 3.8 0.8 0.8 volume=3.119 peak=1548 ppm1=0.737 ppm2=1.479
assign ( resid 108 and name HG2#
)
( resid 111 and name H
) 5.3 1.1 1.1 volume=0.141 peak=1549 ppm1=1.496 ppm2=8.699
assign ( resid 118 and name HG1#
or resid 118 and name HG2#
)
( resid 118 and name HA
or resid 120 and name HA3
) 3.5 0.7 0.7 volume=1.649 peak=1550 ppm1=1.123 ppm2=4.548
assign ( resid 16 and name HD1#
)
( resid 13 and name HA
) 3.5 0.7 0.7 volume=1.739 peak=1551 ppm1=0.993 ppm2=3.854
assign ( resid 129 and name HE#
)
( resid 104 and name HD1#
or resid 107 and name HG1#
) 3.3 0.7 0.7 volume=7.224 peak=1552 ppm1=2.070 ppm2=0.980
assign ( resid 129 and name HE#
)
( resid 104 and name HD1#
or resid 132 and name HG2#
) 4.0 0.8 0.8 volume=2.260 peak=1553 ppm1=2.096 ppm2=0.986
assign ( resid 129 and name HE#
)
( resid 107 and name HG2#
or resid 132 and name HG1#
) 4.4 0.9 0.9 volume=1.400 peak=1554 ppm1=2.071 ppm2=1.144
assign ( resid 129 and name HE#
)
( resid 129 and name HA
) 3.7 0.7 0.7 volume=1.258 peak=1555 ppm1=2.070 ppm2=4.127
assign ( resid 129 and name HE#
)
( resid 133 and name HA
) 4.0 0.8 0.8 volume=0.775 peak=1556 ppm1=2.070 ppm2=4.025
assign ( resid 131 and name HB#
)
( resid 127 and name HE#
) 5.1 1.0 1.0 volume=0.361 peak=1557 ppm1=1.209 ppm2=7.212
assign ( resid 135 and name HD1#
)
( resid 136 and name H
) 4.1 0.8 0.8 volume=0.658 peak=1558 ppm1=1.004 ppm2=7.997
assign ( resid 137 and name HD1#
)
( resid 105 and name H
or resid 135 and name H
) 4.4 0.9 0.9 volume=0.475 peak=1559 ppm1=1.272 ppm2=8.223
assign ( resid 137 and name HD2#
)
( resid 105 and name HA
or resid 137 and name HA
) 3.3 0.7 0.7 volume=2.603 peak=1560 ppm1=1.190 ppm2=4.249
assign ( resid 137 and name HD1#
)
( resid 101 and name HB
or resid 138 and name HB
or resid 141 and name HB2
or resid 141 and name HG
) 4.0 0.8 0.8 volume=0.792 peak=1561 ppm1=1.273 ppm2=2.077
assign ( resid 137 and name HD2#
)
( resid 101 and name HB
or resid 138 and name HB
or resid 141 and name HG
) 3.4 0.7 0.7 volume=2.125 peak=1562 ppm1=1.190 ppm2=2.064
assign ( resid 137 and name HD2#
)
( resid 104 and name HB3
or resid 137 and name HG
) 3.1 0.6 0.6 volume=3.549 peak=1563 ppm1=1.190 ppm2=1.626
assign ( resid 137 and name HD2#
)
( resid 141 and name HD2#
) 4.3 0.9 0.9 volume=1.596 peak=1564 ppm1=1.190 ppm2=0.674
assign ( resid 137 and name HD1#
)
( resid 138 and name HG1#
) 5.0 1.0 1.0 volume=0.638 peak=1565 ppm1=1.273 ppm2=0.467
assign ( resid 106 and name HG2#
)
( resid 103 and name HA
) 4.4 0.9 0.9 volume=0.436 peak=1566 ppm1=1.322 ppm2=3.910
assign ( resid 106 and name HG2#
)
( resid 77 and name HG13
or resid 110 and name HB2
) 3.4 0.7 0.7 volume=2.243 peak=1567 ppm1=1.322 ppm2=2.015
assign ( resid 192 and name HG2#
)
( resid 189 and name HG2#
) 3.8 0.8 0.8 volume=3.218 peak=1568 ppm1=1.127 ppm2=1.660
assign ( resid 53 and name HG2#
or resid 192 and name HG2#
)
( resid 52 and name HB#
or resid 189 and name HG2#
) 3.7 0.7 0.7 volume=3.619 peak=1569 ppm1=1.126 ppm2=1.592
assign ( resid 10 and name HD1#
)
( resid 7 and name H
) 4.3 0.9 0.9 volume=0.515 peak=1570 ppm1=1.000 ppm2=7.534
assign ( resid 110 and name HD1#
)
( resid 113 and name HD#
) 4.9 1.0 1.0 volume=0.494 peak=1571 ppm1=0.957 ppm2=7.024
assign ( resid 141 and name HD2#
)
( resid 137 and name HG
) 3.7 0.7 0.7 volume=1.275 peak=1572 ppm1=0.669 ppm2=1.638
assign ( resid 141 and name HD2#
)
( resid 137 and name HB3
) 4.5 0.9 0.9 volume=0.388 peak=1573 ppm1=0.669 ppm2=2.439
assign ( resid 142 and name HG2#
)
( resid 143 and name H
) 3.6 0.7 0.7 volume=1.580 peak=1574 ppm1=1.076 ppm2=8.275
assign ( resid 142 and name HG2#
)
( resid 142 and name HB
) 3.1 0.6 0.6 volume=3.901 peak=1575 ppm1=1.074 ppm2=2.385
assign ( resid 146 and name HG2#
)
( resid 146 and name H
or resid 160 and name HD#
) 4.2 0.8 0.8 volume=0.834 peak=1576 ppm1=1.349 ppm2=7.089
assign ( resid 142 and name HG2#
)
( resid 142 and name HA
) 3.3 0.7 0.7 volume=2.284 peak=1577 ppm1=1.074 ppm2=4.250
assign ( resid 142 and name HG2#
)
( resid 139 and name HA
) 3.2 0.6 0.6 volume=2.920 peak=1578 ppm1=1.074 ppm2=4.128
assign ( resid 146 and name HG2#
)
( resid 146 and name HA
) 3.6 0.7 0.7 volume=1.459 peak=1579 ppm1=1.348 ppm2=4.077
assign ( resid 156 and name HD1#
)
( resid 156 and name H
) 4.0 0.8 0.8 volume=0.816 peak=1580 ppm1=0.960 ppm2=7.573
assign ( resid 206 and name HG2#
)
( resid 15 and name HA
) 4.2 0.8 0.8 volume=0.574 peak=1581 ppm1=1.399 ppm2=4.455
assign ( resid 90 and name HD2#
)
( resid 87 and name HA
) 4.6 0.9 0.9 volume=0.361 peak=1582 ppm1=0.924 ppm2=4.394
assign ( resid 16 and name HD2#
or resid 159 and name HD1#
)
( resid 16 and name HA
or resid 158 and name HB3
or resid 158 and name HB2
or resid 212 and name HA
) 2.8 0.6 0.6 volume=7.079 peak=1583 ppm1=1.000 ppm2=4.133
assign ( resid 16 and name HD2#
or resid 126 and name HD2#
or resid 159 and name HD1#
)
( resid 48 and name HB#
or resid 125 and name HB#
or resid 159 and name HB2
or resid 159 and name HG
or resid 163 and name HG
or resid 215 and name HB#
) 2.7 0.5 0.5 volume=12.912 peak=1584 ppm1=0.991 ppm2=1.684
assign ( resid 126 and name HD1#
)
( resid 127 and name H
) 3.6 0.7 0.7 volume=1.558 peak=1585 ppm1=0.991 ppm2=8.035
assign ( resid 126 and name HD1#
)
( resid 116 and name H
) 3.7 0.7 0.7 volume=1.255 peak=1586 ppm1=0.995 ppm2=7.957
assign ( resid 39 and name HG2#
)
( resid 36 and name H
or resid 39 and name H
) 4.5 0.9 0.9 volume=0.383 peak=1587 ppm1=1.756 ppm2=7.713
assign ( resid 206 and name HG2#
)
( resid 210 and name HD#
) 5.9 1.2 1.2 volume=0.147 peak=1588 ppm1=1.407 ppm2=7.550
assign ( resid 39 and name HG2#
)
( resid 40 and name H
) 4.7 0.9 0.9 volume=0.302 peak=1589 ppm1=1.758 ppm2=7.519
assign ( resid 41 and name HG2#
)
( resid 40 and name H
) 5.1 1.0 1.0 volume=0.191 peak=1590 ppm1=1.463 ppm2=7.520
assign ( resid 179 and name HD1#
)
( resid 124 and name HD#
) 4.4 0.9 0.9 volume=0.883 peak=1591 ppm1=0.788 ppm2=7.410
assign ( resid 41 and name HG2#
)
( resid 22 and name HD#
) 4.6 0.9 0.9 volume=0.716 peak=1592 ppm1=1.458 ppm2=7.190
assign ( resid 213 and name HD2#
)
( resid 22 and name HD#
or resid 210 and name HE#
) 4.0 0.8 0.8 volume=1.521 peak=1593 ppm1=1.098 ppm2=7.194
assign ( resid 79 and name HG2#
)
( resid 47 and name H
) 4.4 0.9 0.9 volume=0.468 peak=1594 ppm1=1.717 ppm2=6.896
assign ( resid 84 and name HG1#
or resid 161 and name HG1#
)
( resid 85 and name H
or resid 160 and name H
) 4.2 0.8 0.8 volume=0.588 peak=1595 ppm1=1.286 ppm2=9.107
assign ( resid 169 and name HG2#
)
( resid 168 and name H
) 4.4 0.9 0.9 volume=0.453 peak=1596 ppm1=1.216 ppm2=8.804
assign ( resid 5 and name HG2#
)
( resid 9 and name H
) 5.2 1.0 1.0 volume=0.172 peak=1597 ppm1=1.907 ppm2=8.778
assign ( resid 16 and name HD2#
or resid 126 and name HD2#
)
( resid 17 and name H
or resid 115 and name H
) 3.5 0.7 0.7 volume=1.762 peak=1598 ppm1=0.993 ppm2=8.670
assign ( resid 84 and name HG2#
)
( resid 84 and name H
) 3.8 0.8 0.8 volume=1.049 peak=1599 ppm1=1.084 ppm2=8.274
assign ( resid 138 and name HG1#
)
( resid 135 and name H
) 5.4 1.1 1.1 volume=0.134 peak=1600 ppm1=0.470 ppm2=8.203
assign ( resid 84 and name HG1#
)
( resid 83 and name H
) 4.4 0.9 0.9 volume=0.466 peak=1601 ppm1=1.286 ppm2=7.944
assign ( resid 200 and name HD2#
)
( resid 171 and name HD1
or resid 174 and name H
or resid 199 and name H
) 4.3 0.9 0.9 volume=0.527 peak=1602 ppm1=0.812 ppm2=7.511
assign ( resid 166 and name HD1#
)
( resid 207 and name HA3
or resid 208 and name HA
) 3.6 0.7 0.7 volume=1.439 peak=1603 ppm1=1.192 ppm2=3.864
assign ( resid 137 and name HD1#
)
( resid 102 and name HA
) 4.5 0.9 0.9 volume=0.366 peak=1604 ppm1=1.274 ppm2=3.987
assign ( resid 137 and name HD1#
)
( resid 101 and name HA
) 4.7 0.9 0.9 volume=0.309 peak=1605 ppm1=1.274 ppm2=3.749
assign ( resid 137 and name HD1#
)
( resid 138 and name HA
) 4.5 0.9 0.9 volume=0.413 peak=1606 ppm1=1.273 ppm2=3.431
assign ( resid 166 and name HD1#
)
( resid 207 and name HA2
) 4.7 0.9 0.9 volume=0.308 peak=1607 ppm1=1.193 ppm2=3.567
assign ( resid 196 and name HD2#
)
( resid 199 and name HB2
) 5.1 1.0 1.0 volume=0.179 peak=1608 ppm1=0.920 ppm2=3.077
assign ( resid 202 and name HD1#
)
( resid 199 and name HB2
) 5.0 1.0 1.0 volume=0.215 peak=1609 ppm1=0.869 ppm2=3.071
assign ( resid 166 and name HD1#
)
( resid 208 and name HB3
) 4.6 0.9 0.9 volume=0.349 peak=1610 ppm1=1.193 ppm2=3.001
assign ( resid 137 and name HD1#
)
( resid 105 and name HB3
or resid 140 and name HB3
) 4.8 1.0 1.0 volume=0.251 peak=1611 ppm1=1.274 ppm2=2.949
assign ( resid 163 and name HD2#
)
( resid 160 and name HA
or resid 208 and name HA
) 4.5 0.9 0.9 volume=0.415 peak=1612 ppm1=0.517 ppm2=3.852
assign ( resid 78 and name HD2#
or resid 202 and name HD1#
)
( resid 14 and name HA2
or resid 14 and name HA3
or resid 77 and name HA
) 4.2 0.8 0.8 volume=0.598 peak=1613 ppm1=0.869 ppm2=3.680
assign ( resid 40 and name HD2#
)
( resid 37 and name HB3
or resid 208 and name HB2
) 5.1 1.0 1.0 volume=0.176 peak=1614 ppm1=0.516 ppm2=3.259
assign ( resid 166 and name HD1#
)
( resid 208 and name HB2
) 4.5 0.9 0.9 volume=0.408 peak=1615 ppm1=1.192 ppm2=3.236
assign ( resid 180 and name HD2#
)
( resid 176 and name HB3
) 4.7 0.9 0.9 volume=0.306 peak=1616 ppm1=1.014 ppm2=3.120
assign ( resid 168 and name HG1#
)
( resid 168 and name H
) 3.6 0.7 0.7 volume=1.447 peak=1617 ppm1=1.054 ppm2=8.805
assign ( resid 170 and name HD2#
)
( resid 170 and name H
) 4.0 0.8 0.8 volume=0.829 peak=1618 ppm1=1.152 ppm2=7.902
assign ( resid 170 and name HD2#
)
( resid 169 and name HB
or resid 170 and name HG
) 3.2 0.6 0.6 volume=3.233 peak=1619 ppm1=1.152 ppm2=2.235
assign ( resid 173 and name HD1#
)
( resid 173 and name H
) 4.0 0.8 0.8 volume=0.741 peak=1620 ppm1=0.996 ppm2=7.860
assign ( resid 179 and name HD1#
or resid 200 and name HD2#
or resid 219 and name HD1#
)
( resid 179 and name HG
or resid 200 and name HG
or resid 219 and name HG
) 2.9 0.6 0.6 volume=5.922 peak=1621 ppm1=0.818 ppm2=1.851
assign ( resid 194 and name HG2#
)
( resid 194 and name H
) 3.9 0.8 0.8 volume=0.968 peak=1622 ppm1=0.800 ppm2=8.153
assign ( resid 179 and name HD1#
)
( resid 127 and name HE#
or resid 184 and name H
) 4.1 0.8 0.8 volume=0.875 peak=1623 ppm1=0.787 ppm2=7.193
assign ( resid 179 and name HD2#
)
( resid 127 and name HE#
or resid 184 and name H
) 4.0 0.8 0.8 volume=0.988 peak=1624 ppm1=0.873 ppm2=7.190
assign ( resid 179 and name HD2#
)
( resid 127 and name HD#
or resid 178 and name HZ3
) 4.3 0.9 0.9 volume=0.660 peak=1625 ppm1=0.873 ppm2=6.490
assign ( resid 179 and name HD1#
)
( resid 178 and name HZ3
) 3.8 0.8 0.8 volume=1.029 peak=1626 ppm1=0.787 ppm2=6.495
assign ( resid 56 and name HD2#
)
( resid 53 and name HA
) 3.4 0.7 0.7 volume=1.924 peak=1627 ppm1=1.055 ppm2=3.664
assign ( resid 185 and name HG2#
)
( resid 179 and name HB2
or resid 179 and name HG
or resid 187 and name HG
or resid 187 and name HB3
or resid 187 and name HB2
) 3.0 0.6 0.6 volume=4.032 peak=1628 ppm1=1.286 ppm2=1.792
assign ( resid 185 and name HG2#
)
( resid 180 and name HG
) 4.3 0.9 0.9 volume=0.528 peak=1629 ppm1=1.286 ppm2=2.182
assign ( resid 185 and name HG2#
)
( resid 180 and name HA
) 3.6 0.7 0.7 volume=1.484 peak=1630 ppm1=1.286 ppm2=4.625
assign ( resid 187 and name HD2#
)
( resid 187 and name H
or resid 188 and name H
) 3.6 0.7 0.7 volume=1.594 peak=1631 ppm1=1.098 ppm2=8.016
assign ( resid 213 and name HD1#
)
( resid 210 and name HD#
) 4.2 0.8 0.8 volume=1.203 peak=1632 ppm1=1.098 ppm2=7.553
assign ( resid 187 and name HD2#
)
( resid 180 and name HB2
or resid 187 and name HG
or resid 187 and name HB3
or resid 187 and name HB2
) 2.6 0.5 0.5 volume=11.411 peak=1633 ppm1=1.098 ppm2=1.803
assign ( resid 187 and name HD1#
)
( resid 187 and name HG
or resid 187 and name HB3
or resid 187 and name HB2
) 2.6 0.5 0.5 volume=10.447 peak=1634 ppm1=1.078 ppm2=1.791
assign ( resid 192 and name HG1#
)
( resid 192 and name H
) 3.5 0.7 0.7 volume=1.823 peak=1635 ppm1=1.148 ppm2=7.229
assign ( resid 194 and name HG2#
)
( resid 195 and name H
) 4.4 0.9 0.9 volume=0.440 peak=1636 ppm1=0.798 ppm2=8.342
assign ( resid 194 and name HG2#
)
( resid 8 and name HE#
or resid 69 and name HZ
or resid 69 and name HD#
) 4.1 0.8 0.8 volume=1.071 peak=1637 ppm1=0.800 ppm2=6.703
assign ( resid 197 and name HD1#
)
( resid 177 and name HB
) 3.7 0.7 0.7 volume=1.177 peak=1638 ppm1=1.085 ppm2=2.271
assign ( resid 197 and name HD1#
)
( resid 174 and name HD#
) 5.3 1.1 1.1 volume=0.292 peak=1639 ppm1=1.086 ppm2=7.092
assign ( resid 197 and name HD1#
)
( resid 76 and name HH2
) 4.0 0.8 0.8 volume=0.808 peak=1640 ppm1=1.086 ppm2=7.435
assign ( resid 197 and name HD1#
)
( resid 197 and name H
) 4.1 0.8 0.8 volume=0.715 peak=1641 ppm1=1.086 ppm2=8.053
assign ( resid 197 and name HD1#
)
( resid 200 and name HB2
) 3.1 0.6 0.6 volume=3.743 peak=1642 ppm1=1.085 ppm2=1.524
assign ( resid 198 and name HG2#
)
( resid 199 and name H
) 3.8 0.8 0.8 volume=1.115 peak=1643 ppm1=1.134 ppm2=7.528
assign ( resid 107 and name HG1#
)
( resid 104 and name HB3
or resid 133 and name HB#
) 3.4 0.7 0.7 volume=3.335 peak=1644 ppm1=0.915 ppm2=1.636
assign ( resid 198 and name HG2#
)
( resid 194 and name HG1#
) 4.3 0.9 0.9 volume=1.584 peak=1645 ppm1=1.134 ppm2=0.433
assign ( resid 219 and name HD1#
)
( resid 218 and name HA
or resid 219 and name HA
) 3.0 0.6 0.6 volume=4.772 peak=1646 ppm1=0.822 ppm2=4.260
assign ( resid 200 and name HD1#
)
( resid 177 and name HD1#
or resid 200 and name HD2#
) 3.5 0.7 0.7 volume=4.978 peak=1647 ppm1=0.274 ppm2=0.798
assign ( resid 204 and name HG2#
)
( resid 204 and name HA
) 4.1 0.8 0.8 volume=0.673 peak=1648 ppm1=1.813 ppm2=4.157
assign ( resid 204 and name HG2#
)
( resid 167 and name HG2#
) 5.8 1.2 1.2 volume=0.259 peak=1649 ppm1=1.812 ppm2=-0.132
assign ( resid 70 and name HG1#
or resid 206 and name HG2#
)
( resid 22 and name HE#
or resid 113 and name HE#
) 4.0 0.8 0.8 volume=1.555 peak=1650 ppm1=1.396 ppm2=7.150
assign ( resid 206 and name HG2#
)
( resid 202 and name HA
or resid 206 and name HA
) 3.7 0.7 0.7 volume=1.180 peak=1651 ppm1=1.404 ppm2=4.221
assign ( resid 41 and name HG2#
)
( resid 41 and name HA
) 3.5 0.7 0.7 volume=1.798 peak=1652 ppm1=1.460 ppm2=4.097
assign ( resid 41 and name HG2#
)
( resid 38 and name HA
or resid 45 and name HA3
) 3.9 0.8 0.8 volume=0.894 peak=1653 ppm1=1.460 ppm2=3.773
assign ( resid 70 and name HG1#
or resid 206 and name HG2#
)
( resid 14 and name HA2
or resid 14 and name HA3
or resid 59 and name HA2
or resid 59 and name HA3
) 4.7 0.9 0.9 volume=0.304 peak=1654 ppm1=1.397 ppm2=3.721
assign ( resid 41 and name HG2#
)
( resid 22 and name HB3
) 4.3 0.9 0.9 volume=0.546 peak=1655 ppm1=1.460 ppm2=3.532
assign ( resid 70 and name HG1#
or resid 206 and name HG2#
)
( resid 18 and name HA2
or resid 18 and name HA3
or resid 73 and name HB2
or resid 74 and name HA
or resid 207 and name HA2
or resid 210 and name HB3
) 4.2 0.8 0.8 volume=0.583 peak=1656 ppm1=1.403 ppm2=3.542
assign ( resid 41 and name HG2#
)
( resid 41 and name HB
) 3.6 0.7 0.7 volume=1.543 peak=1657 ppm1=1.459 ppm2=2.577
assign ( resid 70 and name HG1#
)
( resid 73 and name HB3
) 3.7 0.7 0.7 volume=1.314 peak=1658 ppm1=1.400 ppm2=2.482
assign ( resid 215 and name HB#
)
( resid 159 and name HD1#
) 3.6 0.7 0.7 volume=4.795 peak=1659 ppm1=1.668 ppm2=0.988
assign ( resid 215 and name HB#
)
( resid 211 and name HG2#
or resid 219 and name HD1#
or resid 219 and name HD2#
) 4.3 0.9 0.9 volume=1.529 peak=1660 ppm1=1.668 ppm2=0.849
assign ( resid 215 and name HB#
)
( resid 214 and name HB3
or resid 214 and name HB2
) 4.4 0.9 0.9 volume=0.434 peak=1661 ppm1=1.668 ppm2=2.830
assign ( resid 219 and name HD2#
)
( resid 216 and name HA
) 3.5 0.7 0.7 volume=1.881 peak=1662 ppm1=0.850 ppm2=4.067
assign ( resid 202 and name HD1#
)
( resid 11 and name HA2
or resid 11 and name HA3
or resid 199 and name HB3
) 4.4 0.9 0.9 volume=0.434 peak=1663 ppm1=0.869 ppm2=3.348
assign ( resid 7 and name HD2#
or resid 196 and name HD2#
)
( resid 195 and name HB#
) 4.0 0.8 0.8 volume=2.207 peak=1664 ppm1=0.917 ppm2=1.544
assign ( resid 219 and name HD2#
)
( resid 219 and name H
or resid 220 and name H
) 3.5 0.7 0.7 volume=1.795 peak=1665 ppm1=0.850 ppm2=8.021
assign ( resid 219 and name HD2#
)
( resid 159 and name HB2
or resid 159 and name HG
or resid 215 and name HB#
or resid 216 and name HB#
or resid 219 and name HB3
) 3.0 0.6 0.6 volume=5.711 peak=1666 ppm1=0.850 ppm2=1.660
assign ( resid 230 and name HG1#
)
( resid 230 and name HA
) 3.1 0.6 0.6 volume=3.584 peak=1667 ppm1=1.088 ppm2=4.372
assign ( resid 4 and name HD2#
)
( resid 4 and name HG
) 3.2 0.6 0.6 volume=2.826 peak=1668 ppm1=0.909 ppm2=1.778
assign ( resid 5 and name HG2#
)
( resid 55 and name HB#
) 4.5 0.9 0.9 volume=1.204 peak=1669 ppm1=1.908 ppm2=0.205
assign ( resid 23 and name HB#
or resid 125 and name HB#
)
( resid 23 and name H
or resid 128 and name H
) 3.1 0.6 0.6 volume=3.625 peak=1670 ppm1=1.698 ppm2=8.588
assign ( resid 63 and name HG2#
)
( resid 63 and name HB
or resid 117 and name HE#
) 3.0 0.6 0.6 volume=6.747 peak=1671 ppm1=1.039 ppm2=1.913
assign ( resid 108 and name HG1#
)
( resid 108 and name HA
or resid 134 and name HB3
or resid 134 and name HB2
) 3.9 0.8 0.8 volume=0.876 peak=1672 ppm1=0.738 ppm2=3.446
assign ( resid 227 and name HD1#
)
( resid 227 and name HA
or resid 228 and name HA
) 3.6 0.7 0.7 volume=1.449 peak=1673 ppm1=1.040 ppm2=4.476
assign ( resid 104 and name HD1#
or resid 110 and name HD1#
)
( resid 110 and name HA
or resid 137 and name HA
) 3.3 0.7 0.7 volume=2.477 peak=1674 ppm1=0.957 ppm2=4.283
assign ( resid 20 and name HD1#
)
( resid 17 and name HA
) 3.3 0.7 0.7 volume=2.583 peak=1675 ppm1=0.952 ppm2=3.587
assign ( resid 28 and name HB3
)
( resid 28 and name H
) 3.2 0.6 0.6 volume=0.961 peak=1676 ppm1=2.838 ppm2=7.914
assign ( resid 28 and name HB2
)
( resid 28 and name H
) 3.2 0.6 0.6 volume=1.049 peak=1677 ppm1=2.546 ppm2=7.915
assign ( resid 179 and name HB2
)
( resid 179 and name HD1#
or resid 179 and name HD2#
) 3.8 0.8 0.8 volume=1.144 peak=1678 ppm1=1.784 ppm2=0.835
assign ( resid 83 and name HG2#
)
( resid 86 and name HB3
) 3.8 0.8 0.8 volume=1.099 peak=1679 ppm1=0.862 ppm2=2.452
assign ( resid 13 and name HA
)
( resid 13 and name HG2#
or resid 13 and name HD1#
or resid 16 and name HD1#
or resid 16 and name HD2#
or resid 17 and name HG2#
) 3.3 0.7 0.7 volume=2.391 peak=1680 ppm1=3.847 ppm2=0.985
assign ( resid 43 and name HG2#
or resid 77 and name HG2#
)
( resid 43 and name HA
or resid 77 and name HA
) 3.4 0.7 0.7 volume=1.975 peak=1681 ppm1=0.992 ppm2=3.654
assign ( resid 13 and name HG12
)
( resid 13 and name H
or resid 16 and name H
) 3.6 0.7 0.7 volume=0.502 peak=1682 ppm1=1.368 ppm2=9.007
assign ( resid 13 and name HG12
)
( resid 13 and name HG2#
or resid 13 and name HD1#
or resid 16 and name HD1#
or resid 16 and name HD2#
or resid 17 and name HG2#
) 3.1 0.6 0.6 volume=3.347 peak=1683 ppm1=1.365 ppm2=0.976
assign ( resid 13 and name HG13
)
( resid 13 and name HG2#
or resid 13 and name HD1#
or resid 16 and name HD1#
or resid 16 and name HD2#
or resid 17 and name HG2#
or resid 132 and name HG2#
) 3.1 0.6 0.6 volume=3.469 peak=1684 ppm1=2.057 ppm2=0.979
assign ( resid 13 and name HG13
)
( resid 13 and name HG12
) 2.9 0.6 0.6 volume=1.754 peak=1685 ppm1=2.056 ppm2=1.365
assign ( resid 13 and name HG13
)
( resid 13 and name H
or resid 16 and name H
) 3.6 0.7 0.7 volume=0.529 peak=1686 ppm1=2.056 ppm2=9.011
assign ( resid 101 and name HA
)
( resid 101 and name HB
) 3.3 0.7 0.7 volume=0.841 peak=1687 ppm1=3.796 ppm2=2.044
assign ( resid 43 and name HA
or resid 46 and name HA
)
( resid 43 and name HB
or resid 46 and name HB
or resid 46 and name HG13
) 3.4 0.7 0.7 volume=0.740 peak=1688 ppm1=3.641 ppm2=2.041
assign ( resid 100 and name HA
)
( resid 100 and name HG12
or resid 100 and name HB
) 3.4 0.7 0.7 volume=0.665 peak=1689 ppm1=3.731 ppm2=1.979
assign ( resid 131 and name HA
)
( resid 131 and name HB#
) 3.7 0.7 0.7 volume=1.265 peak=1690 ppm1=4.005 ppm2=1.189
assign ( resid 149 and name HA
)
( resid 91 and name HA
) 3.7 0.7 0.7 volume=0.418 peak=1691 ppm1=3.995 ppm2=3.632
assign ( resid 21 and name HA
)
( resid 24 and name HB3
) 3.9 0.8 0.8 volume=0.323 peak=1692 ppm1=4.240 ppm2=3.609
assign ( resid 133 and name HA
)
( resid 135 and name HG13
) 4.2 0.8 0.8 volume=0.199 peak=1693 ppm1=4.066 ppm2=2.087
assign ( resid 212 and name HA
)
( resid 159 and name HB3
) 4.2 0.8 0.8 volume=0.206 peak=1694 ppm1=4.161 ppm2=2.131
assign ( resid 212 and name HA
)
( resid 159 and name HD1#
) 3.7 0.7 0.7 volume=1.234 peak=1695 ppm1=4.156 ppm2=0.991
assign ( resid 133 and name HA
)
( resid 104 and name HD1#
or resid 132 and name HG2#
) 3.6 0.7 0.7 volume=1.506 peak=1696 ppm1=4.067 ppm2=1.009
assign ( resid 195 and name HA
)
( resid 7 and name HD2#
or resid 198 and name HG1#
) 3.7 0.7 0.7 volume=1.298 peak=1697 ppm1=3.977 ppm2=0.941
assign ( resid 149 and name HA
)
( resid 149 and name HB#
or resid 156 and name HG2#
) 3.8 0.8 0.8 volume=1.083 peak=1698 ppm1=3.992 ppm2=1.103
assign ( resid 133 and name HA
or resid 216 and name HA
)
( resid 133 and name H
or resid 136 and name H
or resid 218 and name H
or resid 220 and name H
) 3.2 0.6 0.6 volume=0.983 peak=1699 ppm1=4.068 ppm2=7.974
assign ( resid 216 and name HA
)
( resid 216 and name H
or resid 217 and name H
) 3.2 0.6 0.6 volume=1.092 peak=1700 ppm1=4.060 ppm2=8.239
assign ( resid 198 and name HA
)
( resid 198 and name HG2#
) 4.0 0.8 0.8 volume=0.822 peak=1701 ppm1=4.173 ppm2=1.129
assign ( resid 198 and name HA
)
( resid 198 and name HG1#
or resid 202 and name HD1#
) 4.0 0.8 0.8 volume=0.800 peak=1702 ppm1=4.173 ppm2=0.900
assign ( resid 173 and name HA
)
( resid 173 and name HD1#
or resid 173 and name HG2#
) 3.6 0.7 0.7 volume=1.412 peak=1703 ppm1=4.148 ppm2=1.000
assign ( resid 135 and name HG12
)
( resid 135 and name HG13
) 3.1 0.6 0.6 volume=1.300 peak=1704 ppm1=1.481 ppm2=2.076
assign ( resid 135 and name HG12
)
( resid 132 and name HB
or resid 135 and name HB
) 3.6 0.7 0.7 volume=0.469 peak=1705 ppm1=1.483 ppm2=2.332
assign ( resid 135 and name HG12
)
( resid 135 and name HA
or resid 139 and name HB3
) 3.6 0.7 0.7 volume=0.492 peak=1706 ppm1=1.484 ppm2=3.595
assign ( resid 135 and name HG2#
)
( resid 135 and name HA
) 3.3 0.7 0.7 volume=2.714 peak=1707 ppm1=1.035 ppm2=3.603
assign ( resid 53 and name HA
or resid 132 and name HA
)
( resid 53 and name HB
or resid 132 and name HB
) 3.3 0.7 0.7 volume=0.808 peak=1708 ppm1=3.709 ppm2=2.301
assign ( resid 17 and name HA
)
( resid 16 and name HD1#
or resid 16 and name HD2#
or resid 17 and name HG2#
or resid 20 and name HD2#
or resid 20 and name HD1#
) 3.1 0.6 0.6 volume=3.585 peak=1709 ppm1=3.603 ppm2=0.974
assign ( resid 135 and name HB
)
( resid 136 and name HA3
) 3.8 0.8 0.8 volume=0.336 peak=1710 ppm1=2.338 ppm2=3.691
assign ( resid 138 and name HA
)
( resid 138 and name HG1#
) 3.9 0.8 0.8 volume=0.872 peak=1711 ppm1=3.380 ppm2=0.483
assign ( resid 168 and name HA
)
( resid 134 and name HE#
or resid 169 and name H
) 4.0 0.8 0.8 volume=0.357 peak=1712 ppm1=3.428 ppm2=7.488
assign ( resid 17 and name HA
or resid 192 and name HA
)
( resid 20 and name HG
or resid 20 and name HB3
or resid 196 and name HG
) 3.5 0.7 0.7 volume=0.554 peak=1713 ppm1=3.604 ppm2=2.065
assign ( resid 166 and name HD1#
)
( resid 163 and name HD1#
) 4.4 0.9 0.9 volume=1.380 peak=1714 ppm1=1.192 ppm2=0.267
assign ( resid 97 and name HA
)
( resid 97 and name HG2
) 3.7 0.7 0.7 volume=0.437 peak=1715 ppm1=4.233 ppm2=2.684
assign ( resid 129 and name HA
)
( resid 129 and name HG2
) 3.7 0.7 0.7 volume=0.399 peak=1716 ppm1=4.081 ppm2=2.629
assign ( resid 97 and name HA
)
( resid 97 and name HG3
) 3.5 0.7 0.7 volume=0.576 peak=1717 ppm1=4.224 ppm2=2.528
assign ( resid 129 and name HA
)
( resid 129 and name HG3
) 3.6 0.7 0.7 volume=0.482 peak=1718 ppm1=4.079 ppm2=2.514
assign ( resid 35 and name HA
)
( resid 38 and name HB
) 3.5 0.7 0.7 volume=0.592 peak=1719 ppm1=4.234 ppm2=2.325
assign ( resid 147 and name HA
)
( resid 147 and name HB3
or resid 147 and name HB2
) 2.8 0.6 0.6 volume=2.265 peak=1720 ppm1=4.259 ppm2=2.127
assign ( resid 27 and name HA
or resid 166 and name HA
)
( resid 27 and name HB3
or resid 166 and name HG
) 2.9 0.6 0.6 volume=1.756 peak=1721 ppm1=4.031 ppm2=1.901
assign ( resid 96 and name HA
or resid 97 and name HA
)
( resid 96 and name HB2
) 3.2 0.6 0.6 volume=1.048 peak=1722 ppm1=4.254 ppm2=1.842
assign ( resid 27 and name HA
)
( resid 27 and name HB2
) 3.1 0.6 0.6 volume=1.158 peak=1723 ppm1=4.031 ppm2=1.752
assign ( resid 96 and name HA
or resid 97 and name HA
)
( resid 96 and name HB3
) 3.3 0.7 0.7 volume=0.794 peak=1724 ppm1=4.259 ppm2=1.717
assign ( resid 145 and name HA
)
( resid 145 and name HE#
) 4.2 0.8 0.8 volume=0.630 peak=1725 ppm1=3.912 ppm2=2.131
assign ( resid 208 and name HA
)
( resid 166 and name HD1#
) 4.3 0.9 0.9 volume=0.517 peak=1726 ppm1=3.891 ppm2=1.189
assign ( resid 208 and name HA
)
( resid 166 and name HD2#
) 4.0 0.8 0.8 volume=0.806 peak=1727 ppm1=3.907 ppm2=1.077
assign ( resid 208 and name HA
)
( resid 211 and name HG2#
or resid 211 and name HD1#
) 4.4 0.9 0.9 volume=0.434 peak=1728 ppm1=3.885 ppm2=0.894
assign ( resid 24 and name HA
or resid 134 and name HA
)
( resid 27 and name HG2
or resid 108 and name HG2#
) 3.8 0.8 0.8 volume=0.529 peak=1729 ppm1=4.360 ppm2=1.482
assign ( resid 54 and name HA
or resid 134 and name HA
)
( resid 53 and name HG1#
or resid 58 and name HG1#
or resid 58 and name HG2#
or resid 104 and name HD1#
or resid 138 and name HG2#
) 4.5 0.9 0.9 volume=0.408 peak=1730 ppm1=4.354 ppm2=0.964
assign ( resid 208 and name HA
)
( resid 208 and name HD#
) 5.0 1.0 1.0 volume=0.139 peak=1731 ppm1=3.894 ppm2=6.978
assign ( resid 191 and name HB
)
( resid 191 and name HG2#
) 3.5 0.7 0.7 volume=1.708 peak=1732 ppm1=4.080 ppm2=1.259
assign ( resid 146 and name HB
or resid 218 and name HB
)
( resid 146 and name HG2#
or resid 218 and name HG2#
) 3.0 0.6 0.6 volume=4.165 peak=1733 ppm1=4.453 ppm2=1.364
assign ( resid 218 and name HB
)
( resid 219 and name HG
) 3.9 0.8 0.8 volume=0.329 peak=1734 ppm1=4.451 ppm2=1.882
assign ( resid 149 and name HA
)
( resid 149 and name H
) 3.8 0.8 0.8 volume=0.381 peak=1735 ppm1=3.994 ppm2=7.977
assign ( resid 163 and name HD1#
)
( resid 87 and name HD1#
or resid 159 and name HD1#
or resid 166 and name HD2#
) 4.1 0.8 0.8 volume=2.133 peak=1736 ppm1=0.273 ppm2=0.995
assign ( resid 163 and name HD1#
)
( resid 211 and name HG2#
) 4.0 0.8 0.8 volume=2.405 peak=1737 ppm1=0.273 ppm2=0.877
assign ( resid 163 and name HA
)
( resid 163 and name HD1#
) 4.5 0.9 0.9 volume=0.393 peak=1738 ppm1=4.100 ppm2=0.270
assign ( resid 166 and name HD1#
)
( resid 211 and name HG2#
or resid 211 and name HD1#
) 3.7 0.7 0.7 volume=3.868 peak=1739 ppm1=1.191 ppm2=0.898
assign ( resid 166 and name HD1#
)
( resid 166 and name HG
) 3.3 0.7 0.7 volume=2.490 peak=1740 ppm1=1.191 ppm2=1.903
assign ( resid 170 and name HD2#
)
( resid 166 and name HG
or resid 200 and name HG
or resid 204 and name HG2#
) 3.5 0.7 0.7 volume=2.242 peak=1741 ppm1=1.152 ppm2=1.855
assign ( resid 170 and name HD2#
)
( resid 170 and name HA
) 4.1 0.8 0.8 volume=0.689 peak=1742 ppm1=1.153 ppm2=4.511
assign ( resid 177 and name HA
)
( resid 177 and name HD1#
) 4.4 0.9 0.9 volume=0.456 peak=1743 ppm1=3.825 ppm2=0.773
assign ( resid 156 and name HA
)
( resid 90 and name HB2
or resid 156 and name HG13
or resid 159 and name HB2
or resid 159 and name HG
) 3.4 0.7 0.7 volume=0.643 peak=1744 ppm1=3.857 ppm2=1.688
assign ( resid 177 and name HB
)
( resid 174 and name HA
) 4.1 0.8 0.8 volume=0.238 peak=1745 ppm1=2.221 ppm2=3.994
assign ( resid 194 and name HG2#
)
( resid 4 and name HA
or resid 191 and name HA
) 4.3 0.9 0.9 volume=0.485 peak=1746 ppm1=0.797 ppm2=3.780
assign ( resid 194 and name HG2#
)
( resid 194 and name HA
) 4.2 0.8 0.8 volume=0.617 peak=1747 ppm1=0.799 ppm2=3.320
assign ( resid 227 and name HD2#
or resid 240 and name HD1#
)
( resid 227 and name HB3
or resid 227 and name HB2
or resid 227 and name HG
or resid 240 and name HG
or resid 240 and name HB2
or resid 240 and name HB3
) 2.5 0.5 0.5 volume=13.486 peak=1748 ppm1=0.996 ppm2=1.784
assign ( resid 137 and name HD2#
)
( resid 137 and name HB3
) 3.9 0.8 0.8 volume=0.988 peak=1749 ppm1=1.190 ppm2=2.390
assign ( resid 56 and name HD2#
)
( resid 56 and name HG
) 2.9 0.6 0.6 volume=5.226 peak=1750 ppm1=1.052 ppm2=2.129
assign ( resid 20 and name HD1#
or resid 110 and name HD1#
)
( resid 20 and name HG
or resid 20 and name HB3
or resid 77 and name HG13
or resid 110 and name HG
) 2.5 0.5 0.5 volume=13.400 peak=1751 ppm1=0.953 ppm2=2.033
assign ( resid 56 and name HD2#
)
( resid 52 and name HB#
) 4.0 0.8 0.8 volume=2.210 peak=1752 ppm1=1.051 ppm2=1.636
assign ( resid 194 and name HG2#
)
( resid 195 and name HB#
) 5.1 1.0 1.0 volume=0.533 peak=1753 ppm1=0.800 ppm2=1.540
assign ( resid 20 and name HD1#
or resid 110 and name HD1#
)
( resid 20 and name HB2
or resid 110 and name HB3
) 2.7 0.5 0.5 volume=8.349 peak=1754 ppm1=0.955 ppm2=1.530
assign ( resid 16 and name HD1#
)
( resid 13 and name HG12
or resid 19 and name HG2#
) 2.0 0.3 0.4 volume=67.229 peak=1755 ppm1=0.988 ppm2=1.410
assign ( resid 187 and name HD2#
)
( resid 185 and name HG1#
or resid 185 and name HG2#
) 3.3 0.7 0.7 volume=7.059 peak=1756 ppm1=1.099 ppm2=1.287
assign ( resid 110 and name HD1#
)
( resid 106 and name HG2#
) 3.4 0.7 0.7 volume=6.719 peak=1757 ppm1=0.957 ppm2=1.285
assign ( resid 102 and name HG12
)
( resid 102 and name HA
) 3.2 0.6 0.6 volume=1.070 peak=1758 ppm1=1.773 ppm2=4.020
assign ( resid 225 and name HB3
)
( resid 225 and name H
or resid 226 and name H
) 3.6 0.7 0.7 volume=0.457 peak=1759 ppm1=2.249 ppm2=8.424
assign ( resid 168 and name HB
)
( resid 165 and name HA
) 4.2 0.8 0.8 volume=0.195 peak=1760 ppm1=2.129 ppm2=4.362
assign ( resid 185 and name HB
)
( resid 184 and name HA3
) 3.9 0.8 0.8 volume=0.292 peak=1761 ppm1=2.569 ppm2=4.134
assign ( resid 58 and name HB
or resid 77 and name HG13
)
( resid 58 and name HA
or resid 73 and name HA
) 3.4 0.7 0.7 volume=0.684 peak=1762 ppm1=2.049 ppm2=3.969
assign ( resid 138 and name HB
or resid 162 and name HB2
)
( resid 139 and name HA
or resid 162 and name HA
or resid 163 and name HA
) 3.2 0.6 0.6 volume=0.963 peak=1763 ppm1=2.070 ppm2=4.142
assign ( resid 118 and name HB
)
( resid 120 and name HA2
) 3.0 0.6 0.6 volume=1.373 peak=1764 ppm1=2.324 ppm2=4.282
assign ( resid 230 and name HB
)
( resid 232 and name HB
) 3.3 0.7 0.7 volume=0.898 peak=1765 ppm1=2.309 ppm2=4.425
assign ( resid 156 and name HG12
or resid 211 and name HG12
)
( resid 156 and name HD1#
or resid 211 and name HD1#
) 3.4 0.7 0.7 volume=2.000 peak=1766 ppm1=1.257 ppm2=0.944
assign ( resid 43 and name HB
or resid 77 and name HB
)
( resid 43 and name HD1#
or resid 74 and name HG2#
or resid 77 and name HD1#
or resid 78 and name HD1#
or resid 78 and name HD2#
) 3.7 0.7 0.7 volume=1.302 peak=1767 ppm1=2.041 ppm2=0.878
assign ( resid 156 and name HG12
or resid 211 and name HG12
)
( resid 156 and name HA
or resid 207 and name HA3
or resid 208 and name HA
or resid 211 and name HA
) 3.4 0.7 0.7 volume=0.698 peak=1768 ppm1=1.257 ppm2=3.845
assign ( resid 100 and name HG13
)
( resid 100 and name HA
) 3.9 0.8 0.8 volume=0.307 peak=1769 ppm1=1.144 ppm2=3.736
assign ( resid 100 and name HG12
)
( resid 100 and name HG2#
) 4.2 0.8 0.8 volume=0.547 peak=1770 ppm1=1.964 ppm2=0.710
assign ( resid 100 and name HG12
)
( resid 100 and name HD1#
or resid 101 and name HG2#
) 3.5 0.7 0.7 volume=1.799 peak=1771 ppm1=1.964 ppm2=1.083
assign ( resid 221 and name HB#
)
( resid 222 and name HB3
or resid 222 and name HB2
) 3.9 0.8 0.8 volume=0.933 peak=1772 ppm1=1.637 ppm2=2.172
assign ( resid 13 and name HB
)
( resid 13 and name HG2#
or resid 13 and name HD1#
) 3.2 0.6 0.6 volume=3.105 peak=1773 ppm1=2.143 ppm2=0.978
assign ( resid 13 and name HB
)
( resid 13 and name H
) 3.4 0.7 0.7 volume=0.742 peak=1774 ppm1=2.143 ppm2=9.011
assign ( resid 102 and name HB
or resid 156 and name HB
)
( resid 102 and name H
or resid 157 and name H
) 3.3 0.7 0.7 volume=0.762 peak=1775 ppm1=2.163 ppm2=8.637
assign ( resid 43 and name HB
or resid 77 and name HB
)
( resid 40 and name HB2
or resid 43 and name HG2#
or resid 77 and name HG2#
or resid 82 and name HD1#
) 3.4 0.7 0.7 volume=1.349 peak=1776 ppm1=2.041 ppm2=0.990
assign ( resid 100 and name HA
)
( resid 100 and name HG2#
) 4.0 0.8 0.8 volume=0.806 peak=1777 ppm1=3.749 ppm2=0.694
assign ( resid 100 and name HG13
)
( resid 100 and name HG2#
) 4.2 0.8 0.8 volume=0.591 peak=1778 ppm1=1.139 ppm2=0.712
assign ( resid 100 and name HG13
)
( resid 100 and name HG12
or resid 100 and name HB
) 3.3 0.7 0.7 volume=0.887 peak=1779 ppm1=1.140 ppm2=1.965
assign ( resid 100 and name HB
)
( resid 100 and name HD1#
or resid 101 and name HG1#
or resid 101 and name HG2#
) 3.7 0.7 0.7 volume=1.221 peak=1780 ppm1=1.982 ppm2=1.076
assign ( resid 102 and name HA
)
( resid 84 and name HG2#
or resid 101 and name HG1#
or resid 102 and name HD1#
or resid 102 and name HG2#
) 3.6 0.7 0.7 volume=1.395 peak=1781 ppm1=3.997 ppm2=1.033
assign ( resid 102 and name HG12
)
( resid 102 and name H
) 3.7 0.7 0.7 volume=0.445 peak=1782 ppm1=1.781 ppm2=8.643
assign ( resid 156 and name HG12
)
( resid 157 and name H
) 4.5 0.9 0.9 volume=0.128 peak=1783 ppm1=1.270 ppm2=8.608
assign ( resid 102 and name HB
or resid 156 and name HB
)
( resid 102 and name HG12
or resid 156 and name HG13
) 3.4 0.7 0.7 volume=0.720 peak=1784 ppm1=2.163 ppm2=1.765
assign ( resid 121 and name HB
)
( resid 121 and name HG2#
) 3.2 0.6 0.6 volume=3.038 peak=1785 ppm1=2.314 ppm2=1.273
assign ( resid 121 and name HB
)
( resid 121 and name HG12
) 3.2 0.6 0.6 volume=0.981 peak=1786 ppm1=2.313 ppm2=1.848
assign ( resid 121 and name HB
)
( resid 121 and name HG13
) 3.2 0.6 0.6 volume=1.018 peak=1787 ppm1=2.314 ppm2=1.696
assign ( resid 121 and name HB
)
( resid 121 and name HA
or resid 122 and name HA
) 3.2 0.6 0.6 volume=1.020 peak=1788 ppm1=2.314 ppm2=4.284
assign ( resid 121 and name HG12
)
( resid 121 and name H
) 3.7 0.7 0.7 volume=0.387 peak=1789 ppm1=1.839 ppm2=8.682
assign ( resid 121 and name HG13
)
( resid 121 and name H
) 3.6 0.7 0.7 volume=0.509 peak=1790 ppm1=1.699 ppm2=8.679
assign ( resid 135 and name HA
)
( resid 135 and name HG12
) 3.7 0.7 0.7 volume=0.399 peak=1791 ppm1=3.591 ppm2=1.471
assign ( resid 135 and name HA
)
( resid 135 and name HD1#
or resid 135 and name HG2#
) 3.6 0.7 0.7 volume=1.473 peak=1792 ppm1=3.592 ppm2=1.019
assign ( resid 213 and name HG
)
( resid 213 and name HD2#
) 2.9 0.6 0.6 volume=5.845 peak=1793 ppm1=2.186 ppm2=1.067
assign ( resid 20 and name HG
or resid 196 and name HG
)
( resid 20 and name HD2#
or resid 20 and name HD1#
or resid 196 and name HD2#
) 2.8 0.6 0.6 volume=7.324 peak=1794 ppm1=2.066 ppm2=0.949
assign ( resid 173 and name HG13
)
( resid 173 and name HG12
) 3.4 0.7 0.7 volume=0.651 peak=1795 ppm1=2.285 ppm2=1.360
assign ( resid 173 and name HA
)
( resid 173 and name HG12
or resid 177 and name HG13
) 3.8 0.8 0.8 volume=0.379 peak=1796 ppm1=4.151 ppm2=1.376
assign ( resid 177 and name HG12
)
( resid 177 and name HD1#
) 4.2 0.8 0.8 volume=0.598 peak=1797 ppm1=1.604 ppm2=0.759
assign ( resid 173 and name HG12
or resid 177 and name HG13
)
( resid 177 and name HD1#
or resid 200 and name HD2#
) 4.1 0.8 0.8 volume=0.665 peak=1798 ppm1=1.358 ppm2=0.769
assign ( resid 211 and name HG13
)
( resid 211 and name HG2#
or resid 211 and name HD1#
) 4.0 0.8 0.8 volume=0.815 peak=1799 ppm1=1.973 ppm2=0.894
assign ( resid 17 and name HA
)
( resid 17 and name HB
) 3.5 0.7 0.7 volume=0.553 peak=1800 ppm1=3.604 ppm2=2.400
assign ( resid 17 and name HB
)
( resid 17 and name H
) 3.4 0.7 0.7 volume=0.718 peak=1801 ppm1=2.392 ppm2=8.659
assign ( resid 17 and name HB
or resid 49 and name HB
)
( resid 17 and name HA
or resid 46 and name HA
or resid 49 and name HA
) 3.5 0.7 0.7 volume=0.574 peak=1802 ppm1=2.429 ppm2=3.614
assign ( resid 17 and name HB
)
( resid 17 and name HA
or resid 18 and name HA2
or resid 18 and name HA3
) 3.5 0.7 0.7 volume=0.625 peak=1803 ppm1=2.397 ppm2=3.587
assign ( resid 38 and name HB
)
( resid 38 and name H
) 3.3 0.7 0.7 volume=0.834 peak=1804 ppm1=2.308 ppm2=8.768
assign ( resid 38 and name HA
or resid 167 and name HA
or resid 169 and name HA
)
( resid 169 and name HB
or resid 170 and name HG
) 3.3 0.7 0.7 volume=0.766 peak=1805 ppm1=3.786 ppm2=2.254
assign ( resid 41 and name HG2#
)
( resid 41 and name H
or resid 43 and name H
) 3.6 0.7 0.7 volume=1.465 peak=1806 ppm1=1.459 ppm2=8.311
assign ( resid 41 and name HG2#
)
( resid 23 and name H
or resid 42 and name H
) 3.7 0.7 0.7 volume=1.246 peak=1807 ppm1=1.460 ppm2=8.578
assign ( resid 2 and name HG1#
or resid 41 and name HG1#
)
( resid 3 and name H
or resid 23 and name H
or resid 42 and name H
) 3.4 0.7 0.7 volume=1.941 peak=1808 ppm1=1.163 ppm2=8.568
assign ( resid 49 and name HB
)
( resid 49 and name H
) 3.5 0.7 0.7 volume=0.584 peak=1809 ppm1=2.432 ppm2=7.679
assign ( resid 38 and name HB
)
( resid 39 and name H
) 3.4 0.7 0.7 volume=0.675 peak=1810 ppm1=2.296 ppm2=7.719
assign ( resid 198 and name HB
)
( resid 199 and name H
) 3.6 0.7 0.7 volume=0.524 peak=1811 ppm1=2.332 ppm2=7.513
assign ( resid 169 and name HB
)
( resid 170 and name H
) 3.7 0.7 0.7 volume=0.436 peak=1812 ppm1=2.236 ppm2=7.917
assign ( resid 168 and name HB
)
( resid 169 and name H
) 3.8 0.8 0.8 volume=0.344 peak=1813 ppm1=2.118 ppm2=7.494
assign ( resid 101 and name HB
)
( resid 140 and name HD#
) 4.6 0.9 0.9 volume=0.219 peak=1814 ppm1=2.056 ppm2=7.159
assign ( resid 41 and name HB
)
( resid 23 and name H
or resid 42 and name H
) 4.2 0.8 0.8 volume=0.199 peak=1815 ppm1=2.581 ppm2=8.562
assign ( resid 49 and name HB
)
( resid 50 and name H
) 3.7 0.7 0.7 volume=0.396 peak=1816 ppm1=2.430 ppm2=8.547
assign ( resid 58 and name HG1#
or resid 198 and name HG1#
)
( resid 58 and name HA
or resid 195 and name HA
) 3.3 0.7 0.7 volume=2.721 peak=1817 ppm1=0.895 ppm2=3.987
assign ( resid 58 and name HA
)
( resid 58 and name HG1#
or resid 58 and name HG2#
) 3.4 0.7 0.7 volume=2.000 peak=1818 ppm1=3.980 ppm2=0.923
assign ( resid 61 and name HB
)
( resid 61 and name HG2#
or resid 68 and name HG1#
or resid 68 and name HG2#
) 3.3 0.7 0.7 volume=2.386 peak=1819 ppm1=2.199 ppm2=1.051
assign ( resid 61 and name HG2#
)
( resid 61 and name H
) 4.0 0.8 0.8 volume=0.802 peak=1820 ppm1=1.028 ppm2=9.167
assign ( resid 61 and name HB
)
( resid 61 and name H
) 3.7 0.7 0.7 volume=0.417 peak=1821 ppm1=2.198 ppm2=9.156
assign ( resid 63 and name HB
)
( resid 63 and name HG2#
or resid 68 and name HG1#
or resid 68 and name HG2#
) 3.5 0.7 0.7 volume=1.690 peak=1822 ppm1=1.870 ppm2=1.026
assign ( resid 63 and name HB
)
( resid 63 and name HG1#
) 3.7 0.7 0.7 volume=1.244 peak=1823 ppm1=1.870 ppm2=0.816
assign ( resid 63 and name HB
)
( resid 63 and name H
or resid 65 and name H
) 3.8 0.8 0.8 volume=0.361 peak=1824 ppm1=1.867 ppm2=8.627
assign ( resid 139 and name HA
)
( resid 139 and name H
) 3.4 0.7 0.7 volume=0.709 peak=1825 ppm1=4.099 ppm2=8.584
assign ( resid 86 and name HA
)
( resid 86 and name H
) 4.1 0.8 0.8 volume=0.222 peak=1826 ppm1=3.927 ppm2=8.684
assign ( resid 58 and name HA
)
( resid 60 and name H
) 4.1 0.8 0.8 volume=0.218 peak=1827 ppm1=3.984 ppm2=8.500
assign ( resid 199 and name HA
)
( resid 199 and name H
) 3.8 0.8 0.8 volume=0.337 peak=1828 ppm1=4.092 ppm2=7.518
assign ( resid 36 and name HA
)
( resid 37 and name H
or resid 86 and name HD#
) 3.9 0.8 0.8 volume=0.384 peak=1829 ppm1=4.088 ppm2=7.359
assign ( resid 36 and name HA
or resid 139 and name HA
or resid 199 and name HA
)
( resid 86 and name HE#
or resid 139 and name HD#
or resid 199 and name HD#
) 3.7 0.7 0.7 volume=0.815 peak=1830 ppm1=4.101 ppm2=6.980
assign ( resid 63 and name HA
)
( resid 63 and name HB
) 3.8 0.8 0.8 volume=0.378 peak=1831 ppm1=4.075 ppm2=1.881
assign ( resid 36 and name HA
or resid 63 and name HA
or resid 199 and name HA
)
( resid 61 and name HG2#
or resid 63 and name HG2#
or resid 68 and name HG2#
or resid 202 and name HD2#
or resid 203 and name HG1#
or resid 203 and name HG2#
) 3.5 0.7 0.7 volume=1.770 peak=1832 ppm1=4.087 ppm2=1.037
assign ( resid 237 and name HA
)
( resid 237 and name HG1#
or resid 237 and name HG2#
) 3.4 0.7 0.7 volume=2.152 peak=1833 ppm1=4.216 ppm2=1.070
assign ( resid 67 and name HA
)
( resid 63 and name HG2#
or resid 68 and name HG1#
or resid 68 and name HG2#
) 4.3 0.9 0.9 volume=0.486 peak=1834 ppm1=4.504 ppm2=1.037
assign ( resid 232 and name HA
)
( resid 230 and name HG1#
or resid 230 and name HG2#
) 4.4 0.9 0.9 volume=0.460 peak=1835 ppm1=4.497 ppm2=1.107
assign ( resid 230 and name HA
)
( resid 230 and name HG1#
or resid 230 and name HG2#
) 3.2 0.6 0.6 volume=2.949 peak=1836 ppm1=4.347 ppm2=1.070
assign ( resid 63 and name HA
or resid 199 and name HA
)
( resid 63 and name HG1#
or resid 202 and name HD1#
) 3.7 0.7 0.7 volume=1.265 peak=1837 ppm1=4.078 ppm2=0.850
assign ( resid 70 and name HA
)
( resid 70 and name HG1#
or resid 74 and name HG13
) 3.2 0.6 0.6 volume=1.411 peak=1838 ppm1=3.940 ppm2=1.407
assign ( resid 38 and name HA
)
( resid 41 and name H
) 3.9 0.8 0.8 volume=0.315 peak=1839 ppm1=3.769 ppm2=8.319
assign ( resid 101 and name HB
)
( resid 101 and name HA
) 3.1 0.6 0.6 volume=1.218 peak=1840 ppm1=2.056 ppm2=3.794
assign ( resid 107 and name HA
)
( resid 107 and name H
) 3.8 0.8 0.8 volume=0.363 peak=1841 ppm1=3.529 ppm2=8.338
assign ( resid 107 and name HA
)
( resid 107 and name HG2#
) 3.6 0.7 0.7 volume=1.555 peak=1842 ppm1=3.530 ppm2=1.133
assign ( resid 108 and name HA
)
( resid 108 and name HG2#
) 4.4 0.9 0.9 volume=0.457 peak=1843 ppm1=3.433 ppm2=1.515
assign ( resid 108 and name HA
or resid 168 and name HA
)
( resid 108 and name HG1#
or resid 141 and name HD2#
) 4.5 0.9 0.9 volume=0.375 peak=1844 ppm1=3.427 ppm2=0.704
assign ( resid 118 and name HA
)
( resid 118 and name HG1#
or resid 118 and name HG2#
) 3.8 0.8 0.8 volume=1.107 peak=1845 ppm1=4.557 ppm2=1.117
assign ( resid 132 and name HA
)
( resid 132 and name H
) 3.7 0.7 0.7 volume=0.431 peak=1846 ppm1=3.715 ppm2=8.058
assign ( resid 132 and name HB
)
( resid 132 and name H
) 3.3 0.7 0.7 volume=0.842 peak=1847 ppm1=2.294 ppm2=8.064
assign ( resid 138 and name HB
)
( resid 138 and name HG1#
) 4.2 0.8 0.8 volume=0.615 peak=1848 ppm1=2.082 ppm2=0.474
assign ( resid 168 and name HA
)
( resid 168 and name HB
) 3.6 0.7 0.7 volume=0.463 peak=1849 ppm1=3.428 ppm2=2.106
assign ( resid 169 and name HA
)
( resid 169 and name H
) 3.5 0.7 0.7 volume=0.633 peak=1850 ppm1=3.800 ppm2=7.488
assign ( resid 185 and name HA
)
( resid 185 and name H
) 3.8 0.8 0.8 volume=0.339 peak=1851 ppm1=4.305 ppm2=9.112
assign ( resid 185 and name HB
)
( resid 185 and name HA
) 3.1 0.6 0.6 volume=1.310 peak=1852 ppm1=2.566 ppm2=4.297
assign ( resid 185 and name HA
)
( resid 185 and name HG1#
) 3.4 0.7 0.7 volume=2.058 peak=1853 ppm1=4.304 ppm2=1.242
assign ( resid 194 and name HA
)
( resid 194 and name HG1#
) 4.6 0.9 0.9 volume=0.321 peak=1854 ppm1=3.340 ppm2=0.443
assign ( resid 194 and name HA
)
( resid 194 and name HG2#
) 4.6 0.9 0.9 volume=0.360 peak=1855 ppm1=3.320 ppm2=0.818
assign ( resid 194 and name HB
)
( resid 194 and name HG1#
) 4.7 0.9 0.9 volume=0.292 peak=1856 ppm1=1.875 ppm2=0.427
assign ( resid 161 and name HB
)
( resid 161 and name H
) 3.6 0.7 0.7 volume=0.472 peak=1857 ppm1=2.269 ppm2=8.617
assign ( resid 161 and name HA
)
( resid 161 and name HG1#
) 4.1 0.8 0.8 volume=0.695 peak=1858 ppm1=3.208 ppm2=1.288
assign ( resid 142 and name HB
)
( resid 142 and name HA
) 3.7 0.7 0.7 volume=0.397 peak=1859 ppm1=2.382 ppm2=4.271
assign ( resid 142 and name HA
)
( resid 142 and name HG1#
or resid 142 and name HG2#
or resid 168 and name HG1#
or resid 168 and name HG2#
) 3.9 0.8 0.8 volume=0.904 peak=1860 ppm1=4.265 ppm2=1.036
assign ( resid 137 and name HD1#
)
( resid 141 and name HD2#
) 4.5 0.9 0.9 volume=1.236 peak=1861 ppm1=1.272 ppm2=0.674
assign ( resid 141 and name HD2#
)
( resid 141 and name HA
) 4.6 0.9 0.9 volume=0.330 peak=1862 ppm1=0.670 ppm2=4.539
assign ( resid 141 and name HD2#
)
( resid 137 and name HA
) 4.6 0.9 0.9 volume=0.321 peak=1863 ppm1=0.670 ppm2=4.246
assign ( resid 219 and name HD2#
)
( resid 216 and name H
or resid 217 and name H
) 4.2 0.8 0.8 volume=0.562 peak=1864 ppm1=0.851 ppm2=8.238
assign ( resid 213 and name HD1#
)
( resid 210 and name HB2
) 3.9 0.8 0.8 volume=0.915 peak=1865 ppm1=1.098 ppm2=3.392
assign ( resid 137 and name HD2#
)
( resid 140 and name HB2
) 4.3 0.9 0.9 volume=0.545 peak=1866 ppm1=1.189 ppm2=3.344
assign ( resid 198 and name HA
)
( resid 198 and name H
) 4.1 0.8 0.8 volume=0.217 peak=1867 ppm1=4.174 ppm2=8.737
assign ( resid 230 and name HB
)
( resid 229 and name HA2
or resid 229 and name HA3
) 3.2 0.6 0.6 volume=1.033 peak=1868 ppm1=2.261 ppm2=4.094
assign ( resid 68 and name HB
)
( resid 68 and name HA
) 3.2 0.6 0.6 volume=1.012 peak=1869 ppm1=2.191 ppm2=4.089
assign ( resid 25 and name HB#
)
( resid 22 and name HA
) 4.1 0.8 0.8 volume=0.652 peak=1870 ppm1=1.890 ppm2=4.878
assign ( resid 16 and name HD1#
)
( resid 16 and name H
) 3.6 0.7 0.7 volume=1.383 peak=1871 ppm1=0.992 ppm2=8.993
assign ( resid 16 and name HD1#
or resid 126 and name HD1#
)
( resid 17 and name H
or resid 115 and name H
) 3.5 0.7 0.7 volume=1.627 peak=1872 ppm1=0.986 ppm2=8.669
assign ( resid 74 and name HA
)
( resid 77 and name HG13
or resid 77 and name HB
) 3.9 0.8 0.8 volume=0.293 peak=1873 ppm1=3.511 ppm2=2.038
assign ( resid 174 and name HA
)
( resid 177 and name HD1#
or resid 200 and name HD2#
) 4.7 0.9 0.9 volume=0.301 peak=1874 ppm1=4.000 ppm2=0.771
assign ( resid 141 and name HG
)
( resid 141 and name HA
) 4.1 0.8 0.8 volume=0.224 peak=1875 ppm1=2.054 ppm2=4.551
assign ( resid 141 and name HG
)
( resid 138 and name HA
) 3.5 0.7 0.7 volume=0.564 peak=1876 ppm1=2.059 ppm2=3.378
assign ( resid 100 and name HG12
)
( resid 99 and name HA2
or resid 100 and name HA
) 3.8 0.8 0.8 volume=0.353 peak=1877 ppm1=1.968 ppm2=3.767
assign ( resid 96 and name HB2
)
( resid 96 and name HA
or resid 97 and name HA
) 3.0 0.6 0.6 volume=1.537 peak=1878 ppm1=1.832 ppm2=4.246
assign ( resid 100 and name HG12
)
( resid 96 and name HA
or resid 97 and name HA
) 3.2 0.6 0.6 volume=0.989 peak=1879 ppm1=1.950 ppm2=4.239
assign ( resid 211 and name HG13
)
( resid 166 and name HD1#
or resid 211 and name HG12
) 3.6 0.7 0.7 volume=0.683 peak=1880 ppm1=1.968 ppm2=1.236
assign ( resid 135 and name HG13
)
( resid 135 and name HG12
) 3.0 0.6 0.6 volume=1.363 peak=1881 ppm1=2.080 ppm2=1.475
assign ( resid 135 and name HG2#
)
( resid 135 and name HG12
) 3.1 0.6 0.6 volume=3.563 peak=1882 ppm1=1.030 ppm2=1.437
assign ( resid 83 and name HG2#
)
( resid 171 and name HZ2
) 3.9 0.8 0.8 volume=0.870 peak=1883 ppm1=0.861 ppm2=7.316
assign ( resid 211 and name HG2#
)
( resid 214 and name HB3
or resid 214 and name HB2
) 5.0 1.0 1.0 volume=0.199 peak=1884 ppm1=0.845 ppm2=2.832
assign ( resid 83 and name HG2#
or resid 211 and name HG2#
)
( resid 84 and name HG2#
or resid 87 and name HD1#
or resid 87 and name HD2#
or resid 159 and name HD1#
) 3.6 0.7 0.7 volume=4.519 peak=1885 ppm1=0.861 ppm2=1.033
assign ( resid 43 and name HA
)
( resid 43 and name H
) 4.1 0.8 0.8 volume=0.225 peak=1886 ppm1=3.692 ppm2=8.281
assign ( resid 43 and name HA
)
( resid 46 and name HG12
or resid 79 and name HG2#
) 4.0 0.8 0.8 volume=0.380 peak=1887 ppm1=3.690 ppm2=1.718
assign ( resid 53 and name HA
)
( resid 56 and name HB3
) 4.1 0.8 0.8 volume=0.225 peak=1888 ppm1=3.669 ppm2=1.827
assign ( resid 38 and name HA
)
( resid 41 and name HG2#
) 4.0 0.8 0.8 volume=0.835 peak=1889 ppm1=3.774 ppm2=1.445
assign ( resid 132 and name HA
)
( resid 132 and name HG1#
) 3.3 0.7 0.7 volume=2.460 peak=1890 ppm1=3.714 ppm2=1.157
assign ( resid 53 and name HA
or resid 132 and name HA
)
( resid 53 and name HG1#
or resid 132 and name HG2#
or resid 135 and name HD1#
or resid 135 and name HG2#
) 3.2 0.6 0.6 volume=3.071 peak=1891 ppm1=3.710 ppm2=1.006
assign ( resid 53 and name HA
)
( resid 54 and name HA
) 4.3 0.9 0.9 volume=0.159 peak=1892 ppm1=3.678 ppm2=4.390
assign ( resid 16 and name HA
)
( resid 16 and name H
) 4.4 0.9 0.9 volume=0.146 peak=1893 ppm1=4.095 ppm2=8.983
assign ( resid 16 and name HB3
)
( resid 16 and name H
) 3.6 0.7 0.7 volume=0.466 peak=1894 ppm1=2.119 ppm2=8.990
assign ( resid 16 and name HB2
)
( resid 13 and name HA
) 3.8 0.8 0.8 volume=0.359 peak=1895 ppm1=1.963 ppm2=3.839
assign ( resid 16 and name HB3
or resid 180 and name HB3
or resid 196 and name HB2
)
( resid 13 and name HA
or resid 177 and name HA
or resid 197 and name HA
) 3.6 0.7 0.7 volume=0.464 peak=1896 ppm1=2.114 ppm2=3.836
assign ( resid 16 and name HB2
or resid 219 and name HB2
)
( resid 16 and name HA
or resid 216 and name HA
) 3.3 0.7 0.7 volume=0.773 peak=1897 ppm1=1.958 ppm2=4.082
assign ( resid 110 and name HG
)
( resid 111 and name H
) 3.9 0.8 0.8 volume=0.308 peak=1898 ppm1=2.040 ppm2=8.669
assign ( resid 10 and name HG
)
( resid 10 and name HD1#
) 2.7 0.5 0.5 volume=7.828 peak=1899 ppm1=1.973 ppm2=0.982
assign ( resid 7 and name HB3
)
( resid 7 and name H
) 4.7 0.9 0.9 volume=0.101 peak=1900 ppm1=1.159 ppm2=7.518
assign ( resid 7 and name HB3
)
( resid 7 and name HB2
or resid 10 and name HB2
or resid 194 and name HB
) 4.1 0.8 0.8 volume=0.215 peak=1901 ppm1=1.160 ppm2=1.908
assign ( resid 7 and name HG
)
( resid 7 and name H
) 3.9 0.8 0.8 volume=0.312 peak=1902 ppm1=1.840 ppm2=7.498
assign ( resid 4 and name HA
)
( resid 4 and name H
or resid 8 and name H
) 4.5 0.9 0.9 volume=0.125 peak=1903 ppm1=3.812 ppm2=8.163
assign ( resid 222 and name HB3
or resid 222 and name HB2
)
( resid 222 and name H
) 2.7 0.5 0.5 volume=2.792 peak=1904 ppm1=2.152 ppm2=8.110
assign ( resid 194 and name HB
)
( resid 194 and name H
) 4.3 0.9 0.9 volume=0.170 peak=1905 ppm1=1.896 ppm2=8.150
assign ( resid 101 and name HB
or resid 138 and name HB
)
( resid 137 and name HD1#
or resid 137 and name HD2#
or resid 141 and name HB3
) 3.6 0.7 0.7 volume=0.930 peak=1906 ppm1=2.058 ppm2=1.223
assign ( resid 38 and name HB
or resid 132 and name HB
)
( resid 38 and name HG1#
or resid 132 and name HG1#
) 2.9 0.6 0.6 volume=5.381 peak=1907 ppm1=2.296 ppm2=1.146
assign ( resid 169 and name HB
)
( resid 166 and name HD2#
or resid 169 and name HG1#
or resid 170 and name HD1#
) 3.0 0.6 0.6 volume=4.465 peak=1908 ppm1=2.247 ppm2=1.083
assign ( resid 77 and name HG13
or resid 101 and name HB
or resid 138 and name HB
)
( resid 77 and name HG12
or resid 84 and name HG2#
or resid 101 and name HG1#
or resid 101 and name HG2#
or resid 102 and name HD1#
or resid 141 and name HD1#
or resid 168 and name HG1#
) 2.7 0.5 0.5 volume=5.940 peak=1909 ppm1=2.058 ppm2=1.064
assign ( resid 53 and name HB
or resid 132 and name HB
or resid 203 and name HB
)
( resid 53 and name HG1#
or resid 132 and name HG2#
or resid 166 and name HD2#
or resid 203 and name HG1#
or resid 203 and name HG2#
) 2.9 0.6 0.6 volume=5.408 peak=1910 ppm1=2.290 ppm2=1.011
assign ( resid 17 and name HB
)
( resid 17 and name HG1#
) 3.2 0.6 0.6 volume=3.038 peak=1911 ppm1=2.391 ppm2=1.152
assign ( resid 17 and name HB
)
( resid 16 and name HD1#
or resid 16 and name HD2#
or resid 17 and name HG2#
) 3.1 0.6 0.6 volume=3.397 peak=1912 ppm1=2.393 ppm2=0.977
assign ( resid 194 and name HB
)
( resid 4 and name HD2#
or resid 7 and name HD1#
) 4.4 0.9 0.9 volume=0.439 peak=1913 ppm1=1.880 ppm2=0.865
assign ( resid 74 and name HG12
)
( resid 75 and name H
) 4.7 0.9 0.9 volume=0.094 peak=1914 ppm1=1.211 ppm2=7.744
assign ( resid 74 and name HG12
)
( resid 73 and name HB2
or resid 74 and name HA
) 4.0 0.8 0.8 volume=0.263 peak=1915 ppm1=1.217 ppm2=3.515
assign ( resid 173 and name HG12
or resid 177 and name HG13
)
( resid 169 and name HG2#
or resid 170 and name HD2#
or resid 177 and name HG2#
) 4.5 0.9 0.9 volume=0.395 peak=1916 ppm1=1.362 ppm2=1.193
assign ( resid 74 and name HG13
)
( resid 73 and name HB3
) 4.0 0.8 0.8 volume=0.264 peak=1917 ppm1=1.444 ppm2=2.525
assign ( resid 74 and name HB
)
( resid 75 and name H
) 4.6 0.9 0.9 volume=0.120 peak=1918 ppm1=1.814 ppm2=7.738
assign ( resid 74 and name HB
)
( resid 74 and name HA
) 4.4 0.9 0.9 volume=0.155 peak=1919 ppm1=1.820 ppm2=3.515
assign ( resid 74 and name HA
)
( resid 77 and name H
) 4.8 1.0 1.0 volume=0.089 peak=1920 ppm1=3.516 ppm2=8.491
assign ( resid 74 and name HA
)
( resid 75 and name H
or resid 78 and name H
) 4.7 0.9 0.9 volume=0.101 peak=1921 ppm1=3.515 ppm2=7.722
assign ( resid 140 and name HA
)
( resid 140 and name HD#
) 4.7 0.9 0.9 volume=0.201 peak=1922 ppm1=3.667 ppm2=7.170
assign ( resid 140 and name HA
)
( resid 139 and name HD#
) 5.2 1.0 1.0 volume=0.114 peak=1923 ppm1=3.662 ppm2=6.967
assign ( resid 74 and name HA
)
( resid 74 and name HB
) 4.3 0.9 0.9 volume=0.162 peak=1924 ppm1=3.514 ppm2=1.816
assign ( resid 211 and name HD1#
)
( resid 210 and name HB2
) 5.0 1.0 1.0 volume=0.203 peak=1925 ppm1=0.911 ppm2=3.440
assign ( resid 77 and name HB
)
( resid 78 and name HB3
) 4.5 0.9 0.9 volume=0.122 peak=1926 ppm1=2.027 ppm2=2.316
assign ( resid 77 and name HG13
)
( resid 109 and name HA
) 3.3 0.7 0.7 volume=0.781 peak=1927 ppm1=2.049 ppm2=4.552
assign ( resid 58 and name HB
)
( resid 59 and name H
) 4.6 0.9 0.9 volume=0.116 peak=1928 ppm1=2.065 ppm2=8.905
assign ( resid 77 and name HG13
)
( resid 73 and name HB3
) 2.1 0.4 0.4 volume=13.424 peak=1929 ppm1=2.049 ppm2=2.439
assign ( resid 141 and name HB2
)
( resid 137 and name HD2#
or resid 141 and name HB3
) 4.0 0.8 0.8 volume=0.390 peak=1930 ppm1=2.068 ppm2=1.191
assign ( resid 20 and name HB3
)
( resid 20 and name HB2
or resid 21 and name HB#
) 3.5 0.7 0.7 volume=0.842 peak=1931 ppm1=2.042 ppm2=1.544
assign ( resid 4 and name HB2
)
( resid 4 and name HB3
) 3.3 0.7 0.7 volume=0.871 peak=1932 ppm1=2.043 ppm2=1.386
assign ( resid 185 and name HB
)
( resid 187 and name HG
or resid 187 and name HB3
) 3.8 0.8 0.8 volume=0.367 peak=1933 ppm1=2.568 ppm2=1.772
assign ( resid 185 and name HB
)
( resid 185 and name HG1#
) 3.1 0.6 0.6 volume=3.852 peak=1934 ppm1=2.566 ppm2=1.239
assign ( resid 185 and name HB
)
( resid 180 and name HD2#
or resid 180 and name HD1#
or resid 187 and name HD1#
) 4.0 0.8 0.8 volume=0.814 peak=1935 ppm1=2.565 ppm2=1.045
assign ( resid 41 and name HB
)
( resid 41 and name HG2#
) 3.6 0.7 0.7 volume=1.397 peak=1936 ppm1=2.589 ppm2=1.436
assign ( resid 77 and name HG12
)
( resid 77 and name HA
) 4.0 0.8 0.8 volume=0.250 peak=1937 ppm1=1.090 ppm2=3.665
assign ( resid 77 and name HG12
)
( resid 74 and name HA
) 4.5 0.9 0.9 volume=0.130 peak=1938 ppm1=1.092 ppm2=3.478
assign ( resid 12 and name HA
)
( resid 13 and name H
or resid 16 and name H
or resid 51 and name H
) 3.9 0.8 0.8 volume=0.289 peak=1939 ppm1=4.232 ppm2=8.979
assign ( resid 12 and name HA
)
( resid 12 and name H
or resid 15 and name H
) 3.7 0.7 0.7 volume=0.396 peak=1940 ppm1=4.234 ppm2=8.540
assign ( resid 36 and name HB3
)
( resid 37 and name HD#
or resid 37 and name H
or resid 86 and name HD#
) 4.8 1.0 1.0 volume=0.134 peak=1941 ppm1=2.983 ppm2=7.366
assign ( resid 36 and name HB2
)
( resid 37 and name HD#
or resid 37 and name H
or resid 86 and name HD#
) 4.6 0.9 0.9 volume=0.162 peak=1942 ppm1=2.906 ppm2=7.370
assign ( resid 36 and name HA
)
( resid 36 and name HD#
) 4.3 0.9 0.9 volume=0.346 peak=1943 ppm1=4.091 ppm2=6.686
assign ( resid 36 and name HB3
)
( resid 36 and name HD#
) 5.3 1.1 1.1 volume=0.095 peak=1944 ppm1=2.951 ppm2=6.695
assign ( resid 36 and name HB2
)
( resid 36 and name HD#
or resid 86 and name HZ
) 4.9 1.0 1.0 volume=0.106 peak=1945 ppm1=2.887 ppm2=6.692
assign ( resid 36 and name HD#
)
( resid 36 and name HA
) 4.0 0.8 0.8 volume=0.501 peak=1946 ppm1=6.699 ppm2=4.095
assign ( resid 36 and name HE#
)
( resid 36 and name HA
or resid 90 and name HA
) 4.2 0.8 0.8 volume=0.413 peak=1947 ppm1=6.616 ppm2=4.134
assign ( resid 36 and name HB2
)
( resid 36 and name H
) 4.7 0.9 0.9 volume=0.103 peak=1948 ppm1=2.886 ppm2=7.714
assign ( resid 36 and name HB3
)
( resid 36 and name H
) 4.7 0.9 0.9 volume=0.105 peak=1949 ppm1=2.999 ppm2=7.719
assign ( resid 36 and name HD#
)
( resid 36 and name H
) 3.8 0.8 0.8 volume=0.676 peak=1950 ppm1=6.701 ppm2=7.716
assign ( resid 36 and name HE#
)
( resid 86 and name HD#
) 4.8 1.0 1.0 volume=0.335 peak=1951 ppm1=6.618 ppm2=7.358
assign ( resid 36 and name HE#
)
( resid 36 and name H
) 4.5 0.9 0.9 volume=0.261 peak=1952 ppm1=6.618 ppm2=7.727
assign ( resid 36 and name HE#
)
( resid 36 and name HB2
) 5.1 1.0 1.0 volume=0.127 peak=1953 ppm1=6.616 ppm2=2.919
assign ( resid 36 and name HD#
)
( resid 89 and name HD1#
) 5.4 1.1 1.1 volume=0.248 peak=1954 ppm1=6.701 ppm2=0.209
assign ( resid 36 and name HE#
)
( resid 89 and name HD1#
) 4.9 1.0 1.0 volume=0.449 peak=1955 ppm1=6.616 ppm2=0.202
assign ( resid 36 and name HB2
)
( resid 89 and name HD1#
) 5.7 1.1 1.1 volume=0.089 peak=1956 ppm1=2.918 ppm2=0.200
assign ( resid 36 and name HB2
)
( resid 40 and name HB2
) 4.6 0.9 0.9 volume=0.114 peak=1957 ppm1=2.873 ppm2=1.003
assign ( resid 36 and name HB2
)
( resid 90 and name HD2#
) 5.6 1.1 1.1 volume=0.107 peak=1958 ppm1=2.907 ppm2=0.981
assign ( resid 36 and name HB2
)
( resid 212 and name HB#
) 5.2 1.0 1.0 volume=0.169 peak=1959 ppm1=2.890 ppm2=1.413
assign ( resid 36 and name HB3
)
( resid 212 and name HB#
) 5.3 1.1 1.1 volume=0.146 peak=1960 ppm1=2.969 ppm2=1.408
assign ( resid 21 and name HA
)
( resid 22 and name H
or resid 24 and name H
or resid 25 and name H
) 3.6 0.7 0.7 volume=0.501 peak=1961 ppm1=4.246 ppm2=8.758
assign ( resid 21 and name HA
)
( resid 21 and name H
) 3.5 0.7 0.7 volume=0.630 peak=1962 ppm1=4.249 ppm2=8.184
assign ( resid 21 and name HA
)
( resid 20 and name HB2
or resid 21 and name HB#
) 3.0 0.6 0.6 volume=2.058 peak=1963 ppm1=4.247 ppm2=1.514
assign ( resid 23 and name HA
)
( resid 23 and name H
) 3.7 0.7 0.7 volume=0.438 peak=1964 ppm1=4.211 ppm2=8.587
assign ( resid 23 and name HA
)
( resid 24 and name H
or resid 25 and name H
) 3.7 0.7 0.7 volume=0.415 peak=1965 ppm1=4.215 ppm2=8.769
assign ( resid 23 and name HA
)
( resid 23 and name HB#
) 3.3 0.7 0.7 volume=2.347 peak=1966 ppm1=4.212 ppm2=1.697
assign ( resid 25 and name HA
)
( resid 25 and name H
) 3.4 0.7 0.7 volume=0.676 peak=1967 ppm1=4.073 ppm2=8.755
assign ( resid 25 and name HB#
)
( resid 25 and name H
) 3.2 0.6 0.6 volume=3.192 peak=1968 ppm1=1.889 ppm2=8.754
assign ( resid 25 and name HA
)
( resid 26 and name H
) 4.1 0.8 0.8 volume=0.219 peak=1969 ppm1=4.077 ppm2=7.812
assign ( resid 25 and name HA
)
( resid 25 and name HB#
) 3.4 0.7 0.7 volume=2.167 peak=1970 ppm1=4.070 ppm2=1.887
assign ( resid 29 and name HA
)
( resid 29 and name H
) 3.3 0.7 0.7 volume=0.885 peak=1971 ppm1=4.334 ppm2=7.316
assign ( resid 29 and name HA
)
( resid 30 and name H
) 3.1 0.6 0.6 volume=1.262 peak=1972 ppm1=4.333 ppm2=8.873
assign ( resid 29 and name HB#
)
( resid 29 and name HA
) 3.3 0.7 0.7 volume=2.495 peak=1973 ppm1=1.476 ppm2=4.328
assign ( resid 29 and name HA
)
( resid 29 and name HB#
) 3.4 0.7 0.7 volume=2.230 peak=1974 ppm1=4.334 ppm2=1.473
assign ( resid 48 and name HB#
)
( resid 49 and name H
) 3.7 0.7 0.7 volume=1.230 peak=1975 ppm1=1.686 ppm2=7.678
assign ( resid 48 and name HA
)
( resid 49 and name H
) 4.4 0.9 0.9 volume=0.148 peak=1976 ppm1=4.263 ppm2=7.657
assign ( resid 50 and name HA
)
( resid 50 and name H
) 3.9 0.8 0.8 volume=0.322 peak=1977 ppm1=3.796 ppm2=8.545
assign ( resid 50 and name HA
)
( resid 54 and name H
) 4.2 0.8 0.8 volume=0.197 peak=1978 ppm1=3.802 ppm2=7.677
assign ( resid 50 and name HA
)
( resid 51 and name H
) 4.6 0.9 0.9 volume=0.115 peak=1979 ppm1=3.811 ppm2=8.971
assign ( resid 50 and name HB#
)
( resid 50 and name H
) 3.6 0.7 0.7 volume=1.549 peak=1980 ppm1=1.445 ppm2=8.539
assign ( resid 50 and name HA
)
( resid 50 and name HB#
) 3.9 0.8 0.8 volume=0.891 peak=1981 ppm1=3.795 ppm2=1.436
assign ( resid 52 and name HA
)
( resid 52 and name H
) 3.9 0.8 0.8 volume=0.308 peak=1982 ppm1=3.598 ppm2=8.321
assign ( resid 52 and name HB#
)
( resid 52 and name H
) 3.4 0.7 0.7 volume=2.122 peak=1983 ppm1=1.597 ppm2=8.322
assign ( resid 52 and name HA
)
( resid 52 and name HB#
) 3.6 0.7 0.7 volume=1.423 peak=1984 ppm1=3.599 ppm2=1.595
assign ( resid 55 and name HA
)
( resid 55 and name H
) 4.0 0.8 0.8 volume=0.280 peak=1985 ppm1=4.075 ppm2=8.439
assign ( resid 55 and name HA
)
( resid 55 and name HB#
) 4.5 0.9 0.9 volume=0.395 peak=1986 ppm1=4.074 ppm2=0.188
assign ( resid 64 and name HA
)
( resid 64 and name H
) 3.0 0.6 0.6 volume=1.421 peak=1987 ppm1=4.003 ppm2=8.919
assign ( resid 64 and name HA
)
( resid 65 and name H
) 3.7 0.7 0.7 volume=0.446 peak=1988 ppm1=4.004 ppm2=8.591
assign ( resid 64 and name HB#
)
( resid 64 and name H
) 3.4 0.7 0.7 volume=2.001 peak=1989 ppm1=1.646 ppm2=8.920
assign ( resid 64 and name HA
)
( resid 64 and name HB#
) 3.4 0.7 0.7 volume=2.208 peak=1990 ppm1=4.002 ppm2=1.644
assign ( resid 91 and name HA
)
( resid 91 and name H
) 4.1 0.8 0.8 volume=0.232 peak=1991 ppm1=3.640 ppm2=8.238
assign ( resid 91 and name HA
)
( resid 92 and name H
) 4.7 0.9 0.9 volume=0.095 peak=1992 ppm1=3.630 ppm2=7.754
assign ( resid 91 and name HA
)
( resid 91 and name HB#
) 4.0 0.8 0.8 volume=0.748 peak=1993 ppm1=3.639 ppm2=1.190
assign ( resid 91 and name HA
)
( resid 149 and name HB#
or resid 156 and name HG2#
) 4.0 0.8 0.8 volume=0.774 peak=1994 ppm1=3.638 ppm2=1.101
assign ( resid 91 and name HB#
)
( resid 91 and name H
) 3.6 0.7 0.7 volume=1.504 peak=1995 ppm1=1.211 ppm2=8.237
assign ( resid 91 and name HB#
)
( resid 91 and name HA
) 3.6 0.7 0.7 volume=1.530 peak=1996 ppm1=1.212 ppm2=3.646
assign ( resid 111 and name HA
)
( resid 111 and name H
or resid 115 and name H
) 3.5 0.7 0.7 volume=0.589 peak=1997 ppm1=3.988 ppm2=8.696
assign ( resid 111 and name HA
or resid 195 and name HA
)
( resid 110 and name HB3
or resid 111 and name HB#
or resid 195 and name HB#
) 3.1 0.6 0.6 volume=2.070 peak=1998 ppm1=3.978 ppm2=1.554
assign ( resid 114 and name HA
)
( resid 114 and name H
) 3.7 0.7 0.7 volume=0.403 peak=1999 ppm1=3.611 ppm2=8.884
assign ( resid 114 and name HA
)
( resid 115 and name H
) 4.7 0.9 0.9 volume=0.106 peak=2000 ppm1=3.605 ppm2=8.677
assign ( resid 114 and name HA
)
( resid 114 and name HB#
) 3.4 0.7 0.7 volume=1.930 peak=2001 ppm1=3.612 ppm2=1.412
assign ( resid 116 and name HB#
)
( resid 117 and name H
or resid 178 and name HZ2
) 3.8 0.8 0.8 volume=1.011 peak=2002 ppm1=1.602 ppm2=7.275
assign ( resid 116 and name HA
)
( resid 117 and name H
or resid 178 and name HZ2
) 4.0 0.8 0.8 volume=0.276 peak=2003 ppm1=4.118 ppm2=7.278
assign ( resid 125 and name HA
)
( resid 125 and name H
) 3.3 0.7 0.7 volume=0.769 peak=2004 ppm1=4.330 ppm2=7.988
assign ( resid 125 and name HB#
)
( resid 126 and name H
) 3.5 0.7 0.7 volume=1.645 peak=2005 ppm1=1.699 ppm2=7.210
assign ( resid 125 and name HB#
or resid 217 and name HB#
)
( resid 125 and name H
or resid 218 and name H
) 3.0 0.6 0.6 volume=4.110 peak=2006 ppm1=1.718 ppm2=7.964
assign ( resid 125 and name HA
)
( resid 126 and name H
) 4.1 0.8 0.8 volume=0.239 peak=2007 ppm1=4.334 ppm2=7.216
assign ( resid 125 and name HB#
or resid 217 and name HB#
)
( resid 125 and name HA
or resid 217 and name HA
or resid 218 and name HA
) 2.6 0.5 0.5 volume=9.941 peak=2008 ppm1=1.722 ppm2=4.287
assign ( resid 131 and name HB#
)
( resid 131 and name HA
) 3.4 0.7 0.7 volume=1.959 peak=2009 ppm1=1.209 ppm2=4.011
assign ( resid 133 and name HA
or resid 216 and name HA
)
( resid 133 and name HB#
or resid 215 and name HB#
or resid 216 and name HB#
or resid 219 and name HB3
) 2.8 0.6 0.6 volume=4.378 peak=2010 ppm1=4.064 ppm2=1.670
assign ( resid 133 and name HB#
)
( resid 133 and name H
or resid 136 and name H
) 3.3 0.7 0.7 volume=2.622 peak=2011 ppm1=1.655 ppm2=7.964
assign ( resid 172 and name HA
)
( resid 172 and name H
) 3.7 0.7 0.7 volume=0.403 peak=2012 ppm1=4.207 ppm2=7.760
assign ( resid 172 and name HB#
)
( resid 172 and name HA
or resid 173 and name HA
) 3.3 0.7 0.7 volume=2.453 peak=2013 ppm1=1.950 ppm2=4.201
assign ( resid 172 and name HA
)
( resid 172 and name HB#
) 3.7 0.7 0.7 volume=1.323 peak=2014 ppm1=4.205 ppm2=1.944
assign ( resid 186 and name HA
)
( resid 186 and name H
or resid 187 and name H
or resid 188 and name H
) 3.4 0.7 0.7 volume=0.674 peak=2015 ppm1=3.454 ppm2=8.022
assign ( resid 186 and name HA
)
( resid 186 and name HB#
) 4.0 0.8 0.8 volume=0.797 peak=2016 ppm1=3.450 ppm2=1.496
assign ( resid 195 and name HA
)
( resid 195 and name H
) 3.9 0.8 0.8 volume=0.293 peak=2017 ppm1=3.970 ppm2=8.334
assign ( resid 195 and name HB#
)
( resid 196 and name H
) 3.7 0.7 0.7 volume=1.348 peak=2018 ppm1=1.540 ppm2=8.503
assign ( resid 195 and name HB#
)
( resid 195 and name HA
) 3.2 0.6 0.6 volume=2.830 peak=2019 ppm1=1.539 ppm2=3.977
assign ( resid 212 and name HA
)
( resid 212 and name H
) 4.0 0.8 0.8 volume=0.257 peak=2020 ppm1=4.155 ppm2=7.814
assign ( resid 212 and name HA
)
( resid 212 and name HB#
) 3.7 0.7 0.7 volume=1.265 peak=2021 ppm1=4.159 ppm2=1.443
assign ( resid 221 and name HA
)
( resid 221 and name HB#
) 2.7 0.5 0.5 volume=9.019 peak=2022 ppm1=4.442 ppm2=1.636
assign ( resid 215 and name HA
)
( resid 216 and name H
or resid 217 and name H
) 3.7 0.7 0.7 volume=0.388 peak=2023 ppm1=4.411 ppm2=8.246
assign ( resid 23 and name HB#
or resid 216 and name HB#
)
( resid 20 and name HA
or resid 213 and name HA
or resid 216 and name HA
) 2.8 0.6 0.6 volume=7.224 peak=2024 ppm1=1.685 ppm2=4.094
assign ( resid 217 and name HA
)
( resid 217 and name H
) 3.1 0.6 0.6 volume=1.149 peak=2025 ppm1=4.294 ppm2=8.239
assign ( resid 125 and name HA
or resid 217 and name HA
)
( resid 125 and name HB#
or resid 216 and name HB#
or resid 217 and name HB#
) 2.9 0.6 0.6 volume=5.076 peak=2026 ppm1=4.297 ppm2=1.714
assign ( resid 221 and name HA
)
( resid 221 and name H
) 2.9 0.6 0.6 volume=1.930 peak=2027 ppm1=4.442 ppm2=7.856
assign ( resid 221 and name HA
)
( resid 222 and name H
) 3.3 0.7 0.7 volume=0.878 peak=2028 ppm1=4.442 ppm2=8.115
assign ( resid 228 and name HA
or resid 236 and name HA
or resid 238 and name HA
)
( resid 229 and name H
or resid 236 and name H
or resid 238 and name H
) 3.4 0.7 0.7 volume=0.739 peak=2029 ppm1=4.482 ppm2=8.335
assign ( resid 228 and name HA
or resid 238 and name HA
)
( resid 228 and name H
or resid 239 and name H
) 3.3 0.7 0.7 volume=0.797 peak=2030 ppm1=4.491 ppm2=8.201
assign ( resid 228 and name HB#
or resid 236 and name HB#
or resid 238 and name HB#
)
( resid 227 and name HA
or resid 228 and name HA
or resid 236 and name HA
or resid 238 and name HA
) 2.9 0.6 0.6 volume=5.920 peak=2031 ppm1=1.547 ppm2=4.484
assign ( resid 228 and name HA
or resid 236 and name HA
or resid 238 and name HA
)
( resid 228 and name HB#
or resid 236 and name HB#
or resid 238 and name HB#
) 2.8 0.6 0.6 volume=6.625 peak=2032 ppm1=4.485 ppm2=1.542
assign ( resid 236 and name HA
)
( resid 237 and name H
) 2.8 0.6 0.6 volume=2.006 peak=2033 ppm1=4.468 ppm2=7.981
assign ( resid 5 and name HB
)
( resid 5 and name H
) 3.7 0.7 0.7 volume=0.393 peak=2034 ppm1=4.836 ppm2=8.437
assign ( resid 5 and name HA
)
( resid 5 and name H
) 4.1 0.8 0.8 volume=0.214 peak=2035 ppm1=4.335 ppm2=8.436
assign ( resid 5 and name HB
)
( resid 2 and name HA
or resid 5 and name HA
) 3.6 0.7 0.7 volume=0.522 peak=2036 ppm1=4.836 ppm2=4.336
assign ( resid 5 and name HA
)
( resid 5 and name HG2#
) 4.3 0.9 0.9 volume=0.543 peak=2037 ppm1=4.333 ppm2=1.911
assign ( resid 5 and name HB
)
( resid 5 and name HG2#
) 3.5 0.7 0.7 volume=1.845 peak=2038 ppm1=4.838 ppm2=1.905
assign ( resid 6 and name HG2#
)
( resid 6 and name H
) 4.9 1.0 1.0 volume=0.227 peak=2039 ppm1=1.428 ppm2=7.681
assign ( resid 6 and name HG2#
)
( resid 6 and name HB
) 3.6 0.7 0.7 volume=1.434 peak=2040 ppm1=1.423 ppm2=4.456
assign ( resid 6 and name HG2#
)
( resid 3 and name HA3
or resid 6 and name HA
) 3.6 0.7 0.7 volume=1.556 peak=2041 ppm1=1.422 ppm2=4.269
assign ( resid 6 and name HB
)
( resid 7 and name H
) 4.0 0.8 0.8 volume=0.277 peak=2042 ppm1=4.471 ppm2=7.523
assign ( resid 6 and name HB
)
( resid 6 and name H
) 4.3 0.9 0.9 volume=0.173 peak=2043 ppm1=4.456 ppm2=7.659
assign ( resid 6 and name HA
)
( resid 7 and name H
) 4.0 0.8 0.8 volume=0.267 peak=2044 ppm1=4.281 ppm2=7.519
assign ( resid 39 and name HA
)
( resid 39 and name H
) 4.2 0.8 0.8 volume=0.206 peak=2045 ppm1=4.033 ppm2=7.731
assign ( resid 39 and name HA
)
( resid 39 and name HG2#
) 4.3 0.9 0.9 volume=0.535 peak=2046 ppm1=4.031 ppm2=1.750
assign ( resid 39 and name HG2#
)
( resid 39 and name HA
) 3.6 0.7 0.7 volume=1.365 peak=2047 ppm1=1.756 ppm2=4.035
assign ( resid 39 and name HG2#
)
( resid 39 and name HB
) 4.5 0.9 0.9 volume=0.397 peak=2048 ppm1=1.756 ppm2=4.720
assign ( resid 39 and name HB
)
( resid 39 and name H
) 3.7 0.7 0.7 volume=0.410 peak=2049 ppm1=4.770 ppm2=7.723
assign ( resid 67 and name HB
)
( resid 67 and name HG2#
) 3.9 0.8 0.8 volume=0.979 peak=2050 ppm1=3.554 ppm2=0.603
assign ( resid 67 and name HA
)
( resid 67 and name HG2#
) 4.3 0.9 0.9 volume=0.546 peak=2051 ppm1=4.541 ppm2=0.590
assign ( resid 67 and name HB
)
( resid 67 and name HA
) 4.5 0.9 0.9 volume=0.124 peak=2052 ppm1=3.548 ppm2=4.515
assign ( resid 79 and name HB
)
( resid 46 and name HG12
or resid 79 and name HG2#
) 4.4 0.9 0.9 volume=0.213 peak=2053 ppm1=4.206 ppm2=1.697
assign ( resid 79 and name HG2#
)
( resid 76 and name HA
or resid 79 and name HA
) 4.2 0.8 0.8 volume=0.613 peak=2054 ppm1=1.713 ppm2=4.364
assign ( resid 79 and name HA
)
( resid 46 and name HG12
or resid 79 and name HG2#
) 3.8 0.8 0.8 volume=0.537 peak=2055 ppm1=4.354 ppm2=1.692
assign ( resid 79 and name HA
)
( resid 79 and name H
) 4.6 0.9 0.9 volume=0.118 peak=2056 ppm1=4.364 ppm2=9.907
assign ( resid 80 and name HA
)
( resid 80 and name HG2#
) 5.1 1.0 1.0 volume=0.173 peak=2057 ppm1=4.359 ppm2=0.435
assign ( resid 103 and name HG2#
)
( resid 103 and name HA
) 3.4 0.7 0.7 volume=2.086 peak=2058 ppm1=1.224 ppm2=3.904
assign ( resid 169 and name HA
or resid 191 and name HA
)
( resid 172 and name H
or resid 191 and name H
) 3.7 0.7 0.7 volume=0.402 peak=2059 ppm1=3.790 ppm2=7.767
assign ( resid 17 and name HA
or resid 49 and name HA
or resid 192 and name HA
)
( resid 20 and name HB2
or resid 52 and name HB#
or resid 195 and name HB#
) 3.4 0.7 0.7 volume=1.192 peak=2060 ppm1=3.601 ppm2=1.570
assign ( resid 38 and name HA
or resid 191 and name HA
)
( resid 39 and name HA
or resid 191 and name HB
) 3.7 0.7 0.7 volume=0.434 peak=2061 ppm1=3.770 ppm2=4.053
assign ( resid 84 and name HA
)
( resid 86 and name HB3
) 3.9 0.8 0.8 volume=0.308 peak=2062 ppm1=3.776 ppm2=2.475
assign ( resid 38 and name HA
)
( resid 41 and name HB
) 3.8 0.8 0.8 volume=0.354 peak=2063 ppm1=3.774 ppm2=2.568
assign ( resid 135 and name HD1#
)
( resid 135 and name HG12
) 2.9 0.6 0.6 volume=5.264 peak=2064 ppm1=1.004 ppm2=1.443
assign ( resid 102 and name HD1#
or resid 135 and name HD1#
)
( resid 101 and name HB
or resid 135 and name HG13
) 3.0 0.6 0.6 volume=4.623 peak=2065 ppm1=1.006 ppm2=2.081
assign ( resid 156 and name HD1#
)
( resid 90 and name HB3
) 3.7 0.7 0.7 volume=1.360 peak=2066 ppm1=0.962 ppm2=2.447
assign ( resid 102 and name HD1#
)
( resid 105 and name HB3
) 4.9 1.0 1.0 volume=0.233 peak=2067 ppm1=1.028 ppm2=2.953
assign ( resid 102 and name HD1#
)
( resid 85 and name H
) 4.4 0.9 0.9 volume=0.442 peak=2068 ppm1=1.028 ppm2=9.141
assign ( resid 55 and name HB#
)
( resid 9 and name H
) 4.7 0.9 0.9 volume=0.287 peak=2069 ppm1=0.188 ppm2=8.780
assign ( resid 135 and name HG2#
)
( resid 138 and name HG1#
) 4.9 1.0 1.0 volume=0.726 peak=2070 ppm1=1.035 ppm2=0.461
assign ( resid 27 and name HB2
or resid 102 and name HG12
)
( resid 27 and name H
or resid 98 and name HD#
) 3.6 0.7 0.7 volume=0.638 peak=2071 ppm1=1.771 ppm2=7.348
assign ( resid 27 and name HB2
)
( resid 24 and name HA
) 4.2 0.8 0.8 volume=0.192 peak=2072 ppm1=1.766 ppm2=4.355
assign ( resid 96 and name HB3
)
( resid 96 and name HA
or resid 97 and name HA
) 4.3 0.9 0.9 volume=0.171 peak=2073 ppm1=1.727 ppm2=4.242
assign ( resid 27 and name HB2
or resid 96 and name HB3
)
( resid 28 and name HB2
or resid 97 and name HG3
) 3.8 0.8 0.8 volume=0.346 peak=2074 ppm1=1.768 ppm2=2.511
assign ( resid 102 and name HG12
)
( resid 98 and name HB3
) 3.9 0.8 0.8 volume=0.308 peak=2075 ppm1=1.817 ppm2=3.360
assign ( resid 27 and name HB2
)
( resid 28 and name HB3
) 3.9 0.8 0.8 volume=0.314 peak=2076 ppm1=1.764 ppm2=2.808
assign ( resid 102 and name HG12
)
( resid 102 and name HB
) 3.4 0.7 0.7 volume=0.729 peak=2077 ppm1=1.783 ppm2=2.146
assign ( resid 102 and name HG12
)
( resid 102 and name HG13
) 2.8 0.6 0.6 volume=2.397 peak=2078 ppm1=1.778 ppm2=1.617
assign ( resid 197 and name HG13
)
( resid 177 and name HD1#
or resid 194 and name HG2#
or resid 200 and name HD2#
) 5.0 1.0 1.0 volume=0.200 peak=2079 ppm1=1.775 ppm2=0.778
assign ( resid 197 and name HG12
)
( resid 196 and name HB3
) 3.8 0.8 0.8 volume=0.358 peak=2080 ppm1=1.627 ppm2=1.425
assign ( resid 102 and name HG13
)
( resid 98 and name HA
) 4.6 0.9 0.9 volume=0.112 peak=2081 ppm1=1.614 ppm2=4.433
assign ( resid 102 and name HG13
)
( resid 98 and name HD#
) 4.9 1.0 1.0 volume=0.163 peak=2082 ppm1=1.620 ppm2=7.321
assign ( resid 102 and name HB
)
( resid 102 and name HG13
) 3.5 0.7 0.7 volume=0.597 peak=2083 ppm1=2.163 ppm2=1.618
assign ( resid 102 and name HB
)
( resid 103 and name H
) 4.0 0.8 0.8 volume=0.252 peak=2084 ppm1=2.157 ppm2=8.110
assign ( resid 174 and name HA
)
( resid 174 and name H
or resid 176 and name H
) 4.2 0.8 0.8 volume=0.190 peak=2085 ppm1=3.997 ppm2=7.541
assign ( resid 174 and name HA
)
( resid 177 and name H
) 4.4 0.9 0.9 volume=0.149 peak=2086 ppm1=4.002 ppm2=7.862
assign ( resid 156 and name HA
)
( resid 159 and name H
) 4.2 0.8 0.8 volume=0.193 peak=2087 ppm1=3.857 ppm2=7.710
assign ( resid 102 and name HA
)
( resid 105 and name HB3
) 4.7 0.9 0.9 volume=0.098 peak=2088 ppm1=3.995 ppm2=2.951
assign ( resid 174 and name HA
)
( resid 177 and name HG12
) 3.9 0.8 0.8 volume=0.324 peak=2089 ppm1=3.998 ppm2=1.621
assign ( resid 174 and name HA
)
( resid 177 and name HB
) 3.9 0.8 0.8 volume=0.293 peak=2090 ppm1=3.997 ppm2=2.225
assign ( resid 174 and name HA
)
( resid 177 and name HG13
) 4.2 0.8 0.8 volume=0.205 peak=2091 ppm1=3.984 ppm2=1.392
assign ( resid 121 and name HD1#
)
( resid 124 and name HB3
) 5.6 1.1 1.1 volume=0.103 peak=2092 ppm1=1.207 ppm2=3.268
assign ( resid 121 and name HD1#
)
( resid 124 and name HB2
) 5.6 1.1 1.1 volume=0.101 peak=2093 ppm1=1.205 ppm2=3.152
assign ( resid 131 and name HB#
)
( resid 127 and name HD#
) 5.6 1.1 1.1 volume=0.216 peak=2094 ppm1=1.208 ppm2=6.463
assign ( resid 83 and name HD1#
)
( resid 86 and name HB2
) 5.3 1.1 1.1 volume=0.143 peak=2095 ppm1=1.126 ppm2=3.478
assign ( resid 121 and name HG2#
)
( resid 120 and name HA3
) 4.3 0.9 0.9 volume=0.486 peak=2096 ppm1=1.292 ppm2=4.545
assign ( resid 177 and name HG2#
)
( resid 200 and name HD1#
) 5.4 1.1 1.1 volume=0.392 peak=2097 ppm1=1.199 ppm2=0.272
assign ( resid 121 and name HG12
)
( resid 124 and name HE#
) 4.8 1.0 1.0 volume=0.182 peak=2098 ppm1=1.844 ppm2=6.882
assign ( resid 121 and name HG13
)
( resid 124 and name HE#
) 4.9 1.0 1.0 volume=0.152 peak=2099 ppm1=1.699 ppm2=6.878
assign ( resid 187 and name HG
)
( resid 185 and name HA
) 2.7 0.5 0.5 volume=2.932 peak=2100 ppm1=1.835 ppm2=4.284
assign ( resid 219 and name HG
)
( resid 216 and name HA
) 3.1 0.6 0.6 volume=1.206 peak=2101 ppm1=1.843 ppm2=4.089
assign ( resid 121 and name HB
)
( resid 124 and name H
) 4.4 0.9 0.9 volume=0.140 peak=2102 ppm1=2.318 ppm2=8.232
assign ( resid 121 and name HB
)
( resid 124 and name HE#
) 5.0 1.0 1.0 volume=0.131 peak=2103 ppm1=2.317 ppm2=6.892
assign ( resid 158 and name HA
)
( resid 159 and name H
or resid 162 and name H
) 4.2 0.8 0.8 volume=0.192 peak=2104 ppm1=4.305 ppm2=7.716
assign ( resid 37 and name HA
)
( resid 37 and name HD#
or resid 37 and name H
) 3.7 0.7 0.7 volume=0.593 peak=2105 ppm1=4.304 ppm2=7.366
assign ( resid 37 and name HA
)
( resid 37 and name HE#
) 5.0 1.0 1.0 volume=0.130 peak=2106 ppm1=4.299 ppm2=6.862
assign ( resid 37 and name HA
)
( resid 37 and name HB3
) 4.0 0.8 0.8 volume=0.258 peak=2107 ppm1=4.297 ppm2=3.263
assign ( resid 197 and name HD1#
)
( resid 198 and name H
) 5.1 1.0 1.0 volume=0.175 peak=2108 ppm1=1.086 ppm2=8.730
assign ( resid 197 and name HD1#
)
( resid 200 and name H
) 4.7 0.9 0.9 volume=0.291 peak=2109 ppm1=1.084 ppm2=8.534
assign ( resid 173 and name HD1#
)
( resid 170 and name HA
) 3.8 0.8 0.8 volume=1.011 peak=2110 ppm1=0.994 ppm2=4.515
assign ( resid 102 and name HD1#
)
( resid 105 and name HB2
) 5.6 1.1 1.1 volume=0.108 peak=2111 ppm1=1.032 ppm2=2.732
assign ( resid 135 and name HD1#
)
( resid 138 and name HG1#
) 5.1 1.0 1.0 volume=0.528 peak=2112 ppm1=1.006 ppm2=0.455
assign ( resid 102 and name HG2#
)
( resid 105 and name HB2
) 5.4 1.1 1.1 volume=0.131 peak=2113 ppm1=1.014 ppm2=2.728
assign ( resid 135 and name HG12
)
( resid 134 and name H
or resid 137 and name H
) 4.7 0.9 0.9 volume=0.104 peak=2114 ppm1=1.479 ppm2=8.517
assign ( resid 177 and name HD1#
)
( resid 176 and name HB2
) 4.9 1.0 1.0 volume=0.223 peak=2115 ppm1=0.758 ppm2=3.499
assign ( resid 177 and name HD1#
)
( resid 176 and name HB3
) 5.3 1.1 1.1 volume=0.146 peak=2116 ppm1=0.758 ppm2=3.115
assign ( resid 27 and name HB3
)
( resid 28 and name HB3
) 3.7 0.7 0.7 volume=0.417 peak=2117 ppm1=1.904 ppm2=2.808
assign ( resid 135 and name HB
or resid 197 and name HB
)
( resid 135 and name H
) 3.1 0.6 0.6 volume=1.285 peak=2118 ppm1=2.351 ppm2=8.169
assign ( resid 197 and name HB
)
( resid 198 and name H
) 4.5 0.9 0.9 volume=0.122 peak=2119 ppm1=2.330 ppm2=8.764
assign ( resid 197 and name HB
)
( resid 194 and name HG2#
) 4.6 0.9 0.9 volume=0.341 peak=2120 ppm1=2.347 ppm2=0.818
assign ( resid 135 and name HB
or resid 197 and name HB
)
( resid 136 and name HA2
) 4.3 0.9 0.9 volume=0.160 peak=2121 ppm1=2.333 ppm2=3.939
assign ( resid 197 and name HB
)
( resid 197 and name HA
) 4.2 0.8 0.8 volume=0.206 peak=2122 ppm1=2.301 ppm2=3.853
assign ( resid 149 and name HB#
or resid 156 and name HG2#
)
( resid 160 and name H
) 4.6 0.9 0.9 volume=0.339 peak=2123 ppm1=1.077 ppm2=9.068
assign ( resid 211 and name HG12
)
( resid 163 and name HA
) 4.3 0.9 0.9 volume=0.181 peak=2124 ppm1=1.265 ppm2=4.140
assign ( resid 156 and name HG12
)
( resid 153 and name H
) 4.8 1.0 1.0 volume=0.090 peak=2125 ppm1=1.264 ppm2=8.000
assign ( resid 211 and name HG12
)
( resid 212 and name H
) 4.7 0.9 0.9 volume=0.105 peak=2126 ppm1=1.262 ppm2=7.800
assign ( resid 211 and name HG12
)
( resid 163 and name HD1#
) 5.5 1.1 1.1 volume=0.120 peak=2127 ppm1=1.267 ppm2=0.271
assign ( resid 197 and name HA
)
( resid 200 and name HD1#
) 4.9 1.0 1.0 volume=0.237 peak=2128 ppm1=3.869 ppm2=0.271
assign ( resid 208 and name HA
)
( resid 163 and name HD1#
) 4.8 1.0 1.0 volume=0.268 peak=2129 ppm1=3.885 ppm2=0.270
assign ( resid 140 and name HA
)
( resid 140 and name HB2
) 3.9 0.8 0.8 volume=0.322 peak=2130 ppm1=3.667 ppm2=3.311
assign ( resid 140 and name HA
)
( resid 140 and name HB3
) 4.2 0.8 0.8 volume=0.186 peak=2131 ppm1=3.665 ppm2=2.964
assign ( resid 173 and name HD1#
)
( resid 177 and name HD1#
or resid 200 and name HD2#
) 3.9 0.8 0.8 volume=2.936 peak=2132 ppm1=0.999 ppm2=0.807
assign ( resid 149 and name HB#
)
( resid 146 and name HB
) 5.0 1.0 1.0 volume=0.201 peak=2133 ppm1=1.090 ppm2=4.423
assign ( resid 149 and name HB#
or resid 156 and name HG2#
)
( resid 160 and name HB3
) 4.5 0.9 0.9 volume=0.393 peak=2134 ppm1=1.091 ppm2=3.041
assign ( resid 173 and name HG2#
)
( resid 173 and name HB
or resid 173 and name HG13
) 3.3 0.7 0.7 volume=2.721 peak=2135 ppm1=0.991 ppm2=2.286
assign ( resid 149 and name HB#
or resid 156 and name HG2#
)
( resid 90 and name HB3
) 4.2 0.8 0.8 volume=0.626 peak=2136 ppm1=1.079 ppm2=2.462
assign ( resid 173 and name HG12
or resid 177 and name HG13
)
( resid 200 and name HD1#
) 5.3 1.1 1.1 volume=0.145 peak=2137 ppm1=1.353 ppm2=0.277
assign ( resid 173 and name HG12
or resid 177 and name HG13
)
( resid 174 and name H
or resid 176 and name H
) 4.4 0.9 0.9 volume=0.154 peak=2138 ppm1=1.368 ppm2=7.558
assign ( resid 173 and name HG13
)
( resid 200 and name HD2#
) 5.1 1.0 1.0 volume=0.191 peak=2139 ppm1=2.284 ppm2=0.813
assign ( resid 158 and name HB3
or resid 158 and name HB2
)
( resid 158 and name HA
) 2.6 0.5 0.5 volume=3.739 peak=2140 ppm1=4.124 ppm2=4.279
assign ( resid 173 and name HA
)
( resid 200 and name HD2#
) 5.3 1.1 1.1 volume=0.146 peak=2141 ppm1=4.142 ppm2=0.800
assign ( resid 91 and name HB#
)
( resid 160 and name HB2
) 5.2 1.0 1.0 volume=0.171 peak=2142 ppm1=1.209 ppm2=3.306
assign ( resid 103 and name HA
)
( resid 103 and name HG2#
) 3.8 0.8 0.8 volume=1.018 peak=2143 ppm1=3.899 ppm2=1.218
assign ( resid 103 and name HA
)
( resid 103 and name HB
or resid 106 and name HB
) 4.1 0.8 0.8 volume=0.226 peak=2144 ppm1=3.900 ppm2=4.495
assign ( resid 103 and name HG2#
)
( resid 103 and name HB
) 3.5 0.7 0.7 volume=1.754 peak=2145 ppm1=1.224 ppm2=4.489
assign ( resid 103 and name HB
)
( resid 103 and name HG2#
) 4.1 0.8 0.8 volume=0.710 peak=2146 ppm1=4.494 ppm2=1.240
assign ( resid 103 and name HA
)
( resid 103 and name H
) 4.4 0.9 0.9 volume=0.156 peak=2147 ppm1=3.899 ppm2=8.115
assign ( resid 103 and name HA
)
( resid 104 and name H
or resid 107 and name H
) 4.3 0.9 0.9 volume=0.180 peak=2148 ppm1=3.896 ppm2=8.365
assign ( resid 106 and name HA
)
( resid 106 and name H
or resid 107 and name H
) 4.3 0.9 0.9 volume=0.177 peak=2149 ppm1=4.256 ppm2=8.299
assign ( resid 106 and name HB
)
( resid 106 and name H
or resid 107 and name H
) 3.8 0.8 0.8 volume=0.366 peak=2150 ppm1=4.504 ppm2=8.309
assign ( resid 177 and name HG12
)
( resid 178 and name H
) 4.6 0.9 0.9 volume=0.115 peak=2151 ppm1=1.602 ppm2=8.186
assign ( resid 177 and name HG12
)
( resid 176 and name H
) 4.7 0.9 0.9 volume=0.103 peak=2152 ppm1=1.603 ppm2=7.538
assign ( resid 177 and name HG12
)
( resid 177 and name HA
) 4.4 0.9 0.9 volume=0.157 peak=2153 ppm1=1.600 ppm2=3.824
assign ( resid 177 and name HG12
)
( resid 200 and name HD1#
) 5.7 1.1 1.1 volume=0.091 peak=2154 ppm1=1.607 ppm2=0.290
assign ( resid 177 and name HB
)
( resid 200 and name HD1#
) 5.5 1.1 1.1 volume=0.112 peak=2155 ppm1=2.221 ppm2=0.273
assign ( resid 211 and name HA
)
( resid 214 and name HB3
or resid 214 and name HB2
) 4.0 0.8 0.8 volume=0.279 peak=2156 ppm1=3.824 ppm2=2.816
assign ( resid 197 and name HB
)
( resid 196 and name HB3
) 3.4 0.7 0.7 volume=0.721 peak=2157 ppm1=2.355 ppm2=1.385
assign ( resid 197 and name HB
)
( resid 196 and name HB3
) 3.9 0.8 0.8 volume=0.304 peak=2158 ppm1=2.303 ppm2=1.362
assign ( resid 156 and name HA
or resid 160 and name HA
or resid 197 and name HA
)
( resid 160 and name HB3
) 4.6 0.9 0.9 volume=0.116 peak=2159 ppm1=3.868 ppm2=3.037
assign ( resid 197 and name HG12
)
( resid 200 and name HD1#
) 5.5 1.1 1.1 volume=0.111 peak=2160 ppm1=1.591 ppm2=0.280
assign ( resid 197 and name HG12
)
( resid 177 and name HD1#
or resid 194 and name HG2#
or resid 200 and name HD2#
) 5.1 1.0 1.0 volume=0.191 peak=2161 ppm1=1.590 ppm2=0.784
assign ( resid 197 and name HG12
)
( resid 197 and name HB
) 4.3 0.9 0.9 volume=0.168 peak=2162 ppm1=1.594 ppm2=2.330
assign ( resid 211 and name HD1#
)
( resid 166 and name HD2#
) 3.9 0.8 0.8 volume=2.656 peak=2163 ppm1=0.913 ppm2=1.084
assign ( resid 83 and name HG2#
)
( resid 87 and name H
) 5.1 1.0 1.0 volume=0.182 peak=2164 ppm1=0.855 ppm2=8.620
assign ( resid 27 and name HB3
)
( resid 27 and name H
) 3.4 0.7 0.7 volume=0.657 peak=2165 ppm1=1.901 ppm2=7.357
assign ( resid 10 and name HG
)
( resid 10 and name HA
) 3.1 0.6 0.6 volume=1.116 peak=2166 ppm1=1.972 ppm2=4.155
assign ( resid 27 and name HB3
or resid 96 and name HB2
)
( resid 28 and name HB2
or resid 97 and name HG3
) 3.7 0.7 0.7 volume=0.398 peak=2167 ppm1=1.900 ppm2=2.518
assign ( resid 211 and name HB
)
( resid 163 and name HD1#
) 4.8 1.0 1.0 volume=0.251 peak=2168 ppm1=2.076 ppm2=0.275
assign ( resid 51 and name HA
)
( resid 54 and name HE#
) 4.5 0.9 0.9 volume=0.413 peak=2169 ppm1=3.891 ppm2=1.276
assign ( resid 206 and name HG1#
)
( resid 206 and name H
) 3.7 0.7 0.7 volume=1.244 peak=2170 ppm1=1.019 ppm2=7.846
assign ( resid 158 and name HB2
)
( resid 159 and name H
) 3.6 0.7 0.7 volume=0.507 peak=2171 ppm1=4.175 ppm2=7.706
assign ( resid 140 and name HA
)
( resid 140 and name H
or resid 143 and name H
) 3.9 0.8 0.8 volume=0.290 peak=2172 ppm1=3.665 ppm2=8.304
assign ( resid 139 and name HA
or resid 199 and name HA
)
( resid 139 and name HB2
or resid 199 and name HB2
) 3.4 0.7 0.7 volume=0.740 peak=2173 ppm1=4.095 ppm2=3.084
assign ( resid 160 and name HA
)
( resid 160 and name HB2
) 4.6 0.9 0.9 volume=0.120 peak=2174 ppm1=3.859 ppm2=3.242
assign ( resid 192 and name HA
)
( resid 192 and name H
) 4.4 0.9 0.9 volume=0.146 peak=2175 ppm1=3.596 ppm2=7.240
assign ( resid 230 and name HA
)
( resid 230 and name HB
) 3.0 0.6 0.6 volume=1.543 peak=2176 ppm1=4.343 ppm2=2.269
assign ( resid 185 and name HA
)
( resid 186 and name H
or resid 187 and name H
) 3.9 0.8 0.8 volume=0.300 peak=2177 ppm1=4.312 ppm2=8.039
assign ( resid 4 and name HG
)
( resid 60 and name HH2
) 3.5 0.7 0.7 volume=0.603 peak=2178 ppm1=1.790 ppm2=7.552
assign ( resid 4 and name HG
)
( resid 8 and name HE#
or resid 69 and name HZ
) 4.8 1.0 1.0 volume=0.113 peak=2179 ppm1=1.783 ppm2=6.707
assign ( resid 89 and name HB2
)
( resid 36 and name HD#
or resid 36 and name HE#
) 4.7 0.9 0.9 volume=0.205 peak=2180 ppm1=1.403 ppm2=6.640
assign ( resid 4 and name HD1#
)
( resid 8 and name HD#
) 5.9 1.2 1.2 volume=0.153 peak=2181 ppm1=0.672 ppm2=7.146
assign ( resid 4 and name HD1#
)
( resid 191 and name H
) 4.6 0.9 0.9 volume=0.359 peak=2182 ppm1=0.673 ppm2=7.746
assign ( resid 200 and name HA
)
( resid 203 and name H
) 4.5 0.9 0.9 volume=0.122 peak=2183 ppm1=3.839 ppm2=8.403
assign ( resid 200 and name HA
)
( resid 200 and name HG
) 3.9 0.8 0.8 volume=0.283 peak=2184 ppm1=3.861 ppm2=1.852
assign ( resid 4 and name HA
or resid 200 and name HA
)
( resid 4 and name HG
or resid 7 and name HG
or resid 200 and name HG
) 4.0 0.8 0.8 volume=0.268 peak=2185 ppm1=3.834 ppm2=1.824
assign ( resid 4 and name HA
)
( resid 7 and name HB3
) 4.2 0.8 0.8 volume=0.208 peak=2186 ppm1=3.813 ppm2=1.176
assign ( resid 6 and name HA
)
( resid 5 and name HB
) 4.7 0.9 0.9 volume=0.105 peak=2187 ppm1=4.272 ppm2=4.880
assign ( resid 5 and name HA
)
( resid 5 and name HB
) 3.9 0.8 0.8 volume=0.298 peak=2188 ppm1=4.349 ppm2=4.848
assign ( resid 5 and name HA
)
( resid 6 and name H
) 4.3 0.9 0.9 volume=0.162 peak=2189 ppm1=4.344 ppm2=7.679
assign ( resid 5 and name HB
)
( resid 9 and name HD1
) 4.2 0.8 0.8 volume=0.189 peak=2190 ppm1=4.838 ppm2=7.326
assign ( resid 5 and name HA
)
( resid 8 and name HD#
) 4.5 0.9 0.9 volume=0.274 peak=2191 ppm1=4.324 ppm2=7.133
assign ( resid 5 and name HA
)
( resid 55 and name HB#
) 5.2 1.0 1.0 volume=0.161 peak=2192 ppm1=4.333 ppm2=0.176
assign ( resid 146 and name HA
)
( resid 146 and name H
or resid 160 and name HD#
) 4.3 0.9 0.9 volume=0.234 peak=2193 ppm1=4.075 ppm2=7.102
assign ( resid 38 and name HA
or resid 167 and name HA
)
( resid 38 and name H
or resid 168 and name H
) 3.9 0.8 0.8 volume=0.309 peak=2194 ppm1=3.780 ppm2=8.783
assign ( resid 167 and name HB
)
( resid 168 and name H
) 4.6 0.9 0.9 volume=0.114 peak=2195 ppm1=4.134 ppm2=8.789
assign ( resid 167 and name HB
)
( resid 167 and name HG2#
) 4.8 1.0 1.0 volume=0.251 peak=2196 ppm1=4.126 ppm2=-0.158
assign ( resid 167 and name HA
)
( resid 167 and name HG2#
) 4.2 0.8 0.8 volume=0.606 peak=2197 ppm1=3.789 ppm2=-0.160
assign ( resid 167 and name HG2#
)
( resid 168 and name HA
) 4.4 0.9 0.9 volume=0.452 peak=2198 ppm1=-0.158 ppm2=3.436
assign ( resid 189 and name HG2#
)
( resid 189 and name H
or resid 191 and name H
) 3.6 0.7 0.7 volume=1.527 peak=2199 ppm1=1.614 ppm2=7.795
assign ( resid 189 and name HB
)
( resid 189 and name H
or resid 191 and name H
) 4.1 0.8 0.8 volume=0.238 peak=2200 ppm1=4.904 ppm2=7.778
assign ( resid 189 and name HB
)
( resid 189 and name HG2#
) 4.4 0.9 0.9 volume=0.421 peak=2201 ppm1=4.914 ppm2=1.608
assign ( resid 6 and name HA
)
( resid 9 and name HD1
) 4.1 0.8 0.8 volume=0.222 peak=2202 ppm1=4.275 ppm2=7.321
assign ( resid 218 and name HB
)
( resid 219 and name HD1#
or resid 219 and name HD2#
) 4.4 0.9 0.9 volume=0.445 peak=2203 ppm1=4.454 ppm2=0.849
assign ( resid 6 and name HB
)
( resid 10 and name HD1#
) 4.4 0.9 0.9 volume=0.453 peak=2204 ppm1=4.482 ppm2=0.984
assign ( resid 146 and name HB
)
( resid 142 and name HG1#
) 4.5 0.9 0.9 volume=0.387 peak=2205 ppm1=4.451 ppm2=1.010
assign ( resid 6 and name HA
)
( resid 9 and name H
) 4.4 0.9 0.9 volume=0.144 peak=2206 ppm1=4.285 ppm2=8.764
assign ( resid 220 and name HA
)
( resid 220 and name H
) 2.9 0.6 0.6 volume=1.760 peak=2207 ppm1=4.298 ppm2=7.994
assign ( resid 220 and name HA
)
( resid 221 and name H
) 3.4 0.7 0.7 volume=0.737 peak=2208 ppm1=4.298 ppm2=7.845
assign ( resid 125 and name HA
or resid 217 and name HA
)
( resid 125 and name H
or resid 218 and name H
or resid 220 and name H
) 3.3 0.7 0.7 volume=0.822 peak=2209 ppm1=4.303 ppm2=7.980
assign ( resid 6 and name HA
)
( resid 9 and name HB3
) 4.4 0.9 0.9 volume=0.141 peak=2210 ppm1=4.295 ppm2=3.666
assign ( resid 7 and name HB3
)
( resid 7 and name HA
) 4.5 0.9 0.9 volume=0.125 peak=2211 ppm1=1.162 ppm2=4.086
assign ( resid 7 and name HB3
)
( resid 7 and name HD1#
or resid 7 and name HD2#
or resid 198 and name HG1#
) 4.3 0.9 0.9 volume=0.544 peak=2212 ppm1=1.160 ppm2=0.890
assign ( resid 219 and name HB2
)
( resid 219 and name HD1#
or resid 219 and name HD2#
) 3.4 0.7 0.7 volume=2.138 peak=2213 ppm1=1.950 ppm2=0.858
assign ( resid 7 and name HB3
)
( resid 194 and name HG1#
) 5.5 1.1 1.1 volume=0.121 peak=2214 ppm1=1.167 ppm2=0.429
assign ( resid 7 and name HB2
or resid 89 and name HB3
)
( resid 36 and name HE#
) 4.9 1.0 1.0 volume=0.152 peak=2215 ppm1=1.898 ppm2=6.632
assign ( resid 89 and name HB3
)
( resid 90 and name H
) 4.4 0.9 0.9 volume=0.149 peak=2216 ppm1=1.901 ppm2=7.828
assign ( resid 10 and name HB2
)
( resid 11 and name H
) 3.9 0.8 0.8 volume=0.328 peak=2217 ppm1=1.898 ppm2=8.151
assign ( resid 89 and name HB3
)
( resid 98 and name HZ
) 4.5 0.9 0.9 volume=0.123 peak=2218 ppm1=1.897 ppm2=7.282
assign ( resid 89 and name HB3
)
( resid 89 and name HB2
) 3.4 0.7 0.7 volume=0.648 peak=2219 ppm1=1.909 ppm2=1.395
assign ( resid 7 and name HD1#
)
( resid 4 and name H
or resid 8 and name H
or resid 194 and name H
) 4.2 0.8 0.8 volume=0.625 peak=2220 ppm1=0.870 ppm2=8.187
assign ( resid 202 and name HD1#
)
( resid 199 and name HD#
) 5.3 1.1 1.1 volume=0.300 peak=2221 ppm1=0.869 ppm2=6.996
assign ( resid 200 and name HG
)
( resid 199 and name HD#
) 4.7 0.9 0.9 volume=0.211 peak=2222 ppm1=1.852 ppm2=6.991
assign ( resid 7 and name HD1#
)
( resid 194 and name HG1#
) 4.4 0.9 0.9 volume=1.403 peak=2223 ppm1=0.874 ppm2=0.430
assign ( resid 126 and name HA
)
( resid 129 and name HG3
) 4.0 0.8 0.8 volume=0.254 peak=2224 ppm1=4.163 ppm2=2.487
assign ( resid 158 and name HB2
)
( resid 159 and name HB2
) 4.0 0.8 0.8 volume=0.268 peak=2225 ppm1=4.172 ppm2=1.690
assign ( resid 158 and name HB2
)
( resid 158 and name H
) 3.3 0.7 0.7 volume=0.895 peak=2226 ppm1=4.173 ppm2=8.309
assign ( resid 93 and name HA
or resid 212 and name HA
)
( resid 94 and name H
or resid 214 and name H
) 3.5 0.7 0.7 volume=0.557 peak=2227 ppm1=4.161 ppm2=8.444
assign ( resid 10 and name HB2
)
( resid 9 and name H
) 4.6 0.9 0.9 volume=0.116 peak=2228 ppm1=1.892 ppm2=8.799
assign ( resid 10 and name HB2
)
( resid 9 and name HB2
or resid 11 and name HA2
or resid 11 and name HA3
) 4.6 0.9 0.9 volume=0.107 peak=2229 ppm1=1.894 ppm2=3.348
assign ( resid 10 and name HG
)
( resid 9 and name H
) 4.2 0.8 0.8 volume=0.186 peak=2230 ppm1=1.965 ppm2=8.795
assign ( resid 10 and name HD1#
)
( resid 9 and name H
) 4.1 0.8 0.8 volume=0.649 peak=2231 ppm1=0.989 ppm2=8.804
assign ( resid 16 and name HD1#
)
( resid 20 and name H
or resid 21 and name H
) 3.9 0.8 0.8 volume=0.971 peak=2232 ppm1=0.994 ppm2=8.202
assign ( resid 40 and name HB3
)
( resid 40 and name H
) 4.6 0.9 0.9 volume=0.108 peak=2233 ppm1=2.064 ppm2=7.530
assign ( resid 20 and name HB3
)
( resid 17 and name HA
or resid 24 and name HB3
) 4.1 0.8 0.8 volume=0.242 peak=2234 ppm1=2.053 ppm2=3.617
assign ( resid 10 and name HB3
)
( resid 9 and name HB2
or resid 11 and name HA2
or resid 11 and name HA3
) 4.4 0.9 0.9 volume=0.146 peak=2235 ppm1=2.060 ppm2=3.348
assign ( resid 47 and name HB#
)
( resid 51 and name HE#
) 5.7 1.1 1.1 volume=0.190 peak=2236 ppm1=1.978 ppm2=7.148
assign ( resid 12 and name HA
or resid 48 and name HA
)
( resid 49 and name H
or resid 51 and name HD#
) 4.6 0.9 0.9 volume=0.150 peak=2237 ppm1=4.241 ppm2=7.633
assign ( resid 97 and name HA
)
( resid 98 and name H
) 4.3 0.9 0.9 volume=0.171 peak=2238 ppm1=4.240 ppm2=8.660
assign ( resid 237 and name HA
)
( resid 237 and name H
) 3.5 0.7 0.7 volume=0.580 peak=2239 ppm1=4.220 ppm2=7.997
assign ( resid 12 and name HA
)
( resid 51 and name HB3
) 4.2 0.8 0.8 volume=0.203 peak=2240 ppm1=4.229 ppm2=2.933
assign ( resid 97 and name HA
)
( resid 93 and name HD1#
or resid 93 and name HD2#
or resid 100 and name HG2#
) 4.4 0.9 0.9 volume=0.426 peak=2241 ppm1=4.231 ppm2=0.738
assign ( resid 218 and name HA
)
( resid 218 and name HG2#
) 3.4 0.7 0.7 volume=1.923 peak=2242 ppm1=4.242 ppm2=1.371
assign ( resid 204 and name HG2#
)
( resid 170 and name HB3
) 4.7 0.9 0.9 volume=0.287 peak=2243 ppm1=1.815 ppm2=2.484
assign ( resid 13 and name HG12
)
( resid 14 and name H
) 4.5 0.9 0.9 volume=0.131 peak=2244 ppm1=1.355 ppm2=8.845
assign ( resid 13 and name HG13
)
( resid 14 and name H
) 4.5 0.9 0.9 volume=0.127 peak=2245 ppm1=2.064 ppm2=8.830
assign ( resid 13 and name HA
)
( resid 14 and name H
) 4.7 0.9 0.9 volume=0.095 peak=2246 ppm1=3.840 ppm2=8.856
assign ( resid 158 and name HB3
)
( resid 158 and name H
) 3.2 0.6 0.6 volume=0.957 peak=2247 ppm1=4.084 ppm2=8.310
assign ( resid 129 and name HA
)
( resid 129 and name H
or resid 130 and name H
or resid 132 and name H
) 3.2 0.6 0.6 volume=0.980 peak=2248 ppm1=4.084 ppm2=8.050
assign ( resid 63 and name HA
or resid 199 and name HA
)
( resid 62 and name HB2
or resid 198 and name HB
or resid 202 and name HB3
) 3.9 0.8 0.8 volume=0.329 peak=2249 ppm1=4.085 ppm2=2.339
assign ( resid 129 and name HA
)
( resid 132 and name HG1#
) 4.0 0.8 0.8 volume=0.838 peak=2250 ppm1=4.080 ppm2=1.155
assign ( resid 27 and name HA
)
( resid 27 and name HG2
or resid 29 and name HB#
) 3.7 0.7 0.7 volume=0.671 peak=2251 ppm1=4.032 ppm2=1.443
assign ( resid 20 and name HA
or resid 213 and name HA
)
( resid 20 and name HG
or resid 20 and name HB3
or resid 213 and name HB3
) 3.0 0.6 0.6 volume=1.469 peak=2252 ppm1=4.131 ppm2=2.089
assign ( resid 213 and name HA
)
( resid 25 and name HB#
or resid 213 and name HB2
) 3.5 0.7 0.7 volume=0.903 peak=2253 ppm1=4.129 ppm2=1.852
assign ( resid 20 and name HA
or resid 213 and name HA
)
( resid 23 and name HB#
or resid 216 and name HB#
) 3.5 0.7 0.7 volume=1.778 peak=2254 ppm1=4.130 ppm2=1.691
assign ( resid 213 and name HA
)
( resid 212 and name HB#
) 3.8 0.8 0.8 volume=1.145 peak=2255 ppm1=4.126 ppm2=1.425
assign ( resid 219 and name HB2
)
( resid 219 and name HB3
) 2.8 0.6 0.6 volume=2.141 peak=2256 ppm1=1.952 ppm2=1.623
assign ( resid 16 and name HB3
or resid 180 and name HB3
)
( resid 16 and name HD1#
or resid 16 and name HD2#
or resid 17 and name HG2#
or resid 180 and name HD2#
or resid 180 and name HD1#
or resid 188 and name HD1#
or resid 188 and name HD2#
) 3.1 0.6 0.6 volume=3.303 peak=2257 ppm1=2.111 ppm2=0.988
assign ( resid 16 and name HB3
)
( resid 18 and name H
) 4.6 0.9 0.9 volume=0.116 peak=2258 ppm1=2.126 ppm2=7.992
assign ( resid 16 and name HB3
)
( resid 17 and name HA
) 4.3 0.9 0.9 volume=0.162 peak=2259 ppm1=2.122 ppm2=3.594
assign ( resid 17 and name HA
)
( resid 18 and name H
) 4.4 0.9 0.9 volume=0.156 peak=2260 ppm1=3.613 ppm2=7.963
assign ( resid 135 and name HA
)
( resid 136 and name H
) 4.5 0.9 0.9 volume=0.137 peak=2261 ppm1=3.592 ppm2=7.983
assign ( resid 135 and name HA
)
( resid 138 and name H
) 4.2 0.8 0.8 volume=0.206 peak=2262 ppm1=3.594 ppm2=8.733
assign ( resid 135 and name HA
)
( resid 137 and name H
) 4.4 0.9 0.9 volume=0.139 peak=2263 ppm1=3.598 ppm2=8.536
assign ( resid 203 and name HA
)
( resid 202 and name HA
or resid 204 and name HA
) 4.0 0.8 0.8 volume=0.259 peak=2264 ppm1=3.589 ppm2=4.178
assign ( resid 17 and name HB
)
( resid 18 and name H
) 3.7 0.7 0.7 volume=0.416 peak=2265 ppm1=2.392 ppm2=7.964
assign ( resid 107 and name HB
)
( resid 107 and name H
) 3.7 0.7 0.7 volume=0.426 peak=2266 ppm1=2.390 ppm2=8.343
assign ( resid 107 and name HB
)
( resid 133 and name HB#
) 4.2 0.8 0.8 volume=0.624 peak=2267 ppm1=2.394 ppm2=1.669
assign ( resid 170 and name HD2#
)
( resid 204 and name HA
) 3.9 0.8 0.8 volume=0.848 peak=2268 ppm1=1.150 ppm2=4.130
assign ( resid 170 and name HD2#
)
( resid 200 and name HA
) 3.9 0.8 0.8 volume=0.909 peak=2269 ppm1=1.151 ppm2=3.854
assign ( resid 166 and name HD1#
)
( resid 163 and name HB3
) 3.7 0.7 0.7 volume=1.207 peak=2270 ppm1=1.152 ppm2=1.709
assign ( resid 17 and name HG1#
or resid 107 and name HG2#
)
( resid 13 and name HG2#
or resid 13 and name HD1#
or resid 16 and name HD1#
or resid 16 and name HD2#
or resid 17 and name HG2#
or resid 20 and name HD2#
or resid 20 and name HD1#
or resid 104 and name HD1#
or resid 107 and name HG1#
) 2.5 0.5 0.5 volume=37.133 peak=2271 ppm1=1.151 ppm2=0.980
assign ( resid 126 and name HA
)
( resid 127 and name H
or resid 129 and name H
) 3.9 0.8 0.8 volume=0.318 peak=2272 ppm1=4.155 ppm2=8.044
assign ( resid 110 and name HB3
)
( resid 107 and name HA
) 3.8 0.8 0.8 volume=0.381 peak=2273 ppm1=1.557 ppm2=3.532
assign ( resid 137 and name HB2
)
( resid 137 and name HB3
) 4.3 0.9 0.9 volume=0.178 peak=2274 ppm1=1.553 ppm2=2.413
assign ( resid 110 and name HB3
)
( resid 110 and name HB2
or resid 110 and name HG
) 2.8 0.6 0.6 volume=2.345 peak=2275 ppm1=1.557 ppm2=1.991
assign ( resid 110 and name HB3
)
( resid 106 and name HG2#
) 4.2 0.8 0.8 volume=0.597 peak=2276 ppm1=1.557 ppm2=1.360
assign ( resid 196 and name HG
)
( resid 192 and name HA
) 3.8 0.8 0.8 volume=0.331 peak=2277 ppm1=2.073 ppm2=3.602
assign ( resid 20 and name HG
or resid 196 and name HG
)
( resid 20 and name HB2
or resid 195 and name HB#
) 3.4 0.7 0.7 volume=1.094 peak=2278 ppm1=2.060 ppm2=1.537
assign ( resid 150 and name HA
)
( resid 151 and name H
or resid 152 and name H
) 4.1 0.8 0.8 volume=0.243 peak=2279 ppm1=4.261 ppm2=7.545
assign ( resid 150 and name HA
)
( resid 150 and name H
) 4.0 0.8 0.8 volume=0.280 peak=2280 ppm1=4.259 ppm2=7.905
assign ( resid 96 and name HA
or resid 97 and name HA
)
( resid 96 and name H
or resid 97 and name H
or resid 99 and name H
) 3.2 0.6 0.6 volume=1.030 peak=2281 ppm1=4.259 ppm2=8.372
assign ( resid 21 and name HA
)
( resid 24 and name HB2
) 3.9 0.8 0.8 volume=0.313 peak=2282 ppm1=4.242 ppm2=3.517
assign ( resid 159 and name HA
)
( resid 90 and name HD2#
or resid 159 and name HD1#
) 3.4 0.7 0.7 volume=2.037 peak=2283 ppm1=4.253 ppm2=0.981
assign ( resid 21 and name HB#
)
( resid 22 and name HA
) 4.8 1.0 1.0 volume=0.254 peak=2284 ppm1=1.520 ppm2=4.866
assign ( resid 237 and name HA
)
( resid 238 and name H
) 3.3 0.7 0.7 volume=0.779 peak=2285 ppm1=4.216 ppm2=8.291
assign ( resid 172 and name HA
)
( resid 134 and name HE#
or resid 176 and name HE#
) 4.1 0.8 0.8 volume=0.440 peak=2286 ppm1=4.205 ppm2=7.477
assign ( resid 172 and name HA
)
( resid 134 and name HZ
) 3.7 0.7 0.7 volume=0.442 peak=2287 ppm1=4.208 ppm2=7.389
assign ( resid 23 and name HA
)
( resid 27 and name HG2
or resid 41 and name HG2#
) 3.3 0.7 0.7 volume=1.339 peak=2288 ppm1=4.209 ppm2=1.454
assign ( resid 23 and name HA
)
( resid 41 and name HG1#
) 4.7 0.9 0.9 volume=0.315 peak=2289 ppm1=4.203 ppm2=1.149
assign ( resid 48 and name HB#
)
( resid 16 and name H
) 3.9 0.8 0.8 volume=0.922 peak=2290 ppm1=1.684 ppm2=8.981
assign ( resid 172 and name HB#
)
( resid 168 and name HA
) 4.6 0.9 0.9 volume=0.349 peak=2291 ppm1=1.949 ppm2=3.435
assign ( resid 23 and name HB#
or resid 216 and name HB#
)
( resid 22 and name HB2
or resid 220 and name HD2
or resid 220 and name HD3
) 4.0 0.8 0.8 volume=0.768 peak=2292 ppm1=1.691 ppm2=3.393
assign ( resid 116 and name HB#
)
( resid 116 and name HA
) 3.3 0.7 0.7 volume=2.368 peak=2293 ppm1=1.602 ppm2=4.113
assign ( resid 25 and name HA
)
( resid 24 and name HD1
) 4.0 0.8 0.8 volume=0.272 peak=2294 ppm1=4.074 ppm2=7.292
assign ( resid 25 and name HB#
)
( resid 217 and name HA
) 4.2 0.8 0.8 volume=0.552 peak=2295 ppm1=1.890 ppm2=4.248
assign ( resid 25 and name HB#
)
( resid 22 and name HB3
or resid 24 and name HB2
) 4.3 0.9 0.9 volume=0.493 peak=2296 ppm1=1.890 ppm2=3.549
assign ( resid 25 and name HB#
)
( resid 22 and name HB2
) 4.8 1.0 1.0 volume=0.270 peak=2297 ppm1=1.892 ppm2=3.349
assign ( resid 25 and name HB#
)
( resid 26 and name HA2
or resid 37 and name HB2
) 4.6 0.9 0.9 volume=0.330 peak=2298 ppm1=1.891 ppm2=3.161
assign ( resid 25 and name HB#
)
( resid 40 and name HD2#
) 6.2 1.2 1.2 volume=0.169 peak=2299 ppm1=1.893 ppm2=0.508
assign ( resid 191 and name HG2#
)
( resid 191 and name HB
) 3.3 0.7 0.7 volume=2.411 peak=2300 ppm1=1.264 ppm2=4.084
assign ( resid 191 and name HB
)
( resid 192 and name H
) 3.9 0.8 0.8 volume=0.329 peak=2301 ppm1=4.086 ppm2=7.246
assign ( resid 191 and name HB
)
( resid 191 and name H
) 3.8 0.8 0.8 volume=0.374 peak=2302 ppm1=4.082 ppm2=7.764
assign ( resid 204 and name HA
)
( resid 204 and name H
) 4.4 0.9 0.9 volume=0.141 peak=2303 ppm1=4.152 ppm2=9.385
assign ( resid 204 and name HG2#
)
( resid 204 and name H
) 4.4 0.9 0.9 volume=0.465 peak=2304 ppm1=1.814 ppm2=9.387
assign ( resid 204 and name HG2#
)
( resid 204 and name HB
) 4.8 1.0 1.0 volume=0.259 peak=2305 ppm1=1.817 ppm2=4.656
assign ( resid 218 and name HA
)
( resid 218 and name H
or resid 220 and name H
) 3.2 0.6 0.6 volume=1.009 peak=2306 ppm1=4.241 ppm2=7.976
assign ( resid 218 and name HB
)
( resid 218 and name H
) 3.0 0.6 0.6 volume=1.552 peak=2307 ppm1=4.451 ppm2=7.971
assign ( resid 218 and name HA
)
( resid 218 and name HB
) 3.1 0.6 0.6 volume=1.331 peak=2308 ppm1=4.241 ppm2=4.443
assign ( resid 29 and name HA
)
( resid 28 and name H
) 4.4 0.9 0.9 volume=0.157 peak=2309 ppm1=4.336 ppm2=7.909
assign ( resid 29 and name HA
)
( resid 28 and name HA
) 4.4 0.9 0.9 volume=0.154 peak=2310 ppm1=4.331 ppm2=4.941
assign ( resid 29 and name HA
)
( resid 37 and name HE#
) 5.3 1.1 1.1 volume=0.102 peak=2311 ppm1=4.336 ppm2=6.850
assign ( resid 29 and name HB#
)
( resid 28 and name HA
) 4.6 0.9 0.9 volume=0.327 peak=2312 ppm1=1.477 ppm2=4.942
assign ( resid 29 and name HA
)
( resid 30 and name HA3
or resid 30 and name HA2
) 3.8 0.8 0.8 volume=0.351 peak=2313 ppm1=4.336 ppm2=4.136
assign ( resid 29 and name HB#
)
( resid 28 and name HB3
) 5.3 1.1 1.1 volume=0.143 peak=2314 ppm1=1.479 ppm2=2.822
assign ( resid 29 and name HA
)
( resid 28 and name HB2
or resid 33 and name HG3
or resid 33 and name HG2
) 3.7 0.7 0.7 volume=0.415 peak=2315 ppm1=4.328 ppm2=2.496
assign ( resid 29 and name HB#
)
( resid 33 and name HB3
) 3.4 0.7 0.7 volume=2.143 peak=2316 ppm1=1.477 ppm2=1.897
assign ( resid 36 and name HD#
)
( resid 37 and name HD#
or resid 37 and name H
or resid 86 and name HD#
) 4.2 0.8 0.8 volume=0.585 peak=2317 ppm1=6.699 ppm2=7.363
assign ( resid 139 and name HA
)
( resid 139 and name HB3
or resid 143 and name HA2
) 3.6 0.7 0.7 volume=0.462 peak=2318 ppm1=4.105 ppm2=3.611
assign ( resid 36 and name HA
)
( resid 36 and name HB2
) 4.3 0.9 0.9 volume=0.160 peak=2319 ppm1=4.102 ppm2=2.928
assign ( resid 36 and name HD#
)
( resid 36 and name HB2
) 4.2 0.8 0.8 volume=0.386 peak=2320 ppm1=6.701 ppm2=2.932
assign ( resid 36 and name HE#
)
( resid 90 and name HB3
) 4.0 0.8 0.8 volume=0.549 peak=2321 ppm1=6.617 ppm2=2.474
assign ( resid 36 and name HE#
)
( resid 90 and name HG
) 4.3 0.9 0.9 volume=0.352 peak=2322 ppm1=6.618 ppm2=2.098
assign ( resid 36 and name HD#
)
( resid 33 and name HB2
) 5.2 1.0 1.0 volume=0.108 peak=2323 ppm1=6.698 ppm2=2.084
assign ( resid 36 and name HD#
)
( resid 89 and name HB3
) 4.6 0.9 0.9 volume=0.240 peak=2324 ppm1=6.699 ppm2=1.901
assign ( resid 36 and name HD#
)
( resid 39 and name HG2#
) 4.9 1.0 1.0 volume=0.449 peak=2325 ppm1=6.701 ppm2=1.707
assign ( resid 36 and name HE#
)
( resid 89 and name HB3
) 4.4 0.9 0.9 volume=0.302 peak=2326 ppm1=6.617 ppm2=1.899
assign ( resid 36 and name HE#
)
( resid 90 and name HB2
) 3.9 0.8 0.8 volume=0.624 peak=2327 ppm1=6.617 ppm2=1.701
assign ( resid 36 and name HD#
)
( resid 89 and name HB2
) 3.5 0.7 0.7 volume=1.209 peak=2328 ppm1=6.700 ppm2=1.410
assign ( resid 36 and name HE#
)
( resid 89 and name HB2
) 3.5 0.7 0.7 volume=1.175 peak=2329 ppm1=6.617 ppm2=1.407
assign ( resid 36 and name HE#
)
( resid 90 and name HD1#
) 5.0 1.0 1.0 volume=0.405 peak=2330 ppm1=6.617 ppm2=1.079
assign ( resid 36 and name HE#
)
( resid 90 and name HD2#
) 4.4 0.9 0.9 volume=0.842 peak=2331 ppm1=6.617 ppm2=0.940
assign ( resid 36 and name HD#
)
( resid 90 and name HD2#
) 4.6 0.9 0.9 volume=0.646 peak=2332 ppm1=6.699 ppm2=0.967
assign ( resid 36 and name HE#
)
( resid 89 and name HD2#
) 5.4 1.1 1.1 volume=0.264 peak=2333 ppm1=6.616 ppm2=0.623
assign ( resid 8 and name HE#
or resid 69 and name HD#
or resid 86 and name HZ
)
( resid 40 and name HD1#
or resid 194 and name HG1#
) 5.3 1.1 1.1 volume=0.208 peak=2334 ppm1=6.699 ppm2=0.419
assign ( resid 36 and name HD#
)
( resid 34 and name HA
or resid 39 and name HB
) 4.4 0.9 0.9 volume=0.297 peak=2335 ppm1=6.699 ppm2=4.779
assign ( resid 36 and name HD#
)
( resid 86 and name HE#
) 3.6 0.7 0.7 volume=1.974 peak=2336 ppm1=6.693 ppm2=7.001
assign ( resid 84 and name HA
)
( resid 87 and name H
) 4.5 0.9 0.9 volume=0.124 peak=2337 ppm1=3.779 ppm2=8.604
assign ( resid 173 and name HB
)
( resid 200 and name HD1#
) 4.9 1.0 1.0 volume=0.234 peak=2338 ppm1=2.306 ppm2=0.275
assign ( resid 173 and name HB
)
( resid 177 and name HD1#
or resid 200 and name HD2#
) 4.5 0.9 0.9 volume=0.390 peak=2339 ppm1=2.296 ppm2=0.802
assign ( resid 84 and name HG1#
)
( resid 80 and name HG2#
) 5.2 1.0 1.0 volume=0.496 peak=2340 ppm1=1.285 ppm2=0.472
assign ( resid 84 and name HG1#
)
( resid 167 and name HG2#
) 6.0 1.2 1.2 volume=0.215 peak=2341 ppm1=1.289 ppm2=-0.159
assign ( resid 137 and name HD2#
)
( resid 138 and name H
) 4.3 0.9 0.9 volume=0.493 peak=2342 ppm1=1.189 ppm2=8.714
assign ( resid 137 and name HD2#
)
( resid 105 and name H
) 3.9 0.8 0.8 volume=0.878 peak=2343 ppm1=1.190 ppm2=8.231
assign ( resid 39 and name HA
)
( resid 41 and name H
or resid 43 and name H
) 4.7 0.9 0.9 volume=0.096 peak=2344 ppm1=4.022 ppm2=8.312
assign ( resid 39 and name HA
)
( resid 86 and name HD#
) 5.4 1.1 1.1 volume=0.086 peak=2345 ppm1=4.026 ppm2=7.370
assign ( resid 39 and name HB
)
( resid 86 and name HD#
) 3.7 0.7 0.7 volume=0.878 peak=2346 ppm1=4.738 ppm2=7.403
assign ( resid 39 and name HA
)
( resid 82 and name HD1#
) 4.4 0.9 0.9 volume=0.430 peak=2347 ppm1=4.030 ppm2=0.997
assign ( resid 39 and name HB
)
( resid 85 and name HE#
) 4.6 0.9 0.9 volume=0.229 peak=2348 ppm1=4.775 ppm2=6.515
assign ( resid 7 and name HA
or resid 16 and name HA
or resid 213 and name HA
)
( resid 10 and name H
or resid 19 and name H
or resid 214 and name H
) 4.0 0.8 0.8 volume=0.256 peak=2349 ppm1=4.111 ppm2=8.400
assign ( resid 40 and name HD2#
)
( resid 41 and name H
) 5.1 1.0 1.0 volume=0.182 peak=2350 ppm1=0.510 ppm2=8.297
assign ( resid 40 and name HD2#
)
( resid 209 and name H
) 5.5 1.1 1.1 volume=0.119 peak=2351 ppm1=0.512 ppm2=8.048
assign ( resid 40 and name HB2
)
( resid 40 and name H
) 4.7 0.9 0.9 volume=0.104 peak=2352 ppm1=1.017 ppm2=7.535
assign ( resid 40 and name HB2
)
( resid 40 and name HA
) 4.5 0.9 0.9 volume=0.121 peak=2353 ppm1=1.019 ppm2=4.144
assign ( resid 163 and name HD2#
)
( resid 86 and name HZ
) 4.6 0.9 0.9 volume=0.321 peak=2354 ppm1=0.516 ppm2=6.681
assign ( resid 40 and name HD2#
)
( resid 22 and name HE#
or resid 22 and name HD#
) 5.0 1.0 1.0 volume=0.391 peak=2355 ppm1=0.512 ppm2=7.181
assign ( resid 163 and name HD2#
)
( resid 212 and name H
) 4.8 1.0 1.0 volume=0.258 peak=2356 ppm1=0.517 ppm2=7.809
assign ( resid 40 and name HB2
)
( resid 40 and name HB3
or resid 40 and name HG
) 4.3 0.9 0.9 volume=0.159 peak=2357 ppm1=1.015 ppm2=2.076
assign ( resid 40 and name HB2
)
( resid 39 and name HG2#
) 5.4 1.1 1.1 volume=0.133 peak=2358 ppm1=1.015 ppm2=1.712
assign ( resid 196 and name HG
)
( resid 196 and name HB3
) 3.3 0.7 0.7 volume=0.900 peak=2359 ppm1=2.076 ppm2=1.401
assign ( resid 163 and name HD2#
)
( resid 86 and name HB3
or resid 90 and name HB3
) 5.4 1.1 1.1 volume=0.136 peak=2360 ppm1=0.519 ppm2=2.460
assign ( resid 41 and name HA
)
( resid 41 and name H
or resid 43 and name H
) 3.9 0.8 0.8 volume=0.314 peak=2361 ppm1=4.072 ppm2=8.304
assign ( resid 41 and name HB
)
( resid 41 and name H
) 3.8 0.8 0.8 volume=0.368 peak=2362 ppm1=2.579 ppm2=8.315
assign ( resid 41 and name HA
)
( resid 42 and name H
) 4.3 0.9 0.9 volume=0.167 peak=2363 ppm1=4.075 ppm2=8.577
assign ( resid 41 and name HG2#
)
( resid 39 and name H
) 5.5 1.1 1.1 volume=0.111 peak=2364 ppm1=1.466 ppm2=7.786
assign ( resid 146 and name HA
)
( resid 149 and name H
) 4.5 0.9 0.9 volume=0.121 peak=2365 ppm1=4.060 ppm2=7.937
assign ( resid 41 and name HA
)
( resid 41 and name HB
) 4.1 0.8 0.8 volume=0.229 peak=2366 ppm1=4.074 ppm2=2.574
assign ( resid 191 and name HB
)
( resid 1 and name HE#
) 5.1 1.0 1.0 volume=0.184 peak=2367 ppm1=4.072 ppm2=2.251
assign ( resid 191 and name HB
)
( resid 4 and name HD2#
or resid 7 and name HD2#
) 4.4 0.9 0.9 volume=0.464 peak=2368 ppm1=4.083 ppm2=0.927
assign ( resid 191 and name HB
)
( resid 4 and name HD1#
) 5.1 1.0 1.0 volume=0.184 peak=2369 ppm1=4.082 ppm2=0.673
assign ( resid 41 and name HB
)
( resid 38 and name HA
) 3.8 0.8 0.8 volume=0.342 peak=2370 ppm1=2.580 ppm2=3.774
assign ( resid 41 and name HG2#
)
( resid 38 and name HG1#
or resid 41 and name HG1#
) 3.4 0.7 0.7 volume=5.946 peak=2371 ppm1=1.459 ppm2=1.155
assign ( resid 192 and name HG1#
)
( resid 189 and name HA
) 4.6 0.9 0.9 volume=0.343 peak=2372 ppm1=1.151 ppm2=4.705
assign ( resid 70 and name HG2#
)
( resid 69 and name HA
) 5.2 1.0 1.0 volume=0.162 peak=2373 ppm1=1.152 ppm2=5.112
assign ( resid 41 and name HG2#
)
( resid 19 and name HA
) 5.1 1.0 1.0 volume=0.188 peak=2374 ppm1=1.462 ppm2=4.860
assign ( resid 41 and name HG2#
)
( resid 22 and name HB2
) 4.2 0.8 0.8 volume=0.554 peak=2375 ppm1=1.461 ppm2=3.344
assign ( resid 41 and name HG2#
)
( resid 23 and name HB#
) 3.9 0.8 0.8 volume=2.702 peak=2376 ppm1=1.461 ppm2=1.696
assign ( resid 41 and name HG2#
)
( resid 40 and name HD2#
) 5.8 1.2 1.2 volume=0.243 peak=2377 ppm1=1.465 ppm2=0.493
assign ( resid 47 and name HB#
)
( resid 51 and name HB3
) 5.2 1.0 1.0 volume=0.161 peak=2378 ppm1=1.980 ppm2=2.915
assign ( resid 47 and name HA
or resid 180 and name HA
)
( resid 46 and name HB
or resid 46 and name HG13
or resid 180 and name HB3
) 3.6 0.7 0.7 volume=0.456 peak=2379 ppm1=4.626 ppm2=2.065
assign ( resid 47 and name HB#
)
( resid 46 and name H
) 4.9 1.0 1.0 volume=0.235 peak=2380 ppm1=1.981 ppm2=8.224
assign ( resid 47 and name HB#
)
( resid 51 and name H
) 5.4 1.1 1.1 volume=0.130 peak=2381 ppm1=1.976 ppm2=8.972
assign ( resid 47 and name HB#
)
( resid 75 and name HB3
or resid 201 and name HB3
) 4.7 0.9 0.9 volume=0.300 peak=2382 ppm1=1.979 ppm2=3.179
assign ( resid 105 and name HA
)
( resid 105 and name H
or resid 106 and name H
) 3.6 0.7 0.7 volume=0.483 peak=2383 ppm1=4.274 ppm2=8.227
assign ( resid 89 and name HA
)
( resid 98 and name HZ
) 4.3 0.9 0.9 volume=0.179 peak=2384 ppm1=4.249 ppm2=7.256
assign ( resid 137 and name HA
)
( resid 138 and name HA
or resid 140 and name HB2
) 3.7 0.7 0.7 volume=0.407 peak=2385 ppm1=4.253 ppm2=3.370
assign ( resid 114 and name HB#
)
( resid 110 and name HA
) 4.7 0.9 0.9 volume=0.283 peak=2386 ppm1=1.423 ppm2=4.288
assign ( resid 114 and name HB#
)
( resid 113 and name HB3
or resid 113 and name HB2
) 4.6 0.9 0.9 volume=0.326 peak=2387 ppm1=1.420 ppm2=3.365
assign ( resid 111 and name HB#
)
( resid 129 and name HE#
) 4.9 1.0 1.0 volume=0.675 peak=2388 ppm1=1.582 ppm2=2.039
assign ( resid 172 and name HB#
)
( resid 138 and name HG1#
) 5.8 1.2 1.2 volume=0.255 peak=2389 ppm1=1.948 ppm2=0.466
assign ( resid 172 and name HB#
)
( resid 171 and name H
) 4.5 0.9 0.9 volume=0.403 peak=2390 ppm1=1.949 ppm2=9.857
assign ( resid 232 and name HA
)
( resid 232 and name HG2#
) 3.5 0.7 0.7 volume=1.761 peak=2391 ppm1=4.493 ppm2=1.334
assign ( resid 232 and name HA
)
( resid 232 and name H
) 3.9 0.8 0.8 volume=0.293 peak=2392 ppm1=4.498 ppm2=8.101
assign ( resid 232 and name HB
)
( resid 233 and name H
) 4.1 0.8 0.8 volume=0.230 peak=2393 ppm1=4.435 ppm2=8.439
assign ( resid 234 and name HB
)
( resid 232 and name HG2#
or resid 234 and name HG2#
) 3.9 0.8 0.8 volume=0.878 peak=2394 ppm1=4.282 ppm2=1.362
assign ( resid 234 and name HB
)
( resid 234 and name HA
) 3.1 0.6 0.6 volume=1.312 peak=2395 ppm1=4.289 ppm2=4.726
assign ( resid 234 and name HB
)
( resid 234 and name H
) 3.8 0.8 0.8 volume=0.386 peak=2396 ppm1=4.290 ppm2=8.110
assign ( resid 145 and name HE#
)
( resid 88 and name H
) 4.0 0.8 0.8 volume=0.782 peak=2397 ppm1=2.139 ppm2=9.484
assign ( resid 1 and name HE#
)
( resid 2 and name H
) 5.5 1.1 1.1 volume=0.117 peak=2398 ppm1=2.276 ppm2=8.094
assign ( resid 100 and name HG2#
)
( resid 140 and name HE#
) 4.3 0.9 0.9 volume=0.956 peak=2399 ppm1=0.710 ppm2=6.885
assign ( resid 50 and name HB#
)
( resid 49 and name H
or resid 75 and name H
) 3.9 0.8 0.8 volume=0.920 peak=2400 ppm1=1.450 ppm2=7.711
assign ( resid 63 and name HG2#
or resid 68 and name HG2#
or resid 142 and name HG1#
)
( resid 63 and name H
or resid 142 and name H
) 3.2 0.6 0.6 volume=3.012 peak=2401 ppm1=1.028 ppm2=8.643
assign ( resid 23 and name HB#
or resid 125 and name HB#
)
( resid 20 and name HB3
) 3.6 0.7 0.7 volume=1.528 peak=2402 ppm1=1.703 ppm2=2.031
assign ( resid 17 and name HG2#
)
( resid 17 and name HB
) 2.8 0.6 0.6 volume=6.974 peak=2403 ppm1=1.013 ppm2=2.360
assign ( resid 4 and name HD1#
or resid 141 and name HD2#
)
( resid 137 and name HD1#
or resid 137 and name HD2#
or resid 141 and name HB3
) 3.5 0.7 0.7 volume=2.912 peak=2404 ppm1=0.669 ppm2=1.231
assign ( resid 1 and name HE#
)
( resid 3 and name HA3
) 5.2 1.0 1.0 volume=0.160 peak=2405 ppm1=2.278 ppm2=4.334
assign ( resid 1 and name HE#
)
( resid 3 and name HA2
or resid 191 and name HB
) 4.9 1.0 1.0 volume=0.223 peak=2406 ppm1=2.278 ppm2=4.096
assign ( resid 15 and name HE#
)
( resid 206 and name H
) 5.1 1.0 1.0 volume=0.184 peak=2407 ppm1=2.193 ppm2=7.831
assign ( resid 15 and name HE#
)
( resid 44 and name HA
or resid 47 and name HA
) 5.2 1.0 1.0 volume=0.165 peak=2408 ppm1=2.198 ppm2=4.661
assign ( resid 15 and name HE#
)
( resid 15 and name HA
) 4.9 1.0 1.0 volume=0.226 peak=2409 ppm1=2.197 ppm2=4.452
assign ( resid 50 and name HA
)
( resid 53 and name H
) 4.6 0.9 0.9 volume=0.108 peak=2410 ppm1=3.794 ppm2=8.391
assign ( resid 109 and name HE#
)
( resid 109 and name HA
) 4.9 1.0 1.0 volume=0.240 peak=2411 ppm1=1.456 ppm2=4.571
assign ( resid 50 and name HA
)
( resid 53 and name HB
) 4.1 0.8 0.8 volume=0.225 peak=2412 ppm1=3.799 ppm2=2.303
assign ( resid 113 and name HA
)
( resid 116 and name HB#
) 4.9 1.0 1.0 volume=0.246 peak=2413 ppm1=3.780 ppm2=1.598
assign ( resid 50 and name HA
)
( resid 53 and name HG2#
) 4.1 0.8 0.8 volume=0.670 peak=2414 ppm1=3.799 ppm2=1.132
assign ( resid 50 and name HA
)
( resid 49 and name HG2#
or resid 53 and name HG1#
) 4.0 0.8 0.8 volume=0.817 peak=2415 ppm1=3.799 ppm2=0.972
assign ( resid 52 and name HA
)
( resid 12 and name HB#
) 4.5 0.9 0.9 volume=0.387 peak=2416 ppm1=3.596 ppm2=1.804
assign ( resid 52 and name HA
)
( resid 55 and name HB#
) 4.4 0.9 0.9 volume=0.456 peak=2417 ppm1=3.597 ppm2=0.188
assign ( resid 52 and name HA
or resid 114 and name HA
)
( resid 53 and name HG2#
or resid 118 and name HG1#
or resid 118 and name HG2#
) 4.7 0.9 0.9 volume=0.292 peak=2418 ppm1=3.611 ppm2=1.112
assign ( resid 52 and name HA
or resid 114 and name HA
)
( resid 53 and name HG1#
or resid 126 and name HD1#
or resid 126 and name HD2#
) 4.1 0.8 0.8 volume=0.677 peak=2419 ppm1=3.606 ppm2=0.983
assign ( resid 52 and name HB#
)
( resid 12 and name HB#
) 4.0 0.8 0.8 volume=2.397 peak=2420 ppm1=1.598 ppm2=1.782
assign ( resid 114 and name HA
)
( resid 117 and name H
) 4.5 0.9 0.9 volume=0.132 peak=2421 ppm1=3.608 ppm2=7.297
assign ( resid 52 and name HA
)
( resid 9 and name HZ3
) 4.4 0.9 0.9 volume=0.144 peak=2422 ppm1=3.599 ppm2=6.981
assign ( resid 52 and name HA
)
( resid 9 and name HE3
or resid 54 and name H
) 4.7 0.9 0.9 volume=0.101 peak=2423 ppm1=3.595 ppm2=7.689
assign ( resid 108 and name HG1#
)
( resid 109 and name HA
) 5.6 1.1 1.1 volume=0.100 peak=2424 ppm1=0.739 ppm2=4.556
assign ( resid 38 and name HG2#
)
( resid 39 and name HB
) 5.0 1.0 1.0 volume=0.208 peak=2425 ppm1=1.285 ppm2=4.711
assign ( resid 168 and name HG1#
)
( resid 164 and name HD2
) 4.4 0.9 0.9 volume=0.459 peak=2426 ppm1=1.059 ppm2=3.231
assign ( resid 84 and name HB
)
( resid 81 and name HA
) 3.9 0.8 0.8 volume=0.308 peak=2427 ppm1=2.348 ppm2=4.487
assign ( resid 169 and name HB
)
( resid 169 and name HA
) 3.4 0.7 0.7 volume=0.667 peak=2428 ppm1=2.237 ppm2=3.790
assign ( resid 194 and name HB
)
( resid 4 and name HA
or resid 191 and name HA
) 4.6 0.9 0.9 volume=0.107 peak=2429 ppm1=1.875 ppm2=3.761
assign ( resid 161 and name HB
)
( resid 161 and name HA
) 4.1 0.8 0.8 volume=0.227 peak=2430 ppm1=2.284 ppm2=3.229
assign ( resid 225 and name HB3
)
( resid 225 and name HA
) 2.9 0.6 0.6 volume=1.667 peak=2431 ppm1=2.246 ppm2=4.516
assign ( resid 198 and name HB
)
( resid 199 and name HB3
) 4.1 0.8 0.8 volume=0.226 peak=2432 ppm1=2.332 ppm2=3.384
assign ( resid 136 and name HA3
)
( resid 137 and name HB2
) 4.4 0.9 0.9 volume=0.139 peak=2433 ppm1=3.663 ppm2=1.557
assign ( resid 136 and name HA3
)
( resid 135 and name HB
) 4.8 1.0 1.0 volume=0.093 peak=2434 ppm1=3.691 ppm2=2.335
assign ( resid 14 and name HA2
or resid 14 and name HA3
or resid 42 and name HA2
)
( resid 17 and name HG1#
or resid 38 and name HG1#
or resid 41 and name HG1#
) 4.5 0.9 0.9 volume=0.411 peak=2435 ppm1=3.686 ppm2=1.174
assign ( resid 54 and name HE#
)
( resid 51 and name H
) 4.8 1.0 1.0 volume=0.267 peak=2436 ppm1=1.264 ppm2=8.955
assign ( resid 54 and name HE#
)
( resid 51 and name HB2
) 5.2 1.0 1.0 volume=0.169 peak=2437 ppm1=1.269 ppm2=3.452
assign ( resid 55 and name HB#
)
( resid 9 and name HE1
) 4.4 0.9 0.9 volume=0.432 peak=2438 ppm1=0.187 ppm2=10.341
assign ( resid 55 and name HB#
)
( resid 56 and name HG
) 4.9 1.0 1.0 volume=0.240 peak=2439 ppm1=0.189 ppm2=2.131
assign ( resid 55 and name HB#
)
( resid 51 and name HB3
) 4.8 1.0 1.0 volume=0.269 peak=2440 ppm1=0.190 ppm2=2.933
assign ( resid 55 and name HB#
)
( resid 9 and name HB2
) 5.7 1.1 1.1 volume=0.091 peak=2441 ppm1=0.188 ppm2=3.384
assign ( resid 55 and name HB#
)
( resid 8 and name HA
or resid 9 and name HA
) 4.5 0.9 0.9 volume=0.398 peak=2442 ppm1=0.188 ppm2=4.909
assign ( resid 55 and name HB#
)
( resid 8 and name H
or resid 57 and name H
) 4.7 0.9 0.9 volume=0.300 peak=2443 ppm1=0.189 ppm2=8.201
assign ( resid 131 and name HA
)
( resid 134 and name HD#
) 5.3 1.1 1.1 volume=0.093 peak=2444 ppm1=4.009 ppm2=7.297
assign ( resid 216 and name HA
)
( resid 217 and name HA
or resid 219 and name HA
) 3.7 0.7 0.7 volume=0.410 peak=2445 ppm1=4.059 ppm2=4.256
assign ( resid 131 and name HA
)
( resid 134 and name HB3
or resid 134 and name HB2
) 3.9 0.8 0.8 volume=0.313 peak=2446 ppm1=4.004 ppm2=3.504
assign ( resid 133 and name HA
)
( resid 132 and name HB
) 4.7 0.9 0.9 volume=0.097 peak=2447 ppm1=4.079 ppm2=2.276
assign ( resid 111 and name HA
)
( resid 114 and name HB#
) 4.0 0.8 0.8 volume=0.818 peak=2448 ppm1=3.990 ppm2=1.414
assign ( resid 212 and name HA
)
( resid 163 and name HD2#
) 5.1 1.0 1.0 volume=0.188 peak=2449 ppm1=4.162 ppm2=0.508
assign ( resid 56 and name HG
)
( resid 55 and name HB#
) 5.3 1.1 1.1 volume=0.138 peak=2450 ppm1=2.165 ppm2=0.197
assign ( resid 110 and name HB2
)
( resid 109 and name H
) 4.1 0.8 0.8 volume=0.212 peak=2451 ppm1=1.980 ppm2=7.534
assign ( resid 56 and name HG
)
( resid 9 and name HH2
) 4.3 0.9 0.9 volume=0.168 peak=2452 ppm1=2.168 ppm2=7.092
assign ( resid 56 and name HA
)
( resid 58 and name H
) 4.4 0.9 0.9 volume=0.141 peak=2453 ppm1=4.405 ppm2=7.744
assign ( resid 56 and name HA
)
( resid 58 and name H
) 4.7 0.9 0.9 volume=0.105 peak=2454 ppm1=4.377 ppm2=7.762
assign ( resid 227 and name HA
)
( resid 228 and name H
) 3.3 0.7 0.7 volume=0.815 peak=2455 ppm1=4.496 ppm2=8.210
assign ( resid 56 and name HB3
or resid 213 and name HB2
)
( resid 58 and name H
or resid 212 and name H
) 4.6 0.9 0.9 volume=0.120 peak=2456 ppm1=1.838 ppm2=7.802
assign ( resid 166 and name HD1#
)
( resid 211 and name H
) 5.0 1.0 1.0 volume=0.196 peak=2457 ppm1=1.194 ppm2=8.474
assign ( resid 56 and name HD2#
)
( resid 53 and name H
or resid 55 and name H
) 3.9 0.8 0.8 volume=0.913 peak=2458 ppm1=1.053 ppm2=8.416
assign ( resid 4 and name HD2#
)
( resid 4 and name H
or resid 194 and name H
) 4.0 0.8 0.8 volume=0.771 peak=2459 ppm1=0.911 ppm2=8.156
assign ( resid 82 and name HD2#
)
( resid 43 and name H
) 4.0 0.8 0.8 volume=0.740 peak=2460 ppm1=1.090 ppm2=8.284
assign ( resid 227 and name HD1#
or resid 240 and name HD2#
)
( resid 228 and name H
or resid 239 and name H
) 4.2 0.8 0.8 volume=0.604 peak=2461 ppm1=1.041 ppm2=8.227
assign ( resid 56 and name HB3
)
( resid 53 and name HA
) 4.6 0.9 0.9 volume=0.116 peak=2462 ppm1=1.832 ppm2=3.664
assign ( resid 110 and name HB2
)
( resid 107 and name HA
) 3.8 0.8 0.8 volume=0.350 peak=2463 ppm1=1.969 ppm2=3.534
assign ( resid 217 and name HA
)
( resid 25 and name HB#
) 4.4 0.9 0.9 volume=0.451 peak=2464 ppm1=4.289 ppm2=1.903
assign ( resid 16 and name HB2
)
( resid 13 and name HG12
) 3.3 0.7 0.7 volume=0.881 peak=2465 ppm1=1.957 ppm2=1.399
assign ( resid 56 and name HB3
or resid 180 and name HB2
)
( resid 56 and name HD1#
or resid 185 and name HG2#
) 4.3 0.9 0.9 volume=0.485 peak=2466 ppm1=1.845 ppm2=1.295
assign ( resid 16 and name HB2
or resid 110 and name HB2
)
( resid 17 and name HG1#
or resid 107 and name HG2#
) 4.2 0.8 0.8 volume=0.557 peak=2467 ppm1=1.966 ppm2=1.156
assign ( resid 149 and name HA
)
( resid 151 and name H
or resid 152 and name H
) 4.2 0.8 0.8 volume=0.185 peak=2468 ppm1=3.984 ppm2=7.556
assign ( resid 45 and name HA2
)
( resid 45 and name H
) 4.2 0.8 0.8 volume=0.209 peak=2469 ppm1=4.003 ppm2=9.057
assign ( resid 45 and name HA2
)
( resid 48 and name H
) 4.7 0.9 0.9 volume=0.100 peak=2470 ppm1=4.006 ppm2=8.632
assign ( resid 45 and name HA2
)
( resid 46 and name H
) 4.3 0.9 0.9 volume=0.167 peak=2471 ppm1=4.012 ppm2=8.259
assign ( resid 136 and name HA2
)
( resid 137 and name H
) 4.3 0.9 0.9 volume=0.177 peak=2472 ppm1=3.932 ppm2=8.513
assign ( resid 115 and name HA2
or resid 115 and name HA3
or resid 136 and name HA2
)
( resid 116 and name H
or resid 136 and name H
) 3.8 0.8 0.8 volume=0.382 peak=2473 ppm1=3.946 ppm2=7.984
assign ( resid 207 and name HA3
)
( resid 208 and name H
or resid 210 and name HD#
) 4.9 1.0 1.0 volume=0.100 peak=2474 ppm1=3.899 ppm2=7.517
assign ( resid 92 and name HA2
or resid 92 and name HA3
)
( resid 92 and name H
) 3.9 0.8 0.8 volume=0.323 peak=2475 ppm1=3.901 ppm2=7.740
assign ( resid 92 and name HA2
or resid 92 and name HA3
)
( resid 93 and name H
) 4.4 0.9 0.9 volume=0.157 peak=2476 ppm1=3.902 ppm2=7.426
assign ( resid 229 and name HA2
or resid 229 and name HA3
)
( resid 229 and name H
) 3.3 0.7 0.7 volume=0.895 peak=2477 ppm1=4.126 ppm2=8.345
assign ( resid 229 and name HA2
or resid 229 and name HA3
)
( resid 230 and name H
) 3.0 0.6 0.6 volume=1.444 peak=2478 ppm1=4.123 ppm2=7.936
assign ( resid 30 and name HA3
or resid 30 and name HA2
)
( resid 30 and name H
) 3.4 0.7 0.7 volume=0.653 peak=2479 ppm1=4.124 ppm2=8.871
assign ( resid 224 and name HA2
or resid 224 and name HA3
)
( resid 225 and name H
) 3.7 0.7 0.7 volume=0.438 peak=2480 ppm1=4.172 ppm2=8.417
assign ( resid 198 and name HG1#
)
( resid 8 and name HD#
or resid 51 and name HE#
) 5.3 1.1 1.1 volume=0.299 peak=2481 ppm1=0.893 ppm2=7.128
assign ( resid 135 and name HD1#
)
( resid 132 and name HG1#
) 3.8 0.8 0.8 volume=3.341 peak=2482 ppm1=1.005 ppm2=1.195
assign ( resid 19 and name HG2#
)
( resid 48 and name HB#
) 4.3 0.9 0.9 volume=1.584 peak=2483 ppm1=1.421 ppm2=1.705
assign ( resid 200 and name HD2#
or resid 219 and name HD1#
)
( resid 199 and name HB3
) 4.4 0.9 0.9 volume=0.461 peak=2484 ppm1=0.817 ppm2=3.384
assign ( resid 2 and name HG2#
)
( resid 2 and name HA
) 3.3 0.7 0.7 volume=2.436 peak=2485 ppm1=1.124 ppm2=4.322
assign ( resid 198 and name HG1#
)
( resid 197 and name HB
or resid 198 and name HB
or resid 202 and name HB3
) 3.1 0.6 0.6 volume=3.853 peak=2486 ppm1=0.902 ppm2=2.343
assign ( resid 141 and name HD2#
)
( resid 141 and name H
) 3.9 0.8 0.8 volume=0.898 peak=2487 ppm1=0.669 ppm2=8.454
assign ( resid 219 and name HD2#
)
( resid 219 and name HG
) 2.9 0.6 0.6 volume=5.201 peak=2488 ppm1=0.850 ppm2=1.867
assign ( resid 4 and name HD2#
)
( resid 4 and name HB3
) 3.3 0.7 0.7 volume=2.668 peak=2489 ppm1=0.918 ppm2=1.365
assign ( resid 142 and name HG2#
)
( resid 139 and name HD#
) 4.5 0.9 0.9 volume=0.828 peak=2490 ppm1=1.074 ppm2=7.002
assign ( resid 61 and name HG2#
)
( resid 62 and name HA
or resid 69 and name HA
) 4.3 0.9 0.9 volume=0.504 peak=2491 ppm1=1.031 ppm2=5.123
assign ( resid 63 and name HG1#
)
( resid 62 and name HA
) 5.5 1.1 1.1 volume=0.113 peak=2492 ppm1=0.819 ppm2=5.123
assign ( resid 61 and name HG2#
)
( resid 61 and name HA
) 4.0 0.8 0.8 volume=0.833 peak=2493 ppm1=1.028 ppm2=4.762
assign ( resid 142 and name HG2#
)
( resid 164 and name HD2
) 3.5 0.7 0.7 volume=1.811 peak=2494 ppm1=1.071 ppm2=3.234
assign ( resid 142 and name HG1#
)
( resid 164 and name HD2
) 3.9 0.8 0.8 volume=0.955 peak=2495 ppm1=1.032 ppm2=3.213
assign ( resid 198 and name HG1#
)
( resid 199 and name HB2
) 4.5 0.9 0.9 volume=0.376 peak=2496 ppm1=0.897 ppm2=3.068
assign ( resid 161 and name HG2#
)
( resid 160 and name HB3
) 4.1 0.8 0.8 volume=0.653 peak=2497 ppm1=1.092 ppm2=3.004
assign ( resid 61 and name HG2#
)
( resid 67 and name HG2#
) 4.7 0.9 0.9 volume=0.902 peak=2498 ppm1=1.027 ppm2=0.583
assign ( resid 101 and name HG1#
)
( resid 93 and name HD1#
or resid 93 and name HD2#
or resid 100 and name HG2#
) 3.5 0.7 0.7 volume=5.330 peak=2499 ppm1=1.051 ppm2=0.742
assign ( resid 53 and name HG2#
or resid 192 and name HG2#
)
( resid 49 and name HG2#
or resid 53 and name HG1#
or resid 58 and name HG2#
or resid 188 and name HD2#
or resid 196 and name HD2#
) 2.6 0.5 0.5 volume=33.384 peak=2500 ppm1=1.130 ppm2=0.965
assign ( resid 61 and name HG1#
)
( resid 60 and name HA
or resid 62 and name HA
or resid 69 and name HA
) 4.5 0.9 0.9 volume=0.385 peak=2501 ppm1=1.101 ppm2=5.148
assign ( resid 206 and name HG1#
)
( resid 210 and name HE#
) 4.0 0.8 0.8 volume=1.685 peak=2502 ppm1=1.017 ppm2=7.233
assign ( resid 219 and name HD1#
)
( resid 216 and name H
or resid 217 and name H
) 4.8 1.0 1.0 volume=0.252 peak=2503 ppm1=0.823 ppm2=8.250
assign ( resid 49 and name HG1#
)
( resid 52 and name H
) 4.3 0.9 0.9 volume=0.525 peak=2504 ppm1=1.196 ppm2=8.364
assign ( resid 158 and name HA
)
( resid 161 and name H
) 3.9 0.8 0.8 volume=0.296 peak=2505 ppm1=4.300 ppm2=8.616
assign ( resid 86 and name HA
)
( resid 86 and name HD#
) 4.6 0.9 0.9 volume=0.233 peak=2506 ppm1=3.927 ppm2=7.352
assign ( resid 237 and name HA
)
( resid 237 and name HB
) 3.3 0.7 0.7 volume=0.762 peak=2507 ppm1=4.236 ppm2=2.208
assign ( resid 237 and name HA
)
( resid 237 and name HB
) 3.6 0.7 0.7 volume=0.530 peak=2508 ppm1=4.198 ppm2=2.224
assign ( resid 237 and name HA
)
( resid 236 and name HB#
or resid 238 and name HB#
) 4.4 0.9 0.9 volume=0.448 peak=2509 ppm1=4.215 ppm2=1.518
assign ( resid 63 and name HB
)
( resid 64 and name H
) 4.5 0.9 0.9 volume=0.132 peak=2510 ppm1=1.871 ppm2=8.913
assign ( resid 63 and name HB
)
( resid 62 and name HA
) 4.6 0.9 0.9 volume=0.115 peak=2511 ppm1=1.874 ppm2=5.124
assign ( resid 63 and name HB
)
( resid 63 and name HA
or resid 64 and name HA
) 3.7 0.7 0.7 volume=0.421 peak=2512 ppm1=1.870 ppm2=4.064
assign ( resid 63 and name HB
)
( resid 66 and name HD3
or resid 66 and name HD2
) 4.7 0.9 0.9 volume=0.101 peak=2513 ppm1=1.867 ppm2=3.160
assign ( resid 63 and name HB
)
( resid 68 and name HB
) 4.3 0.9 0.9 volume=0.178 peak=2514 ppm1=1.876 ppm2=2.169
assign ( resid 63 and name HB
)
( resid 64 and name HB#
) 5.1 1.0 1.0 volume=0.193 peak=2515 ppm1=1.870 ppm2=1.653
assign ( resid 63 and name HG1#
)
( resid 117 and name HA
) 4.5 0.9 0.9 volume=0.410 peak=2516 ppm1=0.819 ppm2=4.646
assign ( resid 63 and name HG1#
)
( resid 66 and name HD3
or resid 66 and name HD2
) 5.0 1.0 1.0 volume=0.202 peak=2517 ppm1=0.819 ppm2=3.194
assign ( resid 67 and name HB
)
( resid 67 and name H
) 3.7 0.7 0.7 volume=0.440 peak=2518 ppm1=3.554 ppm2=8.115
assign ( resid 67 and name HB
)
( resid 66 and name HA
) 4.5 0.9 0.9 volume=0.136 peak=2519 ppm1=3.554 ppm2=4.964
assign ( resid 67 and name HA
)
( resid 67 and name HB
) 3.9 0.8 0.8 volume=0.318 peak=2520 ppm1=4.535 ppm2=3.588
assign ( resid 67 and name HA
)
( resid 61 and name HG2#
or resid 63 and name HG2#
or resid 68 and name HG1#
or resid 68 and name HG2#
) 4.5 0.9 0.9 volume=0.375 peak=2521 ppm1=4.541 ppm2=1.037
assign ( resid 177 and name HA
)
( resid 177 and name HG2#
) 4.2 0.8 0.8 volume=0.560 peak=2522 ppm1=3.827 ppm2=1.195
assign ( resid 86 and name HA
)
( resid 89 and name HD1#
) 4.6 0.9 0.9 volume=0.344 peak=2523 ppm1=3.924 ppm2=0.199
assign ( resid 86 and name HA
)
( resid 89 and name HD2#
) 5.4 1.1 1.1 volume=0.132 peak=2524 ppm1=3.921 ppm2=0.621
assign ( resid 86 and name HA
)
( resid 89 and name HB2
) 4.4 0.9 0.9 volume=0.143 peak=2525 ppm1=3.922 ppm2=1.409
assign ( resid 86 and name HA
)
( resid 39 and name HG2#
) 5.2 1.0 1.0 volume=0.161 peak=2526 ppm1=3.927 ppm2=1.743
assign ( resid 86 and name HA
)
( resid 89 and name HB3
) 4.9 1.0 1.0 volume=0.081 peak=2527 ppm1=3.930 ppm2=1.904
assign ( resid 158 and name HB3
or resid 158 and name HB2
)
( resid 159 and name HB3
) 3.4 0.7 0.7 volume=0.669 peak=2528 ppm1=4.128 ppm2=2.119
assign ( resid 86 and name HA
)
( resid 86 and name HB2
) 4.4 0.9 0.9 volume=0.152 peak=2529 ppm1=3.933 ppm2=3.493
assign ( resid 67 and name HA
or resid 210 and name HA
)
( resid 63 and name H
or resid 213 and name H
) 3.8 0.8 0.8 volume=0.358 peak=2530 ppm1=4.568 ppm2=8.619
assign ( resid 67 and name HA
)
( resid 63 and name H
) 3.9 0.8 0.8 volume=0.298 peak=2531 ppm1=4.522 ppm2=8.614
assign ( resid 67 and name HA
)
( resid 63 and name H
) 4.0 0.8 0.8 volume=0.273 peak=2532 ppm1=4.494 ppm2=8.628
assign ( resid 95 and name HA
)
( resid 95 and name H
) 4.4 0.9 0.9 volume=0.143 peak=2533 ppm1=4.432 ppm2=8.696
assign ( resid 176 and name HA
)
( resid 179 and name H
) 4.2 0.8 0.8 volume=0.186 peak=2534 ppm1=4.436 ppm2=8.116
assign ( resid 2 and name HA
)
( resid 6 and name H
) 4.8 1.0 1.0 volume=0.093 peak=2535 ppm1=4.352 ppm2=7.673
assign ( resid 176 and name HA
)
( resid 176 and name HD#
or resid 176 and name H
) 4.1 0.8 0.8 volume=0.310 peak=2536 ppm1=4.397 ppm2=7.580
assign ( resid 210 and name HA
)
( resid 212 and name HB#
) 4.3 0.9 0.9 volume=0.501 peak=2537 ppm1=4.595 ppm2=1.436
assign ( resid 163 and name HD1#
)
( resid 160 and name HB2
or resid 208 and name HB2
) 5.0 1.0 1.0 volume=0.195 peak=2538 ppm1=0.272 ppm2=3.247
assign ( resid 68 and name HA
)
( resid 67 and name HG2#
) 5.7 1.1 1.1 volume=0.095 peak=2539 ppm1=4.028 ppm2=0.592
assign ( resid 68 and name HA
)
( resid 68 and name HB
) 4.1 0.8 0.8 volume=0.216 peak=2540 ppm1=4.052 ppm2=2.171
assign ( resid 208 and name HA
)
( resid 208 and name H
) 4.0 0.8 0.8 volume=0.278 peak=2541 ppm1=3.883 ppm2=7.498
assign ( resid 68 and name HA
)
( resid 69 and name H
) 3.7 0.7 0.7 volume=0.403 peak=2542 ppm1=4.039 ppm2=8.120
assign ( resid 68 and name HA
)
( resid 68 and name H
) 4.7 0.9 0.9 volume=0.104 peak=2543 ppm1=4.043 ppm2=9.282
assign ( resid 237 and name HB
)
( resid 238 and name H
) 4.5 0.9 0.9 volume=0.125 peak=2544 ppm1=2.220 ppm2=8.284
assign ( resid 237 and name HB
)
( resid 237 and name H
) 3.2 0.6 0.6 volume=1.022 peak=2545 ppm1=2.220 ppm2=8.003
assign ( resid 68 and name HB
)
( resid 67 and name HA
) 4.3 0.9 0.9 volume=0.162 peak=2546 ppm1=2.206 ppm2=4.529
assign ( resid 68 and name HB
)
( resid 116 and name HB#
) 4.0 0.8 0.8 volume=0.789 peak=2547 ppm1=2.197 ppm2=1.635
assign ( resid 68 and name HB
)
( resid 63 and name HG1#
) 4.4 0.9 0.9 volume=0.424 peak=2548 ppm1=2.201 ppm2=0.819
assign ( resid 70 and name HA
)
( resid 70 and name H
) 4.2 0.8 0.8 volume=0.207 peak=2549 ppm1=3.940 ppm2=8.738
assign ( resid 70 and name HA
)
( resid 74 and name H
or resid 113 and name HE#
) 4.0 0.8 0.8 volume=0.339 peak=2550 ppm1=3.938 ppm2=7.160
assign ( resid 70 and name HA
)
( resid 73 and name HD#
or resid 113 and name HD#
) 4.3 0.9 0.9 volume=0.362 peak=2551 ppm1=3.942 ppm2=7.072
assign ( resid 70 and name HB
)
( resid 70 and name HA
) 4.3 0.9 0.9 volume=0.179 peak=2552 ppm1=2.530 ppm2=3.957
assign ( resid 70 and name HA
)
( resid 70 and name HG2#
) 3.8 0.8 0.8 volume=0.997 peak=2553 ppm1=3.941 ppm2=1.153
assign ( resid 70 and name HA
)
( resid 70 and name HB
or resid 73 and name HB3
) 4.3 0.9 0.9 volume=0.168 peak=2554 ppm1=3.938 ppm2=2.519
assign ( resid 70 and name HA
or resid 103 and name HA
)
( resid 103 and name HB
or resid 106 and name HB
) 4.4 0.9 0.9 volume=0.152 peak=2555 ppm1=3.932 ppm2=4.494
assign ( resid 70 and name HB
)
( resid 70 and name H
) 4.4 0.9 0.9 volume=0.158 peak=2556 ppm1=2.538 ppm2=8.735
assign ( resid 70 and name HB
)
( resid 61 and name HG1#
or resid 70 and name HG2#
) 4.1 0.8 0.8 volume=0.718 peak=2557 ppm1=2.534 ppm2=1.140
assign ( resid 212 and name HB#
)
( resid 213 and name H
) 3.9 0.8 0.8 volume=0.903 peak=2558 ppm1=1.455 ppm2=8.630
assign ( resid 212 and name HB#
)
( resid 214 and name H
) 5.0 1.0 1.0 volume=0.215 peak=2559 ppm1=1.460 ppm2=8.438
assign ( resid 102 and name HG2#
)
( resid 102 and name HG13
) 3.4 0.7 0.7 volume=2.138 peak=2560 ppm1=1.018 ppm2=1.602
assign ( resid 111 and name HB#
)
( resid 129 and name HG2
) 4.6 0.9 0.9 volume=0.333 peak=2561 ppm1=1.578 ppm2=2.642
assign ( resid 1 and name HE#
)
( resid 4 and name HB3
) 4.2 0.8 0.8 volume=0.591 peak=2562 ppm1=2.278 ppm2=1.350
assign ( resid 212 and name HB#
)
( resid 163 and name HD1#
) 4.9 1.0 1.0 volume=0.679 peak=2563 ppm1=1.456 ppm2=0.278
assign ( resid 100 and name HB
)
( resid 99 and name H
) 4.6 0.9 0.9 volume=0.118 peak=2564 ppm1=1.980 ppm2=8.346
assign ( resid 77 and name HG12
)
( resid 78 and name H
) 4.9 1.0 1.0 volume=0.082 peak=2565 ppm1=1.088 ppm2=7.710
assign ( resid 46 and name HA
)
( resid 47 and name H
) 4.5 0.9 0.9 volume=0.132 peak=2566 ppm1=3.627 ppm2=6.891
assign ( resid 202 and name HD1#
)
( resid 14 and name H
) 4.9 1.0 1.0 volume=0.247 peak=2567 ppm1=0.869 ppm2=8.833
assign ( resid 93 and name HD1#
)
( resid 98 and name H
) 4.4 0.9 0.9 volume=0.446 peak=2568 ppm1=0.775 ppm2=8.634
assign ( resid 78 and name HB2
)
( resid 78 and name HA
) 4.7 0.9 0.9 volume=0.105 peak=2569 ppm1=1.474 ppm2=4.511
assign ( resid 78 and name HB3
)
( resid 78 and name HB2
) 4.6 0.9 0.9 volume=0.118 peak=2570 ppm1=2.313 ppm2=1.500
assign ( resid 78 and name HB3
)
( resid 78 and name HB2
) 4.7 0.9 0.9 volume=0.102 peak=2571 ppm1=2.345 ppm2=1.470
assign ( resid 170 and name HA
)
( resid 173 and name HG12
) 3.7 0.7 0.7 volume=0.397 peak=2572 ppm1=4.540 ppm2=1.422
assign ( resid 78 and name HB3
)
( resid 78 and name HG
) 4.5 0.9 0.9 volume=0.124 peak=2573 ppm1=2.321 ppm2=2.138
assign ( resid 170 and name HA
)
( resid 170 and name HB3
) 2.5 0.5 0.5 volume=4.359 peak=2574 ppm1=4.521 ppm2=2.438
assign ( resid 202 and name HD1#
)
( resid 201 and name HB2
or resid 206 and name HB
) 4.9 1.0 1.0 volume=0.246 peak=2575 ppm1=0.870 ppm2=2.648
assign ( resid 90 and name HG
)
( resid 36 and name HE#
) 5.0 1.0 1.0 volume=0.139 peak=2576 ppm1=2.102 ppm2=6.633
assign ( resid 56 and name HD2#
)
( resid 9 and name HH2
) 3.8 0.8 0.8 volume=1.021 peak=2577 ppm1=1.053 ppm2=7.082
assign ( resid 79 and name HG2#
)
( resid 79 and name H
) 4.6 0.9 0.9 volume=0.352 peak=2578 ppm1=1.716 ppm2=9.953
assign ( resid 79 and name HA
)
( resid 82 and name H
) 4.6 0.9 0.9 volume=0.119 peak=2579 ppm1=4.349 ppm2=6.927
assign ( resid 79 and name HA
)
( resid 82 and name H
) 4.6 0.9 0.9 volume=0.109 peak=2580 ppm1=4.382 ppm2=6.929
assign ( resid 79 and name HA
)
( resid 46 and name HG13
) 4.7 0.9 0.9 volume=0.098 peak=2581 ppm1=4.359 ppm2=2.034
assign ( resid 204 and name HA
)
( resid 204 and name HG2#
) 4.3 0.9 0.9 volume=0.492 peak=2582 ppm1=4.143 ppm2=1.819
assign ( resid 204 and name HA
)
( resid 166 and name HD1#
or resid 170 and name HD2#
) 4.3 0.9 0.9 volume=0.534 peak=2583 ppm1=4.144 ppm2=1.165
assign ( resid 79 and name HA
)
( resid 82 and name HD2#
) 4.4 0.9 0.9 volume=0.448 peak=2584 ppm1=4.366 ppm2=1.073
assign ( resid 218 and name HA
)
( resid 219 and name HD1#
or resid 219 and name HD2#
) 5.0 1.0 1.0 volume=0.216 peak=2585 ppm1=4.245 ppm2=0.822
assign ( resid 79 and name HB
)
( resid 82 and name HD1#
or resid 82 and name HD2#
) 4.9 1.0 1.0 volume=0.235 peak=2586 ppm1=4.223 ppm2=1.052
assign ( resid 79 and name HB
)
( resid 46 and name HD1#
) 5.1 1.0 1.0 volume=0.192 peak=2587 ppm1=4.220 ppm2=0.888
assign ( resid 39 and name HG2#
)
( resid 40 and name HD1#
) 5.6 1.1 1.1 volume=0.327 peak=2588 ppm1=1.759 ppm2=0.417
assign ( resid 39 and name HG2#
)
( resid 89 and name HD1#
) 6.4 1.3 1.3 volume=0.146 peak=2589 ppm1=1.757 ppm2=0.199
assign ( resid 24 and name HA
)
( resid 27 and name H
) 3.6 0.7 0.7 volume=0.478 peak=2590 ppm1=4.349 ppm2=7.330
assign ( resid 24 and name HA
)
( resid 24 and name H
or resid 25 and name H
) 3.3 0.7 0.7 volume=0.866 peak=2591 ppm1=4.349 ppm2=8.782
assign ( resid 222 and name HA
)
( resid 222 and name H
) 2.9 0.6 0.6 volume=1.780 peak=2592 ppm1=4.371 ppm2=8.110
assign ( resid 24 and name HA
)
( resid 24 and name HE3
) 3.5 0.7 0.7 volume=0.552 peak=2593 ppm1=4.352 ppm2=7.634
assign ( resid 80 and name HG2#
)
( resid 105 and name HD22
) 5.5 1.1 1.1 volume=0.111 peak=2594 ppm1=0.451 ppm2=5.911
assign ( resid 80 and name HG2#
)
( resid 77 and name HA
or resid 81 and name HD3
or resid 81 and name HD2
) 5.0 1.0 1.0 volume=0.209 peak=2595 ppm1=0.445 ppm2=3.687
assign ( resid 222 and name HA
)
( resid 222 and name HG2
) 3.0 0.6 0.6 volume=1.415 peak=2596 ppm1=4.371 ppm2=2.471
assign ( resid 222 and name HA
)
( resid 222 and name HG3
) 2.7 0.5 0.5 volume=2.522 peak=2597 ppm1=4.371 ppm2=2.349
assign ( resid 82 and name HA
)
( resid 86 and name H
) 4.5 0.9 0.9 volume=0.135 peak=2598 ppm1=4.443 ppm2=8.672
assign ( resid 15 and name HA
)
( resid 15 and name H
) 4.0 0.8 0.8 volume=0.249 peak=2599 ppm1=4.452 ppm2=8.476
assign ( resid 82 and name HA
)
( resid 85 and name H
) 4.4 0.9 0.9 volume=0.139 peak=2600 ppm1=4.444 ppm2=9.158
assign ( resid 187 and name HA
)
( resid 185 and name HB
) 4.7 0.9 0.9 volume=0.103 peak=2601 ppm1=4.449 ppm2=2.578
assign ( resid 87 and name HA
)
( resid 90 and name HG
) 4.1 0.8 0.8 volume=0.221 peak=2602 ppm1=4.428 ppm2=2.135
assign ( resid 15 and name HA
)
( resid 15 and name HE#
or resid 202 and name HG
) 4.4 0.9 0.9 volume=0.236 peak=2603 ppm1=4.448 ppm2=2.162
assign ( resid 15 and name HA
)
( resid 19 and name HG2#
or resid 206 and name HG2#
) 4.2 0.8 0.8 volume=0.557 peak=2604 ppm1=4.455 ppm2=1.407
assign ( resid 236 and name HA
or resid 238 and name HA
)
( resid 237 and name HG1#
or resid 237 and name HG2#
or resid 240 and name HD2#
) 4.6 0.9 0.9 volume=0.319 peak=2605 ppm1=4.463 ppm2=1.057
assign ( resid 16 and name HD2#
or resid 126 and name HD2#
or resid 159 and name HD1#
)
( resid 13 and name HG12
or resid 19 and name HG2#
or resid 114 and name HB#
or resid 212 and name HB#
or resid 218 and name HG2#
) 2.9 0.6 0.6 volume=12.768 peak=2606 ppm1=0.998 ppm2=1.427
assign ( resid 213 and name HD1#
)
( resid 210 and name H
) 4.6 0.9 0.9 volume=0.330 peak=2607 ppm1=1.097 ppm2=9.154
assign ( resid 213 and name HD1#
)
( resid 22 and name HA
) 4.2 0.8 0.8 volume=0.605 peak=2608 ppm1=1.098 ppm2=4.873
assign ( resid 213 and name HD2#
)
( resid 22 and name HA
) 4.5 0.9 0.9 volume=0.386 peak=2609 ppm1=1.100 ppm2=4.875
assign ( resid 187 and name HD2#
)
( resid 187 and name HA
) 3.3 0.7 0.7 volume=2.647 peak=2610 ppm1=1.097 ppm2=4.460
assign ( resid 187 and name HD2#
)
( resid 185 and name HB
) 4.0 0.8 0.8 volume=0.821 peak=2611 ppm1=1.098 ppm2=2.528
assign ( resid 90 and name HD1#
)
( resid 89 and name HB3
) 4.3 0.9 0.9 volume=0.541 peak=2612 ppm1=1.101 ppm2=1.876
assign ( resid 213 and name HD2#
)
( resid 212 and name HB#
) 3.6 0.7 0.7 volume=4.349 peak=2613 ppm1=1.089 ppm2=1.408
assign ( resid 213 and name HD1#
)
( resid 40 and name HD1#
) 4.7 0.9 0.9 volume=0.873 peak=2614 ppm1=1.097 ppm2=0.429
assign ( resid 83 and name HG2#
)
( resid 167 and name HG2#
) 5.0 1.0 1.0 volume=0.624 peak=2615 ppm1=0.860 ppm2=-0.159
assign ( resid 76 and name HA
)
( resid 80 and name HG2#
) 4.9 1.0 1.0 volume=0.244 peak=2616 ppm1=4.413 ppm2=0.450
assign ( resid 76 and name HA
)
( resid 76 and name H
) 4.7 0.9 0.9 volume=0.104 peak=2617 ppm1=4.430 ppm2=8.138
assign ( resid 76 and name HA
)
( resid 78 and name H
) 4.5 0.9 0.9 volume=0.138 peak=2618 ppm1=4.410 ppm2=7.663
assign ( resid 87 and name HA
)
( resid 86 and name HD#
) 5.1 1.0 1.0 volume=0.126 peak=2619 ppm1=4.409 ppm2=7.378
assign ( resid 76 and name HA
or resid 87 and name HA
)
( resid 76 and name HD1
or resid 86 and name HE#
or resid 160 and name HD#
) 4.1 0.8 0.8 volume=0.329 peak=2620 ppm1=4.418 ppm2=7.024
assign ( resid 76 and name HA
or resid 87 and name HA
)
( resid 75 and name HB2
or resid 86 and name HB3
or resid 90 and name HB3
) 4.2 0.8 0.8 volume=0.203 peak=2621 ppm1=4.412 ppm2=2.490
assign ( resid 165 and name HA
)
( resid 165 and name HB2
) 3.9 0.8 0.8 volume=0.293 peak=2622 ppm1=4.401 ppm2=2.719
assign ( resid 176 and name HA
)
( resid 179 and name HB2
) 3.9 0.8 0.8 volume=0.329 peak=2623 ppm1=4.393 ppm2=1.789
assign ( resid 98 and name HA
)
( resid 93 and name HD1#
or resid 93 and name HD2#
or resid 93 and name HB3
) 3.9 0.8 0.8 volume=0.567 peak=2624 ppm1=4.406 ppm2=0.761
assign ( resid 215 and name HA
)
( resid 219 and name HD1#
or resid 219 and name HD2#
) 5.1 1.0 1.0 volume=0.189 peak=2625 ppm1=4.412 ppm2=0.828
assign ( resid 87 and name HD1#
)
( resid 163 and name HD1#
) 5.4 1.1 1.1 volume=0.375 peak=2626 ppm1=0.990 ppm2=0.270
assign ( resid 170 and name HD1#
)
( resid 200 and name HD1#
) 4.7 0.9 0.9 volume=0.849 peak=2627 ppm1=1.061 ppm2=0.267
assign ( resid 35 and name HA
)
( resid 37 and name H
) 4.7 0.9 0.9 volume=0.106 peak=2628 ppm1=4.253 ppm2=7.362
assign ( resid 89 and name HB2
or resid 93 and name HB2
or resid 196 and name HB3
)
( resid 90 and name HD1#
or resid 101 and name HG1#
or resid 101 and name HG2#
or resid 197 and name HD1#
) 4.4 0.9 0.9 volume=0.425 peak=2629 ppm1=1.380 ppm2=1.078
assign ( resid 4 and name HB3
or resid 89 and name HB2
)
( resid 7 and name HB2
or resid 89 and name HB3
) 3.5 0.7 0.7 volume=0.582 peak=2630 ppm1=1.385 ppm2=1.872
assign ( resid 4 and name HB3
or resid 93 and name HB2
or resid 196 and name HB3
)
( resid 97 and name HG3
or resid 145 and name HG2
or resid 145 and name HG3
) 4.6 0.9 0.9 volume=0.113 peak=2631 ppm1=1.383 ppm2=2.531
assign ( resid 5 and name HG2#
)
( resid 8 and name HE#
) 5.0 1.0 1.0 volume=0.433 peak=2632 ppm1=1.908 ppm2=6.706
assign ( resid 89 and name HD1#
)
( resid 86 and name HB3
) 5.1 1.0 1.0 volume=0.173 peak=2633 ppm1=0.207 ppm2=2.459
assign ( resid 89 and name HD1#
)
( resid 36 and name HA
) 4.6 0.9 0.9 volume=0.354 peak=2634 ppm1=0.206 ppm2=4.096
assign ( resid 89 and name HD1#
)
( resid 85 and name HD#
) 5.1 1.0 1.0 volume=0.388 peak=2635 ppm1=0.205 ppm2=6.898
assign ( resid 89 and name HD1#
)
( resid 90 and name H
) 4.7 0.9 0.9 volume=0.292 peak=2636 ppm1=0.205 ppm2=7.826
assign ( resid 89 and name HD1#
)
( resid 98 and name HE#
) 5.7 1.1 1.1 volume=0.193 peak=2637 ppm1=0.207 ppm2=7.530
assign ( resid 137 and name HD1#
)
( resid 167 and name HG2#
) 6.0 1.2 1.2 volume=0.201 peak=2638 ppm1=1.276 ppm2=-0.167
assign ( resid 89 and name HG
)
( resid 89 and name HB3
) 3.7 0.7 0.7 volume=0.394 peak=2639 ppm1=1.258 ppm2=1.896
assign ( resid 162 and name HA
)
( resid 163 and name H
) 4.4 0.9 0.9 volume=0.155 peak=2640 ppm1=4.160 ppm2=8.195
assign ( resid 212 and name HA
)
( resid 216 and name H
) 4.3 0.9 0.9 volume=0.174 peak=2641 ppm1=4.146 ppm2=8.241
assign ( resid 90 and name HB2
)
( resid 160 and name HD#
) 5.2 1.0 1.0 volume=0.111 peak=2642 ppm1=1.647 ppm2=7.062
assign ( resid 159 and name HB2
)
( resid 90 and name HB3
) 4.3 0.9 0.9 volume=0.167 peak=2643 ppm1=1.667 ppm2=2.447
assign ( resid 110 and name HB3
or resid 137 and name HB2
)
( resid 111 and name HA
or resid 136 and name HA2
) 4.2 0.8 0.8 volume=0.203 peak=2644 ppm1=1.563 ppm2=3.968
assign ( resid 104 and name HB3
)
( resid 101 and name HA
) 4.4 0.9 0.9 volume=0.154 peak=2645 ppm1=1.669 ppm2=3.824
assign ( resid 104 and name HB3
)
( resid 101 and name HA
) 4.2 0.8 0.8 volume=0.193 peak=2646 ppm1=1.632 ppm2=3.824
assign ( resid 104 and name HB3
)
( resid 103 and name HG2#
or resid 137 and name HD1#
or resid 137 and name HD2#
) 4.4 0.9 0.9 volume=0.429 peak=2647 ppm1=1.633 ppm2=1.227
assign ( resid 104 and name HB3
)
( resid 104 and name HD1#
) 3.5 0.7 0.7 volume=1.661 peak=2648 ppm1=1.635 ppm2=1.015
assign ( resid 90 and name HB3
)
( resid 91 and name H
) 4.3 0.9 0.9 volume=0.159 peak=2649 ppm1=2.468 ppm2=8.220
assign ( resid 90 and name HD2#
)
( resid 163 and name HD2#
) 4.7 0.9 0.9 volume=0.946 peak=2650 ppm1=0.927 ppm2=0.501
assign ( resid 90 and name HD2#
)
( resid 89 and name HD1#
or resid 163 and name HD1#
) 5.5 1.1 1.1 volume=0.346 peak=2651 ppm1=0.927 ppm2=0.231
assign ( resid 90 and name HD1#
)
( resid 90 and name HD2#
or resid 156 and name HD1#
) 3.4 0.7 0.7 volume=6.320 peak=2652 ppm1=1.110 ppm2=0.937
assign ( resid 110 and name HB3
)
( resid 77 and name HG12
or resid 107 and name HG2#
) 3.6 0.7 0.7 volume=0.695 peak=2653 ppm1=1.562 ppm2=1.137
assign ( resid 137 and name HB3
)
( resid 137 and name HD1#
or resid 137 and name HD2#
) 4.6 0.9 0.9 volume=0.353 peak=2654 ppm1=2.409 ppm2=1.233
assign ( resid 90 and name HD2#
)
( resid 87 and name HD2#
or resid 90 and name HD1#
or resid 156 and name HG2#
) 3.2 0.6 0.6 volume=9.580 peak=2655 ppm1=0.928 ppm2=1.099
assign ( resid 90 and name HB3
)
( resid 90 and name HB2
or resid 159 and name HB2
) 3.6 0.7 0.7 volume=0.478 peak=2656 ppm1=2.446 ppm2=1.716
assign ( resid 137 and name HB3
)
( resid 108 and name HG2#
) 5.4 1.1 1.1 volume=0.133 peak=2657 ppm1=2.418 ppm2=1.489
assign ( resid 170 and name HD2#
)
( resid 204 and name H
) 4.8 1.0 1.0 volume=0.268 peak=2658 ppm1=1.151 ppm2=9.378
assign ( resid 91 and name HB#
)
( resid 88 and name H
) 5.0 1.0 1.0 volume=0.212 peak=2659 ppm1=1.210 ppm2=9.484
assign ( resid 91 and name HB#
)
( resid 89 and name H
) 5.3 1.1 1.1 volume=0.143 peak=2660 ppm1=1.209 ppm2=9.036
assign ( resid 91 and name HA
)
( resid 149 and name H
) 4.5 0.9 0.9 volume=0.131 peak=2661 ppm1=3.639 ppm2=7.961
assign ( resid 91 and name HA
)
( resid 149 and name HA
) 3.7 0.7 0.7 volume=0.392 peak=2662 ppm1=3.640 ppm2=3.981
assign ( resid 91 and name HA
)
( resid 93 and name HD1#
or resid 93 and name HD2#
) 5.7 1.1 1.1 volume=0.096 peak=2663 ppm1=3.631 ppm2=0.778
assign ( resid 91 and name HB#
)
( resid 93 and name H
) 4.4 0.9 0.9 volume=0.427 peak=2664 ppm1=1.211 ppm2=7.420
assign ( resid 93 and name HB3
)
( resid 88 and name HA2
or resid 88 and name HA3
) 4.7 0.9 0.9 volume=0.098 peak=2665 ppm1=0.798 ppm2=3.792
assign ( resid 93 and name HB3
)
( resid 145 and name HE#
) 5.1 1.0 1.0 volume=0.179 peak=2666 ppm1=0.803 ppm2=2.154
assign ( resid 93 and name HB3
)
( resid 93 and name HG
) 4.3 0.9 0.9 volume=0.168 peak=2667 ppm1=0.807 ppm2=1.827
assign ( resid 93 and name HB3
)
( resid 91 and name HB#
) 5.4 1.1 1.1 volume=0.130 peak=2668 ppm1=0.803 ppm2=1.207
assign ( resid 93 and name HB3
)
( resid 101 and name HG1#
or resid 101 and name HG2#
) 5.3 1.1 1.1 volume=0.145 peak=2669 ppm1=0.799 ppm2=1.047
assign ( resid 93 and name HB3
)
( resid 97 and name HG3
or resid 145 and name HG2
or resid 145 and name HG3
) 4.5 0.9 0.9 volume=0.127 peak=2670 ppm1=0.813 ppm2=2.518
assign ( resid 194 and name HG2#
)
( resid 69 and name HE#
) 4.8 1.0 1.0 volume=0.559 peak=2671 ppm1=0.799 ppm2=6.332
assign ( resid 200 and name HD2#
or resid 219 and name HD1#
)
( resid 36 and name HD#
or resid 86 and name HZ
or resid 199 and name HE#
) 4.7 0.9 0.9 volume=0.470 peak=2672 ppm1=0.813 ppm2=6.689
assign ( resid 93 and name HD2#
)
( resid 98 and name H
) 4.4 0.9 0.9 volume=0.467 peak=2673 ppm1=0.756 ppm2=8.635
assign ( resid 93 and name HD2#
)
( resid 88 and name H
) 4.9 1.0 1.0 volume=0.224 peak=2674 ppm1=0.754 ppm2=9.484
assign ( resid 93 and name HD2#
)
( resid 98 and name HA
) 4.0 0.8 0.8 volume=0.761 peak=2675 ppm1=0.757 ppm2=4.403
assign ( resid 93 and name HD2#
)
( resid 98 and name HB3
) 4.6 0.9 0.9 volume=0.319 peak=2676 ppm1=0.757 ppm2=3.358
assign ( resid 93 and name HD2#
)
( resid 98 and name HB2
) 4.8 1.0 1.0 volume=0.272 peak=2677 ppm1=0.758 ppm2=3.194
assign ( resid 93 and name HD2#
)
( resid 97 and name HG2
) 4.6 0.9 0.9 volume=0.359 peak=2678 ppm1=0.757 ppm2=2.673
assign ( resid 93 and name HD2#
)
( resid 84 and name HG2#
or resid 101 and name HG1#
or resid 101 and name HG2#
) 4.0 0.8 0.8 volume=2.283 peak=2679 ppm1=0.754 ppm2=1.086
assign ( resid 179 and name HD1#
)
( resid 178 and name HB3
or resid 178 and name HB2
) 4.9 1.0 1.0 volume=0.231 peak=2680 ppm1=0.787 ppm2=3.509
assign ( resid 93 and name HD1#
)
( resid 93 and name HB2
) 3.5 0.7 0.7 volume=1.707 peak=2681 ppm1=0.774 ppm2=1.390
assign ( resid 187 and name HG
)
( resid 180 and name HA
) 4.0 0.8 0.8 volume=0.251 peak=2682 ppm1=1.795 ppm2=4.622
assign ( resid 101 and name HA
)
( resid 137 and name HA
) 3.9 0.8 0.8 volume=0.305 peak=2683 ppm1=3.810 ppm2=4.288
assign ( resid 100 and name HG2#
)
( resid 140 and name HB2
) 5.3 1.1 1.1 volume=0.148 peak=2684 ppm1=0.709 ppm2=3.379
assign ( resid 100 and name HD1#
)
( resid 98 and name HA
) 4.9 1.0 1.0 volume=0.225 peak=2685 ppm1=1.075 ppm2=4.405
assign ( resid 100 and name HG13
)
( resid 96 and name HB3
) 4.5 0.9 0.9 volume=0.132 peak=2686 ppm1=1.151 ppm2=1.743
assign ( resid 100 and name HG13
)
( resid 96 and name HA
or resid 97 and name HA
) 4.5 0.9 0.9 volume=0.121 peak=2687 ppm1=1.137 ppm2=4.205
assign ( resid 100 and name HG2#
)
( resid 103 and name H
) 5.5 1.1 1.1 volume=0.111 peak=2688 ppm1=0.710 ppm2=8.123
assign ( resid 101 and name HA
)
( resid 102 and name H
) 4.5 0.9 0.9 volume=0.122 peak=2689 ppm1=3.810 ppm2=8.660
assign ( resid 187 and name HD2#
or resid 213 and name HD1#
)
( resid 22 and name HB3
or resid 210 and name HB3
) 3.9 0.8 0.8 volume=0.860 peak=2690 ppm1=1.097 ppm2=3.537
assign ( resid 104 and name HD2#
or resid 170 and name HD1#
)
( resid 104 and name HB3
or resid 133 and name HB#
or resid 137 and name HG
or resid 200 and name HB3
) 3.0 0.6 0.6 volume=5.768 peak=2691 ppm1=1.062 ppm2=1.655
assign ( resid 58 and name HB
or resid 101 and name HB
)
( resid 58 and name H
or resid 101 and name H
) 3.2 0.6 0.6 volume=1.078 peak=2692 ppm1=2.058 ppm2=7.778
assign ( resid 101 and name HG2#
or resid 169 and name HG1#
or resid 230 and name HG1#
)
( resid 170 and name H
or resid 230 and name H
) 3.5 0.7 0.7 volume=1.752 peak=2693 ppm1=1.087 ppm2=7.904
assign ( resid 4 and name HD2#
)
( resid 60 and name HH2
or resid 60 and name HZ3
) 3.6 0.7 0.7 volume=1.604 peak=2694 ppm1=0.908 ppm2=7.507
assign ( resid 202 and name HD2#
)
( resid 202 and name H
) 3.5 0.7 0.7 volume=1.725 peak=2695 ppm1=1.023 ppm2=8.449
assign ( resid 22 and name HD#
)
( resid 22 and name H
) 4.5 0.9 0.9 volume=0.264 peak=2696 ppm1=7.204 ppm2=8.739
assign ( resid 22 and name HD#
)
( resid 19 and name HA
or resid 22 and name HA
) 4.4 0.9 0.9 volume=0.294 peak=2697 ppm1=7.209 ppm2=4.871
assign ( resid 22 and name HA
)
( resid 22 and name H
or resid 24 and name H
or resid 25 and name H
) 3.9 0.8 0.8 volume=0.309 peak=2698 ppm1=4.880 ppm2=8.740
assign ( resid 22 and name HD#
)
( resid 18 and name HA2
or resid 18 and name HA3
or resid 22 and name HB3
) 4.6 0.9 0.9 volume=0.214 peak=2699 ppm1=7.204 ppm2=3.528
assign ( resid 69 and name HD#
)
( resid 69 and name HA
) 4.4 0.9 0.9 volume=0.290 peak=2700 ppm1=6.723 ppm2=5.069
assign ( resid 69 and name HD#
)
( resid 69 and name HE#
) 4.5 0.9 0.9 volume=0.521 peak=2701 ppm1=6.731 ppm2=6.326
assign ( resid 69 and name HA
)
( resid 69 and name HD#
) 4.8 1.0 1.0 volume=0.184 peak=2702 ppm1=5.090 ppm2=6.735
assign ( resid 69 and name HB3
)
( resid 8 and name HE#
or resid 69 and name HD#
) 5.0 1.0 1.0 volume=0.141 peak=2703 ppm1=3.211 ppm2=6.738
assign ( resid 69 and name HB2
)
( resid 8 and name HE#
or resid 69 and name HD#
) 5.0 1.0 1.0 volume=0.140 peak=2704 ppm1=2.769 ppm2=6.728
assign ( resid 69 and name HE#
)
( resid 8 and name HE#
or resid 69 and name HZ
or resid 69 and name HD#
) 3.9 0.8 0.8 volume=0.936 peak=2705 ppm1=6.332 ppm2=6.706
assign ( resid 86 and name HD#
)
( resid 86 and name HB2
) 4.7 0.9 0.9 volume=0.196 peak=2706 ppm1=7.363 ppm2=3.510
assign ( resid 86 and name HD#
)
( resid 86 and name H
or resid 87 and name H
) 4.8 1.0 1.0 volume=0.176 peak=2707 ppm1=7.358 ppm2=8.669
assign ( resid 86 and name HD#
)
( resid 36 and name HD#
or resid 86 and name HZ
) 4.5 0.9 0.9 volume=0.327 peak=2708 ppm1=7.358 ppm2=6.677
assign ( resid 86 and name HE#
)
( resid 37 and name H
or resid 86 and name HD#
) 4.0 0.8 0.8 volume=0.690 peak=2709 ppm1=7.004 ppm2=7.349
assign ( resid 98 and name HB2
)
( resid 98 and name H
or resid 102 and name H
) 3.7 0.7 0.7 volume=0.442 peak=2710 ppm1=3.183 ppm2=8.635
assign ( resid 98 and name HB3
)
( resid 98 and name H
or resid 102 and name H
) 3.4 0.7 0.7 volume=0.694 peak=2711 ppm1=3.374 ppm2=8.646
assign ( resid 98 and name HD#
)
( resid 98 and name H
) 4.2 0.8 0.8 volume=0.420 peak=2712 ppm1=7.311 ppm2=8.638
assign ( resid 98 and name HA
)
( resid 98 and name HD#
) 3.9 0.8 0.8 volume=0.614 peak=2713 ppm1=4.405 ppm2=7.309
assign ( resid 98 and name HB2
)
( resid 98 and name HD#
) 4.1 0.8 0.8 volume=0.476 peak=2714 ppm1=3.179 ppm2=7.323
assign ( resid 98 and name HB3
)
( resid 98 and name HD#
) 4.0 0.8 0.8 volume=0.496 peak=2715 ppm1=3.372 ppm2=7.330
assign ( resid 98 and name HE#
)
( resid 98 and name HA
) 4.3 0.9 0.9 volume=0.350 peak=2716 ppm1=7.535 ppm2=4.400
assign ( resid 98 and name HD#
)
( resid 95 and name HA
or resid 98 and name HA
) 3.5 0.7 0.7 volume=1.139 peak=2717 ppm1=7.311 ppm2=4.396
assign ( resid 98 and name HB2
)
( resid 95 and name HA
or resid 98 and name HA
) 3.5 0.7 0.7 volume=0.588 peak=2718 ppm1=3.183 ppm2=4.397
assign ( resid 98 and name HD#
)
( resid 85 and name HB3
or resid 98 and name HB3
) 3.9 0.8 0.8 volume=0.600 peak=2719 ppm1=7.311 ppm2=3.368
assign ( resid 98 and name HD#
)
( resid 94 and name HB3
or resid 98 and name HB2
) 4.0 0.8 0.8 volume=0.518 peak=2720 ppm1=7.310 ppm2=3.182
assign ( resid 98 and name HA
)
( resid 98 and name HB3
) 3.4 0.7 0.7 volume=0.657 peak=2721 ppm1=4.408 ppm2=3.362
assign ( resid 113 and name HD#
)
( resid 113 and name H
) 4.4 0.9 0.9 volume=0.283 peak=2722 ppm1=7.013 ppm2=8.134
assign ( resid 113 and name HA
)
( resid 113 and name H
) 4.1 0.8 0.8 volume=0.231 peak=2723 ppm1=3.782 ppm2=8.142
assign ( resid 113 and name HA
)
( resid 113 and name HE#
) 4.6 0.9 0.9 volume=0.224 peak=2724 ppm1=3.775 ppm2=7.172
assign ( resid 113 and name HA
)
( resid 73 and name HD#
or resid 113 and name HD#
) 3.9 0.8 0.8 volume=0.636 peak=2725 ppm1=3.780 ppm2=7.017
assign ( resid 113 and name HD#
)
( resid 113 and name HE#
) 3.0 0.6 0.6 volume=5.773 peak=2726 ppm1=7.013 ppm2=7.171
assign ( resid 113 and name HE#
)
( resid 73 and name HD#
or resid 113 and name HD#
) 3.0 0.6 0.6 volume=6.251 peak=2727 ppm1=7.174 ppm2=7.026
assign ( resid 113 and name HD#
)
( resid 113 and name HA
) 3.6 0.7 0.7 volume=0.911 peak=2728 ppm1=7.013 ppm2=3.778
assign ( resid 113 and name HE#
)
( resid 113 and name HA
) 4.5 0.9 0.9 volume=0.252 peak=2729 ppm1=7.172 ppm2=3.773
assign ( resid 127 and name HD#
)
( resid 127 and name H
) 4.4 0.9 0.9 volume=0.278 peak=2730 ppm1=6.459 ppm2=8.065
assign ( resid 127 and name HD#
)
( resid 128 and name H
) 4.9 1.0 1.0 volume=0.152 peak=2731 ppm1=6.458 ppm2=8.553
assign ( resid 127 and name HD#
)
( resid 127 and name HE#
) 4.2 0.8 0.8 volume=0.755 peak=2732 ppm1=6.458 ppm2=7.190
assign ( resid 127 and name HE#
)
( resid 127 and name HD#
or resid 178 and name HZ3
) 4.2 0.8 0.8 volume=0.486 peak=2733 ppm1=7.190 ppm2=6.462
assign ( resid 127 and name HA
)
( resid 127 and name HD#
) 4.5 0.9 0.9 volume=0.244 peak=2734 ppm1=3.530 ppm2=6.470
assign ( resid 127 and name HA
)
( resid 127 and name H
or resid 129 and name H
or resid 130 and name H
) 3.8 0.8 0.8 volume=0.331 peak=2735 ppm1=3.531 ppm2=8.061
assign ( resid 127 and name HD#
)
( resid 127 and name HA
or resid 128 and name HA3
or resid 178 and name HB3
or resid 178 and name HB2
) 4.3 0.9 0.9 volume=0.353 peak=2736 ppm1=6.459 ppm2=3.536
assign ( resid 127 and name HD#
)
( resid 124 and name HB2
or resid 127 and name HB3
) 4.9 1.0 1.0 volume=0.147 peak=2737 ppm1=6.461 ppm2=3.179
assign ( resid 127 and name HD#
)
( resid 127 and name HB2
) 4.9 1.0 1.0 volume=0.163 peak=2738 ppm1=6.457 ppm2=2.558
assign ( resid 134 and name HA
)
( resid 134 and name H
or resid 137 and name H
) 4.1 0.8 0.8 volume=0.227 peak=2739 ppm1=4.380 ppm2=8.501
assign ( resid 176 and name HD#
)
( resid 176 and name HB3
) 4.2 0.8 0.8 volume=0.411 peak=2740 ppm1=7.632 ppm2=3.117
assign ( resid 176 and name HD#
)
( resid 176 and name HB2
) 4.2 0.8 0.8 volume=0.415 peak=2741 ppm1=7.631 ppm2=3.499
assign ( resid 176 and name HD#
)
( resid 176 and name HA
) 4.3 0.9 0.9 volume=0.320 peak=2742 ppm1=7.632 ppm2=4.392
assign ( resid 134 and name HB3
or resid 134 and name HB2
or resid 176 and name HB2
)
( resid 134 and name HA
or resid 176 and name HA
) 4.1 0.8 0.8 volume=0.228 peak=2743 ppm1=3.500 ppm2=4.392
assign ( resid 176 and name HB3
)
( resid 176 and name HA
) 3.9 0.8 0.8 volume=0.317 peak=2744 ppm1=3.124 ppm2=4.388
assign ( resid 176 and name HB2
)
( resid 176 and name H
) 3.6 0.7 0.7 volume=0.519 peak=2745 ppm1=3.509 ppm2=7.560
assign ( resid 176 and name HD#
)
( resid 176 and name HE#
) 3.1 0.6 0.6 volume=4.969 peak=2746 ppm1=7.631 ppm2=7.437
assign ( resid 176 and name HE#
)
( resid 176 and name HD#
) 3.2 0.6 0.6 volume=4.026 peak=2747 ppm1=7.432 ppm2=7.628
assign ( resid 176 and name HZ
)
( resid 176 and name HE#
) 3.0 0.6 0.6 volume=3.233 peak=2748 ppm1=7.280 ppm2=7.440
assign ( resid 210 and name HD#
)
( resid 207 and name H
or resid 210 and name H
) 4.1 0.8 0.8 volume=0.445 peak=2749 ppm1=7.557 ppm2=9.156
assign ( resid 210 and name HB3
)
( resid 210 and name H
) 3.7 0.7 0.7 volume=0.420 peak=2750 ppm1=3.526 ppm2=9.155
assign ( resid 210 and name HB2
)
( resid 210 and name H
) 3.6 0.7 0.7 volume=0.527 peak=2751 ppm1=3.413 ppm2=9.159
assign ( resid 210 and name HD#
)
( resid 210 and name HA
) 4.1 0.8 0.8 volume=0.425 peak=2752 ppm1=7.555 ppm2=4.602
assign ( resid 210 and name HD#
)
( resid 206 and name HA
) 4.2 0.8 0.8 volume=0.369 peak=2753 ppm1=7.554 ppm2=4.210
assign ( resid 210 and name HD#
)
( resid 18 and name HA2
or resid 18 and name HA3
or resid 207 and name HA2
or resid 210 and name HB3
) 3.9 0.8 0.8 volume=0.614 peak=2754 ppm1=7.558 ppm2=3.527
assign ( resid 210 and name HD#
)
( resid 210 and name HB2
) 3.9 0.8 0.8 volume=0.576 peak=2755 ppm1=7.556 ppm2=3.407
assign ( resid 210 and name HD#
)
( resid 210 and name HE#
) 2.6 0.5 0.5 volume=15.494 peak=2756 ppm1=7.558 ppm2=7.244
assign ( resid 210 and name HE#
)
( resid 210 and name HD#
) 2.6 0.5 0.5 volume=13.856 peak=2757 ppm1=7.241 ppm2=7.556
assign ( resid 210 and name HE#
)
( resid 18 and name HA2
or resid 18 and name HA3
or resid 210 and name HB3
) 4.2 0.8 0.8 volume=0.368 peak=2758 ppm1=7.240 ppm2=3.534
assign ( resid 210 and name HZ
)
( resid 210 and name HD#
) 3.9 0.8 0.8 volume=0.620 peak=2759 ppm1=7.087 ppm2=7.548
assign ( resid 210 and name HE#
)
( resid 210 and name HZ
) 2.9 0.6 0.6 volume=3.612 peak=2760 ppm1=7.241 ppm2=7.068
assign ( resid 210 and name HD#
)
( resid 210 and name HZ
) 3.6 0.7 0.7 volume=0.923 peak=2761 ppm1=7.558 ppm2=7.071
assign ( resid 210 and name HZ
)
( resid 210 and name HE#
) 2.9 0.6 0.6 volume=3.948 peak=2762 ppm1=7.086 ppm2=7.251
assign ( resid 210 and name HB3
)
( resid 210 and name HA
) 4.3 0.9 0.9 volume=0.166 peak=2763 ppm1=3.522 ppm2=4.602
assign ( resid 210 and name HB2
)
( resid 210 and name HA
) 4.2 0.8 0.8 volume=0.205 peak=2764 ppm1=3.415 ppm2=4.599
assign ( resid 22 and name HA
)
( resid 22 and name HD#
) 4.2 0.8 0.8 volume=0.403 peak=2765 ppm1=4.882 ppm2=7.201
assign ( resid 37 and name HD#
)
( resid 37 and name HB3
) 4.0 0.8 0.8 volume=0.499 peak=2766 ppm1=7.359 ppm2=3.261
assign ( resid 37 and name HD#
)
( resid 26 and name HA2
or resid 37 and name HB2
) 3.9 0.8 0.8 volume=0.618 peak=2767 ppm1=7.359 ppm2=3.153
assign ( resid 37 and name HD#
)
( resid 37 and name HE#
) 3.3 0.7 0.7 volume=3.106 peak=2768 ppm1=7.359 ppm2=6.866
assign ( resid 37 and name HE#
)
( resid 37 and name HD#
or resid 37 and name H
) 2.9 0.6 0.6 volume=4.630 peak=2769 ppm1=6.867 ppm2=7.359
assign ( resid 37 and name HB3
)
( resid 37 and name HD#
or resid 37 and name H
) 4.1 0.8 0.8 volume=0.282 peak=2770 ppm1=3.276 ppm2=7.358
assign ( resid 73 and name HD#
)
( resid 73 and name H
) 4.8 1.0 1.0 volume=0.169 peak=2771 ppm1=7.057 ppm2=6.360
assign ( resid 73 and name HD#
)
( resid 70 and name HA
or resid 73 and name HA
) 4.6 0.9 0.9 volume=0.229 peak=2772 ppm1=7.061 ppm2=3.947
assign ( resid 73 and name HD#
)
( resid 73 and name HB2
) 4.5 0.9 0.9 volume=0.274 peak=2773 ppm1=7.058 ppm2=3.539
assign ( resid 73 and name HD#
)
( resid 73 and name HB3
) 4.8 1.0 1.0 volume=0.175 peak=2774 ppm1=7.065 ppm2=2.473
assign ( resid 73 and name HE#
)
( resid 73 and name HD#
or resid 113 and name HD#
) 4.1 0.8 0.8 volume=0.857 peak=2775 ppm1=6.822 ppm2=7.050
assign ( resid 73 and name HD#
)
( resid 73 and name HE#
) 4.6 0.9 0.9 volume=0.448 peak=2776 ppm1=7.064 ppm2=6.826
assign ( resid 73 and name HB3
)
( resid 73 and name HD#
or resid 113 and name HD#
) 5.0 1.0 1.0 volume=0.143 peak=2777 ppm1=2.470 ppm2=7.054
assign ( resid 85 and name HD#
)
( resid 85 and name H
) 4.4 0.9 0.9 volume=0.288 peak=2778 ppm1=6.897 ppm2=9.135
assign ( resid 85 and name HD#
)
( resid 82 and name HA
) 4.5 0.9 0.9 volume=0.261 peak=2779 ppm1=6.896 ppm2=4.432
assign ( resid 85 and name HD#
)
( resid 85 and name HB2
) 4.3 0.9 0.9 volume=0.333 peak=2780 ppm1=6.896 ppm2=3.587
assign ( resid 85 and name HD#
)
( resid 85 and name HB3
or resid 98 and name HB3
) 4.3 0.9 0.9 volume=0.350 peak=2781 ppm1=6.897 ppm2=3.375
assign ( resid 85 and name HD#
)
( resid 85 and name HA
) 4.3 0.9 0.9 volume=0.325 peak=2782 ppm1=6.897 ppm2=4.638
assign ( resid 85 and name HD#
)
( resid 85 and name HE#
) 3.4 0.7 0.7 volume=2.603 peak=2783 ppm1=6.897 ppm2=6.462
assign ( resid 85 and name HE#
)
( resid 85 and name HD#
) 3.3 0.7 0.7 volume=3.522 peak=2784 ppm1=6.462 ppm2=6.897
assign ( resid 85 and name HD#
)
( resid 86 and name H
) 4.6 0.9 0.9 volume=0.236 peak=2785 ppm1=6.898 ppm2=8.693
assign ( resid 85 and name HE#
)
( resid 85 and name HA
) 4.6 0.9 0.9 volume=0.218 peak=2786 ppm1=6.461 ppm2=4.664
assign ( resid 85 and name HE#
)
( resid 85 and name HB3
or resid 98 and name HB3
) 4.5 0.9 0.9 volume=0.271 peak=2787 ppm1=6.463 ppm2=3.360
assign ( resid 124 and name HD#
)
( resid 123 and name H
or resid 124 and name H
) 4.2 0.8 0.8 volume=0.375 peak=2788 ppm1=7.401 ppm2=8.205
assign ( resid 124 and name HD#
)
( resid 124 and name HE#
) 3.5 0.7 0.7 volume=2.240 peak=2789 ppm1=7.397 ppm2=6.879
assign ( resid 124 and name HD#
)
( resid 124 and name HB2
or resid 127 and name HB3
) 4.0 0.8 0.8 volume=0.519 peak=2790 ppm1=7.401 ppm2=3.196
assign ( resid 124 and name HE#
or resid 140 and name HE#
)
( resid 97 and name HA
or resid 121 and name HA
or resid 184 and name HA2
) 3.6 0.7 0.7 volume=0.963 peak=2791 ppm1=6.884 ppm2=4.265
assign ( resid 124 and name HD#
)
( resid 121 and name HA
or resid 122 and name HA
or resid 184 and name HA2
) 4.0 0.8 0.8 volume=0.500 peak=2792 ppm1=7.401 ppm2=4.282
assign ( resid 139 and name HB2
)
( resid 139 and name H
) 3.9 0.8 0.8 volume=0.329 peak=2793 ppm1=3.126 ppm2=8.585
assign ( resid 139 and name HB3
)
( resid 139 and name H
) 4.0 0.8 0.8 volume=0.266 peak=2794 ppm1=3.604 ppm2=8.582
assign ( resid 139 and name HB2
)
( resid 139 and name HD#
) 4.3 0.9 0.9 volume=0.350 peak=2795 ppm1=3.123 ppm2=6.972
assign ( resid 139 and name HB3
)
( resid 139 and name HD#
) 4.5 0.9 0.9 volume=0.272 peak=2796 ppm1=3.608 ppm2=6.969
assign ( resid 139 and name HB2
)
( resid 139 and name HA
) 4.0 0.8 0.8 volume=0.280 peak=2797 ppm1=3.131 ppm2=4.111
assign ( resid 139 and name HB2
)
( resid 139 and name HB3
or resid 140 and name HA
) 3.8 0.8 0.8 volume=0.337 peak=2798 ppm1=3.122 ppm2=3.611
assign ( resid 139 and name HB3
)
( resid 139 and name HB2
) 4.0 0.8 0.8 volume=0.278 peak=2799 ppm1=3.605 ppm2=3.119
assign ( resid 139 and name HB3
)
( resid 139 and name HA
) 4.1 0.8 0.8 volume=0.243 peak=2800 ppm1=3.614 ppm2=4.098
assign ( resid 139 and name HD#
)
( resid 139 and name H
) 3.9 0.8 0.8 volume=0.583 peak=2801 ppm1=6.972 ppm2=8.587
assign ( resid 139 and name HD#
)
( resid 139 and name HA
) 3.7 0.7 0.7 volume=0.907 peak=2802 ppm1=6.977 ppm2=4.102
assign ( resid 139 and name HD#
)
( resid 139 and name HB3
or resid 140 and name HA
or resid 143 and name HA2
) 3.5 0.7 0.7 volume=1.122 peak=2803 ppm1=6.973 ppm2=3.612
assign ( resid 139 and name HD#
)
( resid 139 and name HB2
) 3.7 0.7 0.7 volume=0.796 peak=2804 ppm1=6.972 ppm2=3.123
assign ( resid 139 and name HE#
)
( resid 139 and name HB3
or resid 140 and name HA
or resid 143 and name HA2
) 3.8 0.8 0.8 volume=0.665 peak=2805 ppm1=6.677 ppm2=3.604
assign ( resid 139 and name HE#
or resid 199 and name HE#
)
( resid 139 and name HA
or resid 199 and name HA
) 3.8 0.8 0.8 volume=0.747 peak=2806 ppm1=6.688 ppm2=4.105
assign ( resid 140 and name HB3
)
( resid 140 and name HD#
) 4.2 0.8 0.8 volume=0.386 peak=2807 ppm1=2.966 ppm2=7.164
assign ( resid 140 and name HB2
)
( resid 140 and name HD#
) 4.3 0.9 0.9 volume=0.336 peak=2808 ppm1=3.311 ppm2=7.164
assign ( resid 140 and name HB3
)
( resid 140 and name H
) 3.7 0.7 0.7 volume=0.440 peak=2809 ppm1=2.966 ppm2=8.310
assign ( resid 140 and name HD#
)
( resid 140 and name H
) 4.3 0.9 0.9 volume=0.317 peak=2810 ppm1=7.167 ppm2=8.304
assign ( resid 140 and name HB2
)
( resid 140 and name H
) 3.7 0.7 0.7 volume=0.451 peak=2811 ppm1=3.311 ppm2=8.309
assign ( resid 140 and name HB3
)
( resid 139 and name HB3
or resid 140 and name HA
) 4.1 0.8 0.8 volume=0.220 peak=2812 ppm1=2.970 ppm2=3.643
assign ( resid 140 and name HB2
)
( resid 139 and name HB3
or resid 140 and name HA
) 4.0 0.8 0.8 volume=0.270 peak=2813 ppm1=3.313 ppm2=3.617
assign ( resid 140 and name HD#
)
( resid 140 and name HA
) 4.4 0.9 0.9 volume=0.308 peak=2814 ppm1=7.167 ppm2=3.629
assign ( resid 140 and name HD#
)
( resid 140 and name HB2
) 4.1 0.8 0.8 volume=0.441 peak=2815 ppm1=7.168 ppm2=3.316
assign ( resid 140 and name HD#
)
( resid 140 and name HB3
) 4.2 0.8 0.8 volume=0.372 peak=2816 ppm1=7.165 ppm2=2.964
assign ( resid 140 and name HD#
)
( resid 140 and name HE#
) 3.4 0.7 0.7 volume=2.842 peak=2817 ppm1=7.166 ppm2=6.888
assign ( resid 140 and name HE#
)
( resid 140 and name HD#
) 2.9 0.6 0.6 volume=7.277 peak=2818 ppm1=6.887 ppm2=7.169
assign ( resid 37 and name HE#
or resid 140 and name HE#
)
( resid 36 and name HB3
or resid 140 and name HB3
) 4.5 0.9 0.9 volume=0.273 peak=2819 ppm1=6.883 ppm2=2.972
assign ( resid 160 and name HA
)
( resid 160 and name HD#
) 5.0 1.0 1.0 volume=0.142 peak=2820 ppm1=3.864 ppm2=7.064
assign ( resid 199 and name HD#
)
( resid 199 and name H
) 4.1 0.8 0.8 volume=0.482 peak=2821 ppm1=6.999 ppm2=7.529
assign ( resid 199 and name HD#
)
( resid 199 and name HE#
) 2.4 0.5 0.5 volume=22.021 peak=2822 ppm1=7.000 ppm2=6.692
assign ( resid 199 and name HB2
)
( resid 199 and name H
) 3.5 0.7 0.7 volume=0.556 peak=2823 ppm1=3.069 ppm2=7.515
assign ( resid 199 and name HD#
)
( resid 199 and name HB3
) 3.6 0.7 0.7 volume=1.036 peak=2824 ppm1=7.000 ppm2=3.385
assign ( resid 139 and name HE#
or resid 199 and name HE#
)
( resid 143 and name HA3
or resid 199 and name HB3
) 3.9 0.8 0.8 volume=0.569 peak=2825 ppm1=6.689 ppm2=3.380
assign ( resid 199 and name HB2
)
( resid 199 and name HD#
) 4.4 0.9 0.9 volume=0.297 peak=2826 ppm1=3.063 ppm2=6.997
assign ( resid 199 and name HB3
)
( resid 199 and name HD#
) 4.5 0.9 0.9 volume=0.243 peak=2827 ppm1=3.402 ppm2=6.994
assign ( resid 199 and name HB3
or resid 210 and name HB2
)
( resid 199 and name H
or resid 210 and name HD#
) 3.6 0.7 0.7 volume=0.672 peak=2828 ppm1=3.398 ppm2=7.529
assign ( resid 9 and name HA
)
( resid 9 and name H
) 4.3 0.9 0.9 volume=0.177 peak=2829 ppm1=4.944 ppm2=8.794
assign ( resid 9 and name HB3
)
( resid 10 and name HD1#
or resid 13 and name HG2#
) 5.1 1.0 1.0 volume=0.174 peak=2830 ppm1=3.685 ppm2=0.974
assign ( resid 9 and name HB2
)
( resid 10 and name HD1#
or resid 13 and name HG2#
) 4.6 0.9 0.9 volume=0.334 peak=2831 ppm1=3.366 ppm2=0.970
assign ( resid 9 and name HA
)
( resid 9 and name HB3
) 4.1 0.8 0.8 volume=0.234 peak=2832 ppm1=4.927 ppm2=3.658
assign ( resid 9 and name HA
)
( resid 9 and name HB2
) 4.4 0.9 0.9 volume=0.156 peak=2833 ppm1=4.941 ppm2=3.339
assign ( resid 9 and name HD1
)
( resid 9 and name HE1
) 3.3 0.7 0.7 volume=0.880 peak=2834 ppm1=7.318 ppm2=10.311
assign ( resid 9 and name HD1
)
( resid 9 and name HB3
) 4.3 0.9 0.9 volume=0.176 peak=2835 ppm1=7.319 ppm2=3.670
assign ( resid 9 and name HD1
)
( resid 9 and name HB2
) 4.5 0.9 0.9 volume=0.126 peak=2836 ppm1=7.326 ppm2=3.364
assign ( resid 9 and name HZ2
)
( resid 9 and name HE1
) 3.4 0.7 0.7 volume=0.680 peak=2837 ppm1=7.471 ppm2=10.312
assign ( resid 9 and name HZ2
)
( resid 9 and name HH2
) 3.1 0.6 0.6 volume=1.175 peak=2838 ppm1=7.471 ppm2=7.087
assign ( resid 9 and name HH2
)
( resid 9 and name HZ2
) 3.2 0.6 0.6 volume=0.964 peak=2839 ppm1=7.087 ppm2=7.468
assign ( resid 9 and name HH2
)
( resid 9 and name HZ3
) 3.3 0.7 0.7 volume=0.779 peak=2840 ppm1=7.088 ppm2=6.950
assign ( resid 9 and name HZ3
)
( resid 9 and name HE3
) 3.8 0.8 0.8 volume=0.337 peak=2841 ppm1=6.947 ppm2=7.700
assign ( resid 9 and name HE3
)
( resid 9 and name HH2
) 4.2 0.8 0.8 volume=0.207 peak=2842 ppm1=7.710 ppm2=7.089
assign ( resid 9 and name HE3
)
( resid 9 and name HZ3
) 3.8 0.8 0.8 volume=0.371 peak=2843 ppm1=7.712 ppm2=6.942
assign ( resid 24 and name HE3
)
( resid 24 and name HA
) 3.6 0.7 0.7 volume=0.523 peak=2844 ppm1=7.632 ppm2=4.344
assign ( resid 9 and name HA
)
( resid 9 and name HE3
) 3.7 0.7 0.7 volume=0.387 peak=2845 ppm1=4.935 ppm2=7.694
assign ( resid 9 and name HA
)
( resid 55 and name HB#
) 5.0 1.0 1.0 volume=0.211 peak=2846 ppm1=4.927 ppm2=0.198
assign ( resid 9 and name HB2
)
( resid 9 and name HE3
) 3.9 0.8 0.8 volume=0.296 peak=2847 ppm1=3.373 ppm2=7.683
assign ( resid 24 and name HB3
)
( resid 24 and name H
or resid 25 and name H
) 3.6 0.7 0.7 volume=0.479 peak=2848 ppm1=3.640 ppm2=8.777
assign ( resid 9 and name HB2
)
( resid 9 and name H
) 4.3 0.9 0.9 volume=0.172 peak=2849 ppm1=3.357 ppm2=8.808
assign ( resid 223 and name HB3
)
( resid 223 and name HA
) 2.7 0.5 0.5 volume=2.822 peak=2850 ppm1=3.527 ppm2=4.900
assign ( resid 223 and name HB2
)
( resid 223 and name HA
) 2.7 0.5 0.5 volume=2.528 peak=2851 ppm1=3.358 ppm2=4.900
assign ( resid 9 and name HD1
)
( resid 6 and name HA
) 4.0 0.8 0.8 volume=0.251 peak=2852 ppm1=7.322 ppm2=4.282
assign ( resid 9 and name HD1
)
( resid 5 and name HG2#
) 4.8 1.0 1.0 volume=0.277 peak=2853 ppm1=7.318 ppm2=1.905
assign ( resid 9 and name HD1
)
( resid 9 and name H
) 4.5 0.9 0.9 volume=0.124 peak=2854 ppm1=7.323 ppm2=8.785
assign ( resid 9 and name HB3
)
( resid 9 and name HA
) 4.8 1.0 1.0 volume=0.089 peak=2855 ppm1=3.675 ppm2=4.936
assign ( resid 9 and name HB3
)
( resid 9 and name HD1
) 4.6 0.9 0.9 volume=0.107 peak=2856 ppm1=3.689 ppm2=7.305
assign ( resid 9 and name HB3
)
( resid 10 and name H
) 4.8 1.0 1.0 volume=0.088 peak=2857 ppm1=3.664 ppm2=8.351
assign ( resid 9 and name HA
)
( resid 10 and name H
) 4.8 1.0 1.0 volume=0.085 peak=2858 ppm1=4.951 ppm2=8.384
assign ( resid 8 and name HA
or resid 9 and name HA
)
( resid 10 and name H
) 4.6 0.9 0.9 volume=0.112 peak=2859 ppm1=4.916 ppm2=8.375
assign ( resid 24 and name HB3
)
( resid 24 and name HA
) 4.2 0.8 0.8 volume=0.206 peak=2860 ppm1=3.646 ppm2=4.324
assign ( resid 8 and name HA
)
( resid 7 and name HA
or resid 55 and name HA
) 4.5 0.9 0.9 volume=0.132 peak=2861 ppm1=4.909 ppm2=4.089
assign ( resid 9 and name HD1
)
( resid 55 and name HB#
) 5.4 1.1 1.1 volume=0.126 peak=2862 ppm1=7.312 ppm2=0.157
assign ( resid 9 and name HZ2
)
( resid 56 and name HA
) 4.6 0.9 0.9 volume=0.119 peak=2863 ppm1=7.468 ppm2=4.391
assign ( resid 9 and name HZ2
)
( resid 56 and name HG
) 4.0 0.8 0.8 volume=0.258 peak=2864 ppm1=7.471 ppm2=2.163
assign ( resid 9 and name HZ2
)
( resid 56 and name HD1#
) 3.7 0.7 0.7 volume=1.209 peak=2865 ppm1=7.471 ppm2=1.293
assign ( resid 9 and name HZ2
)
( resid 56 and name HD2#
) 4.5 0.9 0.9 volume=0.414 peak=2866 ppm1=7.473 ppm2=1.045
assign ( resid 9 and name HZ2
)
( resid 9 and name HZ3
) 4.0 0.8 0.8 volume=0.281 peak=2867 ppm1=7.470 ppm2=6.959
assign ( resid 60 and name HD1
)
( resid 60 and name HE1
) 3.9 0.8 0.8 volume=0.319 peak=2868 ppm1=7.142 ppm2=10.276
assign ( resid 60 and name HD1
)
( resid 60 and name H
) 4.0 0.8 0.8 volume=0.279 peak=2869 ppm1=7.143 ppm2=8.501
assign ( resid 60 and name HD1
)
( resid 54 and name HA
) 4.8 1.0 1.0 volume=0.092 peak=2870 ppm1=7.139 ppm2=4.372
assign ( resid 9 and name HH2
)
( resid 56 and name HD2#
) 4.5 0.9 0.9 volume=0.410 peak=2871 ppm1=7.088 ppm2=1.040
assign ( resid 9 and name HH2
)
( resid 56 and name HD1#
) 4.2 0.8 0.8 volume=0.616 peak=2872 ppm1=7.088 ppm2=1.293
assign ( resid 9 and name HH2
)
( resid 52 and name HB#
) 4.7 0.9 0.9 volume=0.300 peak=2873 ppm1=7.088 ppm2=1.595
assign ( resid 9 and name HH2
)
( resid 56 and name HB3
) 4.5 0.9 0.9 volume=0.137 peak=2874 ppm1=7.095 ppm2=1.816
assign ( resid 9 and name HH2
)
( resid 56 and name HG
) 4.3 0.9 0.9 volume=0.166 peak=2875 ppm1=7.086 ppm2=2.150
assign ( resid 9 and name HH2
)
( resid 52 and name HA
) 4.7 0.9 0.9 volume=0.101 peak=2876 ppm1=7.081 ppm2=3.594
assign ( resid 9 and name HH2
)
( resid 56 and name HA
) 4.7 0.9 0.9 volume=0.100 peak=2877 ppm1=7.096 ppm2=4.409
assign ( resid 9 and name HH2
)
( resid 9 and name HE3
) 4.5 0.9 0.9 volume=0.137 peak=2878 ppm1=7.088 ppm2=7.708
assign ( resid 9 and name HZ3
)
( resid 9 and name HA
) 4.6 0.9 0.9 volume=0.116 peak=2879 ppm1=6.945 ppm2=4.946
assign ( resid 9 and name HZ3
)
( resid 52 and name HA
) 4.8 1.0 1.0 volume=0.086 peak=2880 ppm1=6.945 ppm2=3.622
assign ( resid 9 and name HZ3
)
( resid 52 and name HB#
) 5.0 1.0 1.0 volume=0.204 peak=2881 ppm1=6.947 ppm2=1.598
assign ( resid 9 and name HZ3
)
( resid 12 and name HB#
) 5.1 1.0 1.0 volume=0.189 peak=2882 ppm1=6.947 ppm2=1.800
assign ( resid 9 and name HE3
)
( resid 9 and name HA
) 4.5 0.9 0.9 volume=0.135 peak=2883 ppm1=7.718 ppm2=4.929
assign ( resid 9 and name HE3
)
( resid 52 and name HA
) 4.8 1.0 1.0 volume=0.084 peak=2884 ppm1=7.707 ppm2=3.619
assign ( resid 9 and name HE3
)
( resid 12 and name HB#
) 4.8 1.0 1.0 volume=0.252 peak=2885 ppm1=7.712 ppm2=1.797
assign ( resid 9 and name HE3
)
( resid 52 and name HB#
) 5.2 1.0 1.0 volume=0.166 peak=2886 ppm1=7.713 ppm2=1.610
assign ( resid 223 and name HB3
)
( resid 223 and name HB2
) 1.9 0.1 0.4 volume=25.767 peak=2887 ppm1=3.526 ppm2=3.350
assign ( resid 60 and name HB2
)
( resid 60 and name H
) 4.1 0.8 0.8 volume=0.221 peak=2888 ppm1=3.639 ppm2=8.506
assign ( resid 60 and name HB2
)
( resid 60 and name HB3
) 4.0 0.8 0.8 volume=0.274 peak=2889 ppm1=3.652 ppm2=3.040
assign ( resid 60 and name HB2
)
( resid 67 and name HG2#
) 4.9 1.0 1.0 volume=0.221 peak=2890 ppm1=3.655 ppm2=0.602
assign ( resid 60 and name HB3
)
( resid 67 and name HG2#
) 5.1 1.0 1.0 volume=0.191 peak=2891 ppm1=3.042 ppm2=0.601
assign ( resid 60 and name HB3
)
( resid 60 and name HB2
) 4.0 0.8 0.8 volume=0.248 peak=2892 ppm1=3.036 ppm2=3.644
assign ( resid 60 and name HB2
)
( resid 60 and name HA
) 4.4 0.9 0.9 volume=0.140 peak=2893 ppm1=3.664 ppm2=5.193
assign ( resid 60 and name HB2
)
( resid 60 and name HA
) 4.5 0.9 0.9 volume=0.124 peak=2894 ppm1=3.631 ppm2=5.174
assign ( resid 60 and name HB3
)
( resid 60 and name HA
) 4.6 0.9 0.9 volume=0.116 peak=2895 ppm1=3.053 ppm2=5.179
assign ( resid 60 and name HB3
)
( resid 60 and name HA
) 4.7 0.9 0.9 volume=0.101 peak=2896 ppm1=3.019 ppm2=5.176
assign ( resid 60 and name HB3
)
( resid 60 and name HE3
) 4.4 0.9 0.9 volume=0.141 peak=2897 ppm1=3.045 ppm2=7.855
assign ( resid 60 and name HB3
)
( resid 60 and name H
) 4.3 0.9 0.9 volume=0.173 peak=2898 ppm1=3.046 ppm2=8.504
assign ( resid 60 and name HA
)
( resid 67 and name HG2#
) 5.0 1.0 1.0 volume=0.200 peak=2899 ppm1=5.178 ppm2=0.602
assign ( resid 60 and name HA
)
( resid 61 and name HG1#
or resid 61 and name HG2#
or resid 68 and name HG2#
) 4.9 1.0 1.0 volume=0.241 peak=2900 ppm1=5.183 ppm2=1.076
assign ( resid 60 and name HA
)
( resid 70 and name HG1#
) 5.6 1.1 1.1 volume=0.099 peak=2901 ppm1=5.190 ppm2=1.398
assign ( resid 60 and name HA
)
( resid 60 and name HB3
) 4.5 0.9 0.9 volume=0.134 peak=2902 ppm1=5.187 ppm2=3.055
assign ( resid 60 and name HA
)
( resid 60 and name HB2
) 4.5 0.9 0.9 volume=0.137 peak=2903 ppm1=5.177 ppm2=3.649
assign ( resid 60 and name HA
)
( resid 60 and name HD1
) 4.6 0.9 0.9 volume=0.116 peak=2904 ppm1=5.190 ppm2=7.150
assign ( resid 60 and name HA
)
( resid 60 and name HD1
) 4.6 0.9 0.9 volume=0.110 peak=2905 ppm1=5.171 ppm2=7.149
assign ( resid 60 and name HA
)
( resid 69 and name HD#
) 5.2 1.0 1.0 volume=0.109 peak=2906 ppm1=5.168 ppm2=6.710
assign ( resid 60 and name HA
)
( resid 60 and name H
) 4.2 0.8 0.8 volume=0.208 peak=2907 ppm1=5.177 ppm2=8.500
assign ( resid 60 and name HA
)
( resid 61 and name H
) 3.9 0.8 0.8 volume=0.325 peak=2908 ppm1=5.181 ppm2=9.157
assign ( resid 60 and name HD1
)
( resid 69 and name HD#
) 5.4 1.1 1.1 volume=0.091 peak=2909 ppm1=7.156 ppm2=6.732
assign ( resid 60 and name HD1
)
( resid 59 and name HA2
or resid 59 and name HA3
or resid 60 and name HB2
) 4.6 0.9 0.9 volume=0.108 peak=2910 ppm1=7.142 ppm2=3.703
assign ( resid 60 and name HD1
)
( resid 58 and name H
) 4.6 0.9 0.9 volume=0.114 peak=2911 ppm1=7.139 ppm2=7.739
assign ( resid 60 and name HZ2
)
( resid 8 and name HD#
) 4.9 1.0 1.0 volume=0.161 peak=2912 ppm1=7.739 ppm2=7.139
assign ( resid 60 and name HZ2
)
( resid 8 and name HE#
) 5.1 1.0 1.0 volume=0.118 peak=2913 ppm1=7.741 ppm2=6.703
assign ( resid 60 and name HZ2
)
( resid 60 and name HH2
or resid 60 and name HZ3
) 3.6 0.7 0.7 volume=0.460 peak=2914 ppm1=7.730 ppm2=7.531
assign ( resid 60 and name HZ2
)
( resid 60 and name HE1
) 4.6 0.9 0.9 volume=0.117 peak=2915 ppm1=7.728 ppm2=10.275
assign ( resid 60 and name HZ2
)
( resid 5 and name HG2#
) 4.6 0.9 0.9 volume=0.334 peak=2916 ppm1=7.731 ppm2=1.904
assign ( resid 60 and name HZ2
)
( resid 4 and name HD2#
) 5.5 1.1 1.1 volume=0.113 peak=2917 ppm1=7.732 ppm2=0.917
assign ( resid 60 and name HE3
)
( resid 60 and name HB3
) 4.3 0.9 0.9 volume=0.159 peak=2918 ppm1=7.862 ppm2=3.040
assign ( resid 60 and name HE3
)
( resid 60 and name HB2
) 4.4 0.9 0.9 volume=0.140 peak=2919 ppm1=7.864 ppm2=3.652
assign ( resid 60 and name HE3
)
( resid 60 and name HH2
or resid 60 and name HZ3
) 3.6 0.7 0.7 volume=0.457 peak=2920 ppm1=7.863 ppm2=7.486
assign ( resid 60 and name HE3
)
( resid 67 and name HG2#
) 4.8 1.0 1.0 volume=0.251 peak=2921 ppm1=7.863 ppm2=0.606
assign ( resid 60 and name HZ3
)
( resid 60 and name HE3
) 3.7 0.7 0.7 volume=0.428 peak=2922 ppm1=7.474 ppm2=7.860
assign ( resid 60 and name HZ3
)
( resid 4 and name HD2#
) 4.9 1.0 1.0 volume=0.237 peak=2923 ppm1=7.475 ppm2=0.910
assign ( resid 60 and name HH2
or resid 171 and name HD1
)
( resid 60 and name HZ2
or resid 172 and name H
) 3.7 0.7 0.7 volume=0.410 peak=2924 ppm1=7.535 ppm2=7.734
assign ( resid 171 and name HD1
)
( resid 167 and name HA
) 4.5 0.9 0.9 volume=0.122 peak=2925 ppm1=7.526 ppm2=3.790
assign ( resid 60 and name HH2
)
( resid 4 and name HD2#
) 4.7 0.9 0.9 volume=0.285 peak=2926 ppm1=7.533 ppm2=0.900
assign ( resid 171 and name HD1
)
( resid 170 and name HD1#
) 4.9 1.0 1.0 volume=0.221 peak=2927 ppm1=7.512 ppm2=1.091
assign ( resid 171 and name HD1
)
( resid 171 and name H
) 4.1 0.8 0.8 volume=0.213 peak=2928 ppm1=7.521 ppm2=9.855
assign ( resid 171 and name HD1
)
( resid 171 and name HE1
) 4.6 0.9 0.9 volume=0.107 peak=2929 ppm1=7.531 ppm2=10.212
assign ( resid 178 and name HD1
)
( resid 178 and name HE1
) 4.0 0.8 0.8 volume=0.277 peak=2930 ppm1=7.630 ppm2=9.553
assign ( resid 24 and name HE3
)
( resid 24 and name H
) 3.8 0.8 0.8 volume=0.373 peak=2931 ppm1=7.633 ppm2=8.778
assign ( resid 178 and name HD1
)
( resid 178 and name H
) 4.8 1.0 1.0 volume=0.091 peak=2932 ppm1=7.640 ppm2=8.178
assign ( resid 178 and name HD1
)
( resid 178 and name HB3
or resid 178 and name HB2
) 4.8 1.0 1.0 volume=0.093 peak=2933 ppm1=7.634 ppm2=3.513
assign ( resid 24 and name HB2
)
( resid 27 and name HG2
) 4.2 0.8 0.8 volume=0.202 peak=2934 ppm1=3.527 ppm2=1.431
assign ( resid 24 and name HB2
)
( resid 23 and name HB#
) 4.7 0.9 0.9 volume=0.290 peak=2935 ppm1=3.527 ppm2=1.699
assign ( resid 223 and name HB3
)
( resid 222 and name HG2
) 3.6 0.7 0.7 volume=0.490 peak=2936 ppm1=3.527 ppm2=2.457
assign ( resid 24 and name HA
)
( resid 28 and name HB2
) 4.4 0.9 0.9 volume=0.148 peak=2937 ppm1=4.353 ppm2=2.521
assign ( resid 178 and name HD1
)
( resid 116 and name HB#
) 4.7 0.9 0.9 volume=0.311 peak=2938 ppm1=7.631 ppm2=1.632
assign ( resid 24 and name HA
)
( resid 27 and name HB3
) 3.8 0.8 0.8 volume=0.356 peak=2939 ppm1=4.350 ppm2=1.886
assign ( resid 24 and name HA
)
( resid 23 and name HB#
) 4.3 0.9 0.9 volume=0.516 peak=2940 ppm1=4.349 ppm2=1.698
assign ( resid 24 and name HZ2
)
( resid 24 and name HE1
) 3.0 0.6 0.6 volume=1.525 peak=2941 ppm1=7.623 ppm2=10.353
assign ( resid 178 and name HZ2
)
( resid 116 and name H
) 4.3 0.9 0.9 volume=0.159 peak=2942 ppm1=7.256 ppm2=7.953
assign ( resid 178 and name HZ2
)
( resid 178 and name HH2
) 4.1 0.8 0.8 volume=0.233 peak=2943 ppm1=7.256 ppm2=6.597
assign ( resid 178 and name HZ2
)
( resid 116 and name HA
) 4.7 0.9 0.9 volume=0.100 peak=2944 ppm1=7.244 ppm2=4.112
assign ( resid 178 and name HZ2
)
( resid 115 and name HA2
or resid 115 and name HA3
) 4.4 0.9 0.9 volume=0.148 peak=2945 ppm1=7.257 ppm2=3.951
assign ( resid 178 and name HZ2
)
( resid 116 and name HB#
) 4.9 1.0 1.0 volume=0.222 peak=2946 ppm1=7.252 ppm2=1.603
assign ( resid 178 and name HZ2
)
( resid 178 and name HE1
) 4.4 0.9 0.9 volume=0.143 peak=2947 ppm1=7.253 ppm2=9.553
assign ( resid 24 and name HE3
)
( resid 28 and name HB3
) 4.6 0.9 0.9 volume=0.106 peak=2948 ppm1=7.639 ppm2=2.811
assign ( resid 24 and name HE3
)
( resid 28 and name HB2
) 4.6 0.9 0.9 volume=0.108 peak=2949 ppm1=7.639 ppm2=2.502
assign ( resid 24 and name HE3
)
( resid 27 and name HB3
) 4.0 0.8 0.8 volume=0.255 peak=2950 ppm1=7.635 ppm2=1.886
assign ( resid 24 and name HE3
)
( resid 24 and name HZ3
) 3.0 0.6 0.6 volume=1.581 peak=2951 ppm1=7.633 ppm2=7.168
assign ( resid 24 and name HE3
)
( resid 24 and name HH2
) 3.3 0.7 0.7 volume=0.878 peak=2952 ppm1=7.629 ppm2=7.323
assign ( resid 24 and name HE3
)
( resid 24 and name HB2
) 3.9 0.8 0.8 volume=0.316 peak=2953 ppm1=7.633 ppm2=3.539
assign ( resid 24 and name HD1
)
( resid 25 and name H
) 3.7 0.7 0.7 volume=0.412 peak=2954 ppm1=7.269 ppm2=8.772
assign ( resid 24 and name HA
)
( resid 25 and name HA
) 3.6 0.7 0.7 volume=0.461 peak=2955 ppm1=4.347 ppm2=4.090
assign ( resid 24 and name HA
)
( resid 24 and name HB2
) 3.4 0.7 0.7 volume=0.655 peak=2956 ppm1=4.349 ppm2=3.516
assign ( resid 24 and name HA
)
( resid 28 and name HB3
) 4.6 0.9 0.9 volume=0.114 peak=2957 ppm1=4.352 ppm2=2.845
assign ( resid 24 and name HB2
)
( resid 24 and name H
or resid 25 and name H
) 3.7 0.7 0.7 volume=0.443 peak=2958 ppm1=3.520 ppm2=8.781
assign ( resid 223 and name HB3
)
( resid 223 and name HD2
) 3.4 0.7 0.7 volume=0.757 peak=2959 ppm1=3.526 ppm2=7.426
assign ( resid 24 and name HB2
or resid 223 and name HB3
)
( resid 24 and name HA
or resid 220 and name HA
) 3.5 0.7 0.7 volume=0.610 peak=2960 ppm1=3.525 ppm2=4.319
assign ( resid 24 and name HB2
)
( resid 24 and name HE3
) 4.8 1.0 1.0 volume=0.093 peak=2961 ppm1=3.551 ppm2=7.653
assign ( resid 24 and name HD1
)
( resid 25 and name HB#
) 4.8 1.0 1.0 volume=0.272 peak=2962 ppm1=7.269 ppm2=1.889
assign ( resid 24 and name HD1
)
( resid 24 and name HB3
) 3.8 0.8 0.8 volume=0.333 peak=2963 ppm1=7.270 ppm2=3.622
assign ( resid 24 and name HD1
)
( resid 24 and name HA
) 4.0 0.8 0.8 volume=0.273 peak=2964 ppm1=7.270 ppm2=4.335
assign ( resid 24 and name HD1
)
( resid 25 and name HA
) 4.1 0.8 0.8 volume=0.212 peak=2965 ppm1=7.271 ppm2=4.074
assign ( resid 24 and name HD1
)
( resid 24 and name HE3
or resid 24 and name HZ2
) 4.1 0.8 0.8 volume=0.241 peak=2966 ppm1=7.269 ppm2=7.613
assign ( resid 178 and name HE3
)
( resid 127 and name HD#
or resid 178 and name HZ3
) 4.3 0.9 0.9 volume=0.227 peak=2967 ppm1=6.861 ppm2=6.512
assign ( resid 37 and name HE#
)
( resid 26 and name H
) 4.7 0.9 0.9 volume=0.201 peak=2968 ppm1=6.869 ppm2=7.803
assign ( resid 24 and name HZ3
)
( resid 24 and name HE3
or resid 24 and name HZ2
) 2.7 0.5 0.5 volume=2.547 peak=2969 ppm1=7.168 ppm2=7.629
assign ( resid 24 and name HZ3
)
( resid 24 and name HH2
) 2.5 0.5 0.5 volume=3.920 peak=2970 ppm1=7.168 ppm2=7.328
assign ( resid 24 and name HZ3
)
( resid 24 and name HA
) 4.5 0.9 0.9 volume=0.125 peak=2971 ppm1=7.172 ppm2=4.340
assign ( resid 24 and name HZ3
)
( resid 28 and name HB3
) 4.7 0.9 0.9 volume=0.098 peak=2972 ppm1=7.172 ppm2=2.810
assign ( resid 24 and name HZ3
)
( resid 28 and name HB2
) 4.4 0.9 0.9 volume=0.138 peak=2973 ppm1=7.167 ppm2=2.507
assign ( resid 24 and name HH2
)
( resid 24 and name HE1
) 3.9 0.8 0.8 volume=0.302 peak=2974 ppm1=7.324 ppm2=10.354
assign ( resid 37 and name HE#
)
( resid 26 and name HA2
or resid 37 and name HB2
) 4.2 0.8 0.8 volume=0.398 peak=2975 ppm1=6.869 ppm2=3.162
assign ( resid 124 and name HE#
or resid 140 and name HE#
)
( resid 123 and name HD3
or resid 123 and name HD2
or resid 124 and name HB3
or resid 140 and name HB2
) 4.1 0.8 0.8 volume=0.486 peak=2976 ppm1=6.884 ppm2=3.319
assign ( resid 37 and name HE#
or resid 140 and name HE#
)
( resid 33 and name HG3
or resid 33 and name HG2
or resid 97 and name HG3
or resid 145 and name HG2
or resid 145 and name HG3
) 3.3 0.7 0.7 volume=1.561 peak=2977 ppm1=6.874 ppm2=2.495
assign ( resid 140 and name HE#
)
( resid 145 and name HE#
) 4.7 0.9 0.9 volume=0.569 peak=2978 ppm1=6.884 ppm2=2.132
assign ( resid 37 and name HE#
)
( resid 25 and name HB#
) 3.9 0.8 0.8 volume=1.849 peak=2979 ppm1=6.869 ppm2=1.889
assign ( resid 37 and name HE#
)
( resid 29 and name HB#
) 3.8 0.8 0.8 volume=2.022 peak=2980 ppm1=6.870 ppm2=1.431
assign ( resid 37 and name HE#
or resid 124 and name HE#
or resid 140 and name HE#
)
( resid 216 and name HB#
) 4.2 0.8 0.8 volume=1.181 peak=2981 ppm1=6.884 ppm2=1.694
assign ( resid 73 and name HE#
)
( resid 116 and name HB#
) 5.0 1.0 1.0 volume=0.416 peak=2982 ppm1=6.822 ppm2=1.622
assign ( resid 37 and name HE#
or resid 140 and name HE#
)
( resid 100 and name HD1#
or resid 101 and name HG1#
or resid 101 and name HG2#
or resid 213 and name HD1#
or resid 213 and name HD2#
) 3.5 0.7 0.7 volume=3.263 peak=2983 ppm1=6.878 ppm2=1.078
assign ( resid 124 and name HE#
or resid 140 and name HE#
)
( resid 91 and name HB#
or resid 185 and name HG1#
) 4.2 0.8 0.8 volume=1.251 peak=2984 ppm1=6.884 ppm2=1.226
assign ( resid 124 and name HE#
or resid 140 and name HE#
)
( resid 93 and name HD1#
or resid 93 and name HD2#
or resid 100 and name HG2#
or resid 179 and name HD1#
) 3.8 0.8 0.8 volume=2.069 peak=2985 ppm1=6.886 ppm2=0.753
assign ( resid 37 and name HE#
)
( resid 40 and name HD2#
) 6.2 1.2 1.2 volume=0.116 peak=2986 ppm1=6.864 ppm2=0.511
assign ( resid 140 and name HE#
)
( resid 140 and name HA
) 4.6 0.9 0.9 volume=0.231 peak=2987 ppm1=6.886 ppm2=3.649
assign ( resid 73 and name HE#
)
( resid 70 and name HA
or resid 73 and name HA
) 5.0 1.0 1.0 volume=0.139 peak=2988 ppm1=6.821 ppm2=3.982
assign ( resid 24 and name HB2
)
( resid 25 and name HB#
) 5.4 1.1 1.1 volume=0.128 peak=2989 ppm1=3.529 ppm2=1.891
assign ( resid 24 and name HB3
)
( resid 25 and name HB#
) 5.7 1.1 1.1 volume=0.091 peak=2990 ppm1=3.643 ppm2=1.895
assign ( resid 24 and name HB3
)
( resid 23 and name HB#
) 5.4 1.1 1.1 volume=0.128 peak=2991 ppm1=3.643 ppm2=1.696
assign ( resid 24 and name HB3
)
( resid 20 and name HB2
) 4.8 1.0 1.0 volume=0.089 peak=2992 ppm1=3.663 ppm2=1.495
assign ( resid 24 and name HB2
)
( resid 25 and name HA
) 4.4 0.9 0.9 volume=0.154 peak=2993 ppm1=3.524 ppm2=4.102
assign ( resid 223 and name HB2
)
( resid 223 and name HD2
) 3.4 0.7 0.7 volume=0.744 peak=2994 ppm1=3.354 ppm2=7.430
assign ( resid 223 and name HB3
)
( resid 223 and name H
) 4.4 0.9 0.9 volume=0.150 peak=2995 ppm1=3.529 ppm2=8.285
assign ( resid 223 and name HB2
)
( resid 223 and name H
) 4.1 0.8 0.8 volume=0.235 peak=2996 ppm1=3.360 ppm2=8.286
assign ( resid 24 and name HH2
)
( resid 28 and name HB3
) 4.7 0.9 0.9 volume=0.096 peak=2997 ppm1=7.326 ppm2=2.811
assign ( resid 24 and name HH2
)
( resid 28 and name HB2
) 4.6 0.9 0.9 volume=0.112 peak=2998 ppm1=7.325 ppm2=2.499
assign ( resid 24 and name HH2
)
( resid 24 and name HE3
or resid 24 and name HZ2
) 2.5 0.5 0.5 volume=4.276 peak=2999 ppm1=7.324 ppm2=7.623
assign ( resid 24 and name HH2
)
( resid 24 and name HZ3
) 2.5 0.5 0.5 volume=4.253 peak=3000 ppm1=7.324 ppm2=7.160
assign ( resid 24 and name HD1
)
( resid 24 and name HE1
) 2.6 0.5 0.5 volume=3.428 peak=3001 ppm1=7.269 ppm2=10.354
assign ( resid 24 and name HZ2
)
( resid 24 and name HH2
) 2.5 0.5 0.5 volume=4.019 peak=3002 ppm1=7.623 ppm2=7.320
assign ( resid 24 and name HZ2
)
( resid 24 and name HZ3
) 3.3 0.7 0.7 volume=0.788 peak=3003 ppm1=7.623 ppm2=7.159
assign ( resid 24 and name HZ2
)
( resid 28 and name HB2
) 4.5 0.9 0.9 volume=0.122 peak=3004 ppm1=7.629 ppm2=2.500
assign ( resid 24 and name HB3
)
( resid 24 and name HD1
) 4.3 0.9 0.9 volume=0.161 peak=3005 ppm1=3.641 ppm2=7.265
assign ( resid 24 and name HZ2
)
( resid 28 and name HB3
) 4.9 1.0 1.0 volume=0.080 peak=3006 ppm1=7.619 ppm2=2.799
assign ( resid 24 and name HB2
)
( resid 24 and name HD1
) 4.8 1.0 1.0 volume=0.091 peak=3007 ppm1=3.527 ppm2=7.252
assign ( resid 24 and name HB2
)
( resid 24 and name HE3
) 4.7 0.9 0.9 volume=0.102 peak=3008 ppm1=3.517 ppm2=7.622
assign ( resid 24 and name HB3
)
( resid 24 and name HE3
) 4.9 1.0 1.0 volume=0.078 peak=3009 ppm1=3.639 ppm2=7.607
assign ( resid 210 and name HZ
)
( resid 21 and name H
) 4.4 0.9 0.9 volume=0.139 peak=3010 ppm1=7.085 ppm2=8.170
assign ( resid 73 and name HD#
)
( resid 72 and name HG3
or resid 72 and name HG2
) 4.6 0.9 0.9 volume=0.227 peak=3011 ppm1=7.059 ppm2=1.787
assign ( resid 73 and name HD#
)
( resid 116 and name HB#
) 5.8 1.2 1.2 volume=0.177 peak=3012 ppm1=7.068 ppm2=1.623
assign ( resid 73 and name HD#
)
( resid 70 and name HG1#
) 5.3 1.1 1.1 volume=0.295 peak=3013 ppm1=7.056 ppm2=1.410
assign ( resid 73 and name HD#
)
( resid 68 and name HG1#
or resid 68 and name HG2#
) 4.8 1.0 1.0 volume=0.552 peak=3014 ppm1=7.062 ppm2=1.044
assign ( resid 210 and name HZ
)
( resid 21 and name HB#
) 3.5 0.7 0.7 volume=1.611 peak=3015 ppm1=7.085 ppm2=1.513
assign ( resid 210 and name HZ
)
( resid 17 and name HG2#
or resid 206 and name HG1#
) 3.8 0.8 0.8 volume=1.120 peak=3016 ppm1=7.086 ppm2=1.005
assign ( resid 24 and name HE3
)
( resid 24 and name HH2
) 3.4 0.7 0.7 volume=0.682 peak=3017 ppm1=7.593 ppm2=7.304
assign ( resid 174 and name HD#
)
( resid 173 and name H
) 4.9 1.0 1.0 volume=0.160 peak=3018 ppm1=7.110 ppm2=7.850
assign ( resid 51 and name HE#
)
( resid 51 and name HD#
) 4.2 0.8 0.8 volume=0.774 peak=3019 ppm1=7.147 ppm2=7.582
assign ( resid 51 and name HE#
)
( resid 8 and name HE#
) 5.7 1.1 1.1 volume=0.130 peak=3020 ppm1=7.158 ppm2=6.701
assign ( resid 51 and name HE#
)
( resid 8 and name HA
) 5.4 1.1 1.1 volume=0.086 peak=3021 ppm1=7.144 ppm2=4.890
assign ( resid 51 and name HE#
)
( resid 198 and name HA
) 4.8 1.0 1.0 volume=0.172 peak=3022 ppm1=7.143 ppm2=4.175
assign ( resid 51 and name HE#
)
( resid 201 and name HB3
) 5.3 1.1 1.1 volume=0.096 peak=3023 ppm1=7.152 ppm2=3.196
assign ( resid 51 and name HE#
)
( resid 201 and name HB2
) 5.3 1.1 1.1 volume=0.100 peak=3024 ppm1=7.142 ppm2=2.623
assign ( resid 51 and name HE#
)
( resid 15 and name HE#
) 5.2 1.0 1.0 volume=0.327 peak=3025 ppm1=7.146 ppm2=2.191
assign ( resid 51 and name HE#
)
( resid 47 and name HB#
) 5.8 1.2 1.2 volume=0.170 peak=3026 ppm1=7.146 ppm2=1.977
assign ( resid 51 and name HE#
)
( resid 72 and name HG3
or resid 72 and name HG2
) 5.0 1.0 1.0 volume=0.140 peak=3027 ppm1=7.146 ppm2=1.779
assign ( resid 51 and name HE#
)
( resid 50 and name HB#
) 6.0 1.2 1.2 volume=0.139 peak=3028 ppm1=7.154 ppm2=1.435
assign ( resid 51 and name HE#
)
( resid 54 and name HE#
) 6.1 1.2 1.2 volume=0.120 peak=3029 ppm1=7.147 ppm2=1.278
assign ( resid 51 and name HE#
)
( resid 198 and name HG2#
) 4.6 0.9 0.9 volume=0.710 peak=3030 ppm1=7.145 ppm2=1.128
assign ( resid 51 and name HE#
)
( resid 198 and name HG1#
or resid 202 and name HD1#
) 5.3 1.1 1.1 volume=0.299 peak=3031 ppm1=7.151 ppm2=0.909
assign ( resid 51 and name HE#
)
( resid 194 and name HG1#
) 6.6 1.3 1.3 volume=0.079 peak=3032 ppm1=7.146 ppm2=0.422
assign ( resid 85 and name HE#
)
( resid 89 and name HD2#
) 4.6 0.9 0.9 volume=0.717 peak=3033 ppm1=6.462 ppm2=0.626
assign ( resid 85 and name HE#
)
( resid 89 and name HB2
) 3.7 0.7 0.7 volume=0.852 peak=3034 ppm1=6.462 ppm2=1.416
assign ( resid 85 and name HE#
)
( resid 39 and name HG2#
) 4.5 0.9 0.9 volume=0.749 peak=3035 ppm1=6.462 ppm2=1.746
assign ( resid 178 and name HE3
)
( resid 127 and name HE#
or resid 184 and name H
) 5.1 1.0 1.0 volume=0.081 peak=3036 ppm1=6.855 ppm2=7.181
assign ( resid 178 and name HZ3
)
( resid 124 and name HE#
or resid 178 and name HE3
) 4.2 0.8 0.8 volume=0.271 peak=3037 ppm1=6.519 ppm2=6.871
assign ( resid 178 and name HZ3
)
( resid 124 and name HA
or resid 179 and name HA
) 4.5 0.9 0.9 volume=0.121 peak=3038 ppm1=6.518 ppm2=4.176
assign ( resid 178 and name HZ3
)
( resid 179 and name HD1#
) 5.1 1.0 1.0 volume=0.186 peak=3039 ppm1=6.519 ppm2=0.817
assign ( resid 178 and name HE3
)
( resid 179 and name HA
) 4.1 0.8 0.8 volume=0.239 peak=3040 ppm1=6.867 ppm2=4.197
assign ( resid 178 and name HE3
)
( resid 179 and name HB3
) 4.7 0.9 0.9 volume=0.103 peak=3041 ppm1=6.860 ppm2=1.950
assign ( resid 178 and name HE3
)
( resid 179 and name HB2
or resid 179 and name HG
) 4.3 0.9 0.9 volume=0.165 peak=3042 ppm1=6.873 ppm2=1.787
assign ( resid 178 and name HE3
)
( resid 179 and name HD1#
) 4.7 0.9 0.9 volume=0.313 peak=3043 ppm1=6.859 ppm2=0.814
assign ( resid 178 and name HZ3
)
( resid 124 and name HD#
) 5.4 1.1 1.1 volume=0.088 peak=3044 ppm1=6.517 ppm2=7.382
assign ( resid 178 and name HE3
)
( resid 179 and name H
) 4.6 0.9 0.9 volume=0.106 peak=3045 ppm1=6.864 ppm2=8.138
assign ( resid 51 and name HD#
)
( resid 12 and name HA
or resid 48 and name HA
) 5.3 1.1 1.1 volume=0.094 peak=3046 ppm1=7.585 ppm2=4.211
assign ( resid 51 and name HD#
)
( resid 12 and name H
or resid 50 and name H
) 5.5 1.1 1.1 volume=0.080 peak=3047 ppm1=7.589 ppm2=8.548
assign ( resid 51 and name HD#
)
( resid 51 and name H
) 5.4 1.1 1.1 volume=0.090 peak=3048 ppm1=7.593 ppm2=8.970
assign ( resid 51 and name HD#
)
( resid 51 and name HA
) 5.2 1.0 1.0 volume=0.103 peak=3049 ppm1=7.594 ppm2=3.865
assign ( resid 171 and name HE3
)
( resid 137 and name HD1#
) 5.1 1.0 1.0 volume=0.182 peak=3050 ppm1=7.480 ppm2=1.263
assign ( resid 171 and name HE3
)
( resid 137 and name HG
) 4.2 0.8 0.8 volume=0.192 peak=3051 ppm1=7.482 ppm2=1.610
assign ( resid 8 and name HD#
)
( resid 8 and name HE#
) 5.3 1.1 1.1 volume=0.185 peak=3052 ppm1=7.144 ppm2=6.703
assign ( resid 8 and name HD#
)
( resid 5 and name HB
or resid 8 and name HA
) 5.2 1.0 1.0 volume=0.114 peak=3053 ppm1=7.128 ppm2=4.886
assign ( resid 8 and name HD#
)
( resid 5 and name HA
) 4.8 1.0 1.0 volume=0.181 peak=3054 ppm1=7.124 ppm2=4.299
assign ( resid 8 and name HD#
or resid 113 and name HE#
)
( resid 73 and name HB2
) 5.0 1.0 1.0 volume=0.138 peak=3055 ppm1=7.128 ppm2=3.560
assign ( resid 140 and name HD#
)
( resid 145 and name HG2
or resid 145 and name HG3
) 4.3 0.9 0.9 volume=0.329 peak=3056 ppm1=7.166 ppm2=2.482
assign ( resid 140 and name HD#
)
( resid 141 and name HG
or resid 145 and name HE#
) 4.9 1.0 1.0 volume=0.240 peak=3057 ppm1=7.167 ppm2=2.091
assign ( resid 140 and name HD#
)
( resid 100 and name HD1#
or resid 101 and name HG1#
or resid 101 and name HG2#
or resid 141 and name HD1#
) 4.1 0.8 0.8 volume=1.364 peak=3058 ppm1=7.169 ppm2=1.067
assign ( resid 140 and name HD#
)
( resid 93 and name HD1#
or resid 93 and name HD2#
or resid 100 and name HG2#
) 5.1 1.0 1.0 volume=0.380 peak=3059 ppm1=7.166 ppm2=0.733
assign ( resid 113 and name HE#
)
( resid 116 and name HB#
) 5.2 1.0 1.0 volume=0.326 peak=3060 ppm1=7.184 ppm2=1.620
assign ( resid 113 and name HE#
)
( resid 73 and name HB3
) 4.2 0.8 0.8 volume=0.396 peak=3061 ppm1=7.175 ppm2=2.478
assign ( resid 113 and name HE#
)
( resid 117 and name HE#
) 4.8 1.0 1.0 volume=0.503 peak=3062 ppm1=7.174 ppm2=1.926
assign ( resid 113 and name HE#
)
( resid 70 and name HG1#
or resid 74 and name HG13
) 3.6 0.7 0.7 volume=1.559 peak=3063 ppm1=7.175 ppm2=1.400
assign ( resid 113 and name HE#
)
( resid 70 and name HG2#
) 4.1 0.8 0.8 volume=1.420 peak=3064 ppm1=7.176 ppm2=1.150
assign ( resid 113 and name HE#
)
( resid 68 and name HG1#
or resid 68 and name HG2#
or resid 110 and name HD2#
) 4.1 0.8 0.8 volume=1.292 peak=3065 ppm1=7.176 ppm2=1.008
assign ( resid 113 and name HE#
)
( resid 77 and name HD1#
) 4.4 0.9 0.9 volume=0.840 peak=3066 ppm1=7.177 ppm2=0.887
assign ( resid 8 and name HD#
)
( resid 5 and name HA
) 5.3 1.1 1.1 volume=0.097 peak=3067 ppm1=7.165 ppm2=4.309
assign ( resid 113 and name HE#
)
( resid 70 and name HA
) 4.5 0.9 0.9 volume=0.271 peak=3068 ppm1=7.173 ppm2=3.960
assign ( resid 113 and name HE#
)
( resid 73 and name HB2
) 4.6 0.9 0.9 volume=0.216 peak=3069 ppm1=7.179 ppm2=3.522
assign ( resid 113 and name HE#
)
( resid 113 and name HB3
or resid 113 and name HB2
) 5.2 1.0 1.0 volume=0.107 peak=3070 ppm1=7.170 ppm2=3.346
assign ( resid 140 and name HD#
)
( resid 97 and name HA
or resid 137 and name HA
) 4.7 0.9 0.9 volume=0.211 peak=3071 ppm1=7.170 ppm2=4.244
assign ( resid 223 and name HA
)
( resid 223 and name HD2
) 3.6 0.7 0.7 volume=0.463 peak=3072 ppm1=4.899 ppm2=7.427
assign ( resid 223 and name HA
)
( resid 223 and name H
) 3.9 0.8 0.8 volume=0.309 peak=3073 ppm1=4.898 ppm2=8.284
assign ( resid 223 and name HA
)
( resid 223 and name HB2
) 2.6 0.5 0.5 volume=3.899 peak=3074 ppm1=4.900 ppm2=3.350
assign ( resid 223 and name HA
)
( resid 223 and name HB3
) 2.5 0.5 0.5 volume=4.564 peak=3075 ppm1=4.900 ppm2=3.527
assign ( resid 223 and name HA
)
( resid 222 and name HB3
or resid 222 and name HB2
) 3.6 0.7 0.7 volume=0.520 peak=3076 ppm1=4.901 ppm2=2.146
assign ( resid 223 and name HA
)
( resid 222 and name HG2
) 4.1 0.8 0.8 volume=0.239 peak=3077 ppm1=4.900 ppm2=2.458
assign ( resid 223 and name HA
)
( resid 222 and name HG3
) 4.2 0.8 0.8 volume=0.188 peak=3078 ppm1=4.902 ppm2=2.385
assign ( resid 223 and name HA
)
( resid 222 and name HA
) 3.6 0.7 0.7 volume=0.467 peak=3079 ppm1=4.900 ppm2=4.336
assign ( resid 223 and name HA
)
( resid 224 and name HA2
or resid 224 and name HA3
) 3.7 0.7 0.7 volume=0.395 peak=3080 ppm1=4.898 ppm2=4.139
assign ( resid 223 and name HD2
)
( resid 223 and name HA
) 4.0 0.8 0.8 volume=0.251 peak=3081 ppm1=7.428 ppm2=4.897
assign ( resid 223 and name HD2
)
( resid 223 and name HB3
) 3.5 0.7 0.7 volume=0.568 peak=3082 ppm1=7.428 ppm2=3.527
assign ( resid 223 and name HD2
)
( resid 223 and name HB2
) 3.3 0.7 0.7 volume=0.885 peak=3083 ppm1=7.429 ppm2=3.352
assign ( resid 223 and name HB2
)
( resid 223 and name HB3
) 1.9 0.2 0.4 volume=21.611 peak=3084 ppm1=3.358 ppm2=3.537
assign ( resid 8 and name HD#
)
( resid 5 and name H
or resid 55 and name H
) 5.5 1.1 1.1 volume=0.078 peak=3085 ppm1=7.129 ppm2=8.434
assign ( resid 85 and name HD#
)
( resid 98 and name HE#
) 4.8 1.0 1.0 volume=0.356 peak=3086 ppm1=6.895 ppm2=7.532
assign ( resid 85 and name HD#
)
( resid 98 and name HD#
) 4.8 1.0 1.0 volume=0.332 peak=3087 ppm1=6.896 ppm2=7.296
assign ( resid 127 and name HD#
)
( resid 131 and name HB#
) 5.2 1.0 1.0 volume=0.317 peak=3088 ppm1=6.463 ppm2=1.175
assign ( resid 127 and name HD#
)
( resid 179 and name HD1#
) 5.8 1.2 1.2 volume=0.169 peak=3089 ppm1=6.461 ppm2=0.816
assign ( resid 85 and name HE#
)
( resid 98 and name HE#
) 5.0 1.0 1.0 volume=0.265 peak=3090 ppm1=6.464 ppm2=7.528
assign ( resid 85 and name HE#
)
( resid 98 and name HZ
or resid 98 and name HD#
) 4.8 1.0 1.0 volume=0.227 peak=3091 ppm1=6.460 ppm2=7.298
assign ( resid 85 and name HE#
)
( resid 86 and name HA
) 5.4 1.1 1.1 volume=0.088 peak=3092 ppm1=6.461 ppm2=3.958
assign ( resid 85 and name HE#
)
( resid 85 and name HB2
) 5.2 1.0 1.0 volume=0.109 peak=3093 ppm1=6.461 ppm2=3.559
assign ( resid 127 and name HD#
)
( resid 178 and name HE3
) 4.7 0.9 0.9 volume=0.203 peak=3094 ppm1=6.462 ppm2=6.903
assign ( resid 69 and name HE#
)
( resid 69 and name HA
) 5.3 1.1 1.1 volume=0.099 peak=3095 ppm1=6.336 ppm2=5.062
assign ( resid 69 and name HE#
)
( resid 4 and name HD2#
) 5.4 1.1 1.1 volume=0.253 peak=3096 ppm1=6.333 ppm2=0.898
assign ( resid 69 and name HE#
)
( resid 4 and name HD1#
or resid 67 and name HG2#
) 5.4 1.1 1.1 volume=0.263 peak=3097 ppm1=6.334 ppm2=0.626
assign ( resid 99 and name HA3
)
( resid 99 and name H
) 3.7 0.7 0.7 volume=0.435 peak=3098 ppm1=4.097 ppm2=8.312
assign ( resid 99 and name HA3
)
( resid 100 and name H
) 4.4 0.9 0.9 volume=0.145 peak=3099 ppm1=4.092 ppm2=7.867
assign ( resid 51 and name HA
)
( resid 8 and name HD#
or resid 51 and name HE#
) 5.0 1.0 1.0 volume=0.133 peak=3100 ppm1=3.902 ppm2=7.157
assign ( resid 73 and name HE#
)
( resid 73 and name H
) 5.5 1.1 1.1 volume=0.080 peak=3101 ppm1=6.818 ppm2=6.364
assign ( resid 73 and name HE#
)
( resid 113 and name HA
) 5.3 1.1 1.1 volume=0.102 peak=3102 ppm1=6.824 ppm2=3.777
assign ( resid 73 and name HE#
)
( resid 73 and name HB2
) 5.2 1.0 1.0 volume=0.107 peak=3103 ppm1=6.823 ppm2=3.544
assign ( resid 73 and name HE#
)
( resid 178 and name HD1
) 5.2 1.0 1.0 volume=0.112 peak=3104 ppm1=6.818 ppm2=7.680
assign ( resid 73 and name HE#
)
( resid 69 and name H
or resid 113 and name H
) 5.2 1.0 1.0 volume=0.111 peak=3105 ppm1=6.822 ppm2=8.130
assign ( resid 73 and name HD#
)
( resid 113 and name HB3
or resid 113 and name HB2
) 5.3 1.1 1.1 volume=0.097 peak=3106 ppm1=7.063 ppm2=3.358
assign ( resid 85 and name HD#
)
( resid 89 and name HD1#
) 5.3 1.1 1.1 volume=0.306 peak=3107 ppm1=6.896 ppm2=0.204
assign ( resid 85 and name HD#
)
( resid 89 and name HD2#
) 5.5 1.1 1.1 volume=0.243 peak=3108 ppm1=6.898 ppm2=0.630
assign ( resid 85 and name HD#
)
( resid 86 and name HA
) 5.1 1.0 1.0 volume=0.121 peak=3109 ppm1=6.899 ppm2=3.965
assign ( resid 85 and name HD#
)
( resid 86 and name HB3
) 5.0 1.0 1.0 volume=0.131 peak=3110 ppm1=6.896 ppm2=2.459
assign ( resid 85 and name HD#
)
( resid 39 and name HG2#
or resid 102 and name HG12
) 4.0 0.8 0.8 volume=0.831 peak=3111 ppm1=6.896 ppm2=1.747
assign ( resid 85 and name HD#
)
( resid 89 and name HG
) 5.0 1.0 1.0 volume=0.141 peak=3112 ppm1=6.894 ppm2=1.250
assign ( resid 85 and name HD#
)
( resid 82 and name HD1#
or resid 102 and name HD1#
) 4.1 0.8 0.8 volume=1.271 peak=3113 ppm1=6.897 ppm2=1.013
assign ( resid 85 and name HE#
)
( resid 89 and name HD1#
) 4.5 0.9 0.9 volume=0.815 peak=3114 ppm1=6.461 ppm2=0.205
assign ( resid 124 and name HD#
)
( resid 125 and name H
) 4.8 1.0 1.0 volume=0.175 peak=3115 ppm1=7.406 ppm2=8.011
assign ( resid 124 and name HD#
)
( resid 178 and name HZ3
) 4.5 0.9 0.9 volume=0.266 peak=3116 ppm1=7.403 ppm2=6.517
assign ( resid 124 and name HD#
)
( resid 121 and name HB
) 4.6 0.9 0.9 volume=0.214 peak=3117 ppm1=7.403 ppm2=2.306
assign ( resid 37 and name HD#
)
( resid 33 and name HG3
or resid 33 and name HG2
) 4.2 0.8 0.8 volume=0.386 peak=3118 ppm1=7.359 ppm2=2.496
assign ( resid 86 and name HD#
)
( resid 40 and name HG
) 4.1 0.8 0.8 volume=0.437 peak=3119 ppm1=7.359 ppm2=2.085
assign ( resid 37 and name HD#
)
( resid 25 and name HB#
) 4.4 0.9 0.9 volume=0.852 peak=3120 ppm1=7.359 ppm2=1.889
assign ( resid 86 and name HD#
)
( resid 39 and name HG2#
) 4.6 0.9 0.9 volume=0.653 peak=3121 ppm1=7.361 ppm2=1.737
assign ( resid 98 and name HD#
)
( resid 102 and name HG12
) 4.3 0.9 0.9 volume=0.357 peak=3122 ppm1=7.319 ppm2=1.744
assign ( resid 22 and name HD#
)
( resid 25 and name HB#
) 5.6 1.1 1.1 volume=0.211 peak=3123 ppm1=7.201 ppm2=1.880
assign ( resid 37 and name HD#
)
( resid 29 and name HB#
) 4.2 0.8 0.8 volume=1.155 peak=3124 ppm1=7.358 ppm2=1.450
assign ( resid 22 and name HD#
)
( resid 19 and name HG2#
or resid 21 and name HB#
or resid 41 and name HG2#
or resid 206 and name HG2#
) 4.8 1.0 1.0 volume=0.519 peak=3125 ppm1=7.204 ppm2=1.445
assign ( resid 98 and name HE#
)
( resid 84 and name HG1#
or resid 89 and name HG
) 4.9 1.0 1.0 volume=0.238 peak=3126 ppm1=7.530 ppm2=1.254
assign ( resid 210 and name HD#
)
( resid 206 and name HG1#
) 3.6 0.7 0.7 volume=2.886 peak=3127 ppm1=7.555 ppm2=1.033
assign ( resid 98 and name HD#
)
( resid 84 and name HG2#
or resid 101 and name HG1#
or resid 101 and name HG2#
or resid 102 and name HD1#
) 3.8 0.8 0.8 volume=2.096 peak=3128 ppm1=7.312 ppm2=1.047
assign ( resid 176 and name HD#
)
( resid 173 and name HG2#
or resid 180 and name HD2#
or resid 180 and name HD1#
) 4.2 0.8 0.8 volume=1.149 peak=3129 ppm1=7.631 ppm2=1.002
assign ( resid 86 and name HD#
)
( resid 87 and name HD1#
or resid 87 and name HD2#
) 4.1 0.8 0.8 volume=1.335 peak=3130 ppm1=7.357 ppm2=1.018
assign ( resid 124 and name HD#
)
( resid 179 and name HD1#
) 4.9 1.0 1.0 volume=0.456 peak=3131 ppm1=7.403 ppm2=0.823
assign ( resid 98 and name HE#
)
( resid 93 and name HD1#
or resid 93 and name HD2#
or resid 93 and name HB3
) 4.4 0.9 0.9 volume=0.521 peak=3132 ppm1=7.535 ppm2=0.771
assign ( resid 98 and name HE#
)
( resid 89 and name HD2#
) 5.2 1.0 1.0 volume=0.312 peak=3133 ppm1=7.533 ppm2=0.624
assign ( resid 86 and name HD#
)
( resid 40 and name HD2#
or resid 163 and name HD2#
) 4.4 0.9 0.9 volume=0.839 peak=3134 ppm1=7.357 ppm2=0.506
assign ( resid 22 and name HD#
)
( resid 40 and name HD2#
) 6.4 1.3 1.3 volume=0.097 peak=3135 ppm1=7.197 ppm2=0.496
assign ( resid 98 and name HD#
)
( resid 93 and name HD1#
or resid 93 and name HD2#
or resid 93 and name HB3
) 4.1 0.8 0.8 volume=0.808 peak=3136 ppm1=7.310 ppm2=0.762
assign ( resid 199 and name HD#
)
( resid 203 and name HG1#
) 3.6 0.7 0.7 volume=3.058 peak=3137 ppm1=7.000 ppm2=0.978
assign ( resid 199 and name HD#
)
( resid 200 and name HD2#
) 3.7 0.7 0.7 volume=2.335 peak=3138 ppm1=7.000 ppm2=0.861
assign ( resid 199 and name HD#
)
( resid 200 and name HD1#
) 4.9 1.0 1.0 volume=0.495 peak=3139 ppm1=6.998 ppm2=0.273
assign ( resid 36 and name HE#
)
( resid 89 and name HG
) 5.4 1.1 1.1 volume=0.086 peak=3140 ppm1=6.611 ppm2=1.235
assign ( resid 36 and name HE#
)
( resid 89 and name H
) 5.3 1.1 1.1 volume=0.095 peak=3141 ppm1=6.615 ppm2=9.026
assign ( resid 37 and name HD#
)
( resid 26 and name H
) 4.6 0.9 0.9 volume=0.219 peak=3142 ppm1=7.361 ppm2=7.785
assign ( resid 37 and name HD#
)
( resid 34 and name H
) 5.4 1.1 1.1 volume=0.083 peak=3143 ppm1=7.361 ppm2=8.337
assign ( resid 37 and name HD#
)
( resid 38 and name H
) 4.4 0.9 0.9 volume=0.313 peak=3144 ppm1=7.360 ppm2=8.777
assign ( resid 139 and name HD#
)
( resid 140 and name H
) 4.0 0.8 0.8 volume=0.557 peak=3145 ppm1=6.972 ppm2=8.305
assign ( resid 86 and name HE#
)
( resid 159 and name HB2
) 5.0 1.0 1.0 volume=0.137 peak=3146 ppm1=6.985 ppm2=1.698
assign ( resid 86 and name HE#
)
( resid 212 and name HB#
) 4.3 0.9 0.9 volume=1.034 peak=3147 ppm1=7.002 ppm2=1.427
assign ( resid 86 and name HE#
)
( resid 40 and name HB2
or resid 87 and name HD1#
or resid 90 and name HD2#
) 4.3 0.9 0.9 volume=0.642 peak=3148 ppm1=7.003 ppm2=0.991
assign ( resid 139 and name HE#
or resid 199 and name HE#
)
( resid 139 and name HD#
or resid 199 and name HD#
) 2.3 0.5 0.5 volume=28.407 peak=3149 ppm1=6.690 ppm2=6.996
assign ( resid 199 and name HE#
)
( resid 200 and name HA
) 4.4 0.9 0.9 volume=0.284 peak=3150 ppm1=6.692 ppm2=3.870
assign ( resid 139 and name HE#
or resid 199 and name HE#
)
( resid 139 and name HB2
or resid 199 and name HB2
) 4.2 0.8 0.8 volume=0.387 peak=3151 ppm1=6.689 ppm2=3.079
assign ( resid 199 and name HE#
)
( resid 203 and name HB
) 4.6 0.9 0.9 volume=0.230 peak=3152 ppm1=6.690 ppm2=2.282
assign ( resid 199 and name HE#
)
( resid 200 and name HG
) 4.1 0.8 0.8 volume=0.422 peak=3153 ppm1=6.680 ppm2=1.893
assign ( resid 199 and name HE#
)
( resid 203 and name HG1#
) 3.5 0.7 0.7 volume=3.252 peak=3154 ppm1=6.692 ppm2=0.986
assign ( resid 199 and name HE#
)
( resid 200 and name HD1#
) 5.9 1.2 1.2 volume=0.149 peak=3155 ppm1=6.697 ppm2=0.272
assign ( resid 140 and name HD#
)
( resid 139 and name HE#
) 5.1 1.0 1.0 volume=0.232 peak=3156 ppm1=7.152 ppm2=6.688
assign ( resid 160 and name HB2
)
( resid 160 and name HA
) 4.9 1.0 1.0 volume=0.077 peak=3157 ppm1=3.265 ppm2=3.888
assign ( resid 199 and name HD#
)
( resid 200 and name HG
) 3.9 0.8 0.8 volume=0.614 peak=3158 ppm1=7.000 ppm2=1.854
assign ( resid 199 and name HD#
)
( resid 203 and name HB
) 4.1 0.8 0.8 volume=0.441 peak=3159 ppm1=6.999 ppm2=2.303
assign ( resid 113 and name HD#
)
( resid 73 and name HB2
or resid 114 and name HA
) 4.7 0.9 0.9 volume=0.207 peak=3160 ppm1=7.013 ppm2=3.572
assign ( resid 127 and name HE#
)
( resid 179 and name H
) 5.0 1.0 1.0 volume=0.139 peak=3161 ppm1=7.187 ppm2=8.119
assign ( resid 98 and name HZ
)
( resid 89 and name HD2#
) 4.2 0.8 0.8 volume=0.623 peak=3162 ppm1=7.259 ppm2=0.627
assign ( resid 98 and name HZ
)
( resid 93 and name HD1#
or resid 93 and name HD2#
or resid 93 and name HB3
) 4.5 0.9 0.9 volume=0.225 peak=3163 ppm1=7.259 ppm2=0.782
assign ( resid 98 and name HZ
)
( resid 89 and name HG
or resid 91 and name HB#
) 4.3 0.9 0.9 volume=0.258 peak=3164 ppm1=7.252 ppm2=1.237
assign ( resid 98 and name HZ
)
( resid 89 and name HD1#
) 5.1 1.0 1.0 volume=0.186 peak=3165 ppm1=7.254 ppm2=0.202
assign ( resid 86 and name HE#
)
( resid 40 and name HD2#
or resid 163 and name HD2#
) 5.4 1.1 1.1 volume=0.268 peak=3166 ppm1=7.000 ppm2=0.506
assign ( resid 69 and name HZ
)
( resid 69 and name HE#
) 4.0 0.8 0.8 volume=0.547 peak=3167 ppm1=6.679 ppm2=6.329
assign ( resid 69 and name HD#
)
( resid 69 and name H
) 5.2 1.0 1.0 volume=0.107 peak=3168 ppm1=6.724 ppm2=8.146
assign ( resid 8 and name HE#
or resid 69 and name HD#
)
( resid 8 and name HD#
or resid 51 and name HE#
or resid 60 and name HD1
) 4.6 0.9 0.9 volume=0.344 peak=3169 ppm1=6.715 ppm2=7.137
assign ( resid 8 and name HE#
or resid 69 and name HD#
)
( resid 4 and name HD1#
or resid 67 and name HG2#
) 6.0 1.2 1.2 volume=0.141 peak=3170 ppm1=6.732 ppm2=0.645
assign ( resid 134 and name HE#
)
( resid 137 and name HG
) 4.9 1.0 1.0 volume=0.149 peak=3171 ppm1=7.485 ppm2=1.619
assign ( resid 134 and name HE#
)
( resid 137 and name HD1#
or resid 137 and name HD2#
) 5.8 1.2 1.2 volume=0.175 peak=3172 ppm1=7.499 ppm2=1.235
assign ( resid 134 and name HE#
)
( resid 172 and name HB#
) 5.7 1.1 1.1 volume=0.187 peak=3173 ppm1=7.476 ppm2=1.951
assign ( resid 134 and name HE#
)
( resid 134 and name HB3
or resid 134 and name HB2
or resid 168 and name HA
) 5.2 1.0 1.0 volume=0.115 peak=3174 ppm1=7.474 ppm2=3.477
assign ( resid 134 and name HE#
)
( resid 138 and name HG1#
) 5.9 1.2 1.2 volume=0.154 peak=3175 ppm1=7.484 ppm2=0.468
assign ( resid 176 and name HD#
)
( resid 173 and name HA
) 3.9 0.8 0.8 volume=0.625 peak=3176 ppm1=7.631 ppm2=4.151
assign ( resid 176 and name HD#
)
( resid 172 and name HB#
) 5.7 1.1 1.1 volume=0.194 peak=3177 ppm1=7.631 ppm2=1.950
assign ( resid 176 and name HD#
)
( resid 179 and name HB2
) 4.8 1.0 1.0 volume=0.166 peak=3178 ppm1=7.632 ppm2=1.787
assign ( resid 176 and name HD#
)
( resid 177 and name HG12
) 5.0 1.0 1.0 volume=0.135 peak=3179 ppm1=7.631 ppm2=1.643
assign ( resid 176 and name HE#
)
( resid 176 and name HB2
) 5.1 1.0 1.0 volume=0.121 peak=3180 ppm1=7.432 ppm2=3.497
assign ( resid 176 and name HE#
)
( resid 172 and name HB#
) 5.5 1.1 1.1 volume=0.241 peak=3181 ppm1=7.435 ppm2=1.949
assign ( resid 210 and name HE#
)
( resid 21 and name HB#
) 4.1 0.8 0.8 volume=1.411 peak=3182 ppm1=7.241 ppm2=1.505
assign ( resid 176 and name HE#
)
( resid 180 and name HD2#
or resid 180 and name HD1#
) 4.5 0.9 0.9 volume=0.753 peak=3183 ppm1=7.432 ppm2=0.997
assign ( resid 98 and name HE#
)
( resid 98 and name H
) 5.0 1.0 1.0 volume=0.143 peak=3184 ppm1=7.543 ppm2=8.631
assign ( resid 210 and name HD#
)
( resid 211 and name H
) 5.0 1.0 1.0 volume=0.140 peak=3185 ppm1=7.558 ppm2=8.465
assign ( resid 210 and name HZ
)
( resid 18 and name HA2
or resid 18 and name HA3
) 4.5 0.9 0.9 volume=0.123 peak=3186 ppm1=7.084 ppm2=3.533
assign ( resid 98 and name HZ
)
( resid 89 and name HA
) 3.9 0.8 0.8 volume=0.313 peak=3187 ppm1=7.249 ppm2=4.248
assign ( resid 210 and name HE#
)
( resid 210 and name HA
) 5.3 1.1 1.1 volume=0.093 peak=3188 ppm1=7.240 ppm2=4.587
assign ( resid 210 and name HE#
)
( resid 210 and name H
) 5.3 1.1 1.1 volume=0.092 peak=3189 ppm1=7.239 ppm2=9.161
assign ( resid 98 and name HD#
)
( resid 97 and name H
or resid 99 and name H
) 4.9 1.0 1.0 volume=0.154 peak=3190 ppm1=7.311 ppm2=8.340
assign ( resid 98 and name HD#
)
( resid 98 and name HE#
) 3.2 0.6 0.6 volume=3.879 peak=3191 ppm1=7.311 ppm2=7.529
assign ( resid 98 and name HE#
)
( resid 85 and name HD#
) 5.1 1.0 1.0 volume=0.236 peak=3192 ppm1=7.536 ppm2=6.886
assign ( resid 98 and name HD#
)
( resid 93 and name HA
or resid 95 and name HB3
or resid 95 and name HB2
) 4.3 0.9 0.9 volume=0.331 peak=3193 ppm1=7.315 ppm2=4.139
assign ( resid 98 and name HD#
)
( resid 88 and name HA2
or resid 88 and name HA3
) 5.0 1.0 1.0 volume=0.137 peak=3194 ppm1=7.311 ppm2=3.765
assign ( resid 210 and name HD#
)
( resid 207 and name HA3
) 4.4 0.9 0.9 volume=0.289 peak=3195 ppm1=7.554 ppm2=3.833
assign ( resid 98 and name HE#
)
( resid 88 and name HA2
or resid 88 and name HA3
) 4.5 0.9 0.9 volume=0.270 peak=3196 ppm1=7.534 ppm2=3.753
assign ( resid 98 and name HE#
)
( resid 98 and name HB2
) 5.0 1.0 1.0 volume=0.130 peak=3197 ppm1=7.534 ppm2=3.190
assign ( resid 98 and name HD#
)
( resid 102 and name HG13
) 4.3 0.9 0.9 volume=0.330 peak=3198 ppm1=7.313 ppm2=1.629
assign ( resid 98 and name HE#
or resid 210 and name HD#
)
( resid 145 and name HE#
or resid 213 and name HG
or resid 213 and name HB3
) 4.4 0.9 0.9 volume=0.402 peak=3199 ppm1=7.554 ppm2=2.130
assign ( resid 86 and name HD#
)
( resid 89 and name HD1#
) 6.5 1.3 1.3 volume=0.088 peak=3200 ppm1=7.355 ppm2=0.225
assign ( resid 98 and name HE#
)
( resid 88 and name H
) 5.0 1.0 1.0 volume=0.135 peak=3201 ppm1=7.531 ppm2=9.480
assign ( resid 178 and name HH2
)
( resid 178 and name HZ2
) 4.2 0.8 0.8 volume=0.199 peak=3202 ppm1=6.605 ppm2=7.236
assign ( resid 178 and name HH2
)
( resid 124 and name HE#
or resid 178 and name HE3
) 5.1 1.0 1.0 volume=0.081 peak=3203 ppm1=6.599 ppm2=6.863
assign ( resid 22 and name HD#
)
( resid 23 and name H
) 5.2 1.0 1.0 volume=0.114 peak=3204 ppm1=7.200 ppm2=8.584
assign ( resid 171 and name HH2
)
( resid 84 and name HG1#
or resid 137 and name HD1#
) 4.7 0.9 0.9 volume=0.287 peak=3205 ppm1=7.477 ppm2=1.273
assign ( resid 60 and name HH2
)
( resid 4 and name HD1#
) 5.8 1.2 1.2 volume=0.081 peak=3206 ppm1=7.531 ppm2=0.659
assign ( resid 69 and name HZ
)
( resid 4 and name HD1#
or resid 67 and name HG2#
) 4.7 0.9 0.9 volume=0.313 peak=3207 ppm1=6.678 ppm2=0.648
assign ( resid 76 and name HZ2
)
( resid 76 and name HH2
) 4.5 0.9 0.9 volume=0.137 peak=3208 ppm1=7.777 ppm2=7.427
assign ( resid 76 and name HZ2
)
( resid 197 and name HD1#
) 4.9 1.0 1.0 volume=0.241 peak=3209 ppm1=7.776 ppm2=1.089
assign ( resid 76 and name HH2
)
( resid 197 and name HG12
) 4.4 0.9 0.9 volume=0.150 peak=3210 ppm1=7.422 ppm2=1.632
assign ( resid 76 and name HH2
)
( resid 197 and name HD1#
) 5.0 1.0 1.0 volume=0.195 peak=3211 ppm1=7.425 ppm2=1.082
assign ( resid 98 and name HZ
)
( resid 85 and name HE#
) 5.1 1.0 1.0 volume=0.118 peak=3212 ppm1=7.262 ppm2=6.464
assign ( resid 98 and name HZ
)
( resid 88 and name HA2
or resid 88 and name HA3
) 4.5 0.9 0.9 volume=0.130 peak=3213 ppm1=7.265 ppm2=3.756
assign ( resid 98 and name HZ
)
( resid 89 and name H
) 4.4 0.9 0.9 volume=0.150 peak=3214 ppm1=7.256 ppm2=9.019
assign ( resid 210 and name HZ
)
( resid 17 and name HG1#
or resid 213 and name HD1#
) 4.0 0.8 0.8 volume=0.757 peak=3215 ppm1=7.093 ppm2=1.147
assign ( resid 69 and name HE#
)
( resid 69 and name H
) 5.5 1.1 1.1 volume=0.079 peak=3216 ppm1=6.326 ppm2=8.125
assign ( resid 113 and name HD#
)
( resid 110 and name HA
) 4.8 1.0 1.0 volume=0.178 peak=3217 ppm1=7.012 ppm2=4.298
assign ( resid 113 and name HD#
)
( resid 73 and name HE#
) 5.0 1.0 1.0 volume=0.268 peak=3218 ppm1=7.010 ppm2=6.832
assign ( resid 60 and name HZ3
)
( resid 4 and name HD1#
) 5.9 1.2 1.2 volume=0.077 peak=3219 ppm1=7.483 ppm2=0.634
assign ( resid 134 and name HZ
)
( resid 172 and name HA
) 4.7 0.9 0.9 volume=0.098 peak=3220 ppm1=7.388 ppm2=4.202
assign ( resid 134 and name HZ
)
( resid 172 and name HB#
) 4.9 1.0 1.0 volume=0.229 peak=3221 ppm1=7.387 ppm2=1.949
assign ( resid 134 and name HZ
)
( resid 168 and name HG2#
) 5.1 1.0 1.0 volume=0.174 peak=3222 ppm1=7.376 ppm2=0.995
assign ( resid 134 and name HZ
)
( resid 138 and name HG1#
) 5.5 1.1 1.1 volume=0.122 peak=3223 ppm1=7.386 ppm2=0.470
assign ( resid 134 and name HZ
)
( resid 168 and name HA
) 4.8 1.0 1.0 volume=0.085 peak=3224 ppm1=7.391 ppm2=3.446
assign ( resid 73 and name HD#
)
( resid 113 and name HA
) 5.4 1.1 1.1 volume=0.086 peak=3225 ppm1=7.078 ppm2=3.775
assign ( resid 22 and name HD#
)
( resid 41 and name HA
) 4.5 0.9 0.9 volume=0.261 peak=3226 ppm1=7.204 ppm2=4.110
assign ( resid 8 and name HD#
)
( resid 55 and name HA
) 4.9 1.0 1.0 volume=0.147 peak=3227 ppm1=7.117 ppm2=4.103
assign ( resid 8 and name HD#
)
( resid 4 and name HA
) 5.4 1.1 1.1 volume=0.083 peak=3228 ppm1=7.113 ppm2=3.798
assign ( resid 210 and name HE#
)
( resid 206 and name HB
) 5.2 1.0 1.0 volume=0.105 peak=3229 ppm1=7.238 ppm2=2.611
assign ( resid 113 and name HD#
)
( resid 73 and name HB3
) 4.3 0.9 0.9 volume=0.355 peak=3230 ppm1=7.015 ppm2=2.476
assign ( resid 210 and name HE#
)
( resid 17 and name HB
) 5.4 1.1 1.1 volume=0.083 peak=3231 ppm1=7.238 ppm2=2.437
assign ( resid 210 and name HE#
)
( resid 213 and name HB3
) 5.0 1.0 1.0 volume=0.130 peak=3232 ppm1=7.238 ppm2=2.115
assign ( resid 113 and name HD#
)
( resid 116 and name HB#
) 4.9 1.0 1.0 volume=0.457 peak=3233 ppm1=7.014 ppm2=1.596
assign ( resid 210 and name HE#
)
( resid 17 and name HG2#
or resid 206 and name HG1#
) 3.6 0.7 0.7 volume=2.827 peak=3234 ppm1=7.241 ppm2=1.017
assign ( resid 134 and name HZ
)
( resid 137 and name HD2#
) 5.7 1.1 1.1 volume=0.098 peak=3235 ppm1=7.400 ppm2=1.199
assign ( resid 8 and name HD#
)
( resid 194 and name HG1#
) 6.4 1.3 1.3 volume=0.097 peak=3236 ppm1=7.139 ppm2=0.421
assign ( resid 86 and name HE#
)
( resid 36 and name HA
) 5.2 1.0 1.0 volume=0.113 peak=3237 ppm1=7.002 ppm2=4.141
assign ( resid 69 and name HD#
)
( resid 69 and name HB3
) 5.4 1.1 1.1 volume=0.087 peak=3238 ppm1=6.740 ppm2=3.201
assign ( resid 69 and name HD#
)
( resid 69 and name HB2
) 5.5 1.1 1.1 volume=0.079 peak=3239 ppm1=6.737 ppm2=2.761
assign ( resid 86 and name HZ
)
( resid 163 and name HD1#
) 5.7 1.1 1.1 volume=0.096 peak=3240 ppm1=6.670 ppm2=0.280
assign ( resid 210 and name HD#
)
( resid 206 and name HB
) 5.5 1.1 1.1 volume=0.079 peak=3241 ppm1=7.559 ppm2=2.619
assign ( resid 210 and name HD#
)
( resid 213 and name HB2
) 4.7 0.9 0.9 volume=0.203 peak=3242 ppm1=7.557 ppm2=1.869
assign ( resid 98 and name HE#
or resid 210 and name HD#
)
( resid 93 and name HB2
or resid 206 and name HG2#
) 3.8 0.8 0.8 volume=1.070 peak=3243 ppm1=7.557 ppm2=1.413
assign ( resid 171 and name HH2
)
( resid 80 and name HG2#
) 5.6 1.1 1.1 volume=0.106 peak=3244 ppm1=7.473 ppm2=0.446
assign ( resid 171 and name HE3
)
( resid 109 and name HE#
) 5.8 1.2 1.2 volume=0.082 peak=3245 ppm1=7.475 ppm2=1.446
assign ( resid 60 and name HZ2
)
( resid 57 and name HA2
or resid 57 and name HA3
) 4.9 1.0 1.0 volume=0.076 peak=3246 ppm1=7.747 ppm2=3.779
assign ( resid 22 and name HA
)
( resid 213 and name HD1#
or resid 213 and name HD2#
) 4.4 0.9 0.9 volume=0.420 peak=3247 ppm1=4.879 ppm2=1.102
assign ( resid 22 and name HA
)
( resid 21 and name HB#
) 4.9 1.0 1.0 volume=0.229 peak=3248 ppm1=4.884 ppm2=1.506
assign ( resid 22 and name HA
)
( resid 25 and name HB#
) 4.8 1.0 1.0 volume=0.262 peak=3249 ppm1=4.880 ppm2=1.893
assign ( resid 22 and name HA
)
( resid 23 and name HB#
) 5.3 1.1 1.1 volume=0.146 peak=3250 ppm1=4.893 ppm2=1.711
assign ( resid 22 and name HA
)
( resid 22 and name HB2
) 4.5 0.9 0.9 volume=0.126 peak=3251 ppm1=4.872 ppm2=3.353
assign ( resid 22 and name HA
)
( resid 22 and name HB3
or resid 24 and name HB2
) 4.7 0.9 0.9 volume=0.106 peak=3252 ppm1=4.883 ppm2=3.511
assign ( resid 69 and name HA
)
( resid 70 and name H
) 4.5 0.9 0.9 volume=0.127 peak=3253 ppm1=5.096 ppm2=8.744
assign ( resid 69 and name HA
)
( resid 69 and name H
) 4.7 0.9 0.9 volume=0.102 peak=3254 ppm1=5.097 ppm2=8.142
assign ( resid 69 and name HA
)
( resid 60 and name HD1
) 4.7 0.9 0.9 volume=0.098 peak=3255 ppm1=5.078 ppm2=7.162
assign ( resid 69 and name HA
)
( resid 69 and name HB3
) 4.8 1.0 1.0 volume=0.088 peak=3256 ppm1=5.083 ppm2=3.196
assign ( resid 69 and name HB2
)
( resid 69 and name HB3
) 4.6 0.9 0.9 volume=0.107 peak=3257 ppm1=2.764 ppm2=3.196
assign ( resid 69 and name HB2
)
( resid 69 and name HA
) 4.8 1.0 1.0 volume=0.084 peak=3258 ppm1=2.752 ppm2=5.098
assign ( resid 69 and name HA
)
( resid 70 and name HG1#
) 5.2 1.0 1.0 volume=0.157 peak=3259 ppm1=5.095 ppm2=1.393
assign ( resid 69 and name HA
)
( resid 61 and name HG1#
or resid 61 and name HG2#
or resid 68 and name HG2#
) 5.2 1.0 1.0 volume=0.156 peak=3260 ppm1=5.104 ppm2=1.075
assign ( resid 98 and name HB2
)
( resid 93 and name HD1#
or resid 93 and name HD2#
or resid 93 and name HB3
) 4.6 0.9 0.9 volume=0.206 peak=3261 ppm1=3.184 ppm2=0.766
assign ( resid 98 and name HB3
)
( resid 93 and name HD1#
or resid 93 and name HD2#
or resid 93 and name HB3
) 4.3 0.9 0.9 volume=0.325 peak=3262 ppm1=3.379 ppm2=0.769
assign ( resid 98 and name HB2
)
( resid 101 and name HG1#
or resid 102 and name HD1#
) 4.2 0.8 0.8 volume=0.623 peak=3263 ppm1=3.181 ppm2=1.032
assign ( resid 98 and name HB2
)
( resid 93 and name HB2
) 4.1 0.8 0.8 volume=0.226 peak=3264 ppm1=3.176 ppm2=1.409
assign ( resid 98 and name HA
)
( resid 102 and name HG13
) 3.9 0.8 0.8 volume=0.304 peak=3265 ppm1=4.436 ppm2=1.648
assign ( resid 98 and name HB2
)
( resid 102 and name HB
) 4.4 0.9 0.9 volume=0.149 peak=3266 ppm1=3.211 ppm2=2.182
assign ( resid 75 and name HB3
)
( resid 75 and name HB2
) 4.7 0.9 0.9 volume=0.101 peak=3267 ppm1=3.195 ppm2=2.500
assign ( resid 75 and name HB3
or resid 98 and name HB2
)
( resid 72 and name HA
or resid 99 and name HA2
) 4.7 0.9 0.9 volume=0.098 peak=3268 ppm1=3.199 ppm2=3.793
assign ( resid 98 and name HB2
)
( resid 95 and name HB3
or resid 95 and name HB2
or resid 99 and name HA3
) 4.1 0.8 0.8 volume=0.216 peak=3269 ppm1=3.186 ppm2=4.151
assign ( resid 98 and name HB3
)
( resid 95 and name HA
or resid 98 and name HA
) 3.4 0.7 0.7 volume=0.658 peak=3270 ppm1=3.383 ppm2=4.414
assign ( resid 98 and name HB2
)
( resid 97 and name H
or resid 99 and name H
) 3.8 0.8 0.8 volume=0.338 peak=3271 ppm1=3.185 ppm2=8.324
assign ( resid 124 and name HE#
)
( resid 178 and name HH2
) 4.3 0.9 0.9 volume=0.342 peak=3272 ppm1=6.881 ppm2=6.564
assign ( resid 124 and name HE#
)
( resid 178 and name HZ3
) 4.4 0.9 0.9 volume=0.303 peak=3273 ppm1=6.892 ppm2=6.466
assign ( resid 73 and name HD#
)
( resid 69 and name H
or resid 113 and name H
) 5.7 1.1 1.1 volume=0.061 peak=3274 ppm1=7.058 ppm2=8.120
assign ( resid 160 and name HB3
)
( resid 160 and name H
) 5.0 1.0 1.0 volume=0.072 peak=3275 ppm1=3.044 ppm2=9.075
assign ( resid 160 and name HB2
)
( resid 161 and name H
) 4.7 0.9 0.9 volume=0.102 peak=3276 ppm1=3.263 ppm2=8.624
assign ( resid 139 and name HB2
)
( resid 140 and name H
) 4.4 0.9 0.9 volume=0.149 peak=3277 ppm1=3.112 ppm2=8.314
assign ( resid 124 and name HB3
or resid 160 and name HB2
)
( resid 125 and name H
) 5.1 1.0 1.0 volume=0.060 peak=3278 ppm1=3.273 ppm2=8.005
assign ( resid 124 and name HB3
)
( resid 125 and name H
) 5.1 1.0 1.0 volume=0.061 peak=3279 ppm1=3.250 ppm2=7.991
assign ( resid 160 and name HA
)
( resid 163 and name HD2#
) 5.8 1.2 1.2 volume=0.084 peak=3280 ppm1=3.873 ppm2=0.512
assign ( resid 51 and name HE#
)
( resid 11 and name H
) 5.6 1.1 1.1 volume=0.072 peak=3281 ppm1=7.143 ppm2=8.180
assign ( resid 174 and name HA
)
( resid 76 and name HH2
) 5.3 1.1 1.1 volume=0.047 peak=3282 ppm1=4.014 ppm2=7.391
assign ( resid 174 and name HA
)
( resid 76 and name HH2
) 5.4 1.1 1.1 volume=0.043 peak=3283 ppm1=3.983 ppm2=7.385
assign ( resid 174 and name HA
)
( resid 200 and name HD1#
) 5.3 1.1 1.1 volume=0.145 peak=3284 ppm1=4.005 ppm2=0.279
assign ( resid 8 and name HD#
)
( resid 55 and name HB#
) 6.0 1.2 1.2 volume=0.135 peak=3285 ppm1=7.133 ppm2=0.197
assign ( resid 8 and name HA
)
( resid 12 and name H
) 4.9 1.0 1.0 volume=0.078 peak=3286 ppm1=4.898 ppm2=8.582
assign ( resid 8 and name HA
)
( resid 8 and name H
or resid 11 and name H
) 4.3 0.9 0.9 volume=0.172 peak=3287 ppm1=4.900 ppm2=8.201
assign ( resid 8 and name HA
)
( resid 8 and name HD#
or resid 51 and name HE#
) 4.7 0.9 0.9 volume=0.194 peak=3288 ppm1=4.902 ppm2=7.136
assign ( resid 9 and name HA
)
( resid 9 and name HZ3
) 4.6 0.9 0.9 volume=0.118 peak=3289 ppm1=4.919 ppm2=6.934
assign ( resid 9 and name HA
)
( resid 12 and name HB#
) 4.4 0.9 0.9 volume=0.453 peak=3290 ppm1=4.937 ppm2=1.821
assign ( resid 61 and name HA
)
( resid 61 and name HG1#
or resid 61 and name HG2#
or resid 68 and name HG2#
) 3.8 0.8 0.8 volume=1.038 peak=3291 ppm1=4.775 ppm2=1.076
assign ( resid 8 and name HE#
)
( resid 51 and name HD#
or resid 60 and name HH2
or resid 60 and name HZ3
) 5.7 1.1 1.1 volume=0.075 peak=3292 ppm1=6.695 ppm2=7.541
assign ( resid 22 and name HA
)
( resid 37 and name HD#
) 5.9 1.2 1.2 volume=0.050 peak=3293 ppm1=4.878 ppm2=7.395
assign ( resid 22 and name HA
)
( resid 26 and name H
) 5.0 1.0 1.0 volume=0.069 peak=3294 ppm1=4.898 ppm2=7.874
assign ( resid 22 and name HE#
)
( resid 22 and name H
) 6.0 1.2 1.2 volume=0.045 peak=3295 ppm1=7.128 ppm2=8.770
assign ( resid 22 and name HB3
)
( resid 22 and name H
) 4.7 0.9 0.9 volume=0.103 peak=3296 ppm1=3.531 ppm2=8.741
assign ( resid 22 and name HB2
)
( resid 22 and name H
or resid 25 and name H
) 3.8 0.8 0.8 volume=0.362 peak=3297 ppm1=3.380 ppm2=8.761
assign ( resid 22 and name HA
)
( resid 23 and name H
) 4.9 1.0 1.0 volume=0.081 peak=3298 ppm1=4.876 ppm2=8.559
assign ( resid 22 and name HB3
)
( resid 19 and name HA
or resid 22 and name HA
) 5.2 1.0 1.0 volume=0.057 peak=3299 ppm1=3.495 ppm2=4.865
assign ( resid 73 and name HB2
)
( resid 74 and name H
or resid 113 and name HE#
) 4.8 1.0 1.0 volume=0.119 peak=3300 ppm1=3.524 ppm2=7.203
assign ( resid 51 and name HB2
)
( resid 51 and name HB3
) 5.3 1.1 1.1 volume=0.049 peak=3301 ppm1=3.501 ppm2=2.966
assign ( resid 51 and name HB2
)
( resid 12 and name HB#
) 5.3 1.1 1.1 volume=0.149 peak=3302 ppm1=3.491 ppm2=1.806
assign ( resid 51 and name HB2
)
( resid 48 and name HB#
or resid 52 and name HB#
) 6.1 1.2 1.2 volume=0.064 peak=3303 ppm1=3.491 ppm2=1.647
assign ( resid 51 and name HB3
)
( resid 12 and name HB#
) 5.3 1.1 1.1 volume=0.145 peak=3304 ppm1=2.942 ppm2=1.810
assign ( resid 51 and name HB3
)
( resid 12 and name HB#
) 5.4 1.1 1.1 volume=0.127 peak=3305 ppm1=2.975 ppm2=1.806
assign ( resid 51 and name HB2
)
( resid 12 and name HA
or resid 48 and name HA
) 5.0 1.0 1.0 volume=0.070 peak=3306 ppm1=3.461 ppm2=4.235
assign ( resid 51 and name HB2
)
( resid 52 and name HA
) 4.9 1.0 1.0 volume=0.076 peak=3307 ppm1=3.475 ppm2=3.608
assign ( resid 69 and name HZ
)
( resid 4 and name HG
) 5.0 1.0 1.0 volume=0.068 peak=3308 ppm1=6.679 ppm2=1.793
assign ( resid 69 and name HB2
)
( resid 68 and name HG2#
) 5.9 1.2 1.2 volume=0.075 peak=3309 ppm1=2.761 ppm2=1.072
assign ( resid 69 and name HB2
)
( resid 70 and name HG1#
) 6.4 1.3 1.3 volume=0.049 peak=3310 ppm1=2.776 ppm2=1.420
assign ( resid 69 and name HA
)
( resid 67 and name HG2#
) 6.0 1.2 1.2 volume=0.070 peak=3311 ppm1=5.093 ppm2=0.585
assign ( resid 69 and name HA
)
( resid 69 and name HB2
) 4.9 1.0 1.0 volume=0.074 peak=3312 ppm1=5.083 ppm2=2.787
assign ( resid 69 and name HB3
)
( resid 69 and name HB2
) 5.0 1.0 1.0 volume=0.067 peak=3313 ppm1=3.209 ppm2=2.770
assign ( resid 69 and name HA
)
( resid 59 and name HA2
or resid 59 and name HA3
) 4.9 1.0 1.0 volume=0.074 peak=3314 ppm1=5.098 ppm2=3.702
assign ( resid 69 and name HA
)
( resid 68 and name HA
) 5.1 1.0 1.0 volume=0.058 peak=3315 ppm1=5.107 ppm2=4.031
assign ( resid 69 and name HA
)
( resid 69 and name HE#
) 5.7 1.1 1.1 volume=0.063 peak=3316 ppm1=5.103 ppm2=6.306
assign ( resid 69 and name HB2
)
( resid 69 and name HE#
) 5.9 1.2 1.2 volume=0.053 peak=3317 ppm1=2.748 ppm2=6.314
assign ( resid 69 and name HB2
)
( resid 69 and name H
) 4.8 1.0 1.0 volume=0.087 peak=3318 ppm1=2.760 ppm2=8.120
assign ( resid 69 and name HB3
)
( resid 69 and name H
) 4.7 0.9 0.9 volume=0.100 peak=3319 ppm1=3.225 ppm2=8.152
assign ( resid 127 and name HB3
)
( resid 127 and name H
) 4.7 0.9 0.9 volume=0.094 peak=3320 ppm1=3.188 ppm2=8.086
assign ( resid 62 and name HA
)
( resid 63 and name H
) 3.7 0.7 0.7 volume=0.402 peak=3321 ppm1=5.119 ppm2=8.617
assign ( resid 62 and name HA
)
( resid 62 and name HB2
) 3.9 0.8 0.8 volume=0.317 peak=3322 ppm1=5.119 ppm2=2.371
assign ( resid 62 and name HA
)
( resid 62 and name HB3
) 4.1 0.8 0.8 volume=0.241 peak=3323 ppm1=5.119 ppm2=2.133
assign ( resid 62 and name HA
)
( resid 63 and name HB
) 4.7 0.9 0.9 volume=0.105 peak=3324 ppm1=5.111 ppm2=1.895
assign ( resid 62 and name HA
)
( resid 61 and name HG2#
or resid 63 and name HG2#
or resid 68 and name HG1#
or resid 68 and name HG2#
) 4.8 1.0 1.0 volume=0.276 peak=3325 ppm1=5.117 ppm2=1.028
assign ( resid 62 and name HA
)
( resid 67 and name HG2#
) 5.3 1.1 1.1 volume=0.149 peak=3326 ppm1=5.115 ppm2=0.599
assign ( resid 62 and name HA
)
( resid 63 and name HG1#
) 5.8 1.2 1.2 volume=0.084 peak=3327 ppm1=5.117 ppm2=0.812
assign ( resid 62 and name HA
)
( resid 63 and name HA
) 4.8 1.0 1.0 volume=0.087 peak=3328 ppm1=5.133 ppm2=4.050
assign ( resid 62 and name HA
)
( resid 68 and name H
) 4.7 0.9 0.9 volume=0.095 peak=3329 ppm1=5.129 ppm2=9.281
assign ( resid 37 and name HB3
)
( resid 29 and name HB#
or resid 41 and name HG2#
) 5.0 1.0 1.0 volume=0.202 peak=3330 ppm1=3.277 ppm2=1.431
assign ( resid 56 and name HB2
)
( resid 55 and name HB#
) 6.1 1.2 1.2 volume=0.061 peak=3331 ppm1=2.045 ppm2=0.211
assign ( resid 86 and name HA
)
( resid 36 and name HD#
) 5.8 1.2 1.2 volume=0.055 peak=3332 ppm1=3.921 ppm2=6.676
assign ( resid 86 and name HA
)
( resid 85 and name HA
) 5.1 1.0 1.0 volume=0.058 peak=3333 ppm1=3.925 ppm2=4.688
assign ( resid 176 and name HB2
)
( resid 173 and name HA
) 4.4 0.9 0.9 volume=0.148 peak=3334 ppm1=3.517 ppm2=4.169
assign ( resid 176 and name HB2
)
( resid 176 and name HA
) 4.6 0.9 0.9 volume=0.108 peak=3335 ppm1=3.555 ppm2=4.404
assign ( resid 134 and name HB3
or resid 134 and name HB2
)
( resid 134 and name HA
) 4.3 0.9 0.9 volume=0.166 peak=3336 ppm1=3.459 ppm2=4.392
assign ( resid 86 and name HB2
)
( resid 86 and name HD#
) 4.6 0.9 0.9 volume=0.226 peak=3337 ppm1=3.502 ppm2=7.338
assign ( resid 134 and name HB3
or resid 134 and name HB2
)
( resid 134 and name HD#
) 5.0 1.0 1.0 volume=0.142 peak=3338 ppm1=3.446 ppm2=7.340
assign ( resid 86 and name HB2
or resid 134 and name HB3
or resid 134 and name HB2
)
( resid 134 and name H
) 4.7 0.9 0.9 volume=0.104 peak=3339 ppm1=3.507 ppm2=8.559
assign ( resid 86 and name HB2
)
( resid 86 and name HA
) 4.4 0.9 0.9 volume=0.142 peak=3340 ppm1=3.495 ppm2=3.954
assign ( resid 176 and name HB2
)
( resid 176 and name HB3
) 3.6 0.7 0.7 volume=0.517 peak=3341 ppm1=3.499 ppm2=3.114
assign ( resid 140 and name HB2
)
( resid 140 and name HB3
) 3.5 0.7 0.7 volume=0.546 peak=3342 ppm1=3.309 ppm2=2.970
assign ( resid 98 and name HB2
)
( resid 98 and name HB3
) 3.3 0.7 0.7 volume=0.825 peak=3343 ppm1=3.185 ppm2=3.356
assign ( resid 199 and name HB2
)
( resid 199 and name HB3
) 3.4 0.7 0.7 volume=0.703 peak=3344 ppm1=3.064 ppm2=3.384
assign ( resid 176 and name HB3
)
( resid 176 and name HB2
) 3.6 0.7 0.7 volume=0.505 peak=3345 ppm1=3.117 ppm2=3.490
assign ( resid 140 and name HB3
)
( resid 140 and name HB2
) 3.5 0.7 0.7 volume=0.629 peak=3346 ppm1=2.967 ppm2=3.315
assign ( resid 140 and name HB3
)
( resid 137 and name HA
) 4.4 0.9 0.9 volume=0.146 peak=3347 ppm1=2.965 ppm2=4.252
assign ( resid 140 and name HB3
)
( resid 140 and name HE#
) 5.1 1.0 1.0 volume=0.121 peak=3348 ppm1=2.957 ppm2=6.908
assign ( resid 140 and name HB3
)
( resid 141 and name H
) 4.5 0.9 0.9 volume=0.135 peak=3349 ppm1=2.966 ppm2=8.460
assign ( resid 199 and name HB2
)
( resid 196 and name HA
or resid 199 and name HA
) 3.4 0.7 0.7 volume=0.638 peak=3350 ppm1=3.063 ppm2=4.088
assign ( resid 199 and name HB2
)
( resid 198 and name HB
) 4.6 0.9 0.9 volume=0.107 peak=3351 ppm1=3.074 ppm2=2.324
assign ( resid 199 and name HB2
)
( resid 198 and name HB
) 4.6 0.9 0.9 volume=0.119 peak=3352 ppm1=3.052 ppm2=2.325
assign ( resid 176 and name HB3
or resid 199 and name HB2
)
( resid 177 and name HG13
or resid 196 and name HB3
) 4.4 0.9 0.9 volume=0.150 peak=3353 ppm1=3.083 ppm2=1.397
assign ( resid 199 and name HB2
)
( resid 196 and name HD1#
or resid 196 and name HD2#
or resid 198 and name HG1#
or resid 202 and name HD1#
) 4.3 0.9 0.9 volume=0.488 peak=3354 ppm1=3.064 ppm2=0.889
assign ( resid 140 and name HB3
)
( resid 101 and name HG1#
or resid 101 and name HG2#
or resid 104 and name HD2#
or resid 141 and name HD1#
) 4.1 0.8 0.8 volume=0.723 peak=3355 ppm1=2.967 ppm2=1.056
assign ( resid 140 and name HB3
)
( resid 100 and name HG2#
) 5.7 1.1 1.1 volume=0.094 peak=3356 ppm1=2.976 ppm2=0.735
assign ( resid 134 and name HB3
or resid 134 and name HB2
)
( resid 131 and name HB#
) 5.3 1.1 1.1 volume=0.150 peak=3357 ppm1=3.502 ppm2=1.198
assign ( resid 86 and name HB2
)
( resid 39 and name HG2#
) 5.6 1.1 1.1 volume=0.099 peak=3358 ppm1=3.497 ppm2=1.750
assign ( resid 176 and name HB2
)
( resid 173 and name HG12
or resid 177 and name HG13
) 4.4 0.9 0.9 volume=0.151 peak=3359 ppm1=3.488 ppm2=1.397
assign ( resid 176 and name HB2
or resid 210 and name HB3
)
( resid 180 and name HB3
or resid 213 and name HB3
) 4.5 0.9 0.9 volume=0.123 peak=3360 ppm1=3.512 ppm2=2.140
assign ( resid 75 and name HB2
)
( resid 50 and name HB#
) 5.2 1.0 1.0 volume=0.160 peak=3361 ppm1=2.495 ppm2=1.442
assign ( resid 28 and name HB2
)
( resid 27 and name HB3
) 4.4 0.9 0.9 volume=0.144 peak=3362 ppm1=2.550 ppm2=1.864
assign ( resid 170 and name HB3
)
( resid 200 and name HG
or resid 204 and name HG2#
) 4.7 0.9 0.9 volume=0.142 peak=3363 ppm1=2.494 ppm2=1.823
assign ( resid 75 and name HB2
)
( resid 75 and name HB3
) 4.8 1.0 1.0 volume=0.085 peak=3364 ppm1=2.494 ppm2=3.195
assign ( resid 86 and name HE#
)
( resid 36 and name HD#
or resid 36 and name HE#
or resid 86 and name HZ
) 5.3 1.1 1.1 volume=0.147 peak=3365 ppm1=6.998 ppm2=6.672
assign ( resid 86 and name HE#
)
( resid 37 and name HA
) 5.9 1.2 1.2 volume=0.049 peak=3366 ppm1=7.000 ppm2=4.311
assign ( resid 86 and name HE#
)
( resid 36 and name HB3
) 5.8 1.2 1.2 volume=0.056 peak=3367 ppm1=6.992 ppm2=2.966
assign ( resid 86 and name HE#
)
( resid 40 and name HB3
or resid 40 and name HG
or resid 90 and name HG
or resid 159 and name HB3
) 5.6 1.1 1.1 volume=0.069 peak=3368 ppm1=7.015 ppm2=2.087
assign ( resid 86 and name HE#
)
( resid 89 and name HB3
) 5.7 1.1 1.1 volume=0.064 peak=3369 ppm1=6.995 ppm2=1.895
assign ( resid 86 and name HE#
)
( resid 163 and name HD1#
) 6.9 1.4 1.1 volume=0.058 peak=3370 ppm1=7.021 ppm2=0.230
assign ( resid 86 and name HZ
)
( resid 40 and name HG
) 5.3 1.1 1.1 volume=0.048 peak=3371 ppm1=6.666 ppm2=2.073
assign ( resid 98 and name HE#
)
( resid 89 and name HD1#
) 6.7 1.3 1.3 volume=0.074 peak=3372 ppm1=7.527 ppm2=0.187
assign ( resid 95 and name HA
or resid 176 and name HA
)
( resid 98 and name HB2
or resid 176 and name HB3
) 3.6 0.7 0.7 volume=0.481 peak=3373 ppm1=4.391 ppm2=3.159
assign ( resid 98 and name HB2
)
( resid 102 and name HG12
) 4.7 0.9 0.9 volume=0.100 peak=3374 ppm1=3.171 ppm2=1.741
assign ( resid 98 and name HE#
)
( resid 85 and name HE#
) 6.1 1.2 1.2 volume=0.085 peak=3375 ppm1=7.531 ppm2=6.463
assign ( resid 176 and name HB2
or resid 210 and name HB3
)
( resid 177 and name HA
or resid 207 and name HA3
or resid 211 and name HA
) 4.4 0.9 0.9 volume=0.153 peak=3376 ppm1=3.526 ppm2=3.851
assign ( resid 113 and name HD#
)
( resid 116 and name H
) 5.6 1.1 1.1 volume=0.069 peak=3377 ppm1=7.018 ppm2=7.953
assign ( resid 210 and name HB3
)
( resid 211 and name H
) 4.4 0.9 0.9 volume=0.151 peak=3378 ppm1=3.526 ppm2=8.468
assign ( resid 210 and name HB2
)
( resid 211 and name H
) 4.1 0.8 0.8 volume=0.240 peak=3379 ppm1=3.409 ppm2=8.485
assign ( resid 113 and name HD#
)
( resid 114 and name H
) 4.7 0.9 0.9 volume=0.201 peak=3380 ppm1=7.015 ppm2=8.883
assign ( resid 113 and name HA
)
( resid 114 and name H
) 4.5 0.9 0.9 volume=0.135 peak=3381 ppm1=3.775 ppm2=8.874
assign ( resid 113 and name HA
)
( resid 116 and name H
) 5.1 1.0 1.0 volume=0.059 peak=3382 ppm1=3.779 ppm2=7.961
assign ( resid 113 and name HA
)
( resid 73 and name HE#
) 5.6 1.1 1.1 volume=0.071 peak=3383 ppm1=3.775 ppm2=6.821
assign ( resid 72 and name HA
or resid 113 and name HA
)
( resid 73 and name HB3
or resid 75 and name HB2
) 5.2 1.0 1.0 volume=0.053 peak=3384 ppm1=3.746 ppm2=2.463
assign ( resid 127 and name HA
)
( resid 111 and name HB#
) 5.1 1.0 1.0 volume=0.192 peak=3385 ppm1=3.531 ppm2=1.580
assign ( resid 127 and name HA
)
( resid 126 and name HB3
) 5.2 1.0 1.0 volume=0.053 peak=3386 ppm1=3.550 ppm2=2.207
assign ( resid 127 and name HA
)
( resid 127 and name HB2
) 4.6 0.9 0.9 volume=0.118 peak=3387 ppm1=3.528 ppm2=2.563
assign ( resid 127 and name HA
)
( resid 127 and name HB3
) 4.8 1.0 1.0 volume=0.088 peak=3388 ppm1=3.528 ppm2=3.168
assign ( resid 127 and name HA
)
( resid 128 and name HA2
) 5.1 1.0 1.0 volume=0.060 peak=3389 ppm1=3.517 ppm2=3.698
assign ( resid 127 and name HA
)
( resid 115 and name HA2
or resid 115 and name HA3
) 5.3 1.1 1.1 volume=0.049 peak=3390 ppm1=3.522 ppm2=4.021
assign ( resid 127 and name HA
)
( resid 127 and name HE#
) 5.1 1.0 1.0 volume=0.117 peak=3391 ppm1=3.531 ppm2=7.208
assign ( resid 127 and name HA
)
( resid 128 and name H
) 4.8 1.0 1.0 volume=0.086 peak=3392 ppm1=3.532 ppm2=8.560
assign ( resid 127 and name HA
)
( resid 131 and name H
) 5.2 1.0 1.0 volume=0.052 peak=3393 ppm1=3.546 ppm2=8.700
assign ( resid 127 and name HB2
)
( resid 125 and name H
or resid 127 and name H
or resid 129 and name H
) 4.6 0.9 0.9 volume=0.108 peak=3394 ppm1=2.567 ppm2=8.037
assign ( resid 127 and name HB2
)
( resid 128 and name H
) 5.0 1.0 1.0 volume=0.067 peak=3395 ppm1=2.574 ppm2=8.561
assign ( resid 127 and name HB2
)
( resid 126 and name H
or resid 127 and name HE#
or resid 178 and name HZ2
) 5.1 1.0 1.0 volume=0.071 peak=3396 ppm1=2.598 ppm2=7.217
assign ( resid 127 and name HB2
)
( resid 127 and name HD#
or resid 178 and name HZ3
) 4.8 1.0 1.0 volume=0.117 peak=3397 ppm1=2.573 ppm2=6.468
assign ( resid 127 and name HB2
)
( resid 127 and name HD#
or resid 178 and name HZ3
) 4.9 1.0 1.0 volume=0.102 peak=3398 ppm1=2.545 ppm2=6.473
assign ( resid 127 and name HB2
)
( resid 127 and name HA
or resid 128 and name HA3
) 4.8 1.0 1.0 volume=0.090 peak=3399 ppm1=2.580 ppm2=3.538
assign ( resid 127 and name HB2
)
( resid 124 and name HB2
or resid 127 and name HB3
) 5.2 1.0 1.0 volume=0.052 peak=3400 ppm1=2.564 ppm2=3.172
assign ( resid 201 and name HB3
)
( resid 201 and name HB2
) 5.1 1.0 1.0 volume=0.064 peak=3401 ppm1=3.234 ppm2=2.609
assign ( resid 127 and name HB3
)
( resid 127 and name HA
or resid 128 and name HA3
) 4.5 0.9 0.9 volume=0.130 peak=3402 ppm1=3.198 ppm2=3.535
assign ( resid 127 and name HD#
)
( resid 124 and name HD#
) 6.7 1.3 1.3 volume=0.048 peak=3403 ppm1=6.459 ppm2=7.386
assign ( resid 54 and name HA
)
( resid 60 and name HE1
) 4.7 0.9 0.9 volume=0.106 peak=3404 ppm1=4.384 ppm2=10.277
assign ( resid 176 and name HB2
)
( resid 173 and name HG2#
or resid 180 and name HD2#
or resid 180 and name HD1#
) 4.3 0.9 0.9 volume=0.546 peak=3405 ppm1=3.513 ppm2=1.009
assign ( resid 54 and name HA
)
( resid 60 and name HD1
) 4.6 0.9 0.9 volume=0.112 peak=3406 ppm1=4.386 ppm2=7.156
assign ( resid 98 and name HZ
)
( resid 88 and name H
) 5.3 1.1 1.1 volume=0.051 peak=3407 ppm1=7.271 ppm2=9.471
assign ( resid 134 and name HZ
)
( resid 172 and name H
) 5.1 1.0 1.0 volume=0.062 peak=3408 ppm1=7.422 ppm2=7.723
assign ( resid 134 and name HB3
or resid 134 and name HB2
)
( resid 135 and name H
) 5.0 1.0 1.0 volume=0.068 peak=3409 ppm1=3.488 ppm2=8.185
assign ( resid 54 and name HA
or resid 134 and name HA
)
( resid 57 and name H
or resid 135 and name H
) 4.7 0.9 0.9 volume=0.105 peak=3410 ppm1=4.409 ppm2=8.150
assign ( resid 176 and name HB2
)
( resid 177 and name H
) 4.6 0.9 0.9 volume=0.120 peak=3411 ppm1=3.527 ppm2=7.867
assign ( resid 176 and name HB2
)
( resid 177 and name H
) 4.5 0.9 0.9 volume=0.129 peak=3412 ppm1=3.490 ppm2=7.876
assign ( resid 134 and name HE#
)
( resid 134 and name HA
) 5.9 1.2 1.2 volume=0.050 peak=3413 ppm1=7.480 ppm2=4.388
assign ( resid 171 and name HE3
)
( resid 141 and name HD1#
) 6.0 1.2 1.2 volume=0.067 peak=3414 ppm1=7.473 ppm2=1.063
assign ( resid 171 and name HE3
)
( resid 108 and name HG1#
or resid 141 and name HD2#
) 6.2 1.2 1.2 volume=0.059 peak=3415 ppm1=7.496 ppm2=0.697
assign ( resid 171 and name HE3
)
( resid 134 and name HD#
) 3.3 0.7 0.7 volume=1.570 peak=3416 ppm1=7.480 ppm2=7.297
assign ( resid 60 and name HH2
or resid 171 and name HD1
)
( resid 8 and name HD#
or resid 174 and name HD#
) 5.8 1.2 1.2 volume=0.057 peak=3417 ppm1=7.538 ppm2=7.120
assign ( resid 60 and name HH2
)
( resid 8 and name HE#
) 5.7 1.1 1.1 volume=0.063 peak=3418 ppm1=7.554 ppm2=6.720
assign ( resid 60 and name HH2
or resid 171 and name HH2
)
( resid 5 and name HA
or resid 80 and name HA
) 5.2 1.0 1.0 volume=0.052 peak=3419 ppm1=7.527 ppm2=4.360
assign ( resid 171 and name HD1
)
( resid 170 and name HG
) 5.2 1.0 1.0 volume=0.052 peak=3420 ppm1=7.533 ppm2=2.234
assign ( resid 171 and name HD1
)
( resid 170 and name HG
) 5.3 1.1 1.1 volume=0.049 peak=3421 ppm1=7.503 ppm2=2.231
assign ( resid 171 and name HD1
)
( resid 200 and name HB3
) 4.9 1.0 1.0 volume=0.076 peak=3422 ppm1=7.533 ppm2=1.639
assign ( resid 76 and name HH2
)
( resid 174 and name HA
) 5.1 1.0 1.0 volume=0.063 peak=3423 ppm1=7.419 ppm2=4.001
assign ( resid 171 and name HE3
)
( resid 167 and name HG2#
) 5.9 1.2 1.2 volume=0.075 peak=3424 ppm1=7.482 ppm2=-0.170
assign ( resid 171 and name HH2
)
( resid 109 and name HE#
) 6.2 1.2 1.2 volume=0.056 peak=3425 ppm1=7.473 ppm2=1.459
assign ( resid 171 and name HH2
)
( resid 80 and name HA
) 5.2 1.0 1.0 volume=0.052 peak=3426 ppm1=7.472 ppm2=4.372
assign ( resid 151 and name HA
)
( resid 151 and name H
or resid 152 and name H
) 3.3 0.7 0.7 volume=0.839 peak=3427 ppm1=4.556 ppm2=7.552
assign ( resid 151 and name HA
)
( resid 151 and name HG2
or resid 151 and name HG3
) 3.1 0.6 0.6 volume=1.300 peak=3428 ppm1=4.550 ppm2=2.592
assign ( resid 56 and name HD1#
or resid 84 and name HG1#
)
( resid 9 and name HZ2
or resid 56 and name H
or resid 171 and name HE3
) 2.9 0.6 0.6 volume=5.294 peak=3429 ppm1=1.293 ppm2=7.455
assign ( resid 117 and name HE#
)
( resid 61 and name HG2#
or resid 63 and name HG2#
or resid 68 and name HG1#
or resid 68 and name HG2#
) 2.9 0.6 0.6 volume=15.537 peak=3430 ppm1=1.928 ppm2=1.034
assign ( resid 117 and name HE#
)
( resid 70 and name HG1#
) 3.5 0.7 0.7 volume=4.982 peak=3431 ppm1=1.928 ppm2=1.394
assign ( resid 15 and name HE#
)
( resid 15 and name H
or resid 202 and name H
) 4.0 0.8 0.8 volume=0.808 peak=3432 ppm1=2.197 ppm2=8.494
assign ( resid 69 and name HZ
)
( resid 4 and name HD2#
) 4.4 0.9 0.9 volume=0.460 peak=3433 ppm1=6.678 ppm2=0.904
assign ( resid 76 and name HZ2
)
( resid 174 and name HD#
) 5.6 1.1 1.1 volume=0.072 peak=3434 ppm1=7.785 ppm2=7.108
assign ( resid 86 and name HB2
)
( resid 87 and name H
) 4.5 0.9 0.9 volume=0.124 peak=3435 ppm1=3.469 ppm2=8.611
assign ( resid 52 and name HB#
or resid 116 and name HB#
)
( resid 49 and name HG2#
or resid 53 and name HG1#
or resid 63 and name HG2#
or resid 68 and name HG1#
or resid 68 and name HG2#
) 3.4 0.7 0.7 volume=6.616 peak=3436 ppm1=1.598 ppm2=1.000
assign ( resid 78 and name HA
)
( resid 78 and name H
) 3.8 0.8 0.8 volume=0.357 peak=3437 ppm1=4.513 ppm2=7.726
assign ( resid 163 and name HD1#
)
( resid 161 and name H
) 5.7 1.1 1.1 volume=0.097 peak=3438 ppm1=0.274 ppm2=8.633
assign ( resid 89 and name HD1#
)
( resid 89 and name HG
) 3.4 0.7 0.7 volume=1.992 peak=3439 ppm1=0.205 ppm2=1.268
assign ( resid 39 and name HG2#
)
( resid 86 and name HB2
) 4.6 0.9 0.9 volume=0.330 peak=3440 ppm1=1.755 ppm2=3.511
assign ( resid 56 and name HD2#
or resid 166 and name HD2#
)
( resid 9 and name HZ2
or resid 208 and name H
) 3.3 0.7 0.7 volume=2.509 peak=3441 ppm1=1.051 ppm2=7.471
assign ( resid 129 and name HE#
)
( resid 133 and name HB#
) 3.8 0.8 0.8 volume=3.286 peak=3442 ppm1=2.069 ppm2=1.629
assign ( resid 122 and name HA
)
( resid 121 and name HG13
or resid 125 and name HB#
) 3.7 0.7 0.7 volume=0.663 peak=3443 ppm1=4.201 ppm2=1.703
assign ( resid 163 and name HD1#
)
( resid 166 and name HD1#
) 4.6 0.9 0.9 volume=0.974 peak=3444 ppm1=0.274 ppm2=1.190
assign ( resid 53 and name HA
)
( resid 56 and name H
) 4.1 0.8 0.8 volume=0.212 peak=3445 ppm1=3.673 ppm2=7.405
assign ( resid 187 and name HG
)
( resid 180 and name HB3
) 2.5 0.5 0.5 volume=4.797 peak=3446 ppm1=1.832 ppm2=2.076
assign ( resid 165 and name HB2
)
( resid 165 and name HB3
) 4.3 0.9 0.9 volume=0.178 peak=3447 ppm1=2.725 ppm2=3.202
assign ( resid 200 and name HA
)
( resid 203 and name HB
) 4.4 0.9 0.9 volume=0.158 peak=3448 ppm1=3.868 ppm2=2.275
assign ( resid 54 and name HE#
)
( resid 51 and name HB3
) 5.4 1.1 1.1 volume=0.134 peak=3449 ppm1=1.271 ppm2=2.951
assign ( resid 54 and name HE#
)
( resid 69 and name HB3
or resid 75 and name HB3
) 5.8 1.2 1.2 volume=0.089 peak=3450 ppm1=1.270 ppm2=3.208
assign ( resid 145 and name HA
)
( resid 145 and name H
) 4.5 0.9 0.9 volume=0.124 peak=3451 ppm1=3.923 ppm2=8.787
assign ( resid 145 and name HA
or resid 208 and name HA
)
( resid 148 and name H
or resid 209 and name H
) 4.5 0.9 0.9 volume=0.123 peak=3452 ppm1=3.897 ppm2=8.065
assign ( resid 70 and name HA
)
( resid 68 and name HG1#
or resid 68 and name HG2#
) 4.1 0.8 0.8 volume=0.679 peak=3453 ppm1=3.937 ppm2=1.009
assign ( resid 100 and name HB
)
( resid 102 and name H
) 5.1 1.0 1.0 volume=0.062 peak=3454 ppm1=1.979 ppm2=8.643
assign ( resid 204 and name HG2#
)
( resid 171 and name HE1
) 4.9 1.0 1.0 volume=0.221 peak=3455 ppm1=1.814 ppm2=10.218
assign ( resid 100 and name HG2#
)
( resid 140 and name HB3
) 6.1 1.2 1.2 volume=0.065 peak=3456 ppm1=0.710 ppm2=2.968
assign ( resid 100 and name HG13
)
( resid 97 and name HG3
) 5.1 1.0 1.0 volume=0.059 peak=3457 ppm1=1.144 ppm2=2.497
assign ( resid 108 and name HG1#
)
( resid 107 and name HG2#
) 4.2 0.8 0.8 volume=1.706 peak=3458 ppm1=0.739 ppm2=1.180
assign ( resid 178 and name HD1
)
( resid 73 and name HE#
) 5.6 1.1 1.1 volume=0.068 peak=3459 ppm1=7.621 ppm2=6.807
assign ( resid 83 and name HD1#
)
( resid 208 and name HB3
) 6.0 1.2 1.2 volume=0.068 peak=3460 ppm1=1.123 ppm2=3.020
assign ( resid 114 and name HB#
)
( resid 126 and name HB3
) 4.1 0.8 0.8 volume=0.664 peak=3461 ppm1=1.453 ppm2=2.230
assign ( resid 178 and name HH2
)
( resid 124 and name H
) 5.1 1.0 1.0 volume=0.062 peak=3462 ppm1=6.604 ppm2=8.218
assign ( resid 178 and name HB3
or resid 178 and name HB2
)
( resid 178 and name HE1
) 5.2 1.0 1.0 volume=0.051 peak=3463 ppm1=3.533 ppm2=9.539
assign ( resid 204 and name HG2#
)
( resid 167 and name HA
) 5.1 1.0 1.0 volume=0.187 peak=3464 ppm1=1.816 ppm2=3.825
assign ( resid 91 and name HA
)
( resid 93 and name H
) 5.1 1.0 1.0 volume=0.058 peak=3465 ppm1=3.640 ppm2=7.437
assign ( resid 92 and name HA2
or resid 92 and name HA3
)
( resid 93 and name HD1#
or resid 93 and name HD2#
) 5.7 1.1 1.1 volume=0.094 peak=3466 ppm1=3.905 ppm2=0.774
assign ( resid 92 and name HA2
or resid 92 and name HA3
)
( resid 91 and name HB#
) 6.0 1.2 1.2 volume=0.071 peak=3467 ppm1=3.910 ppm2=1.228
assign ( resid 93 and name HB3
)
( resid 98 and name H
) 4.9 1.0 1.0 volume=0.077 peak=3468 ppm1=0.797 ppm2=8.662
assign ( resid 93 and name HB3
)
( resid 92 and name H
) 5.2 1.0 1.0 volume=0.053 peak=3469 ppm1=0.793 ppm2=7.731
assign ( resid 93 and name HB3
)
( resid 98 and name HZ
) 4.8 1.0 1.0 volume=0.089 peak=3470 ppm1=0.798 ppm2=7.263
assign ( resid 93 and name HB3
)
( resid 98 and name HB2
) 5.1 1.0 1.0 volume=0.064 peak=3471 ppm1=0.822 ppm2=3.182
assign ( resid 4 and name HB3
or resid 93 and name HB2
)
( resid 60 and name HZ2
or resid 92 and name H
) 4.6 0.9 0.9 volume=0.106 peak=3472 ppm1=1.361 ppm2=7.740
assign ( resid 4 and name HB3
)
( resid 4 and name H
) 4.7 0.9 0.9 volume=0.101 peak=3473 ppm1=1.363 ppm2=8.185
assign ( resid 4 and name HB3
)
( resid 3 and name H
) 5.2 1.0 1.0 volume=0.056 peak=3474 ppm1=1.371 ppm2=8.626
assign ( resid 89 and name HB2
)
( resid 88 and name H
) 4.6 0.9 0.9 volume=0.118 peak=3475 ppm1=1.408 ppm2=9.527
assign ( resid 145 and name HE#
)
( resid 84 and name HB
) 3.9 0.8 0.8 volume=0.861 peak=3476 ppm1=2.138 ppm2=2.329
assign ( resid 145 and name HE#
)
( resid 140 and name HB3
) 5.7 1.1 1.1 volume=0.091 peak=3477 ppm1=2.140 ppm2=2.964
assign ( resid 145 and name HE#
)
( resid 140 and name HB2
) 5.0 1.0 1.0 volume=0.199 peak=3478 ppm1=2.139 ppm2=3.332
assign ( resid 223 and name HB3
)
( resid 222 and name H
) 5.2 1.0 1.0 volume=0.056 peak=3479 ppm1=3.521 ppm2=8.118
assign ( resid 223 and name HB2
)
( resid 222 and name H
) 4.6 0.9 0.9 volume=0.106 peak=3480 ppm1=3.347 ppm2=8.092
assign ( resid 225 and name HB3
)
( resid 225 and name HB2
) 1.8 0.1 0.4 volume=32.035 peak=3481 ppm1=2.246 ppm2=2.105
assign ( resid 225 and name HB2
)
( resid 225 and name HB3
) 1.8 0.1 0.4 volume=28.889 peak=3482 ppm1=2.113 ppm2=2.244
assign ( resid 225 and name HB2
)
( resid 225 and name HG2
or resid 225 and name HG3
) 2.3 0.5 0.5 volume=6.491 peak=3483 ppm1=2.116 ppm2=2.444
assign ( resid 225 and name HB3
)
( resid 225 and name HG2
or resid 225 and name HG3
) 2.3 0.5 0.5 volume=6.722 peak=3484 ppm1=2.247 ppm2=2.442
assign ( resid 225 and name HB2
)
( resid 225 and name HA
) 3.0 0.6 0.6 volume=1.595 peak=3485 ppm1=2.113 ppm2=4.516
assign ( resid 64 and name HA
)
( resid 63 and name HG1#
) 4.8 1.0 1.0 volume=0.260 peak=3486 ppm1=4.003 ppm2=0.809
assign ( resid 200 and name HD1#
)
( resid 196 and name HA
) 4.5 0.9 0.9 volume=0.396 peak=3487 ppm1=0.274 ppm2=4.062
assign ( resid 200 and name HD1#
)
( resid 199 and name HB3
) 5.1 1.0 1.0 volume=0.191 peak=3488 ppm1=0.272 ppm2=3.406
assign ( resid 63 and name HB
)
( resid 67 and name HA
) 5.1 1.0 1.0 volume=0.058 peak=3489 ppm1=1.878 ppm2=4.529
assign ( resid 65 and name HA
)
( resid 65 and name H
) 3.3 0.7 0.7 volume=0.832 peak=3490 ppm1=4.554 ppm2=8.578
assign ( resid 214 and name HA
)
( resid 214 and name H
) 3.3 0.7 0.7 volume=0.832 peak=3491 ppm1=4.566 ppm2=8.388
assign ( resid 214 and name HA
)
( resid 214 and name HB3
or resid 214 and name HB2
) 3.2 0.6 0.6 volume=0.978 peak=3492 ppm1=4.565 ppm2=2.821
assign ( resid 28 and name HB2
)
( resid 28 and name HB3
) 2.4 0.5 0.5 volume=5.349 peak=3493 ppm1=2.546 ppm2=2.837
assign ( resid 28 and name HB3
)
( resid 28 and name HB2
) 2.4 0.5 0.5 volume=5.915 peak=3494 ppm1=2.838 ppm2=2.540
assign ( resid 28 and name HB2
)
( resid 29 and name HA
) 4.6 0.9 0.9 volume=0.107 peak=3495 ppm1=2.551 ppm2=4.327
assign ( resid 28 and name HB2
)
( resid 27 and name HA
) 4.5 0.9 0.9 volume=0.134 peak=3496 ppm1=2.548 ppm2=4.045
assign ( resid 28 and name HB3
)
( resid 29 and name HA
) 5.1 1.0 1.0 volume=0.063 peak=3497 ppm1=2.844 ppm2=4.332
assign ( resid 28 and name HB3
)
( resid 27 and name HA
) 4.6 0.9 0.9 volume=0.112 peak=3498 ppm1=2.840 ppm2=4.042
assign ( resid 28 and name HB2
)
( resid 28 and name HA
) 3.0 0.6 0.6 volume=1.491 peak=3499 ppm1=2.546 ppm2=4.945
assign ( resid 28 and name HB3
)
( resid 28 and name HA
) 2.9 0.6 0.6 volume=1.746 peak=3500 ppm1=2.838 ppm2=4.942
assign ( resid 28 and name HB2
)
( resid 29 and name H
) 3.7 0.7 0.7 volume=0.443 peak=3501 ppm1=2.546 ppm2=7.322
assign ( resid 28 and name HB3
)
( resid 29 and name H
) 3.7 0.7 0.7 volume=0.419 peak=3502 ppm1=2.837 ppm2=7.321
assign ( resid 145 and name HE#
)
( resid 89 and name H
) 5.1 1.0 1.0 volume=0.174 peak=3503 ppm1=2.139 ppm2=9.036
assign ( resid 37 and name HE#
or resid 140 and name HE#
)
( resid 98 and name H
or resid 213 and name H
) 5.8 1.2 1.2 volume=0.054 peak=3504 ppm1=6.880 ppm2=8.618
assign ( resid 100 and name HG2#
)
( resid 103 and name HB
) 5.4 1.1 1.1 volume=0.128 peak=3505 ppm1=0.707 ppm2=4.503
assign ( resid 100 and name HG2#
)
( resid 98 and name HA
) 5.3 1.1 1.1 volume=0.144 peak=3506 ppm1=0.708 ppm2=4.419
assign ( resid 137 and name HA
)
( resid 101 and name HA
) 4.5 0.9 0.9 volume=0.122 peak=3507 ppm1=4.230 ppm2=3.783
assign ( resid 101 and name HA
)
( resid 102 and name HA
) 3.1 0.6 0.6 volume=1.194 peak=3508 ppm1=3.807 ppm2=4.049
assign ( resid 101 and name HA
)
( resid 140 and name HB2
) 3.9 0.8 0.8 volume=0.297 peak=3509 ppm1=3.809 ppm2=3.317
assign ( resid 51 and name HE#
)
( resid 51 and name HB2
) 5.7 1.1 1.1 volume=0.061 peak=3510 ppm1=7.151 ppm2=3.517
assign ( resid 51 and name HE#
)
( resid 51 and name HB3
) 5.7 1.1 1.1 volume=0.065 peak=3511 ppm1=7.165 ppm2=2.962
assign ( resid 51 and name HE#
)
( resid 51 and name HA
) 5.7 1.1 1.1 volume=0.061 peak=3512 ppm1=7.167 ppm2=3.852
assign ( resid 27 and name HA
)
( resid 28 and name HB3
) 4.1 0.8 0.8 volume=0.243 peak=3513 ppm1=4.030 ppm2=2.812
assign ( resid 27 and name HA
)
( resid 27 and name H
or resid 29 and name H
) 3.2 0.6 0.6 volume=1.006 peak=3514 ppm1=4.029 ppm2=7.352
assign ( resid 27 and name HB3
)
( resid 27 and name HD3
) 2.9 0.6 0.6 volume=1.692 peak=3515 ppm1=1.903 ppm2=3.078
assign ( resid 27 and name HB3
)
( resid 25 and name HA
or resid 27 and name HA
) 3.2 0.6 0.6 volume=1.091 peak=3516 ppm1=1.902 ppm2=4.038
assign ( resid 96 and name HB2
)
( resid 96 and name HA
) 3.1 0.6 0.6 volume=1.185 peak=3517 ppm1=1.906 ppm2=4.252
assign ( resid 27 and name HB3
)
( resid 28 and name H
) 3.7 0.7 0.7 volume=0.394 peak=3518 ppm1=1.903 ppm2=7.902
assign ( resid 96 and name HB2
)
( resid 97 and name H
) 4.2 0.8 0.8 volume=0.190 peak=3519 ppm1=1.906 ppm2=8.311
assign ( resid 96 and name HB2
)
( resid 98 and name H
) 3.9 0.8 0.8 volume=0.305 peak=3520 ppm1=1.902 ppm2=8.613
assign ( resid 28 and name HA
)
( resid 28 and name HB2
) 2.9 0.6 0.6 volume=1.942 peak=3521 ppm1=4.946 ppm2=2.542
assign ( resid 28 and name HA
)
( resid 28 and name HB3
) 2.8 0.6 0.6 volume=2.340 peak=3522 ppm1=4.946 ppm2=2.840
assign ( resid 94 and name HA
)
( resid 94 and name HB3
) 3.2 0.6 0.6 volume=0.956 peak=3523 ppm1=4.928 ppm2=3.196
assign ( resid 28 and name HA
)
( resid 27 and name HA
) 4.0 0.8 0.8 volume=0.250 peak=3524 ppm1=4.946 ppm2=4.049
assign ( resid 28 and name HA
)
( resid 29 and name HA
) 4.5 0.9 0.9 volume=0.130 peak=3525 ppm1=4.947 ppm2=4.345
assign ( resid 94 and name HA
)
( resid 94 and name H
or resid 96 and name H
) 3.7 0.7 0.7 volume=0.436 peak=3526 ppm1=4.926 ppm2=8.429
assign ( resid 94 and name HA
)
( resid 95 and name H
) 3.8 0.8 0.8 volume=0.362 peak=3527 ppm1=4.926 ppm2=8.695
assign ( resid 28 and name HB3
)
( resid 27 and name HB3
) 4.3 0.9 0.9 volume=0.181 peak=3528 ppm1=2.837 ppm2=1.898
assign ( resid 29 and name HA
)
( resid 28 and name HB3
) 4.8 1.0 1.0 volume=0.083 peak=3529 ppm1=4.335 ppm2=2.823
assign ( resid 50 and name HB#
)
( resid 46 and name HB
or resid 47 and name HB#
) 4.4 0.9 0.9 volume=0.653 peak=3530 ppm1=1.478 ppm2=2.031
assign ( resid 30 and name HA3
or resid 30 and name HA2
)
( resid 29 and name HB#
) 4.8 1.0 1.0 volume=0.263 peak=3531 ppm1=4.128 ppm2=1.470
assign ( resid 30 and name HA2
)
( resid 33 and name HG3
or resid 33 and name HG2
) 4.5 0.9 0.9 volume=0.133 peak=3532 ppm1=4.130 ppm2=2.523
assign ( resid 12 and name H
)
( resid 13 and name HA
or resid 42 and name HA3
or resid 51 and name HA
or resid 86 and name HA
or resid 92 and name HA2
or resid 92 and name HA3
or resid 103 and name HA
or resid 145 and name HA
or resid 156 and name HA
or resid 160 and name HA
or resid 197 and name HA
or resid 200 and name HA
or resid 207 and name HA3
or resid 208 and name HA
) 3.8 0.8 0.8 volume=0.380 peak=1 ppm1=8.550 ppm2=3.892
assign ( resid 12 and name H
)
( resid 17 and name HA
or resid 18 and name HA2
or resid 18 and name HA3
or resid 24 and name HB3
or resid 46 and name HA
or resid 49 and name HA
or resid 52 and name HA
or resid 67 and name HB
or resid 85 and name HB2
or resid 91 and name HA
or resid 114 and name HA
or resid 128 and name HA3
or resid 135 and name HA
or resid 139 and name HB3
or resid 140 and name HA
or resid 143 and name HA2
or resid 164 and name HD3
or resid 192 and name HA
or resid 203 and name HA
or resid 207 and name HA2
) 3.8 0.8 0.8 volume=0.386 peak=2 ppm1=8.558 ppm2=3.598
assign ( resid 12 and name H
)
( resid 13 and name HB
or resid 16 and name HB3
or resid 33 and name HB2
or resid 40 and name HG
or resid 56 and name HG
or resid 62 and name HB3
or resid 78 and name HG
or resid 90 and name HG
or resid 102 and name HB
or resid 122 and name HB3
or resid 122 and name HB2
or resid 126 and name HG
or resid 135 and name HG13
or resid 138 and name HB
or resid 141 and name HB2
or resid 141 and name HG
or resid 145 and name HE#
or resid 147 and name HB3
or resid 147 and name HB2
or resid 156 and name HB
or resid 159 and name HB3
or resid 168 and name HB
or resid 180 and name HB3
or resid 188 and name HG
or resid 196 and name HG
or resid 196 and name HB2
or resid 202 and name HB2
or resid 202 and name HG
or resid 213 and name HG
or resid 213 and name HB3
or resid 222 and name HB3
or resid 222 and name HB2
or resid 225 and name HB2
) 3.5 0.7 0.7 volume=0.550 peak=3 ppm1=8.548 ppm2=2.124
assign ( resid 12 and name H
)
( resid 27 and name HG3
or resid 52 and name HB#
or resid 102 and name HG13
or resid 110 and name HB3
or resid 111 and name HB#
or resid 116 and name HB#
or resid 137 and name HB2
or resid 137 and name HG
or resid 177 and name HG12
or resid 189 and name HG2#
or resid 197 and name HG12
or resid 200 and name HB3
or resid 219 and name HB3
or resid 221 and name HB#
or resid 228 and name HB#
) 4.2 0.8 0.8 volume=0.261 peak=4 ppm1=8.545 ppm2=1.596
assign ( resid 12 and name H
)
( resid 4 and name HB3
or resid 6 and name HG2#
or resid 13 and name HG12
or resid 19 and name HG2#
or resid 70 and name HG1#
or resid 74 and name HG13
or resid 89 and name HB2
or resid 93 and name HB2
or resid 114 and name HB#
or resid 146 and name HG2#
or resid 173 and name HG12
or resid 177 and name HG13
or resid 196 and name HB3
or resid 206 and name HG2#
or resid 212 and name HB#
or resid 218 and name HG2#
or resid 232 and name HG2#
or resid 234 and name HG2#
) 4.1 0.8 0.8 volume=0.341 peak=5 ppm1=8.556 ppm2=1.396
assign ( resid 12 and name H
)
( resid 2 and name HG1#
or resid 2 and name HG2#
or resid 7 and name HB3
or resid 17 and name HG1#
or resid 38 and name HG1#
or resid 41 and name HG1#
or resid 49 and name HG1#
or resid 53 and name HG2#
or resid 70 and name HG2#
or resid 83 and name HD1#
or resid 100 and name HG13
or resid 107 and name HG2#
or resid 118 and name HG1#
or resid 118 and name HG2#
or resid 132 and name HG1#
or resid 137 and name HD2#
or resid 166 and name HD1#
or resid 170 and name HD2#
or resid 177 and name HG2#
or resid 192 and name HG1#
or resid 192 and name HG2#
or resid 198 and name HG2#
) 4.4 0.9 0.9 volume=0.362 peak=6 ppm1=8.552 ppm2=1.157
assign ( resid 13 and name H
)
( resid 2 and name HG1#
or resid 2 and name HG2#
or resid 7 and name HB3
or resid 17 and name HG1#
or resid 38 and name HG1#
or resid 41 and name HG1#
or resid 53 and name HG2#
or resid 70 and name HG2#
or resid 83 and name HD1#
or resid 90 and name HD1#
or resid 100 and name HG13
or resid 107 and name HG2#
or resid 118 and name HG1#
or resid 118 and name HG2#
or resid 132 and name HG1#
or resid 166 and name HD1#
or resid 170 and name HD2#
or resid 177 and name HG2#
or resid 192 and name HG1#
or resid 192 and name HG2#
or resid 198 and name HG2#
) 4.7 0.9 0.9 volume=0.239 peak=7 ppm1=9.012 ppm2=1.151
assign ( resid 14 and name H
)
( resid 6 and name HB
or resid 15 and name HA
or resid 81 and name HA
or resid 82 and name HA
or resid 103 and name HB
or resid 106 and name HB
or resid 146 and name HB
or resid 187 and name HA
or resid 215 and name HA
or resid 218 and name HB
or resid 221 and name HA
or resid 227 and name HA
or resid 228 and name HA
or resid 232 and name HB
or resid 232 and name HA
or resid 236 and name HA
or resid 238 and name HA
) 4.8 1.0 1.0 volume=0.088 peak=8 ppm1=8.853 ppm2=4.471
assign ( resid 14 and name H
)
( resid 17 and name HB
or resid 49 and name HB
or resid 62 and name HB2
or resid 65 and name HB3
or resid 65 and name HB2
or resid 84 and name HB
or resid 107 and name HB
or resid 137 and name HB3
or resid 142 and name HB
or resid 222 and name HG3
) 4.4 0.9 0.9 volume=0.140 peak=9 ppm1=8.857 ppm2=2.400
assign ( resid 15 and name H
)
( resid 3 and name HA2
or resid 7 and name HA
or resid 16 and name HA
or resid 20 and name HA
or resid 25 and name HA
or resid 30 and name HA3
or resid 30 and name HA2
or resid 36 and name HA
or resid 40 and name HA
or resid 41 and name HA
or resid 55 and name HA
or resid 63 and name HA
or resid 90 and name HA
or resid 95 and name HB3
or resid 95 and name HB2
or resid 99 and name HA3
or resid 116 and name HA
or resid 129 and name HA
or resid 133 and name HA
or resid 139 and name HA
or resid 146 and name HA
or resid 158 and name HB3
or resid 158 and name HB2
or resid 162 and name HA
or resid 163 and name HA
or resid 167 and name HB
or resid 184 and name HA3
or resid 191 and name HB
or resid 196 and name HA
or resid 199 and name HA
or resid 212 and name HA
or resid 213 and name HA
or resid 216 and name HA
or resid 229 and name HA2
or resid 229 and name HA3
) 3.7 0.7 0.7 volume=0.420 peak=10 ppm1=8.526 ppm2=4.108
assign ( resid 15 and name H
)
( resid 17 and name HB
or resid 62 and name HB2
or resid 65 and name HB3
or resid 65 and name HB2
or resid 84 and name HB
or resid 107 and name HB
or resid 135 and name HB
or resid 137 and name HB3
or resid 142 and name HB
or resid 147 and name HG2
or resid 147 and name HG3
or resid 197 and name HB
or resid 198 and name HB
or resid 222 and name HG3
) 3.3 0.7 0.7 volume=0.779 peak=11 ppm1=8.511 ppm2=2.372
assign ( resid 16 and name H
)
( resid 9 and name HB3
or resid 17 and name HA
or resid 24 and name HB3
or resid 42 and name HA2
or resid 43 and name HA
or resid 46 and name HA
or resid 49 and name HA
or resid 52 and name HA
or resid 53 and name HA
or resid 60 and name HB2
or resid 77 and name HA
or resid 91 and name HA
or resid 114 and name HA
or resid 135 and name HA
or resid 139 and name HB3
or resid 140 and name HA
or resid 143 and name HA2
or resid 192 and name HA
or resid 203 and name HA
) 3.8 0.8 0.8 volume=0.365 peak=12 ppm1=8.989 ppm2=3.636
assign ( resid 16 and name H
)
( resid 17 and name HB
or resid 62 and name HB2
or resid 65 and name HB3
or resid 65 and name HB2
or resid 84 and name HB
or resid 107 and name HB
or resid 135 and name HB
or resid 137 and name HB3
or resid 142 and name HB
or resid 147 and name HG2
or resid 147 and name HG3
or resid 197 and name HB
or resid 198 and name HB
or resid 222 and name HG3
) 3.5 0.7 0.7 volume=0.602 peak=13 ppm1=8.991 ppm2=2.372
assign ( resid 16 and name H
)
( resid 7 and name HG
or resid 7 and name HB2
or resid 10 and name HB2
or resid 12 and name HB#
or resid 25 and name HB#
or resid 56 and name HB3
or resid 63 and name HB
or resid 72 and name HG3
or resid 72 and name HG2
or resid 74 and name HB
or resid 93 and name HG
or resid 96 and name HB2
or resid 121 and name HG12
or resid 166 and name HG
or resid 179 and name HG
or resid 180 and name HB2
or resid 187 and name HG
or resid 187 and name HB2
or resid 194 and name HB
or resid 200 and name HG
or resid 204 and name HG2#
or resid 213 and name HB2
or resid 219 and name HG
) 3.2 0.6 0.6 volume=1.068 peak=14 ppm1=8.989 ppm2=1.848
assign ( resid 165 and name H
)
( resid 23 and name HB#
or resid 39 and name HG2#
or resid 46 and name HG12
or resid 48 and name HB#
or resid 79 and name HG2#
or resid 90 and name HB2
or resid 96 and name HB3
or resid 121 and name HG13
or resid 125 and name HB#
or resid 156 and name HG13
or resid 159 and name HB2
or resid 159 and name HG
or resid 163 and name HB3
or resid 163 and name HG
or resid 215 and name HB#
or resid 216 and name HB#
or resid 217 and name HB#
or resid 227 and name HB2
or resid 240 and name HB2
) 3.6 0.7 0.7 volume=0.668 peak=15 ppm1=8.684 ppm2=1.712
assign ( resid 17 and name H
)
( resid 4 and name HB3
or resid 6 and name HG2#
or resid 13 and name HG12
or resid 19 and name HG2#
or resid 27 and name HG2
or resid 29 and name HB#
or resid 41 and name HG2#
or resid 50 and name HB#
or resid 70 and name HG1#
or resid 74 and name HG13
or resid 89 and name HB2
or resid 93 and name HB2
or resid 109 and name HE#
or resid 114 and name HB#
or resid 173 and name HG12
or resid 177 and name HG13
or resid 196 and name HB3
or resid 206 and name HG2#
or resid 212 and name HB#
or resid 218 and name HG2#
) 4.0 0.8 0.8 volume=0.400 peak=16 ppm1=8.664 ppm2=1.426
assign ( resid 18 and name H
)
( resid 5 and name HB
or resid 19 and name HA
or resid 22 and name HA
or resid 188 and name HA
or resid 231 and name HA
or resid 233 and name HA
) 4.3 0.9 0.9 volume=0.180 peak=17 ppm1=7.963 ppm2=4.833
assign ( resid 18 and name H
)
( resid 3 and name HA3
or resid 6 and name HA
or resid 12 and name HA
or resid 21 and name HA
or resid 35 and name HA
or resid 37 and name HA
or resid 48 and name HA
or resid 89 and name HA
or resid 96 and name HA
or resid 97 and name HA
or resid 105 and name HA
or resid 106 and name HA
or resid 110 and name HA
or resid 120 and name HA2
or resid 121 and name HA
or resid 122 and name HA
or resid 125 and name HA
or resid 137 and name HA
or resid 142 and name HA
or resid 147 and name HA
or resid 148 and name HA
or resid 150 and name HA
or resid 158 and name HA
or resid 159 and name HA
or resid 184 and name HA2
or resid 185 and name HA
or resid 206 and name HA
or resid 217 and name HA
or resid 218 and name HA
or resid 219 and name HA
or resid 220 and name HA
or resid 234 and name HB
) 3.9 0.8 0.8 volume=0.305 peak=18 ppm1=7.972 ppm2=4.273
assign ( resid 18 and name H
)
( resid 20 and name HB2
or resid 21 and name HB#
or resid 108 and name HG2#
or resid 110 and name HB3
or resid 111 and name HB#
or resid 137 and name HB2
or resid 186 and name HB#
or resid 195 and name HB#
or resid 200 and name HB2
or resid 228 and name HB#
or resid 236 and name HB#
or resid 238 and name HB#
) 4.1 0.8 0.8 volume=0.431 peak=19 ppm1=7.971 ppm2=1.541
assign ( resid 19 and name H
)
( resid 23 and name HB#
or resid 39 and name HG2#
or resid 46 and name HG12
or resid 48 and name HB#
or resid 79 and name HG2#
or resid 90 and name HB2
or resid 96 and name HB3
or resid 121 and name HG13
or resid 125 and name HB#
or resid 156 and name HG13
or resid 159 and name HB2
or resid 159 and name HG
or resid 163 and name HB3
or resid 163 and name HG
or resid 215 and name HB#
or resid 216 and name HB#
or resid 217 and name HB#
or resid 227 and name HB2
or resid 240 and name HB2
) 3.8 0.8 0.8 volume=0.531 peak=20 ppm1=8.416 ppm2=1.710
assign ( resid 21 and name H
)
( resid 23 and name HB#
or resid 39 and name HG2#
or resid 46 and name HG12
or resid 48 and name HB#
or resid 79 and name HG2#
or resid 90 and name HB2
or resid 96 and name HB3
or resid 121 and name HG13
or resid 125 and name HB#
or resid 133 and name HB#
or resid 156 and name HG13
or resid 159 and name HB2
or resid 159 and name HG
or resid 163 and name HB3
or resid 163 and name HG
or resid 215 and name HB#
or resid 216 and name HB#
or resid 217 and name HB#
or resid 240 and name HB2
) 4.1 0.8 0.8 volume=0.319 peak=21 ppm1=8.180 ppm2=1.703
assign ( resid 21 and name H
)
( resid 17 and name HB
or resid 49 and name HB
or resid 62 and name HB2
or resid 65 and name HB3
or resid 65 and name HB2
or resid 107 and name HB
or resid 122 and name HG2
or resid 137 and name HB3
or resid 142 and name HB
or resid 222 and name HG3
or resid 225 and name HG2
or resid 225 and name HG3
) 4.9 1.0 1.0 volume=0.077 peak=22 ppm1=8.170 ppm2=2.412
assign ( resid 21 and name H
)
( resid 17 and name HB
or resid 49 and name HB
or resid 62 and name HB2
or resid 65 and name HB3
or resid 65 and name HB2
or resid 107 and name HB
or resid 137 and name HB3
or resid 142 and name HB
or resid 222 and name HG3
or resid 225 and name HG2
or resid 225 and name HG3
) 4.9 1.0 1.0 volume=0.080 peak=23 ppm1=8.178 ppm2=2.407
assign ( resid 23 and name H
)
( resid 4 and name HB2
or resid 10 and name HG
or resid 10 and name HB3
or resid 16 and name HB2
or resid 20 and name HB3
or resid 43 and name HB
or resid 46 and name HB
or resid 46 and name HG13
or resid 47 and name HB#
or resid 58 and name HB
or resid 77 and name HG13
or resid 77 and name HB
or resid 100 and name HG12
or resid 100 and name HB
or resid 101 and name HB
or resid 110 and name HB2
or resid 110 and name HG
or resid 162 and name HB3
or resid 211 and name HG13
or resid 241 and name HB3
or resid 241 and name HB2
) 3.5 0.7 0.7 volume=0.610 peak=24 ppm1=8.620 ppm2=2.016
assign ( resid 23 and name H
)
( resid 5 and name HG2#
or resid 7 and name HG
or resid 7 and name HB2
or resid 10 and name HB2
or resid 25 and name HB#
or resid 27 and name HB3
or resid 33 and name HB3
or resid 56 and name HB3
or resid 63 and name HB
or resid 89 and name HB3
or resid 96 and name HB2
or resid 117 and name HE#
or resid 121 and name HG12
or resid 166 and name HG
or resid 194 and name HB
or resid 200 and name HG
or resid 213 and name HB2
or resid 219 and name HG
) 3.9 0.8 0.8 volume=0.318 peak=25 ppm1=8.614 ppm2=1.889
assign ( resid 23 and name H
or resid 157 and name H
)
( resid 10 and name HD1#
or resid 13 and name HG2#
or resid 13 and name HD1#
or resid 16 and name HD1#
or resid 16 and name HD2#
or resid 17 and name HG2#
or resid 20 and name HD2#
or resid 20 and name HD1#
or resid 40 and name HB2
or resid 43 and name HG2#
or resid 46 and name HG2#
or resid 49 and name HG2#
or resid 53 and name HG1#
or resid 58 and name HG2#
or resid 68 and name HG1#
or resid 77 and name HG2#
or resid 82 and name HD1#
or resid 87 and name HD1#
or resid 90 and name HD2#
or resid 102 and name HG2#
or resid 104 and name HD1#
or resid 107 and name HG1#
or resid 110 and name HD1#
or resid 110 and name HD2#
or resid 126 and name HD1#
or resid 126 and name HD2#
or resid 132 and name HG2#
or resid 135 and name HD1#
or resid 135 and name HG2#
or resid 141 and name HD1#
or resid 156 and name HD1#
or resid 159 and name HD1#
or resid 168 and name HG2#
or resid 173 and name HD1#
or resid 173 and name HG2#
or resid 180 and name HD2#
or resid 180 and name HD1#
or resid 188 and name HD1#
or resid 188 and name HD2#
or resid 202 and name HD2#
or resid 203 and name HG1#
or resid 206 and name HG1#
or resid 227 and name HD2#
or resid 240 and name HD1#
) 4.3 0.9 0.9 volume=0.506 peak=26 ppm1=8.606 ppm2=0.981
assign ( resid 24 and name H
)
( resid 9 and name HD1
or resid 24 and name HD1
or resid 24 and name HH2
or resid 29 and name H
or resid 98 and name HZ
or resid 98 and name HD#
or resid 117 and name H
or resid 134 and name HD#
or resid 171 and name HZ2
or resid 176 and name HZ
or resid 178 and name HZ2
or resid 192 and name H
or resid 210 and name HE#
) 3.9 0.8 0.8 volume=0.320 peak=27 ppm1=8.804 ppm2=7.282
assign ( resid 25 and name H
)
( resid 6 and name H
or resid 24 and name HE3
or resid 24 and name HZ2
or resid 49 and name H
or resid 54 and name H
or resid 105 and name HD21
or resid 165 and name HD21
or resid 176 and name HD#
or resid 178 and name HD1
) 4.3 0.9 0.9 volume=0.177 peak=28 ppm1=8.752 ppm2=7.644
assign ( resid 54 and name H
)
( resid 7 and name HG
or resid 7 and name HB2
or resid 10 and name HB2
or resid 12 and name HB#
or resid 25 and name HB#
or resid 27 and name HB3
or resid 56 and name HB3
or resid 63 and name HB
or resid 72 and name HG3
or resid 72 and name HG2
or resid 74 and name HB
or resid 89 and name HB3
or resid 93 and name HG
or resid 96 and name HB2
or resid 121 and name HG12
or resid 166 and name HG
or resid 179 and name HG
or resid 180 and name HB2
or resid 187 and name HG
or resid 187 and name HB2
or resid 194 and name HB
or resid 200 and name HG
or resid 204 and name HG2#
or resid 213 and name HB2
or resid 219 and name HG
) 3.1 0.6 0.6 volume=1.293 peak=29 ppm1=7.682 ppm2=1.853
assign ( resid 54 and name H
)
( resid 27 and name HG3
or resid 52 and name HB#
or resid 64 and name HB#
or resid 102 and name HG13
or resid 104 and name HB3
or resid 111 and name HB#
or resid 116 and name HB#
or resid 133 and name HB#
or resid 137 and name HG
or resid 177 and name HG12
or resid 189 and name HG2#
or resid 197 and name HG12
or resid 200 and name HB3
or resid 219 and name HB3
or resid 221 and name HB#
) 3.8 0.8 0.8 volume=0.505 peak=30 ppm1=7.682 ppm2=1.614
assign ( resid 54 and name H
)
( resid 6 and name HG2#
or resid 19 and name HG2#
or resid 27 and name HG2
or resid 29 and name HB#
or resid 41 and name HG2#
or resid 50 and name HB#
or resid 70 and name HG1#
or resid 74 and name HG13
or resid 78 and name HB2
or resid 89 and name HB2
or resid 109 and name HE#
or resid 114 and name HB#
or resid 135 and name HG12
or resid 196 and name HB3
or resid 206 and name HG2#
or resid 212 and name HB#
) 3.2 0.6 0.6 volume=1.627 peak=31 ppm1=7.686 ppm2=1.435
assign ( resid 38 and name H
)
( resid 41 and name HB
or resid 70 and name HB
or resid 122 and name HG3
or resid 127 and name HB2
or resid 151 and name HG2
or resid 151 and name HG3
or resid 185 and name HB
or resid 201 and name HB2
or resid 206 and name HB
) 4.1 0.8 0.8 volume=0.235 peak=32 ppm1=8.793 ppm2=2.586
assign ( resid 41 and name H
)
( resid 22 and name HD#
or resid 74 and name H
or resid 98 and name HZ
or resid 113 and name HE#
or resid 126 and name H
or resid 127 and name HE#
or resid 165 and name HD22
or resid 178 and name HZ2
or resid 184 and name H
or resid 192 and name H
or resid 210 and name HE#
) 4.1 0.8 0.8 volume=0.287 peak=33 ppm1=8.326 ppm2=7.219
assign ( resid 42 and name H
)
( resid 1 and name HE#
or resid 2 and name HB
or resid 61 and name HB
or resid 65 and name HG2
or resid 65 and name HG3
or resid 82 and name HG
or resid 118 and name HB
or resid 161 and name HB
or resid 169 and name HB
or resid 170 and name HG
or resid 173 and name HB
or resid 173 and name HG13
or resid 177 and name HB
or resid 192 and name HB
or resid 203 and name HB
or resid 225 and name HB3
or resid 230 and name HB
or resid 237 and name HB
) 4.3 0.9 0.9 volume=0.187 peak=34 ppm1=8.566 ppm2=2.248
assign ( resid 42 and name H
)
( resid 4 and name HG
or resid 23 and name HB#
or resid 27 and name HB2
or resid 39 and name HG2#
or resid 46 and name HG12
or resid 79 and name HG2#
or resid 96 and name HB3
or resid 102 and name HG12
or resid 121 and name HG13
or resid 125 and name HB#
or resid 156 and name HG13
or resid 179 and name HB2
or resid 197 and name HG13
or resid 217 and name HB#
or resid 227 and name HB3
or resid 227 and name HB2
or resid 227 and name HG
or resid 240 and name HG
or resid 240 and name HB2
or resid 240 and name HB3
) 4.3 0.9 0.9 volume=0.195 peak=35 ppm1=8.559 ppm2=1.744
assign ( resid 42 and name H
)
( resid 4 and name HD2#
or resid 7 and name HD1#
or resid 7 and name HD2#
or resid 43 and name HD1#
or resid 46 and name HG2#
or resid 46 and name HD1#
or resid 58 and name HG1#
or resid 74 and name HG2#
or resid 77 and name HD1#
or resid 78 and name HD1#
or resid 78 and name HD2#
or resid 83 and name HG2#
or resid 90 and name HD2#
or resid 107 and name HG1#
or resid 138 and name HG2#
or resid 179 and name HD2#
or resid 196 and name HD1#
or resid 196 and name HD2#
or resid 198 and name HG1#
or resid 202 and name HD1#
or resid 211 and name HG2#
or resid 211 and name HD1#
or resid 219 and name HD2#
) 4.9 1.0 1.0 volume=0.243 peak=36 ppm1=8.559 ppm2=0.895
assign ( resid 140 and name H
)
( resid 8 and name HE#
or resid 36 and name HD#
or resid 69 and name HZ
or resid 69 and name HD#
or resid 86 and name HZ
or resid 139 and name HE#
or resid 199 and name HE#
) 4.1 0.8 0.8 volume=0.337 peak=37 ppm1=8.320 ppm2=6.678
assign ( resid 123 and name H
)
( resid 36 and name HE#
or resid 178 and name HH2
) 4.2 0.8 0.8 volume=0.264 peak=38 ppm1=8.256 ppm2=6.599
assign ( resid 44 and name H
)
( resid 8 and name HD#
or resid 22 and name HE#
or resid 24 and name HZ3
or resid 51 and name HE#
or resid 60 and name HD1
or resid 113 and name HE#
or resid 140 and name HD#
or resid 146 and name H
or resid 165 and name HD22
or resid 174 and name HD#
or resid 184 and name H
) 4.1 0.8 0.8 volume=0.326 peak=39 ppm1=8.000 ppm2=7.146
assign ( resid 44 and name H
)
( resid 15 and name HE#
or resid 61 and name HB
or resid 65 and name HG2
or resid 65 and name HG3
or resid 68 and name HB
or resid 126 and name HG
or resid 126 and name HB3
or resid 156 and name HB
or resid 169 and name HB
or resid 170 and name HG
or resid 177 and name HB
or resid 180 and name HG
or resid 192 and name HB
or resid 202 and name HB2
or resid 225 and name HB3
or resid 237 and name HB
) 3.1 0.6 0.6 volume=1.356 peak=40 ppm1=8.006 ppm2=2.217
assign ( resid 44 and name H
)
( resid 10 and name HG
or resid 16 and name HB2
or resid 46 and name HB
or resid 47 and name HB#
or resid 100 and name HG12
or resid 100 and name HB
or resid 110 and name HB2
or resid 110 and name HG
or resid 162 and name HB3
or resid 172 and name HB#
or resid 179 and name HB3
or resid 211 and name HG13
or resid 219 and name HB2
) 3.9 0.8 0.8 volume=0.364 peak=41 ppm1=7.997 ppm2=1.987
assign ( resid 44 and name H
)
( resid 23 and name HB#
or resid 27 and name HB2
or resid 39 and name HG2#
or resid 46 and name HG12
or resid 48 and name HB#
or resid 79 and name HG2#
or resid 90 and name HB2
or resid 96 and name HB3
or resid 102 and name HG12
or resid 121 and name HG13
or resid 125 and name HB#
or resid 156 and name HG13
or resid 159 and name HB2
or resid 163 and name HB3
or resid 163 and name HG
or resid 216 and name HB#
or resid 217 and name HB#
or resid 227 and name HB3
or resid 227 and name HB2
or resid 240 and name HB2
) 3.6 0.7 0.7 volume=0.645 peak=42 ppm1=8.003 ppm2=1.726
assign ( resid 44 and name H
)
( resid 56 and name HD2#
or resid 61 and name HG1#
or resid 61 and name HG2#
or resid 63 and name HG2#
or resid 68 and name HG2#
or resid 77 and name HG12
or resid 82 and name HD2#
or resid 84 and name HG2#
or resid 87 and name HD2#
or resid 90 and name HD1#
or resid 100 and name HD1#
or resid 101 and name HG1#
or resid 101 and name HG2#
or resid 102 and name HD1#
or resid 102 and name HG2#
or resid 104 and name HD2#
or resid 135 and name HG2#
or resid 141 and name HD1#
or resid 142 and name HG1#
or resid 142 and name HG2#
or resid 149 and name HB#
or resid 156 and name HG2#
or resid 161 and name HG2#
or resid 166 and name HD2#
or resid 168 and name HG1#
or resid 169 and name HG1#
or resid 170 and name HD1#
or resid 180 and name HD1#
or resid 187 and name HD2#
or resid 187 and name HD1#
or resid 197 and name HD1#
or resid 203 and name HG2#
or resid 213 and name HD1#
or resid 213 and name HD2#
or resid 227 and name HD1#
or resid 230 and name HG1#
or resid 230 and name HG2#
or resid 237 and name HG1#
or resid 237 and name HG2#
or resid 240 and name HD2#
) 3.6 0.7 0.7 volume=1.423 peak=43 ppm1=8.006 ppm2=1.074
assign ( resid 44 and name H
)
( resid 17 and name HA
or resid 18 and name HA2
or resid 18 and name HA3
or resid 22 and name HB3
or resid 24 and name HB2
or resid 49 and name HA
or resid 52 and name HA
or resid 67 and name HB
or resid 73 and name HB2
or resid 74 and name HA
or resid 85 and name HB2
or resid 107 and name HA
or resid 127 and name HA
or resid 128 and name HA3
or resid 135 and name HA
or resid 143 and name HA2
or resid 164 and name HD3
or resid 178 and name HB3
or resid 178 and name HB2
or resid 192 and name HA
or resid 203 and name HA
or resid 207 and name HA2
or resid 210 and name HB3
or resid 223 and name HB3
) 4.1 0.8 0.8 volume=0.233 peak=44 ppm1=8.009 ppm2=3.560
assign ( resid 45 and name H
)
( resid 4 and name HB2
or resid 10 and name HG
or resid 16 and name HB2
or resid 46 and name HB
or resid 47 and name HB#
or resid 100 and name HG12
or resid 100 and name HB
or resid 110 and name HB2
or resid 110 and name HG
or resid 162 and name HB3
or resid 172 and name HB#
or resid 179 and name HB3
or resid 211 and name HG13
or resid 219 and name HB2
or resid 241 and name HB3
or resid 241 and name HB2
) 4.1 0.8 0.8 volume=0.264 peak=45 ppm1=9.074 ppm2=1.996
assign ( resid 47 and name H
)
( resid 12 and name HA
or resid 21 and name HA
or resid 23 and name HA
or resid 35 and name HA
or resid 48 and name HA
or resid 79 and name HB
or resid 89 and name HA
or resid 96 and name HA
or resid 97 and name HA
or resid 105 and name HA
or resid 106 and name HA
or resid 122 and name HA
or resid 137 and name HA
or resid 142 and name HA
or resid 147 and name HA
or resid 148 and name HA
or resid 150 and name HA
or resid 159 and name HA
or resid 172 and name HA
or resid 179 and name HA
or resid 181 and name HA3
or resid 181 and name HA2
or resid 201 and name HA
or resid 202 and name HA
or resid 206 and name HA
or resid 218 and name HA
or resid 219 and name HA
or resid 237 and name HA
) 4.1 0.8 0.8 volume=0.216 peak=46 ppm1=6.889 ppm2=4.228
assign ( resid 47 and name H
)
( resid 15 and name HE#
or resid 61 and name HB
or resid 65 and name HG2
or resid 65 and name HG3
or resid 68 and name HB
or resid 102 and name HB
or resid 126 and name HG
or resid 126 and name HB3
or resid 156 and name HB
or resid 169 and name HB
or resid 170 and name HG
or resid 177 and name HB
or resid 180 and name HG
or resid 192 and name HB
or resid 202 and name HB2
or resid 225 and name HB3
or resid 237 and name HB
) 3.8 0.8 0.8 volume=0.347 peak=47 ppm1=6.898 ppm2=2.215
assign ( resid 47 and name H
)
( resid 6 and name HG2#
or resid 19 and name HG2#
or resid 27 and name HG2
or resid 29 and name HB#
or resid 41 and name HG2#
or resid 50 and name HB#
or resid 70 and name HG1#
or resid 74 and name HG13
or resid 78 and name HB2
or resid 108 and name HG2#
or resid 109 and name HE#
or resid 114 and name HB#
or resid 135 and name HG12
or resid 186 and name HB#
or resid 200 and name HB2
or resid 206 and name HG2#
or resid 212 and name HB#
) 4.1 0.8 0.8 volume=0.456 peak=48 ppm1=6.892 ppm2=1.453
assign ( resid 102 and name H
)
( resid 6 and name HB
or resid 15 and name HA
or resid 67 and name HA
or resid 78 and name HA
or resid 81 and name HA
or resid 103 and name HB
or resid 106 and name HB
or resid 141 and name HA
or resid 146 and name HB
or resid 170 and name HA
or resid 187 and name HA
or resid 218 and name HB
or resid 225 and name HA
or resid 227 and name HA
or resid 228 and name HA
or resid 232 and name HA
or resid 236 and name HA
or resid 238 and name HA
) 3.6 0.7 0.7 volume=0.490 peak=49 ppm1=8.650 ppm2=4.497
assign ( resid 49 and name H
)
( resid 4 and name HG
or resid 7 and name HG
or resid 12 and name HB#
or resid 56 and name HB3
or resid 63 and name HB
or resid 72 and name HG3
or resid 72 and name HG2
or resid 74 and name HB
or resid 93 and name HG
or resid 96 and name HB2
or resid 121 and name HG12
or resid 166 and name HG
or resid 179 and name HB2
or resid 179 and name HG
or resid 180 and name HB2
or resid 187 and name HG
or resid 187 and name HB3
or resid 187 and name HB2
or resid 200 and name HG
or resid 204 and name HG2#
or resid 213 and name HB2
or resid 219 and name HG
) 3.8 0.8 0.8 volume=0.390 peak=50 ppm1=7.678 ppm2=1.836
assign ( resid 50 and name H
)
( resid 27 and name HG3
or resid 52 and name HB#
or resid 64 and name HB#
or resid 102 and name HG13
or resid 104 and name HB3
or resid 110 and name HB3
or resid 111 and name HB#
or resid 116 and name HB#
or resid 133 and name HB#
or resid 137 and name HB2
or resid 137 and name HG
or resid 177 and name HG12
or resid 189 and name HG2#
or resid 197 and name HG12
or resid 200 and name HB3
or resid 219 and name HB3
or resid 221 and name HB#
) 4.2 0.8 0.8 volume=0.256 peak=51 ppm1=8.546 ppm2=1.610
assign ( resid 50 and name H
)
( resid 4 and name HG
or resid 7 and name HG
or resid 12 and name HB#
or resid 56 and name HB3
or resid 63 and name HB
or resid 72 and name HG3
or resid 72 and name HG2
or resid 74 and name HB
or resid 93 and name HG
or resid 96 and name HB2
or resid 121 and name HG12
or resid 179 and name HB2
or resid 179 and name HG
or resid 180 and name HB2
or resid 187 and name HG
or resid 187 and name HB3
or resid 187 and name HB2
or resid 200 and name HG
or resid 204 and name HG2#
or resid 213 and name HB2
or resid 219 and name HG
) 3.9 0.8 0.8 volume=0.343 peak=52 ppm1=8.549 ppm2=1.834
assign ( resid 53 and name H
)
( resid 54 and name HA
or resid 56 and name HA
or resid 76 and name HA
or resid 79 and name HA
or resid 80 and name HA
or resid 82 and name HA
or resid 83 and name HA
or resid 87 and name HA
or resid 95 and name HA
or resid 98 and name HA
or resid 134 and name HA
or resid 165 and name HA
or resid 176 and name HA
or resid 215 and name HA
or resid 221 and name HA
or resid 222 and name HA
or resid 232 and name HB
) 4.1 0.8 0.8 volume=0.238 peak=53 ppm1=8.413 ppm2=4.400
assign ( resid 53 and name H
)
( resid 6 and name HG2#
or resid 19 and name HG2#
or resid 27 and name HG2
or resid 29 and name HB#
or resid 41 and name HG2#
or resid 50 and name HB#
or resid 70 and name HG1#
or resid 74 and name HG13
or resid 78 and name HB2
or resid 89 and name HB2
or resid 109 and name HE#
or resid 114 and name HB#
or resid 135 and name HG12
or resid 196 and name HB3
or resid 206 and name HG2#
or resid 212 and name HB#
) 3.9 0.8 0.8 volume=0.543 peak=54 ppm1=8.421 ppm2=1.437
assign ( resid 180 and name H
)
( resid 38 and name HG2#
or resid 54 and name HE#
or resid 56 and name HD1#
or resid 84 and name HG1#
or resid 89 and name HG
or resid 106 and name HG2#
or resid 121 and name HG2#
or resid 137 and name HD1#
or resid 156 and name HG12
or resid 161 and name HG1#
or resid 163 and name HB2
or resid 185 and name HG1#
or resid 185 and name HG2#
or resid 191 and name HG2#
or resid 211 and name HG12
) 3.6 0.7 0.7 volume=1.013 peak=55 ppm1=8.400 ppm2=1.292
assign ( resid 55 and name H
)
( resid 2 and name HB
or resid 38 and name HB
or resid 53 and name HB
or resid 62 and name HB2
or resid 78 and name HB3
or resid 82 and name HG
or resid 84 and name HB
or resid 118 and name HB
or resid 121 and name HB
or resid 132 and name HB
or resid 135 and name HB
or resid 147 and name HG2
or resid 147 and name HG3
or resid 161 and name HB
or resid 173 and name HB
or resid 173 and name HG13
or resid 197 and name HB
or resid 198 and name HB
or resid 202 and name HB3
or resid 203 and name HB
or resid 222 and name HG3
or resid 241 and name HG2
or resid 241 and name HG3
) 4.0 0.8 0.8 volume=0.262 peak=56 ppm1=8.444 ppm2=2.327
assign ( resid 55 and name H
)
( resid 10 and name HB3
or resid 13 and name HG13
or resid 16 and name HB3
or resid 20 and name HG
or resid 20 and name HB3
or resid 33 and name HB2
or resid 40 and name HB3
or resid 40 and name HG
or resid 43 and name HB
or resid 46 and name HG13
or resid 56 and name HB2
or resid 58 and name HB
or resid 62 and name HB3
or resid 77 and name HG13
or resid 77 and name HB
or resid 78 and name HG
or resid 90 and name HG
or resid 101 and name HB
or resid 129 and name HE#
or resid 135 and name HG13
or resid 138 and name HB
or resid 141 and name HB2
or resid 141 and name HG
or resid 145 and name HE#
or resid 159 and name HB3
or resid 162 and name HB2
or resid 168 and name HB
or resid 180 and name HB3
or resid 188 and name HG
or resid 196 and name HG
or resid 196 and name HB2
or resid 211 and name HB
or resid 213 and name HB3
or resid 225 and name HB2
) 3.8 0.8 0.8 volume=0.377 peak=57 ppm1=8.439 ppm2=2.092
assign ( resid 55 and name H
)
( resid 13 and name HB
or resid 15 and name HE#
or resid 16 and name HB3
or resid 56 and name HG
or resid 61 and name HB
or resid 62 and name HB3
or resid 68 and name HB
or resid 78 and name HG
or resid 102 and name HB
or resid 122 and name HB3
or resid 122 and name HB2
or resid 126 and name HG
or resid 126 and name HB3
or resid 145 and name HE#
or resid 147 and name HB3
or resid 147 and name HB2
or resid 156 and name HB
or resid 168 and name HB
or resid 180 and name HG
or resid 202 and name HB2
or resid 202 and name HG
or resid 213 and name HG
or resid 213 and name HB3
or resid 222 and name HB3
or resid 222 and name HB2
or resid 225 and name HB2
) 3.8 0.8 0.8 volume=0.365 peak=58 ppm1=8.457 ppm2=2.165
assign ( resid 55 and name H
)
( resid 5 and name HG2#
or resid 7 and name HG
or resid 7 and name HB2
or resid 10 and name HB2
or resid 12 and name HB#
or resid 25 and name HB#
or resid 27 and name HB3
or resid 33 and name HB3
or resid 56 and name HB3
or resid 63 and name HB
or resid 74 and name HB
or resid 89 and name HB3
or resid 93 and name HG
or resid 96 and name HB2
or resid 121 and name HG12
or resid 166 and name HG
or resid 179 and name HG
or resid 180 and name HB2
or resid 187 and name HB2
or resid 194 and name HB
or resid 200 and name HG
or resid 204 and name HG2#
or resid 213 and name HB2
or resid 219 and name HG
) 3.3 0.7 0.7 volume=0.857 peak=59 ppm1=8.431 ppm2=1.862
assign ( resid 55 and name H
)
( resid 6 and name HG2#
or resid 19 and name HG2#
or resid 27 and name HG2
or resid 29 and name HB#
or resid 41 and name HG2#
or resid 50 and name HB#
or resid 70 and name HG1#
or resid 74 and name HG13
or resid 78 and name HB2
or resid 89 and name HB2
or resid 109 and name HE#
or resid 114 and name HB#
or resid 135 and name HG12
or resid 196 and name HB3
or resid 206 and name HG2#
or resid 212 and name HB#
) 3.7 0.7 0.7 volume=0.676 peak=60 ppm1=8.432 ppm2=1.436
assign ( resid 57 and name H
)
( resid 13 and name HB
or resid 15 and name HE#
or resid 56 and name HG
or resid 61 and name HB
or resid 62 and name HB3
or resid 65 and name HG2
or resid 65 and name HG3
or resid 68 and name HB
or resid 78 and name HG
or resid 102 and name HB
or resid 122 and name HB3
or resid 122 and name HB2
or resid 126 and name HG
or resid 126 and name HB3
or resid 145 and name HE#
or resid 147 and name HB3
or resid 147 and name HB2
or resid 156 and name HB
or resid 177 and name HB
or resid 180 and name HG
or resid 202 and name HB2
or resid 202 and name HG
or resid 213 and name HG
or resid 222 and name HB3
or resid 222 and name HB2
) 4.2 0.8 0.8 volume=0.215 peak=61 ppm1=8.180 ppm2=2.177
assign ( resid 60 and name HE1
)
( resid 69 and name HB2
or resid 105 and name HB2
or resid 165 and name HB2
) 3.6 0.7 0.7 volume=0.501 peak=62 ppm1=10.289 ppm2=2.753
assign ( resid 60 and name HE1
)
( resid 5 and name HG2#
or resid 7 and name HG
or resid 7 and name HB2
or resid 10 and name HB2
or resid 25 and name HB#
or resid 27 and name HB3
or resid 33 and name HB3
or resid 56 and name HB3
or resid 63 and name HB
or resid 89 and name HB3
or resid 96 and name HB2
or resid 117 and name HE#
or resid 121 and name HG12
or resid 166 and name HG
or resid 194 and name HB
or resid 200 and name HG
or resid 213 and name HB2
or resid 219 and name HG
) 3.7 0.7 0.7 volume=0.445 peak=63 ppm1=10.285 ppm2=1.894
assign ( resid 61 and name H
)
( resid 69 and name HE#
or resid 73 and name H
) 4.1 0.8 0.8 volume=0.318 peak=64 ppm1=9.155 ppm2=6.338
assign ( resid 61 and name H
)
( resid 45 and name HA2
or resid 58 and name HA
or resid 64 and name HA
or resid 70 and name HA
or resid 73 and name HA
or resid 75 and name HA
or resid 86 and name HA
or resid 102 and name HA
or resid 104 and name HA
or resid 111 and name HA
or resid 115 and name HA2
or resid 115 and name HA3
or resid 131 and name HA
or resid 136 and name HA2
or resid 149 and name HA
or resid 174 and name HA
or resid 195 and name HA
) 3.4 0.7 0.7 volume=0.741 peak=65 ppm1=9.158 ppm2=3.980
assign ( resid 61 and name H
)
( resid 28 and name HB2
or resid 33 and name HG3
or resid 33 and name HG2
or resid 70 and name HB
or resid 75 and name HB2
or resid 97 and name HG3
or resid 127 and name HB2
or resid 129 and name HG3
or resid 145 and name HG2
or resid 145 and name HG3
or resid 151 and name HG3
or resid 170 and name HB3
or resid 185 and name HB
) 3.8 0.8 0.8 volume=0.364 peak=66 ppm1=9.160 ppm2=2.530
assign ( resid 66 and name H
or resid 86 and name H
or resid 111 and name H
)
( resid 19 and name HG2#
or resid 21 and name HB#
or resid 27 and name HG2
or resid 29 and name HB#
or resid 41 and name HG2#
or resid 50 and name HB#
or resid 74 and name HG13
or resid 78 and name HB2
or resid 108 and name HG2#
or resid 109 and name HE#
or resid 135 and name HG12
or resid 186 and name HB#
or resid 200 and name HB2
or resid 212 and name HB#
) 3.4 0.7 0.7 volume=1.172 peak=67 ppm1=8.692 ppm2=1.476
assign ( resid 67 and name H
)
( resid 5 and name HG2#
or resid 7 and name HB2
or resid 10 and name HG
or resid 10 and name HB2
or resid 16 and name HB2
or resid 25 and name HB#
or resid 27 and name HB3
or resid 33 and name HB3
or resid 63 and name HB
or resid 89 and name HB3
or resid 100 and name HG12
or resid 110 and name HB2
or resid 117 and name HE#
or resid 166 and name HG
or resid 172 and name HB#
or resid 179 and name HB3
or resid 194 and name HB
or resid 219 and name HB2
) 2.8 0.6 0.6 volume=2.438 peak=68 ppm1=8.119 ppm2=1.929
assign ( resid 222 and name H
)
( resid 4 and name HB3
or resid 6 and name HG2#
or resid 13 and name HG12
or resid 19 and name HG2#
or resid 70 and name HG1#
or resid 74 and name HG13
or resid 89 and name HB2
or resid 93 and name HB2
or resid 114 and name HB#
or resid 146 and name HG2#
or resid 173 and name HG12
or resid 177 and name HG13
or resid 196 and name HB3
or resid 206 and name HG2#
or resid 212 and name HB#
or resid 218 and name HG2#
or resid 232 and name HG2#
or resid 234 and name HG2#
) 5.0 1.0 1.0 volume=0.114 peak=69 ppm1=8.115 ppm2=1.396
assign ( resid 67 and name H
)
( resid 10 and name HD1#
or resid 13 and name HG2#
or resid 13 and name HD1#
or resid 16 and name HD1#
or resid 16 and name HD2#
or resid 17 and name HG2#
or resid 20 and name HD2#
or resid 20 and name HD1#
or resid 40 and name HB2
or resid 43 and name HG2#
or resid 49 and name HG2#
or resid 53 and name HG1#
or resid 58 and name HG2#
or resid 61 and name HG2#
or resid 63 and name HG2#
or resid 68 and name HG1#
or resid 68 and name HG2#
or resid 77 and name HG2#
or resid 82 and name HD1#
or resid 87 and name HD1#
or resid 102 and name HD1#
or resid 102 and name HG2#
or resid 104 and name HD1#
or resid 110 and name HD1#
or resid 110 and name HD2#
or resid 126 and name HD1#
or resid 126 and name HD2#
or resid 132 and name HG2#
or resid 135 and name HD1#
or resid 135 and name HG2#
or resid 141 and name HD1#
or resid 142 and name HG1#
or resid 156 and name HD1#
or resid 159 and name HD1#
or resid 166 and name HD2#
or resid 168 and name HG2#
or resid 173 and name HD1#
or resid 173 and name HG2#
or resid 180 and name HD2#
or resid 180 and name HD1#
or resid 188 and name HD1#
or resid 188 and name HD2#
or resid 202 and name HD2#
or resid 203 and name HG1#
or resid 203 and name HG2#
or resid 206 and name HG1#
or resid 227 and name HD2#
or resid 227 and name HD1#
or resid 240 and name HD1#
) 4.2 0.8 0.8 volume=0.544 peak=70 ppm1=8.117 ppm2=0.996
assign ( resid 222 and name H
)
( resid 7 and name HD1#
or resid 43 and name HD1#
or resid 46 and name HD1#
or resid 63 and name HG1#
or resid 74 and name HG2#
or resid 77 and name HD1#
or resid 78 and name HD1#
or resid 78 and name HD2#
or resid 83 and name HG2#
or resid 179 and name HD1#
or resid 179 and name HD2#
or resid 194 and name HG2#
or resid 196 and name HD1#
or resid 200 and name HD2#
or resid 202 and name HD1#
or resid 211 and name HG2#
or resid 219 and name HD1#
or resid 219 and name HD2#
) 5.6 1.1 1.1 volume=0.109 peak=71 ppm1=8.114 ppm2=0.847
assign ( resid 68 and name H
)
( resid 5 and name HG2#
or resid 7 and name HB2
or resid 10 and name HG
or resid 10 and name HB2
or resid 25 and name HB#
or resid 27 and name HB3
or resid 33 and name HB3
or resid 63 and name HB
or resid 89 and name HB3
or resid 96 and name HB2
or resid 117 and name HE#
or resid 166 and name HG
or resid 172 and name HB#
or resid 179 and name HB3
or resid 194 and name HB
or resid 219 and name HB2
) 3.7 0.7 0.7 volume=0.530 peak=72 ppm1=9.292 ppm2=1.917
assign ( resid 69 and name H
)
( resid 4 and name HB3
or resid 6 and name HG2#
or resid 13 and name HG12
or resid 19 and name HG2#
or resid 27 and name HG2
or resid 29 and name HB#
or resid 41 and name HG2#
or resid 50 and name HB#
or resid 70 and name HG1#
or resid 74 and name HG13
or resid 89 and name HB2
or resid 93 and name HB2
or resid 109 and name HE#
or resid 114 and name HB#
or resid 177 and name HG13
or resid 196 and name HB3
or resid 206 and name HG2#
or resid 212 and name HB#
or resid 218 and name HG2#
) 3.7 0.7 0.7 volume=0.723 peak=73 ppm1=8.123 ppm2=1.427
assign ( resid 69 and name H
)
( resid 2 and name HG1#
or resid 2 and name HG2#
or resid 7 and name HB3
or resid 17 and name HG1#
or resid 38 and name HG1#
or resid 41 and name HG1#
or resid 49 and name HG1#
or resid 53 and name HG2#
or resid 70 and name HG2#
or resid 74 and name HG12
or resid 83 and name HD1#
or resid 91 and name HB#
or resid 100 and name HG13
or resid 107 and name HG2#
or resid 118 and name HG1#
or resid 118 and name HG2#
or resid 121 and name HD1#
or resid 131 and name HB#
or resid 132 and name HG1#
or resid 137 and name HD2#
or resid 141 and name HB3
or resid 166 and name HD1#
or resid 169 and name HG2#
or resid 170 and name HD2#
or resid 177 and name HG2#
or resid 192 and name HG1#
or resid 192 and name HG2#
or resid 198 and name HG2#
) 3.9 0.8 0.8 volume=0.754 peak=74 ppm1=8.119 ppm2=1.170
assign ( resid 70 and name H
)
( resid 8 and name HD#
or resid 22 and name HE#
or resid 22 and name HD#
or resid 24 and name HZ3
or resid 51 and name HE#
or resid 60 and name HD1
or resid 74 and name H
or resid 113 and name HE#
or resid 126 and name H
or resid 127 and name HE#
or resid 140 and name HD#
or resid 165 and name HD22
or resid 184 and name H
) 4.4 0.9 0.9 volume=0.209 peak=75 ppm1=8.755 ppm2=7.178
assign ( resid 70 and name H
)
( resid 15 and name HE#
or resid 56 and name HG
or resid 61 and name HB
or resid 65 and name HG2
or resid 65 and name HG3
or resid 68 and name HB
or resid 102 and name HB
or resid 122 and name HB3
or resid 122 and name HB2
or resid 126 and name HG
or resid 126 and name HB3
or resid 156 and name HB
or resid 169 and name HB
or resid 170 and name HG
or resid 177 and name HB
or resid 180 and name HG
or resid 192 and name HB
or resid 202 and name HB2
or resid 213 and name HG
or resid 222 and name HB3
or resid 222 and name HB2
or resid 225 and name HB3
or resid 237 and name HB
) 4.1 0.8 0.8 volume=0.223 peak=76 ppm1=8.755 ppm2=2.208
assign ( resid 70 and name H
)
( resid 4 and name HG
or resid 7 and name HG
or resid 12 and name HB#
or resid 56 and name HB3
or resid 72 and name HG3
or resid 72 and name HG2
or resid 74 and name HB
or resid 93 and name HG
or resid 96 and name HB2
or resid 121 and name HG12
or resid 179 and name HB2
or resid 179 and name HG
or resid 180 and name HB2
or resid 187 and name HG
or resid 187 and name HB3
or resid 187 and name HB2
or resid 197 and name HG13
or resid 200 and name HG
or resid 204 and name HG2#
or resid 213 and name HB2
or resid 219 and name HG
or resid 240 and name HG
or resid 240 and name HB3
) 4.0 0.8 0.8 volume=0.299 peak=77 ppm1=8.750 ppm2=1.828
assign ( resid 131 and name H
)
( resid 22 and name HB3
or resid 24 and name HB2
or resid 51 and name HB2
or resid 73 and name HB2
or resid 74 and name HA
or resid 86 and name HB2
or resid 107 and name HA
or resid 108 and name HA
or resid 134 and name HB3
or resid 134 and name HB2
or resid 168 and name HA
or resid 176 and name HB2
or resid 178 and name HB3
or resid 178 and name HB2
or resid 186 and name HA
or resid 223 and name HB3
) 3.2 0.6 0.6 volume=0.978 peak=78 ppm1=8.726 ppm2=3.485
assign ( resid 131 and name H
)
( resid 8 and name H
or resid 20 and name H
or resid 33 and name H
or resid 46 and name H
or resid 84 and name H
or resid 91 and name H
or resid 105 and name H
or resid 106 and name H
or resid 112 and name H
or resid 123 and name H
or resid 124 and name H
or resid 135 and name H
or resid 147 and name H
or resid 163 and name H
or resid 178 and name H
or resid 193 and name H
or resid 216 and name H
or resid 217 and name H
or resid 228 and name H
or resid 239 and name H
or resid 241 and name H
) 3.9 0.8 0.8 volume=0.296 peak=79 ppm1=8.739 ppm2=8.240
assign ( resid 72 and name H
)
( resid 2 and name H
or resid 4 and name H
or resid 11 and name H
or resid 67 and name H
or resid 69 and name H
or resid 76 and name H
or resid 103 and name H
or resid 113 and name H
or resid 130 and name H
or resid 132 and name H
or resid 148 and name H
or resid 179 and name H
or resid 194 and name H
or resid 222 and name H
or resid 232 and name H
or resid 234 and name H
or resid 240 and name H
) 3.6 0.7 0.7 volume=0.468 peak=80 ppm1=6.543 ppm2=8.124
assign ( resid 72 and name H
)
( resid 4 and name HD2#
or resid 7 and name HD1#
or resid 7 and name HD2#
or resid 43 and name HD1#
or resid 46 and name HG2#
or resid 46 and name HD1#
or resid 58 and name HG1#
or resid 74 and name HG2#
or resid 77 and name HD1#
or resid 78 and name HD1#
or resid 78 and name HD2#
or resid 83 and name HG2#
or resid 90 and name HD2#
or resid 107 and name HG1#
or resid 138 and name HG2#
or resid 179 and name HD2#
or resid 196 and name HD1#
or resid 196 and name HD2#
or resid 198 and name HG1#
or resid 202 and name HD1#
or resid 211 and name HG2#
or resid 211 and name HD1#
or resid 219 and name HD2#
) 4.5 0.9 0.9 volume=0.378 peak=81 ppm1=6.545 ppm2=0.891
assign ( resid 73 and name H
)
( resid 10 and name HD1#
or resid 13 and name HG2#
or resid 16 and name HD1#
or resid 16 and name HD2#
or resid 17 and name HG2#
or resid 40 and name HB2
or resid 43 and name HG2#
or resid 49 and name HG2#
or resid 53 and name HG1#
or resid 56 and name HD2#
or resid 61 and name HG2#
or resid 63 and name HG2#
or resid 68 and name HG1#
or resid 68 and name HG2#
or resid 77 and name HG2#
or resid 82 and name HD1#
or resid 82 and name HD2#
or resid 84 and name HG2#
or resid 87 and name HD1#
or resid 87 and name HD2#
or resid 101 and name HG1#
or resid 102 and name HD1#
or resid 102 and name HG2#
or resid 104 and name HD1#
or resid 104 and name HD2#
or resid 110 and name HD2#
or resid 126 and name HD1#
or resid 126 and name HD2#
or resid 132 and name HG2#
or resid 135 and name HD1#
or resid 135 and name HG2#
or resid 141 and name HD1#
or resid 142 and name HG1#
or resid 142 and name HG2#
or resid 159 and name HD1#
or resid 166 and name HD2#
or resid 168 and name HG1#
or resid 168 and name HG2#
or resid 170 and name HD1#
or resid 173 and name HD1#
or resid 173 and name HG2#
or resid 180 and name HD2#
or resid 180 and name HD1#
or resid 188 and name HD1#
or resid 202 and name HD2#
or resid 203 and name HG1#
or resid 203 and name HG2#
or resid 206 and name HG1#
or resid 227 and name HD2#
or resid 227 and name HD1#
or resid 240 and name HD2#
or resid 240 and name HD1#
) 3.8 0.8 0.8 volume=0.953 peak=82 ppm1=6.358 ppm2=1.025
assign ( resid 73 and name H
)
( resid 4 and name HD2#
or resid 7 and name HD1#
or resid 7 and name HD2#
or resid 43 and name HD1#
or resid 46 and name HD1#
or resid 58 and name HG1#
or resid 74 and name HG2#
or resid 77 and name HD1#
or resid 78 and name HD1#
or resid 78 and name HD2#
or resid 83 and name HG2#
or resid 107 and name HG1#
or resid 138 and name HG2#
or resid 179 and name HD2#
or resid 196 and name HD1#
or resid 196 and name HD2#
or resid 198 and name HG1#
or resid 202 and name HD1#
or resid 211 and name HG2#
or resid 211 and name HD1#
or resid 219 and name HD2#
) 3.7 0.7 0.7 volume=1.317 peak=83 ppm1=6.361 ppm2=0.884
assign ( resid 73 and name H
)
( resid 4 and name HB2
or resid 10 and name HB3
or resid 13 and name HG13
or resid 16 and name HB3
or resid 20 and name HG
or resid 20 and name HB3
or resid 33 and name HB2
or resid 40 and name HB3
or resid 40 and name HG
or resid 43 and name HB
or resid 46 and name HG13
or resid 56 and name HB2
or resid 58 and name HB
or resid 77 and name HG13
or resid 77 and name HB
or resid 90 and name HG
or resid 101 and name HB
or resid 129 and name HE#
or resid 135 and name HG13
or resid 138 and name HB
or resid 141 and name HB2
or resid 141 and name HG
or resid 159 and name HB3
or resid 162 and name HB2
or resid 168 and name HB
or resid 180 and name HB3
or resid 188 and name HG
or resid 196 and name HG
or resid 196 and name HB2
or resid 211 and name HB
or resid 213 and name HB3
or resid 225 and name HB2
or resid 241 and name HB3
or resid 241 and name HB2
) 3.4 0.7 0.7 volume=0.738 peak=84 ppm1=6.367 ppm2=2.083
assign ( resid 75 and name H
)
( resid 13 and name HB
or resid 16 and name HB3
or resid 33 and name HB2
or resid 56 and name HG
or resid 62 and name HB3
or resid 68 and name HB
or resid 78 and name HG
or resid 90 and name HG
or resid 102 and name HB
or resid 122 and name HB3
or resid 122 and name HB2
or resid 126 and name HG
or resid 135 and name HG13
or resid 138 and name HB
or resid 141 and name HB2
or resid 145 and name HE#
or resid 147 and name HB3
or resid 147 and name HB2
or resid 156 and name HB
or resid 159 and name HB3
or resid 168 and name HB
or resid 180 and name HB3
or resid 188 and name HG
or resid 196 and name HG
or resid 196 and name HB2
or resid 202 and name HB2
or resid 202 and name HG
or resid 213 and name HG
or resid 213 and name HB3
or resid 222 and name HB3
or resid 222 and name HB2
or resid 225 and name HB2
) 4.2 0.8 0.8 volume=0.212 peak=85 ppm1=7.756 ppm2=2.130
assign ( resid 148 and name H
)
( resid 27 and name HA
or resid 39 and name HA
or resid 45 and name HA2
or resid 58 and name HA
or resid 64 and name HA
or resid 68 and name HA
or resid 73 and name HA
or resid 75 and name HA
or resid 102 and name HA
or resid 104 and name HA
or resid 111 and name HA
or resid 115 and name HA2
or resid 115 and name HA3
or resid 131 and name HA
or resid 136 and name HA2
or resid 149 and name HA
or resid 166 and name HA
or resid 174 and name HA
or resid 195 and name HA
or resid 226 and name HB3
or resid 226 and name HB2
) 2.7 0.5 0.5 volume=2.511 peak=86 ppm1=8.082 ppm2=4.008
assign ( resid 148 and name H
)
( resid 9 and name HB3
or resid 17 and name HA
or resid 24 and name HB3
or resid 42 and name HA2
or resid 43 and name HA
or resid 46 and name HA
or resid 49 and name HA
or resid 52 and name HA
or resid 53 and name HA
or resid 60 and name HB2
or resid 77 and name HA
or resid 91 and name HA
or resid 114 and name HA
or resid 135 and name HA
or resid 136 and name HA3
or resid 139 and name HB3
or resid 140 and name HA
or resid 192 and name HA
) 3.9 0.8 0.8 volume=0.311 peak=87 ppm1=8.082 ppm2=3.646
assign ( resid 76 and name H
)
( resid 23 and name HB#
or resid 27 and name HB2
or resid 39 and name HG2#
or resid 46 and name HG12
or resid 48 and name HB#
or resid 79 and name HG2#
or resid 90 and name HB2
or resid 96 and name HB3
or resid 121 and name HG13
or resid 125 and name HB#
or resid 156 and name HG13
or resid 159 and name HB2
or resid 163 and name HB3
or resid 163 and name HG
or resid 216 and name HB#
or resid 217 and name HB#
or resid 227 and name HB3
or resid 227 and name HB2
or resid 240 and name HB2
) 3.9 0.8 0.8 volume=0.382 peak=88 ppm1=8.115 ppm2=1.725
assign ( resid 76 and name H
)
( resid 6 and name HG2#
or resid 19 and name HG2#
or resid 27 and name HG2
or resid 29 and name HB#
or resid 41 and name HG2#
or resid 50 and name HB#
or resid 74 and name HG13
or resid 78 and name HB2
or resid 108 and name HG2#
or resid 109 and name HE#
or resid 114 and name HB#
or resid 135 and name HG12
or resid 186 and name HB#
or resid 200 and name HB2
or resid 212 and name HB#
) 3.6 0.7 0.7 volume=0.961 peak=89 ppm1=8.117 ppm2=1.467
assign ( resid 148 and name H
)
( resid 4 and name HB3
or resid 13 and name HG12
or resid 89 and name HB2
or resid 93 and name HB2
or resid 106 and name HG2#
or resid 146 and name HG2#
or resid 163 and name HB2
or resid 173 and name HG12
or resid 177 and name HG13
or resid 196 and name HB3
or resid 218 and name HG2#
or resid 232 and name HG2#
or resid 234 and name HG2#
) 4.1 0.8 0.8 volume=0.317 peak=90 ppm1=8.082 ppm2=1.352
assign ( resid 194 and name H
)
( resid 38 and name HG2#
or resid 54 and name HE#
or resid 56 and name HD1#
or resid 84 and name HG1#
or resid 89 and name HG
or resid 91 and name HB#
or resid 103 and name HG2#
or resid 121 and name HG2#
or resid 137 and name HD1#
or resid 156 and name HG12
or resid 161 and name HG1#
or resid 169 and name HG2#
or resid 185 and name HG1#
or resid 185 and name HG2#
or resid 191 and name HG2#
or resid 211 and name HG12
) 3.7 0.7 0.7 volume=0.984 peak=91 ppm1=8.129 ppm2=1.266
assign ( resid 77 and name H
)
( resid 65 and name HA
or resid 67 and name HA
or resid 78 and name HA
or resid 103 and name HB
or resid 106 and name HB
or resid 109 and name HA
or resid 118 and name HA
or resid 120 and name HA3
or resid 141 and name HA
or resid 151 and name HA
or resid 170 and name HA
or resid 214 and name HA
or resid 225 and name HA
or resid 232 and name HA
) 3.5 0.7 0.7 volume=0.546 peak=92 ppm1=8.477 ppm2=4.544
assign ( resid 79 and name H
)
( resid 13 and name HB
or resid 15 and name HE#
or resid 56 and name HG
or resid 61 and name HB
or resid 62 and name HB3
or resid 65 and name HG2
or resid 65 and name HG3
or resid 68 and name HB
or resid 78 and name HG
or resid 102 and name HB
or resid 122 and name HB3
or resid 122 and name HB2
or resid 126 and name HG
or resid 126 and name HB3
or resid 145 and name HE#
or resid 147 and name HB3
or resid 147 and name HB2
or resid 156 and name HB
or resid 170 and name HG
or resid 177 and name HB
or resid 180 and name HG
or resid 202 and name HB2
or resid 202 and name HG
or resid 213 and name HG
or resid 222 and name HB3
or resid 222 and name HB2
or resid 237 and name HB
) 3.3 0.7 0.7 volume=0.873 peak=93 ppm1=9.952 ppm2=2.183
assign ( resid 80 and name H
)
( resid 4 and name HD2#
or resid 7 and name HD1#
or resid 7 and name HD2#
or resid 43 and name HD1#
or resid 46 and name HD1#
or resid 58 and name HG1#
or resid 74 and name HG2#
or resid 77 and name HD1#
or resid 78 and name HD1#
or resid 78 and name HD2#
or resid 83 and name HG2#
or resid 107 and name HG1#
or resid 138 and name HG2#
or resid 179 and name HD2#
or resid 196 and name HD1#
or resid 196 and name HD2#
or resid 198 and name HG1#
or resid 202 and name HD1#
or resid 211 and name HG2#
or resid 211 and name HD1#
or resid 219 and name HD2#
) 3.8 0.8 0.8 volume=1.108 peak=94 ppm1=8.332 ppm2=0.888
assign ( resid 80 and name H
)
( resid 53 and name HG2#
or resid 56 and name HD2#
or resid 61 and name HG1#
or resid 77 and name HG12
or resid 82 and name HD2#
or resid 83 and name HD1#
or resid 84 and name HG2#
or resid 87 and name HD2#
or resid 90 and name HD1#
or resid 100 and name HG13
or resid 100 and name HD1#
or resid 101 and name HG1#
or resid 101 and name HG2#
or resid 104 and name HD2#
or resid 107 and name HG2#
or resid 118 and name HG1#
or resid 118 and name HG2#
or resid 142 and name HG2#
or resid 149 and name HB#
or resid 156 and name HG2#
or resid 161 and name HG2#
or resid 168 and name HG1#
or resid 169 and name HG1#
or resid 170 and name HD1#
or resid 187 and name HD2#
or resid 187 and name HD1#
or resid 192 and name HG2#
or resid 197 and name HD1#
or resid 198 and name HG2#
or resid 213 and name HD1#
or resid 213 and name HD2#
or resid 230 and name HG1#
or resid 230 and name HG2#
or resid 237 and name HG1#
or resid 237 and name HG2#
) 3.9 0.8 0.8 volume=0.880 peak=95 ppm1=8.326 ppm2=1.103
assign ( resid 80 and name H
)
( resid 4 and name HB2
or resid 10 and name HB3
or resid 13 and name HG13
or resid 20 and name HG
or resid 20 and name HB3
or resid 33 and name HB2
or resid 40 and name HB3
or resid 40 and name HG
or resid 43 and name HB
or resid 46 and name HB
or resid 46 and name HG13
or resid 56 and name HB2
or resid 58 and name HB
or resid 77 and name HG13
or resid 77 and name HB
or resid 101 and name HB
or resid 110 and name HG
or resid 129 and name HE#
or resid 135 and name HG13
or resid 138 and name HB
or resid 141 and name HG
or resid 162 and name HB2
or resid 188 and name HG
or resid 196 and name HG
or resid 211 and name HB
or resid 241 and name HB3
or resid 241 and name HB2
) 3.6 0.7 0.7 volume=0.491 peak=96 ppm1=8.342 ppm2=2.048
assign ( resid 80 and name H
)
( resid 36 and name HB3
or resid 51 and name HB3
or resid 94 and name HB2
or resid 105 and name HB3
or resid 140 and name HB3
) 3.7 0.7 0.7 volume=0.413 peak=97 ppm1=8.332 ppm2=2.960
assign ( resid 82 and name H
)
( resid 4 and name HG
or resid 12 and name HB#
or resid 27 and name HB2
or resid 39 and name HG2#
or resid 46 and name HG12
or resid 72 and name HG3
or resid 72 and name HG2
or resid 74 and name HB
or resid 93 and name HG
or resid 96 and name HB3
or resid 102 and name HG12
or resid 179 and name HB2
or resid 179 and name HG
or resid 187 and name HG
or resid 187 and name HB3
or resid 187 and name HB2
or resid 197 and name HG13
or resid 204 and name HG2#
or resid 227 and name HB3
or resid 227 and name HB2
or resid 227 and name HG
or resid 240 and name HG
or resid 240 and name HB2
or resid 240 and name HB3
) 3.2 0.6 0.6 volume=1.037 peak=98 ppm1=6.919 ppm2=1.775
assign ( resid 82 and name H
)
( resid 6 and name HG2#
or resid 19 and name HG2#
or resid 27 and name HG2
or resid 29 and name HB#
or resid 41 and name HG2#
or resid 50 and name HB#
or resid 70 and name HG1#
or resid 74 and name HG13
or resid 78 and name HB2
or resid 89 and name HB2
or resid 108 and name HG2#
or resid 109 and name HE#
or resid 114 and name HB#
or resid 135 and name HG12
or resid 206 and name HG2#
or resid 212 and name HB#
) 4.2 0.8 0.8 volume=0.349 peak=99 ppm1=6.905 ppm2=1.445
assign ( resid 82 and name H
)
( resid 4 and name HD2#
or resid 7 and name HD1#
or resid 7 and name HD2#
or resid 43 and name HD1#
or resid 46 and name HD1#
or resid 58 and name HG1#
or resid 63 and name HG1#
or resid 74 and name HG2#
or resid 77 and name HD1#
or resid 78 and name HD1#
or resid 78 and name HD2#
or resid 83 and name HG2#
or resid 179 and name HD2#
or resid 196 and name HD1#
or resid 198 and name HG1#
or resid 202 and name HD1#
or resid 211 and name HG2#
or resid 219 and name HD1#
or resid 219 and name HD2#
) 3.6 0.7 0.7 volume=1.399 peak=100 ppm1=6.921 ppm2=0.868
assign ( resid 83 and name H
)
( resid 40 and name HD1#
or resid 80 and name HG2#
or resid 138 and name HG1#
or resid 194 and name HG1#
) 5.0 1.0 1.0 volume=0.209 peak=101 ppm1=7.947 ppm2=0.462
assign ( resid 83 and name H
)
( resid 33 and name HG3
or resid 33 and name HG2
or resid 49 and name HB
or resid 73 and name HB3
or resid 75 and name HB2
or resid 86 and name HB3
or resid 90 and name HB3
or resid 122 and name HG2
or resid 129 and name HG3
or resid 145 and name HG2
or resid 145 and name HG3
or resid 170 and name HB3
or resid 222 and name HG2
or resid 225 and name HG2
or resid 225 and name HG3
) 3.6 0.7 0.7 volume=0.523 peak=102 ppm1=7.953 ppm2=2.469
assign ( resid 87 and name H
)
( resid 73 and name HD#
or resid 76 and name HD1
or resid 86 and name HE#
or resid 113 and name HD#
or resid 160 and name HD#
or resid 199 and name HD#
or resid 210 and name HZ
) 3.7 0.7 0.7 volume=0.670 peak=103 ppm1=8.616 ppm2=7.038
assign ( resid 87 and name H
)
( resid 74 and name HD1#
or resid 93 and name HD1#
or resid 93 and name HD2#
or resid 93 and name HB3
or resid 100 and name HG2#
or resid 108 and name HG1#
or resid 177 and name HD1#
) 4.2 0.8 0.8 volume=0.425 peak=104 ppm1=8.621 ppm2=0.745
assign ( resid 88 and name H
)
( resid 3 and name HA3
or resid 6 and name HA
or resid 12 and name HA
or resid 21 and name HA
or resid 23 and name HA
or resid 35 and name HA
or resid 37 and name HA
or resid 48 and name HA
or resid 89 and name HA
or resid 96 and name HA
or resid 97 and name HA
or resid 105 and name HA
or resid 106 and name HA
or resid 110 and name HA
or resid 120 and name HA2
or resid 121 and name HA
or resid 122 and name HA
or resid 125 and name HA
or resid 137 and name HA
or resid 142 and name HA
or resid 147 and name HA
or resid 148 and name HA
or resid 150 and name HA
or resid 158 and name HA
or resid 159 and name HA
or resid 184 and name HA2
or resid 185 and name HA
or resid 206 and name HA
or resid 217 and name HA
or resid 218 and name HA
or resid 219 and name HA
or resid 220 and name HA
or resid 234 and name HB
or resid 237 and name HA
) 4.3 0.9 0.9 volume=0.174 peak=105 ppm1=9.486 ppm2=4.271
assign ( resid 89 and name H
)
( resid 63 and name HG1#
or resid 93 and name HD1#
or resid 93 and name HD2#
or resid 93 and name HB3
or resid 108 and name HG1#
or resid 177 and name HD1#
or resid 179 and name HD1#
or resid 194 and name HG2#
or resid 200 and name HD2#
) 4.6 0.9 0.9 volume=0.273 peak=106 ppm1=9.039 ppm2=0.781
assign ( resid 90 and name H
)
( resid 9 and name HB3
or resid 14 and name HA2
or resid 14 and name HA3
or resid 24 and name HB3
or resid 42 and name HA2
or resid 43 and name HA
or resid 46 and name HA
or resid 53 and name HA
or resid 59 and name HA2
or resid 59 and name HA3
or resid 60 and name HB2
or resid 77 and name HA
or resid 81 and name HD3
or resid 81 and name HD2
or resid 91 and name HA
or resid 128 and name HA2
or resid 132 and name HA
or resid 136 and name HA3
or resid 140 and name HA
) 4.1 0.8 0.8 volume=0.234 peak=107 ppm1=7.827 ppm2=3.679
assign ( resid 90 and name H
)
( resid 93 and name HD1#
or resid 93 and name HD2#
or resid 93 and name HB3
or resid 108 and name HG1#
or resid 177 and name HD1#
or resid 179 and name HD1#
or resid 194 and name HG2#
or resid 200 and name HD2#
) 4.7 0.9 0.9 volume=0.247 peak=108 ppm1=7.835 ppm2=0.774
assign ( resid 93 and name H
)
( resid 9 and name HD1
or resid 24 and name HD1
or resid 24 and name HH2
or resid 29 and name H
or resid 98 and name HZ
or resid 98 and name HD#
or resid 117 and name H
or resid 134 and name HD#
or resid 171 and name HZ2
or resid 176 and name HZ
or resid 178 and name HZ2
or resid 192 and name H
) 4.2 0.8 0.8 volume=0.211 peak=109 ppm1=7.438 ppm2=7.294
assign ( resid 95 and name H
)
( resid 63 and name HG1#
or resid 93 and name HD1#
or resid 93 and name HD2#
or resid 93 and name HB3
or resid 108 and name HG1#
or resid 177 and name HD1#
or resid 179 and name HD1#
or resid 194 and name HG2#
or resid 200 and name HD2#
or resid 219 and name HD1#
) 5.2 1.0 1.0 volume=0.133 peak=110 ppm1=8.703 ppm2=0.790
assign ( resid 95 and name H
)
( resid 9 and name HB2
or resid 11 and name HA2
or resid 11 and name HA3
or resid 22 and name HB2
or resid 85 and name HB3
or resid 96 and name HD2
or resid 96 and name HD3
or resid 98 and name HB3
or resid 113 and name HB3
or resid 113 and name HB2
or resid 138 and name HA
or resid 143 and name HA3
or resid 152 and name HD2
or resid 168 and name HA
or resid 199 and name HB3
or resid 210 and name HB2
or resid 220 and name HD2
or resid 220 and name HD3
or resid 223 and name HB2
) 4.4 0.9 0.9 volume=0.140 peak=111 ppm1=8.699 ppm2=3.391
assign ( resid 96 and name H
)
( resid 56 and name HD2#
or resid 61 and name HG1#
or resid 61 and name HG2#
or resid 63 and name HG2#
or resid 68 and name HG2#
or resid 77 and name HG12
or resid 82 and name HD2#
or resid 83 and name HD1#
or resid 84 and name HG2#
or resid 87 and name HD2#
or resid 90 and name HD1#
or resid 100 and name HD1#
or resid 101 and name HG1#
or resid 101 and name HG2#
or resid 102 and name HD1#
or resid 104 and name HD2#
or resid 118 and name HG2#
or resid 142 and name HG1#
or resid 142 and name HG2#
or resid 149 and name HB#
or resid 156 and name HG2#
or resid 161 and name HG2#
or resid 166 and name HD2#
or resid 168 and name HG1#
or resid 169 and name HG1#
or resid 170 and name HD1#
or resid 187 and name HD2#
or resid 187 and name HD1#
or resid 197 and name HD1#
or resid 203 and name HG2#
or resid 213 and name HD1#
or resid 213 and name HD2#
or resid 227 and name HD1#
or resid 230 and name HG1#
or resid 230 and name HG2#
or resid 237 and name HG1#
or resid 237 and name HG2#
or resid 240 and name HD2#
) 6.2 1.2 1.2 volume=0.054 peak=112 ppm1=8.412 ppm2=1.080
assign ( resid 96 and name H
)
( resid 93 and name HD1#
or resid 93 and name HD2#
or resid 93 and name HB3
or resid 100 and name HG2#
or resid 108 and name HG1#
or resid 177 and name HD1#
or resid 179 and name HD1#
or resid 194 and name HG2#
or resid 200 and name HD2#
) 5.8 1.2 1.2 volume=0.070 peak=113 ppm1=8.412 ppm2=0.764
assign ( resid 98 and name H
)
( resid 3 and name HA2
or resid 10 and name HA
or resid 16 and name HA
or resid 20 and name HA
or resid 30 and name HA3
or resid 30 and name HA2
or resid 36 and name HA
or resid 40 and name HA
or resid 90 and name HA
or resid 93 and name HA
or resid 95 and name HB3
or resid 95 and name HB2
or resid 99 and name HA3
or resid 116 and name HA
or resid 124 and name HA
or resid 126 and name HA
or resid 139 and name HA
or resid 158 and name HB3
or resid 158 and name HB2
or resid 162 and name HA
or resid 163 and name HA
or resid 167 and name HB
or resid 173 and name HA
or resid 184 and name HA3
or resid 198 and name HA
or resid 201 and name HA
or resid 202 and name HA
or resid 204 and name HA
or resid 212 and name HA
or resid 213 and name HA
or resid 224 and name HA2
or resid 224 and name HA3
or resid 229 and name HA2
or resid 229 and name HA3
) 3.1 0.6 0.6 volume=1.185 peak=114 ppm1=8.641 ppm2=4.148
assign ( resid 99 and name H
)
( resid 93 and name HD1#
or resid 93 and name HD2#
or resid 93 and name HB3
or resid 100 and name HG2#
or resid 108 and name HG1#
or resid 177 and name HD1#
or resid 179 and name HD1#
or resid 194 and name HG2#
or resid 200 and name HD2#
) 5.0 1.0 1.0 volume=0.166 peak=115 ppm1=8.328 ppm2=0.764
assign ( resid 100 and name H
)
( resid 4 and name HG
or resid 12 and name HB#
or resid 27 and name HB2
or resid 39 and name HG2#
or resid 46 and name HG12
or resid 72 and name HG3
or resid 72 and name HG2
or resid 93 and name HG
or resid 96 and name HB3
or resid 102 and name HG12
or resid 156 and name HG13
or resid 179 and name HB2
or resid 187 and name HG
or resid 187 and name HB3
or resid 197 and name HG13
or resid 204 and name HG2#
or resid 217 and name HB#
or resid 227 and name HB3
or resid 227 and name HB2
or resid 227 and name HG
or resid 240 and name HG
or resid 240 and name HB2
or resid 240 and name HB3
) 4.6 0.9 0.9 volume=0.120 peak=116 ppm1=7.891 ppm2=1.768
assign ( resid 101 and name H
)
( resid 9 and name HD1
or resid 24 and name HH2
or resid 27 and name H
or resid 29 and name H
or resid 37 and name HD#
or resid 86 and name HD#
or resid 98 and name HD#
or resid 117 and name H
or resid 118 and name H
or resid 134 and name HD#
or resid 171 and name HZ2
or resid 176 and name HZ
) 4.4 0.9 0.9 volume=0.169 peak=117 ppm1=7.792 ppm2=7.329
assign ( resid 103 and name H
)
( resid 4 and name HB2
or resid 10 and name HG
or resid 16 and name HB2
or resid 43 and name HB
or resid 46 and name HB
or resid 47 and name HB#
or resid 77 and name HG13
or resid 77 and name HB
or resid 100 and name HG12
or resid 100 and name HB
or resid 110 and name HB2
or resid 110 and name HG
or resid 162 and name HB3
or resid 211 and name HG13
or resid 241 and name HB3
or resid 241 and name HB2
) 3.6 0.7 0.7 volume=0.489 peak=118 ppm1=8.113 ppm2=2.007
assign ( resid 103 and name H
)
( resid 74 and name HD1#
or resid 93 and name HD1#
or resid 93 and name HD2#
or resid 100 and name HG2#
or resid 108 and name HG1#
or resid 177 and name HD1#
) 4.7 0.9 0.9 volume=0.288 peak=119 ppm1=8.110 ppm2=0.735
assign ( resid 105 and name H
)
( resid 36 and name H
or resid 39 and name H
or resid 58 and name H
or resid 60 and name HZ2
or resid 75 and name H
or resid 76 and name HZ2
or resid 92 and name H
or resid 101 and name H
or resid 108 and name H
or resid 159 and name H
or resid 162 and name H
or resid 172 and name H
or resid 189 and name H
or resid 191 and name H
) 4.3 0.9 0.9 volume=0.180 peak=120 ppm1=8.216 ppm2=7.765
assign ( resid 105 and name H
)
( resid 6 and name HB
or resid 65 and name HA
or resid 67 and name HA
or resid 78 and name HA
or resid 81 and name HA
or resid 103 and name HB
or resid 106 and name HB
or resid 118 and name HA
or resid 120 and name HA3
or resid 141 and name HA
or resid 151 and name HA
or resid 170 and name HA
or resid 187 and name HA
or resid 225 and name HA
or resid 227 and name HA
or resid 228 and name HA
or resid 232 and name HA
or resid 236 and name HA
or resid 238 and name HA
) 3.7 0.7 0.7 volume=0.438 peak=121 ppm1=8.217 ppm2=4.513
assign ( resid 106 and name H
)
( resid 13 and name HB
or resid 16 and name HB3
or resid 33 and name HB2
or resid 56 and name HG
or resid 62 and name HB3
or resid 68 and name HB
or resid 78 and name HG
or resid 90 and name HG
or resid 102 and name HB
or resid 122 and name HB3
or resid 122 and name HB2
or resid 126 and name HG
or resid 135 and name HG13
or resid 141 and name HB2
or resid 145 and name HE#
or resid 147 and name HB3
or resid 147 and name HB2
or resid 156 and name HB
or resid 159 and name HB3
or resid 168 and name HB
or resid 180 and name HB3
or resid 180 and name HG
or resid 188 and name HG
or resid 196 and name HB2
or resid 202 and name HB2
or resid 202 and name HG
or resid 213 and name HG
or resid 213 and name HB3
or resid 222 and name HB3
or resid 222 and name HB2
or resid 225 and name HB2
) 4.1 0.8 0.8 volume=0.218 peak=122 ppm1=8.254 ppm2=2.134
assign ( resid 106 and name H
)
( resid 17 and name HB
or resid 49 and name HB
or resid 65 and name HB3
or resid 65 and name HB2
or resid 86 and name HB3
or resid 90 and name HB3
or resid 107 and name HB
or resid 122 and name HG2
or resid 137 and name HB3
or resid 142 and name HB
or resid 222 and name HG3
or resid 225 and name HG2
or resid 225 and name HG3
) 4.1 0.8 0.8 volume=0.243 peak=123 ppm1=8.265 ppm2=2.418
assign ( resid 106 and name H
)
( resid 17 and name HA
or resid 18 and name HA2
or resid 18 and name HA3
or resid 22 and name HB3
or resid 24 and name HB2
or resid 67 and name HB
or resid 73 and name HB2
or resid 74 and name HA
or resid 85 and name HB2
or resid 86 and name HB2
or resid 107 and name HA
or resid 127 and name HA
or resid 128 and name HA3
or resid 135 and name HA
or resid 143 and name HA2
or resid 164 and name HD3
or resid 176 and name HB2
or resid 178 and name HB3
or resid 178 and name HB2
or resid 203 and name HA
or resid 207 and name HA2
or resid 210 and name HB3
or resid 223 and name HB3
) 4.2 0.8 0.8 volume=0.206 peak=124 ppm1=8.251 ppm2=3.553
assign ( resid 106 and name H
)
( resid 105 and name HD22
) 4.2 0.8 0.8 volume=0.200 peak=125 ppm1=8.253 ppm2=5.910
assign ( resid 108 and name H
)
( resid 36 and name HB3
or resid 36 and name HB2
or resid 51 and name HB3
or resid 94 and name HB2
or resid 105 and name HB3
or resid 140 and name HB3
or resid 239 and name HB3
) 4.1 0.8 0.8 volume=0.226 peak=126 ppm1=7.767 ppm2=2.956
assign ( resid 108 and name H
)
( resid 4 and name HB2
or resid 10 and name HB3
or resid 13 and name HG13
or resid 20 and name HG
or resid 20 and name HB3
or resid 33 and name HB2
or resid 40 and name HB3
or resid 40 and name HG
or resid 43 and name HB
or resid 46 and name HB
or resid 46 and name HG13
or resid 56 and name HB2
or resid 58 and name HB
or resid 77 and name HG13
or resid 77 and name HB
or resid 101 and name HB
or resid 110 and name HG
or resid 129 and name HE#
or resid 135 and name HG13
or resid 138 and name HB
or resid 141 and name HG
or resid 162 and name HB2
or resid 188 and name HG
or resid 196 and name HG
or resid 211 and name HB
or resid 241 and name HB3
or resid 241 and name HB2
) 3.8 0.8 0.8 volume=0.360 peak=127 ppm1=7.751 ppm2=2.048
assign ( resid 109 and name H
)
( resid 9 and name HB3
or resid 14 and name HA2
or resid 14 and name HA3
or resid 42 and name HA2
or resid 43 and name HA
or resid 53 and name HA
or resid 59 and name HA2
or resid 59 and name HA3
or resid 60 and name HB2
or resid 77 and name HA
or resid 81 and name HD3
or resid 81 and name HD2
or resid 91 and name HA
or resid 128 and name HA2
or resid 132 and name HA
or resid 136 and name HA3
) 3.7 0.7 0.7 volume=0.413 peak=128 ppm1=7.569 ppm2=3.695
assign ( resid 109 and name H
)
( resid 4 and name HB2
or resid 10 and name HB3
or resid 13 and name HG13
or resid 16 and name HB2
or resid 20 and name HG
or resid 20 and name HB3
or resid 43 and name HB
or resid 46 and name HB
or resid 46 and name HG13
or resid 47 and name HB#
or resid 58 and name HB
or resid 77 and name HG13
or resid 77 and name HB
or resid 100 and name HG12
or resid 100 and name HB
or resid 101 and name HB
or resid 110 and name HB2
or resid 110 and name HG
or resid 162 and name HB3
or resid 162 and name HB2
or resid 211 and name HG13
or resid 241 and name HB3
or resid 241 and name HB2
) 3.1 0.6 0.6 volume=1.244 peak=129 ppm1=7.570 ppm2=2.020
assign ( resid 109 and name H
)
( resid 10 and name HD1#
or resid 13 and name HG2#
or resid 13 and name HD1#
or resid 16 and name HD1#
or resid 16 and name HD2#
or resid 17 and name HG2#
or resid 20 and name HD2#
or resid 20 and name HD1#
or resid 40 and name HB2
or resid 43 and name HG2#
or resid 46 and name HG2#
or resid 49 and name HG2#
or resid 53 and name HG1#
or resid 58 and name HG2#
or resid 63 and name HG2#
or resid 68 and name HG1#
or resid 77 and name HG2#
or resid 82 and name HD1#
or resid 87 and name HD1#
or resid 90 and name HD2#
or resid 102 and name HD1#
or resid 102 and name HG2#
or resid 104 and name HD1#
or resid 110 and name HD1#
or resid 110 and name HD2#
or resid 126 and name HD1#
or resid 126 and name HD2#
or resid 132 and name HG2#
or resid 135 and name HD1#
or resid 135 and name HG2#
or resid 141 and name HD1#
or resid 156 and name HD1#
or resid 159 and name HD1#
or resid 168 and name HG2#
or resid 173 and name HD1#
or resid 173 and name HG2#
or resid 180 and name HD2#
or resid 180 and name HD1#
or resid 188 and name HD1#
or resid 188 and name HD2#
or resid 202 and name HD2#
or resid 203 and name HG1#
or resid 206 and name HG1#
or resid 227 and name HD2#
or resid 227 and name HD1#
or resid 240 and name HD1#
) 3.8 0.8 0.8 volume=0.955 peak=130 ppm1=7.564 ppm2=0.986
assign ( resid 110 and name H
)
( resid 27 and name HA
or resid 39 and name HA
or resid 45 and name HA2
or resid 58 and name HA
or resid 64 and name HA
or resid 68 and name HA
or resid 73 and name HA
or resid 75 and name HA
or resid 102 and name HA
or resid 104 and name HA
or resid 111 and name HA
or resid 115 and name HA2
or resid 115 and name HA3
or resid 131 and name HA
or resid 136 and name HA2
or resid 149 and name HA
or resid 166 and name HA
or resid 174 and name HA
or resid 195 and name HA
or resid 226 and name HB3
or resid 226 and name HB2
) 3.9 0.8 0.8 volume=0.309 peak=131 ppm1=8.993 ppm2=4.008
assign ( resid 110 and name H
)
( resid 97 and name HG2
or resid 108 and name HB
or resid 129 and name HG2
or resid 201 and name HB2
) 3.9 0.8 0.8 volume=0.327 peak=132 ppm1=8.987 ppm2=2.683
assign ( resid 112 and name H
)
( resid 2 and name HG1#
or resid 2 and name HG2#
or resid 7 and name HB3
or resid 17 and name HG1#
or resid 38 and name HG1#
or resid 41 and name HG1#
or resid 53 and name HG2#
or resid 61 and name HG1#
or resid 70 and name HG2#
or resid 77 and name HG12
or resid 83 and name HD1#
or resid 90 and name HD1#
or resid 100 and name HG13
or resid 107 and name HG2#
or resid 118 and name HG1#
or resid 118 and name HG2#
or resid 132 and name HG1#
or resid 149 and name HB#
or resid 170 and name HD2#
or resid 187 and name HD2#
or resid 192 and name HG1#
or resid 192 and name HG2#
or resid 198 and name HG2#
or resid 213 and name HD1#
or resid 213 and name HD2#
) 4.2 0.8 0.8 volume=0.490 peak=133 ppm1=8.264 ppm2=1.141
assign ( resid 112 and name H
)
( resid 10 and name HD1#
or resid 13 and name HG2#
or resid 13 and name HD1#
or resid 16 and name HD1#
or resid 16 and name HD2#
or resid 17 and name HG2#
or resid 20 and name HD2#
or resid 20 and name HD1#
or resid 40 and name HB2
or resid 43 and name HG2#
or resid 49 and name HG2#
or resid 53 and name HG1#
or resid 58 and name HG2#
or resid 61 and name HG2#
or resid 63 and name HG2#
or resid 68 and name HG1#
or resid 68 and name HG2#
or resid 77 and name HG2#
or resid 82 and name HD1#
or resid 87 and name HD1#
or resid 102 and name HD1#
or resid 102 and name HG2#
or resid 104 and name HD1#
or resid 110 and name HD1#
or resid 110 and name HD2#
or resid 126 and name HD1#
or resid 126 and name HD2#
or resid 132 and name HG2#
or resid 135 and name HD1#
or resid 135 and name HG2#
or resid 141 and name HD1#
or resid 142 and name HG1#
or resid 156 and name HD1#
or resid 159 and name HD1#
or resid 168 and name HG2#
or resid 173 and name HD1#
or resid 173 and name HG2#
or resid 180 and name HD2#
or resid 180 and name HD1#
or resid 188 and name HD1#
or resid 188 and name HD2#
or resid 202 and name HD2#
or resid 203 and name HG1#
or resid 206 and name HG1#
or resid 227 and name HD2#
or resid 227 and name HD1#
or resid 240 and name HD1#
) 4.2 0.8 0.8 volume=0.584 peak=134 ppm1=8.261 ppm2=0.992
assign ( resid 112 and name H
)
( resid 6 and name HG2#
or resid 19 and name HG2#
or resid 27 and name HG2
or resid 29 and name HB#
or resid 41 and name HG2#
or resid 50 and name HB#
or resid 70 and name HG1#
or resid 74 and name HG13
or resid 78 and name HB2
or resid 89 and name HB2
or resid 109 and name HE#
or resid 114 and name HB#
or resid 135 and name HG12
or resid 196 and name HB3
or resid 206 and name HG2#
or resid 212 and name HB#
) 3.9 0.8 0.8 volume=0.506 peak=135 ppm1=8.263 ppm2=1.437
assign ( resid 112 and name H
)
( resid 4 and name HB2
or resid 10 and name HB3
or resid 13 and name HG13
or resid 16 and name HB2
or resid 20 and name HG
or resid 20 and name HB3
or resid 43 and name HB
or resid 46 and name HB
or resid 46 and name HG13
or resid 47 and name HB#
or resid 56 and name HB2
or resid 58 and name HB
or resid 77 and name HG13
or resid 77 and name HB
or resid 100 and name HG12
or resid 100 and name HB
or resid 101 and name HB
or resid 110 and name HB2
or resid 110 and name HG
or resid 162 and name HB3
or resid 162 and name HB2
or resid 211 and name HG13
or resid 241 and name HB3
or resid 241 and name HB2
) 4.0 0.8 0.8 volume=0.259 peak=136 ppm1=8.273 ppm2=2.021
assign ( resid 112 and name H
)
( resid 15 and name HE#
or resid 61 and name HB
or resid 65 and name HG2
or resid 65 and name HG3
or resid 68 and name HB
or resid 126 and name HB3
or resid 169 and name HB
or resid 170 and name HG
or resid 177 and name HB
or resid 180 and name HG
or resid 192 and name HB
or resid 225 and name HB3
or resid 237 and name HB
) 4.3 0.9 0.9 volume=0.189 peak=137 ppm1=8.265 ppm2=2.224
assign ( resid 113 and name H
)
( resid 9 and name HB3
or resid 17 and name HA
or resid 24 and name HB3
or resid 43 and name HA
or resid 46 and name HA
or resid 49 and name HA
or resid 52 and name HA
or resid 53 and name HA
or resid 60 and name HB2
or resid 77 and name HA
or resid 85 and name HB2
or resid 91 and name HA
or resid 114 and name HA
or resid 135 and name HA
or resid 139 and name HB3
or resid 140 and name HA
or resid 143 and name HA2
or resid 192 and name HA
or resid 203 and name HA
) 3.4 0.7 0.7 volume=0.651 peak=138 ppm1=8.146 ppm2=3.631
assign ( resid 113 and name H
)
( resid 4 and name HB2
or resid 10 and name HG
or resid 16 and name HB2
or resid 43 and name HB
or resid 46 and name HB
or resid 47 and name HB#
or resid 77 and name HG13
or resid 77 and name HB
or resid 100 and name HG12
or resid 100 and name HB
or resid 110 and name HB2
or resid 110 and name HG
or resid 162 and name HB3
or resid 179 and name HB3
or resid 211 and name HG13
or resid 241 and name HB3
or resid 241 and name HB2
) 4.0 0.8 0.8 volume=0.283 peak=139 ppm1=8.146 ppm2=2.004
assign ( resid 113 and name H
)
( resid 27 and name HG3
or resid 52 and name HB#
or resid 102 and name HG13
or resid 110 and name HB3
or resid 111 and name HB#
or resid 116 and name HB#
or resid 137 and name HB2
or resid 137 and name HG
or resid 177 and name HG12
or resid 189 and name HG2#
or resid 197 and name HG12
or resid 200 and name HB3
or resid 219 and name HB3
or resid 221 and name HB#
or resid 228 and name HB#
) 3.4 0.7 0.7 volume=0.941 peak=140 ppm1=8.146 ppm2=1.598
assign ( resid 114 and name H
)
( resid 22 and name HD#
or resid 24 and name HZ3
or resid 74 and name H
or resid 113 and name HE#
or resid 126 and name H
or resid 127 and name HE#
or resid 140 and name HD#
or resid 165 and name HD22
or resid 178 and name HZ2
or resid 184 and name H
or resid 192 and name H
or resid 210 and name HE#
) 4.3 0.9 0.9 volume=0.207 peak=141 ppm1=8.878 ppm2=7.214
assign ( resid 114 and name H
)
( resid 28 and name HB2
or resid 33 and name HG3
or resid 33 and name HG2
or resid 73 and name HB3
or resid 75 and name HB2
or resid 86 and name HB3
or resid 90 and name HB3
or resid 97 and name HG3
or resid 122 and name HG2
or resid 129 and name HG3
or resid 145 and name HG2
or resid 145 and name HG3
or resid 170 and name HB3
or resid 222 and name HG2
or resid 225 and name HG2
or resid 225 and name HG3
) 4.2 0.8 0.8 volume=0.186 peak=142 ppm1=8.885 ppm2=2.489
assign ( resid 114 and name H
)
( resid 5 and name HG2#
or resid 10 and name HG
or resid 16 and name HB2
or resid 33 and name HB3
or resid 47 and name HB#
or resid 100 and name HG12
or resid 100 and name HB
or resid 110 and name HB2
or resid 117 and name HE#
or resid 162 and name HB3
or resid 172 and name HB#
or resid 179 and name HB3
or resid 211 and name HG13
or resid 219 and name HB2
) 4.4 0.9 0.9 volume=0.177 peak=143 ppm1=8.880 ppm2=1.954
assign ( resid 114 and name H
)
( resid 52 and name HB#
or resid 102 and name HG13
or resid 110 and name HB3
or resid 111 and name HB#
or resid 116 and name HB#
or resid 137 and name HB2
or resid 137 and name HG
or resid 177 and name HG12
or resid 189 and name HG2#
or resid 195 and name HB#
or resid 197 and name HG12
or resid 200 and name HB3
or resid 221 and name HB#
or resid 228 and name HB#
) 3.8 0.8 0.8 volume=0.512 peak=144 ppm1=8.883 ppm2=1.593
assign ( resid 114 and name H
)
( resid 2 and name HG1#
or resid 2 and name HG2#
or resid 7 and name HB3
or resid 17 and name HG1#
or resid 38 and name HG1#
or resid 41 and name HG1#
or resid 53 and name HG2#
or resid 61 and name HG1#
or resid 70 and name HG2#
or resid 77 and name HG12
or resid 83 and name HD1#
or resid 90 and name HD1#
or resid 100 and name HG13
or resid 100 and name HD1#
or resid 107 and name HG2#
or resid 118 and name HG1#
or resid 118 and name HG2#
or resid 132 and name HG1#
or resid 149 and name HB#
or resid 156 and name HG2#
or resid 169 and name HG1#
or resid 170 and name HD2#
or resid 187 and name HD2#
or resid 187 and name HD1#
or resid 192 and name HG1#
or resid 192 and name HG2#
or resid 197 and name HD1#
or resid 198 and name HG2#
or resid 213 and name HD1#
or resid 213 and name HD2#
or resid 230 and name HG1#
or resid 237 and name HG1#
or resid 237 and name HG2#
) 4.8 1.0 1.0 volume=0.235 peak=145 ppm1=8.886 ppm2=1.127
assign ( resid 115 and name H
)
( resid 24 and name HD1
or resid 98 and name HZ
or resid 117 and name H
or resid 126 and name H
or resid 176 and name HZ
or resid 178 and name HZ2
or resid 192 and name H
or resid 210 and name HE#
) 3.8 0.8 0.8 volume=0.378 peak=146 ppm1=8.685 ppm2=7.258
assign ( resid 115 and name H
)
( resid 2 and name HA
or resid 3 and name HA3
or resid 5 and name HA
or resid 6 and name HA
or resid 24 and name HA
or resid 29 and name HA
or resid 37 and name HA
or resid 89 and name HA
or resid 105 and name HA
or resid 106 and name HA
or resid 110 and name HA
or resid 120 and name HA2
or resid 121 and name HA
or resid 123 and name HA
or resid 125 and name HA
or resid 137 and name HA
or resid 142 and name HA
or resid 147 and name HA
or resid 148 and name HA
or resid 150 and name HA
or resid 158 and name HA
or resid 159 and name HA
or resid 184 and name HA2
or resid 185 and name HA
or resid 217 and name HA
or resid 218 and name HA
or resid 219 and name HA
or resid 220 and name HA
or resid 230 and name HA
or resid 234 and name HB
or resid 240 and name HA
or resid 241 and name HA
) 4.0 0.8 0.8 volume=0.261 peak=147 ppm1=8.687 ppm2=4.303
assign ( resid 115 and name H
)
( resid 3 and name HA2
or resid 7 and name HA
or resid 10 and name HA
or resid 16 and name HA
or resid 20 and name HA
or resid 30 and name HA3
or resid 30 and name HA2
or resid 36 and name HA
or resid 40 and name HA
or resid 55 and name HA
or resid 90 and name HA
or resid 93 and name HA
or resid 95 and name HB3
or resid 95 and name HB2
or resid 99 and name HA3
or resid 116 and name HA
or resid 124 and name HA
or resid 126 and name HA
or resid 129 and name HA
or resid 139 and name HA
or resid 158 and name HB3
or resid 158 and name HB2
or resid 162 and name HA
or resid 163 and name HA
or resid 167 and name HB
or resid 173 and name HA
or resid 184 and name HA3
or resid 191 and name HB
or resid 196 and name HA
or resid 198 and name HA
or resid 199 and name HA
or resid 204 and name HA
or resid 212 and name HA
or resid 213 and name HA
or resid 224 and name HA2
or resid 224 and name HA3
or resid 229 and name HA2
or resid 229 and name HA3
) 3.9 0.8 0.8 volume=0.304 peak=148 ppm1=8.685 ppm2=4.132
assign ( resid 116 and name H
)
( resid 9 and name HH2
or resid 73 and name HD#
or resid 76 and name HD1
or resid 86 and name HE#
or resid 113 and name HD#
or resid 160 and name HD#
or resid 199 and name HD#
or resid 210 and name HZ
) 5.2 1.0 1.0 volume=0.077 peak=149 ppm1=7.961 ppm2=7.043
assign ( resid 117 and name H
)
( resid 8 and name HD#
or resid 22 and name HE#
or resid 22 and name HD#
or resid 24 and name HZ3
or resid 51 and name HE#
or resid 60 and name HD1
or resid 74 and name H
or resid 113 and name HE#
or resid 126 and name H
or resid 127 and name HE#
or resid 140 and name HD#
or resid 165 and name HD22
or resid 184 and name H
) 3.9 0.8 0.8 volume=0.421 peak=150 ppm1=7.309 ppm2=7.185
assign ( resid 117 and name H
)
( resid 73 and name HD#
or resid 76 and name HD1
or resid 86 and name HE#
or resid 113 and name HD#
or resid 160 and name HD#
or resid 199 and name HD#
or resid 210 and name HZ
) 3.9 0.8 0.8 volume=0.466 peak=151 ppm1=7.303 ppm2=7.039
assign ( resid 117 and name H
)
( resid 15 and name HE#
or resid 56 and name HG
or resid 61 and name HB
or resid 65 and name HG2
or resid 65 and name HG3
or resid 68 and name HB
or resid 102 and name HB
or resid 122 and name HB3
or resid 122 and name HB2
or resid 126 and name HG
or resid 126 and name HB3
or resid 147 and name HB3
or resid 147 and name HB2
or resid 156 and name HB
or resid 169 and name HB
or resid 170 and name HG
or resid 177 and name HB
or resid 180 and name HG
or resid 202 and name HB2
or resid 202 and name HG
or resid 213 and name HG
or resid 222 and name HB3
or resid 222 and name HB2
or resid 225 and name HB3
or resid 237 and name HB
) 2.6 0.5 0.5 volume=3.366 peak=152 ppm1=7.303 ppm2=2.203
assign ( resid 136 and name H
)
( resid 9 and name HD1
or resid 24 and name HH2
or resid 27 and name H
or resid 29 and name H
or resid 37 and name HD#
or resid 37 and name H
or resid 86 and name HD#
or resid 98 and name HD#
or resid 117 and name H
or resid 118 and name H
or resid 134 and name HD#
or resid 134 and name HZ
or resid 171 and name HZ2
) 4.8 1.0 1.0 volume=0.108 peak=153 ppm1=7.975 ppm2=7.349
assign ( resid 120 and name H
)
( resid 9 and name HB2
or resid 11 and name HA2
or resid 11 and name HA3
or resid 22 and name HB2
or resid 85 and name HB3
or resid 98 and name HB3
or resid 113 and name HB3
or resid 113 and name HB2
or resid 123 and name HD3
or resid 123 and name HD2
or resid 140 and name HB2
or resid 143 and name HA3
or resid 152 and name HD2
or resid 194 and name HA
or resid 223 and name HB2
) 5.3 1.1 1.1 volume=0.049 peak=154 ppm1=7.973 ppm2=3.329
assign ( resid 136 and name H
)
( resid 26 and name HA2
or resid 27 and name HD2
or resid 37 and name HB2
or resid 66 and name HD3
or resid 66 and name HD2
or resid 98 and name HB2
or resid 124 and name HB2
or resid 127 and name HB3
or resid 139 and name HB2
or resid 176 and name HB3
) 4.7 0.9 0.9 volume=0.104 peak=155 ppm1=7.983 ppm2=3.146
assign ( resid 120 and name H
)
( resid 15 and name HE#
or resid 56 and name HG
or resid 61 and name HB
or resid 65 and name HG2
or resid 65 and name HG3
or resid 68 and name HB
or resid 102 and name HB
or resid 122 and name HB3
or resid 122 and name HB2
or resid 126 and name HG
or resid 126 and name HB3
or resid 147 and name HB3
or resid 147 and name HB2
or resid 156 and name HB
or resid 169 and name HB
or resid 170 and name HG
or resid 177 and name HB
or resid 180 and name HG
or resid 202 and name HB2
or resid 202 and name HG
or resid 213 and name HG
or resid 222 and name HB3
or resid 222 and name HB2
or resid 225 and name HB3
or resid 237 and name HB
) 3.5 0.7 0.7 volume=0.643 peak=156 ppm1=7.971 ppm2=2.202
assign ( resid 120 and name H
)
( resid 7 and name HD1#
or resid 43 and name HD1#
or resid 63 and name HG1#
or resid 74 and name HG2#
or resid 77 and name HD1#
or resid 83 and name HG2#
or resid 93 and name HB3
or resid 179 and name HD1#
or resid 179 and name HD2#
or resid 194 and name HG2#
or resid 196 and name HD1#
or resid 200 and name HD2#
or resid 211 and name HG2#
or resid 219 and name HD1#
or resid 219 and name HD2#
) 5.5 1.1 1.1 volume=0.108 peak=157 ppm1=7.973 ppm2=0.827
assign ( resid 125 and name H
)
( resid 17 and name HA
or resid 18 and name HA2
or resid 18 and name HA3
or resid 22 and name HB3
or resid 24 and name HB2
or resid 67 and name HB
or resid 73 and name HB2
or resid 74 and name HA
or resid 85 and name HB2
or resid 107 and name HA
or resid 127 and name HA
or resid 128 and name HA3
or resid 135 and name HA
or resid 143 and name HA2
or resid 164 and name HD3
or resid 176 and name HB2
or resid 178 and name HB3
or resid 178 and name HB2
or resid 192 and name HA
or resid 203 and name HA
or resid 207 and name HA2
or resid 210 and name HB3
or resid 223 and name HB3
) 4.6 0.9 0.9 volume=0.117 peak=158 ppm1=7.995 ppm2=3.557
assign ( resid 125 and name H
)
( resid 36 and name HE#
or resid 72 and name H
or resid 178 and name HH2
) 4.9 1.0 1.0 volume=0.095 peak=159 ppm1=7.989 ppm2=6.589
assign ( resid 128 and name H
)
( resid 3 and name HA2
or resid 7 and name HA
or resid 16 and name HA
or resid 20 and name HA
or resid 25 and name HA
or resid 36 and name HA
or resid 41 and name HA
or resid 55 and name HA
or resid 63 and name HA
or resid 68 and name HA
or resid 95 and name HB3
or resid 95 and name HB2
or resid 99 and name HA3
or resid 116 and name HA
or resid 129 and name HA
or resid 133 and name HA
or resid 139 and name HA
or resid 146 and name HA
or resid 158 and name HB3
or resid 163 and name HA
or resid 166 and name HA
or resid 167 and name HB
or resid 184 and name HA3
or resid 191 and name HB
or resid 196 and name HA
or resid 199 and name HA
or resid 213 and name HA
or resid 216 and name HA
or resid 226 and name HB3
or resid 226 and name HB2
or resid 229 and name HA2
or resid 229 and name HA3
) 4.3 0.9 0.9 volume=0.162 peak=160 ppm1=8.565 ppm2=4.093
assign ( resid 128 and name H
)
( resid 2 and name HG1#
or resid 38 and name HG1#
or resid 49 and name HG1#
or resid 74 and name HG12
or resid 89 and name HG
or resid 91 and name HB#
or resid 103 and name HG2#
or resid 121 and name HD1#
or resid 131 and name HB#
or resid 132 and name HG1#
or resid 137 and name HD1#
or resid 137 and name HD2#
or resid 141 and name HB3
or resid 156 and name HG12
or resid 166 and name HD1#
or resid 169 and name HG2#
or resid 177 and name HG2#
or resid 185 and name HG1#
or resid 211 and name HG12
) 4.2 0.8 0.8 volume=0.403 peak=161 ppm1=8.565 ppm2=1.219
assign ( resid 128 and name H
)
( resid 10 and name HD1#
or resid 13 and name HG2#
or resid 13 and name HD1#
or resid 16 and name HD1#
or resid 16 and name HD2#
or resid 17 and name HG2#
or resid 20 and name HD2#
or resid 20 and name HD1#
or resid 40 and name HB2
or resid 43 and name HG2#
or resid 49 and name HG2#
or resid 53 and name HG1#
or resid 61 and name HG2#
or resid 63 and name HG2#
or resid 68 and name HG1#
or resid 68 and name HG2#
or resid 77 and name HG2#
or resid 82 and name HD1#
or resid 87 and name HD1#
or resid 87 and name HD2#
or resid 102 and name HD1#
or resid 102 and name HG2#
or resid 104 and name HD1#
or resid 104 and name HD2#
or resid 110 and name HD1#
or resid 110 and name HD2#
or resid 126 and name HD1#
or resid 126 and name HD2#
or resid 132 and name HG2#
or resid 135 and name HD1#
or resid 135 and name HG2#
or resid 141 and name HD1#
or resid 142 and name HG1#
or resid 156 and name HD1#
or resid 159 and name HD1#
or resid 166 and name HD2#
or resid 168 and name HG2#
or resid 173 and name HD1#
or resid 173 and name HG2#
or resid 180 and name HD2#
or resid 180 and name HD1#
or resid 188 and name HD1#
or resid 188 and name HD2#
or resid 202 and name HD2#
or resid 203 and name HG1#
or resid 203 and name HG2#
or resid 206 and name HG1#
or resid 227 and name HD2#
or resid 227 and name HD1#
or resid 240 and name HD2#
or resid 240 and name HD1#
) 4.8 1.0 1.0 volume=0.264 peak=162 ppm1=8.563 ppm2=1.007
assign ( resid 129 and name H
)
( resid 23 and name HB#
or resid 39 and name HG2#
or resid 46 and name HG12
or resid 48 and name HB#
or resid 79 and name HG2#
or resid 90 and name HB2
or resid 96 and name HB3
or resid 121 and name HG13
or resid 125 and name HB#
or resid 156 and name HG13
or resid 159 and name HB2
or resid 159 and name HG
or resid 163 and name HB3
or resid 163 and name HG
or resid 215 and name HB#
or resid 216 and name HB#
or resid 217 and name HB#
or resid 227 and name HB2
or resid 240 and name HB2
) 4.2 0.8 0.8 volume=0.274 peak=163 ppm1=8.044 ppm2=1.711
assign ( resid 129 and name H
)
( resid 10 and name HD1#
or resid 13 and name HG2#
or resid 13 and name HD1#
or resid 16 and name HD1#
or resid 16 and name HD2#
or resid 17 and name HG2#
or resid 20 and name HD2#
or resid 20 and name HD1#
or resid 40 and name HB2
or resid 43 and name HG2#
or resid 49 and name HG2#
or resid 53 and name HG1#
or resid 56 and name HD2#
or resid 61 and name HG2#
or resid 63 and name HG2#
or resid 68 and name HG1#
or resid 68 and name HG2#
or resid 77 and name HG2#
or resid 82 and name HD1#
or resid 87 and name HD1#
or resid 87 and name HD2#
or resid 101 and name HG1#
or resid 102 and name HD1#
or resid 102 and name HG2#
or resid 104 and name HD1#
or resid 104 and name HD2#
or resid 110 and name HD1#
or resid 110 and name HD2#
or resid 126 and name HD1#
or resid 126 and name HD2#
or resid 132 and name HG2#
or resid 135 and name HD1#
or resid 135 and name HG2#
or resid 141 and name HD1#
or resid 142 and name HG1#
or resid 156 and name HD1#
or resid 159 and name HD1#
or resid 166 and name HD2#
or resid 168 and name HG1#
or resid 168 and name HG2#
or resid 173 and name HD1#
or resid 173 and name HG2#
or resid 180 and name HD2#
or resid 180 and name HD1#
or resid 188 and name HD1#
or resid 188 and name HD2#
or resid 202 and name HD2#
or resid 203 and name HG1#
or resid 203 and name HG2#
or resid 206 and name HG1#
or resid 227 and name HD2#
or resid 227 and name HD1#
or resid 240 and name HD2#
or resid 240 and name HD1#
) 4.2 0.8 0.8 volume=0.576 peak=164 ppm1=8.043 ppm2=1.011
assign ( resid 130 and name H
)
( resid 10 and name HD1#
or resid 13 and name HG2#
or resid 13 and name HD1#
or resid 16 and name HD1#
or resid 16 and name HD2#
or resid 17 and name HG2#
or resid 20 and name HD2#
or resid 20 and name HD1#
or resid 40 and name HB2
or resid 43 and name HG2#
or resid 49 and name HG2#
or resid 53 and name HG1#
or resid 61 and name HG2#
or resid 63 and name HG2#
or resid 68 and name HG1#
or resid 68 and name HG2#
or resid 77 and name HG2#
or resid 82 and name HD1#
or resid 87 and name HD1#
or resid 87 and name HD2#
or resid 102 and name HD1#
or resid 102 and name HG2#
or resid 104 and name HD1#
or resid 104 and name HD2#
or resid 110 and name HD1#
or resid 110 and name HD2#
or resid 126 and name HD1#
or resid 126 and name HD2#
or resid 132 and name HG2#
or resid 135 and name HD1#
or resid 135 and name HG2#
or resid 141 and name HD1#
or resid 142 and name HG1#
or resid 156 and name HD1#
or resid 159 and name HD1#
or resid 166 and name HD2#
or resid 168 and name HG2#
or resid 173 and name HD1#
or resid 173 and name HG2#
or resid 180 and name HD2#
or resid 180 and name HD1#
or resid 188 and name HD1#
or resid 188 and name HD2#
or resid 202 and name HD2#
or resid 203 and name HG1#
or resid 203 and name HG2#
or resid 206 and name HG1#
or resid 227 and name HD2#
or resid 227 and name HD1#
or resid 240 and name HD2#
or resid 240 and name HD1#
) 4.1 0.8 0.8 volume=0.675 peak=165 ppm1=8.085 ppm2=1.008
assign ( resid 130 and name H
)
( resid 8 and name H
or resid 20 and name H
or resid 21 and name H
or resid 33 and name H
or resid 46 and name H
or resid 91 and name H
or resid 105 and name H
or resid 106 and name H
or resid 112 and name H
or resid 123 and name H
or resid 124 and name H
or resid 135 and name H
or resid 147 and name H
or resid 163 and name H
or resid 178 and name H
or resid 193 and name H
or resid 216 and name H
or resid 217 and name H
or resid 228 and name H
or resid 239 and name H
) 4.2 0.8 0.8 volume=0.192 peak=166 ppm1=8.080 ppm2=8.230
assign ( resid 131 and name H
)
( resid 27 and name HG3
or resid 52 and name HB#
or resid 64 and name HB#
or resid 102 and name HG13
or resid 104 and name HB3
or resid 110 and name HB3
or resid 111 and name HB#
or resid 116 and name HB#
or resid 137 and name HB2
or resid 137 and name HG
or resid 177 and name HG12
or resid 189 and name HG2#
or resid 197 and name HG12
or resid 200 and name HB3
or resid 219 and name HB3
or resid 221 and name HB#
) 3.5 0.7 0.7 volume=0.835 peak=167 ppm1=8.729 ppm2=1.603
assign ( resid 132 and name H
)
( resid 22 and name HB3
or resid 24 and name HB2
or resid 51 and name HB2
or resid 73 and name HB2
or resid 74 and name HA
or resid 86 and name HB2
or resid 107 and name HA
or resid 108 and name HA
or resid 134 and name HB3
or resid 134 and name HB2
or resid 168 and name HA
or resid 176 and name HB2
or resid 178 and name HB3
or resid 178 and name HB2
or resid 186 and name HA
or resid 210 and name HB3
or resid 223 and name HB3
) 4.1 0.8 0.8 volume=0.224 peak=168 ppm1=8.086 ppm2=3.486
assign ( resid 132 and name H
)
( resid 20 and name HB2
or resid 21 and name HB#
or resid 27 and name HG2
or resid 29 and name HB#
or resid 78 and name HB2
or resid 108 and name HG2#
or resid 110 and name HB3
or resid 135 and name HG12
or resid 137 and name HB2
or resid 186 and name HB#
or resid 195 and name HB#
or resid 200 and name HB2
or resid 228 and name HB#
or resid 236 and name HB#
or resid 238 and name HB#
) 4.2 0.8 0.8 volume=0.291 peak=169 ppm1=8.083 ppm2=1.515
assign ( resid 116 and name H
or resid 133 and name H
)
( resid 5 and name HG2#
or resid 7 and name HB2
or resid 10 and name HG
or resid 10 and name HB2
or resid 16 and name HB2
or resid 25 and name HB#
or resid 27 and name HB3
or resid 33 and name HB3
or resid 47 and name HB#
or resid 89 and name HB3
or resid 100 and name HG12
or resid 110 and name HB2
or resid 117 and name HE#
or resid 172 and name HB#
or resid 179 and name HB3
or resid 211 and name HG13
or resid 219 and name HB2
) 4.7 0.9 0.9 volume=0.129 peak=170 ppm1=7.946 ppm2=1.939
assign ( resid 133 and name H
)
( resid 28 and name HB2
or resid 33 and name HG3
or resid 33 and name HG2
or resid 70 and name HB
or resid 73 and name HB3
or resid 75 and name HB2
or resid 86 and name HB3
or resid 90 and name HB3
or resid 97 and name HG3
or resid 122 and name HG2
or resid 129 and name HG3
or resid 145 and name HG2
or resid 145 and name HG3
or resid 170 and name HB3
or resid 222 and name HG2
or resid 225 and name HG2
or resid 225 and name HG3
) 3.6 0.7 0.7 volume=0.502 peak=171 ppm1=7.953 ppm2=2.501
assign ( resid 116 and name H
or resid 133 and name H
or resid 215 and name H
)
( resid 13 and name HB
or resid 15 and name HE#
or resid 56 and name HG
or resid 61 and name HB
or resid 62 and name HB3
or resid 65 and name HG2
or resid 65 and name HG3
or resid 68 and name HB
or resid 78 and name HG
or resid 102 and name HB
or resid 122 and name HB3
or resid 122 and name HB2
or resid 126 and name HG
or resid 126 and name HB3
or resid 145 and name HE#
or resid 147 and name HB3
or resid 147 and name HB2
or resid 156 and name HB
or resid 168 and name HB
or resid 180 and name HG
or resid 202 and name HB2
or resid 202 and name HG
or resid 213 and name HG
or resid 213 and name HB3
or resid 222 and name HB3
or resid 222 and name HB2
) 3.9 0.8 0.8 volume=0.337 peak=172 ppm1=7.952 ppm2=2.174
assign ( resid 134 and name H
)
( resid 7 and name H
or resid 9 and name HZ2
or resid 40 and name H
or resid 60 and name HH2
or resid 60 and name HZ3
or resid 98 and name HE#
or resid 134 and name HE#
or resid 166 and name H
or resid 169 and name H
or resid 171 and name HE3
or resid 171 and name HH2
or resid 171 and name HD1
or resid 174 and name H
or resid 176 and name H
or resid 199 and name H
or resid 208 and name H
or resid 210 and name HD#
) 3.9 0.8 0.8 volume=0.348 peak=173 ppm1=8.536 ppm2=7.504
assign ( resid 137 and name H
)
( resid 7 and name H
or resid 9 and name HZ2
or resid 40 and name H
or resid 60 and name HH2
or resid 60 and name HZ3
or resid 98 and name HE#
or resid 134 and name HE#
or resid 169 and name H
or resid 171 and name HE3
or resid 171 and name HH2
or resid 171 and name HD1
or resid 199 and name H
or resid 208 and name H
) 4.3 0.9 0.9 volume=0.187 peak=174 ppm1=8.518 ppm2=7.492
assign ( resid 139 and name H
)
( resid 6 and name HG2#
or resid 19 and name HG2#
or resid 27 and name HG2
or resid 29 and name HB#
or resid 41 and name HG2#
or resid 50 and name HB#
or resid 70 and name HG1#
or resid 74 and name HG13
or resid 78 and name HB2
or resid 108 and name HG2#
or resid 109 and name HE#
or resid 114 and name HB#
or resid 135 and name HG12
or resid 186 and name HB#
or resid 200 and name HB2
or resid 206 and name HG2#
or resid 212 and name HB#
) 4.6 0.9 0.9 volume=0.220 peak=175 ppm1=8.593 ppm2=1.454
assign ( resid 141 and name H
)
( resid 28 and name HB2
or resid 33 and name HG3
or resid 33 and name HG2
or resid 70 and name HB
or resid 75 and name HB2
or resid 97 and name HG3
or resid 122 and name HG3
or resid 127 and name HB2
or resid 129 and name HG3
or resid 145 and name HG2
or resid 145 and name HG3
or resid 151 and name HG3
or resid 185 and name HB
) 4.0 0.8 0.8 volume=0.256 peak=176 ppm1=8.451 ppm2=2.536
assign ( resid 142 and name H
)
( resid 73 and name HD#
or resid 76 and name HD1
or resid 86 and name HE#
or resid 113 and name HD#
or resid 139 and name HD#
or resid 160 and name HD#
or resid 199 and name HD#
or resid 208 and name HD#
) 4.1 0.8 0.8 volume=0.427 peak=177 ppm1=8.637 ppm2=7.016
assign ( resid 142 and name H
)
( resid 4 and name HB3
or resid 13 and name HG12
or resid 93 and name HB2
or resid 106 and name HG2#
or resid 146 and name HG2#
or resid 161 and name HG1#
or resid 163 and name HB2
or resid 173 and name HG12
or resid 177 and name HG13
or resid 196 and name HB3
or resid 218 and name HG2#
or resid 232 and name HG2#
or resid 234 and name HG2#
) 4.0 0.8 0.8 volume=0.367 peak=178 ppm1=8.644 ppm2=1.346
assign ( resid 143 and name H
)
( resid 8 and name HE#
or resid 36 and name HD#
or resid 36 and name HE#
or resid 69 and name HZ
or resid 86 and name HZ
or resid 139 and name HE#
or resid 199 and name HE#
) 4.2 0.8 0.8 volume=0.297 peak=179 ppm1=8.300 ppm2=6.675
assign ( resid 143 and name H
)
( resid 9 and name HZ3
or resid 82 and name H
or resid 86 and name HE#
or resid 139 and name HD#
or resid 199 and name HD#
or resid 208 and name HD#
) 4.5 0.9 0.9 volume=0.199 peak=180 ppm1=8.311 ppm2=6.968
assign ( resid 145 and name H
)
( resid 3 and name HA2
or resid 7 and name HA
or resid 16 and name HA
or resid 20 and name HA
or resid 25 and name HA
or resid 36 and name HA
or resid 41 and name HA
or resid 55 and name HA
or resid 63 and name HA
or resid 68 and name HA
or resid 95 and name HB3
or resid 95 and name HB2
or resid 99 and name HA3
or resid 116 and name HA
or resid 129 and name HA
or resid 133 and name HA
or resid 139 and name HA
or resid 146 and name HA
or resid 158 and name HB3
or resid 163 and name HA
or resid 166 and name HA
or resid 167 and name HB
or resid 184 and name HA3
or resid 191 and name HB
or resid 196 and name HA
or resid 199 and name HA
or resid 213 and name HA
or resid 216 and name HA
or resid 226 and name HB3
or resid 226 and name HB2
or resid 229 and name HA2
or resid 229 and name HA3
) 3.9 0.8 0.8 volume=0.301 peak=181 ppm1=8.804 ppm2=4.094
assign ( resid 145 and name H
)
( resid 3 and name HA3
or resid 6 and name HA
or resid 12 and name HA
or resid 21 and name HA
or resid 35 and name HA
or resid 37 and name HA
or resid 48 and name HA
or resid 89 and name HA
or resid 96 and name HA
or resid 97 and name HA
or resid 105 and name HA
or resid 106 and name HA
or resid 110 and name HA
or resid 120 and name HA2
or resid 121 and name HA
or resid 122 and name HA
or resid 125 and name HA
or resid 137 and name HA
or resid 142 and name HA
or resid 147 and name HA
or resid 148 and name HA
or resid 150 and name HA
or resid 158 and name HA
or resid 159 and name HA
or resid 184 and name HA2
or resid 185 and name HA
or resid 206 and name HA
or resid 217 and name HA
or resid 218 and name HA
or resid 219 and name HA
or resid 220 and name HA
or resid 234 and name HB
) 3.4 0.7 0.7 volume=0.681 peak=182 ppm1=8.802 ppm2=4.275
assign ( resid 146 and name H
)
( resid 17 and name HB
or resid 62 and name HB2
or resid 84 and name HB
or resid 107 and name HB
or resid 121 and name HB
or resid 135 and name HB
or resid 137 and name HB3
or resid 142 and name HB
or resid 147 and name HG2
or resid 147 and name HG3
or resid 197 and name HB
or resid 198 and name HB
or resid 202 and name HB3
or resid 222 and name HG3
or resid 241 and name HG2
or resid 241 and name HG3
) 3.7 0.7 0.7 volume=0.442 peak=183 ppm1=7.117 ppm2=2.362
assign ( resid 146 and name H
)
( resid 53 and name HG2#
or resid 56 and name HD2#
or resid 61 and name HG1#
or resid 61 and name HG2#
or resid 68 and name HG2#
or resid 77 and name HG12
or resid 82 and name HD2#
or resid 83 and name HD1#
or resid 84 and name HG2#
or resid 87 and name HD2#
or resid 90 and name HD1#
or resid 100 and name HD1#
or resid 101 and name HG1#
or resid 101 and name HG2#
or resid 104 and name HD2#
or resid 118 and name HG1#
or resid 118 and name HG2#
or resid 142 and name HG1#
or resid 142 and name HG2#
or resid 149 and name HB#
or resid 156 and name HG2#
or resid 161 and name HG2#
or resid 166 and name HD2#
or resid 168 and name HG1#
or resid 169 and name HG1#
or resid 170 and name HD1#
or resid 187 and name HD2#
or resid 187 and name HD1#
or resid 197 and name HD1#
or resid 203 and name HG2#
or resid 213 and name HD1#
or resid 213 and name HD2#
or resid 230 and name HG1#
or resid 230 and name HG2#
or resid 237 and name HG1#
or resid 237 and name HG2#
or resid 240 and name HD2#
) 4.1 0.8 0.8 volume=0.617 peak=184 ppm1=7.113 ppm2=1.086
assign ( resid 147 and name H
)
( resid 28 and name HB2
or resid 33 and name HG3
or resid 33 and name HG2
or resid 70 and name HB
or resid 73 and name HB3
or resid 75 and name HB2
or resid 86 and name HB3
or resid 90 and name HB3
or resid 97 and name HG3
or resid 122 and name HG2
or resid 129 and name HG3
or resid 145 and name HG2
or resid 145 and name HG3
or resid 170 and name HB3
or resid 222 and name HG2
) 3.6 0.7 0.7 volume=0.486 peak=185 ppm1=8.221 ppm2=2.503
assign ( resid 147 and name H
)
( resid 49 and name HG1#
or resid 54 and name HE#
or resid 74 and name HG12
or resid 89 and name HG
or resid 91 and name HB#
or resid 103 and name HG2#
or resid 121 and name HD1#
or resid 131 and name HB#
or resid 137 and name HD1#
or resid 137 and name HD2#
or resid 141 and name HB3
or resid 156 and name HG12
or resid 166 and name HD1#
or resid 169 and name HG2#
or resid 177 and name HG2#
or resid 185 and name HG1#
or resid 191 and name HG2#
or resid 211 and name HG12
) 4.6 0.9 0.9 volume=0.218 peak=186 ppm1=8.219 ppm2=1.226
assign ( resid 148 and name H
)
( resid 7 and name H
or resid 40 and name H
or resid 51 and name HD#
or resid 60 and name HH2
or resid 98 and name HE#
or resid 105 and name HD21
or resid 109 and name H
or resid 151 and name H
or resid 152 and name H
or resid 156 and name H
or resid 166 and name H
or resid 174 and name H
or resid 176 and name H
or resid 210 and name HD#
) 4.3 0.9 0.9 volume=0.196 peak=187 ppm1=8.086 ppm2=7.573
assign ( resid 148 and name H
)
( resid 6 and name HB
or resid 15 and name HA
or resid 67 and name HA
or resid 78 and name HA
or resid 81 and name HA
or resid 82 and name HA
or resid 103 and name HB
or resid 106 and name HB
or resid 146 and name HB
or resid 170 and name HA
or resid 187 and name HA
or resid 215 and name HA
or resid 218 and name HB
or resid 221 and name HA
or resid 225 and name HA
or resid 227 and name HA
or resid 228 and name HA
or resid 232 and name HB
or resid 232 and name HA
or resid 236 and name HA
or resid 238 and name HA
) 3.8 0.8 0.8 volume=0.343 peak=188 ppm1=8.084 ppm2=4.479
assign ( resid 150 and name H
)
( resid 19 and name HB
or resid 65 and name HA
or resid 67 and name HA
or resid 78 and name HA
or resid 109 and name HA
or resid 118 and name HA
or resid 120 and name HA3
or resid 141 and name HA
or resid 151 and name HA
or resid 170 and name HA
or resid 210 and name HA
or resid 214 and name HA
or resid 225 and name HA
) 4.8 1.0 1.0 volume=0.089 peak=189 ppm1=7.905 ppm2=4.566
assign ( resid 174 and name H
)
( resid 27 and name HG3
or resid 48 and name HB#
or resid 52 and name HB#
or resid 64 and name HB#
or resid 90 and name HB2
or resid 102 and name HG13
or resid 104 and name HB3
or resid 116 and name HB#
or resid 133 and name HB#
or resid 137 and name HG
or resid 159 and name HB2
or resid 159 and name HG
or resid 163 and name HB3
or resid 163 and name HG
or resid 177 and name HG12
or resid 189 and name HG2#
or resid 200 and name HB3
or resid 215 and name HB#
or resid 216 and name HB#
or resid 219 and name HB3
or resid 221 and name HB#
) 3.7 0.7 0.7 volume=0.631 peak=190 ppm1=7.552 ppm2=1.649
assign ( resid 155 and name H
)
( resid 3 and name HA2
or resid 7 and name HA
or resid 10 and name HA
or resid 16 and name HA
or resid 20 and name HA
or resid 30 and name HA3
or resid 30 and name HA2
or resid 36 and name HA
or resid 40 and name HA
or resid 90 and name HA
or resid 93 and name HA
or resid 95 and name HB3
or resid 95 and name HB2
or resid 99 and name HA3
or resid 116 and name HA
or resid 124 and name HA
or resid 126 and name HA
or resid 129 and name HA
or resid 139 and name HA
or resid 158 and name HB3
or resid 158 and name HB2
or resid 162 and name HA
or resid 163 and name HA
or resid 167 and name HB
or resid 173 and name HA
or resid 184 and name HA3
or resid 196 and name HA
or resid 198 and name HA
or resid 199 and name HA
or resid 204 and name HA
or resid 212 and name HA
or resid 213 and name HA
or resid 224 and name HA2
or resid 224 and name HA3
or resid 229 and name HA2
or resid 229 and name HA3
) 3.9 0.8 0.8 volume=0.326 peak=191 ppm1=9.046 ppm2=4.136
assign ( resid 156 and name H
)
( resid 2 and name HA
or resid 3 and name HA3
or resid 5 and name HA
or resid 6 and name HA
or resid 21 and name HA
or resid 29 and name HA
or resid 35 and name HA
or resid 37 and name HA
or resid 89 and name HA
or resid 96 and name HA
or resid 97 and name HA
or resid 105 and name HA
or resid 106 and name HA
or resid 110 and name HA
or resid 120 and name HA2
or resid 121 and name HA
or resid 123 and name HA
or resid 125 and name HA
or resid 137 and name HA
or resid 142 and name HA
or resid 147 and name HA
or resid 148 and name HA
or resid 150 and name HA
or resid 158 and name HA
or resid 159 and name HA
or resid 184 and name HA2
or resid 185 and name HA
or resid 217 and name HA
or resid 218 and name HA
or resid 219 and name HA
or resid 220 and name HA
or resid 234 and name HB
or resid 240 and name HA
or resid 241 and name HA
) 3.7 0.7 0.7 volume=0.428 peak=192 ppm1=7.585 ppm2=4.291
assign ( resid 156 and name H
)
( resid 7 and name HD1#
or resid 43 and name HD1#
or resid 46 and name HD1#
or resid 63 and name HG1#
or resid 74 and name HG2#
or resid 77 and name HD1#
or resid 78 and name HD1#
or resid 78 and name HD2#
or resid 83 and name HG2#
or resid 179 and name HD2#
or resid 194 and name HG2#
or resid 196 and name HD1#
or resid 200 and name HD2#
or resid 202 and name HD1#
or resid 211 and name HG2#
or resid 219 and name HD1#
or resid 219 and name HD2#
) 4.7 0.9 0.9 volume=0.307 peak=193 ppm1=7.584 ppm2=0.851
assign ( resid 158 and name H
)
( resid 37 and name HB3
or resid 123 and name HD3
or resid 123 and name HD2
or resid 124 and name HB3
or resid 152 and name HD3
or resid 160 and name HB2
or resid 208 and name HB2
) 5.0 1.0 1.0 volume=0.071 peak=194 ppm1=8.307 ppm2=3.275
assign ( resid 158 and name H
)
( resid 10 and name HD1#
or resid 13 and name HG2#
or resid 13 and name HD1#
or resid 16 and name HD1#
or resid 16 and name HD2#
or resid 17 and name HG2#
or resid 20 and name HD2#
or resid 20 and name HD1#
or resid 40 and name HB2
or resid 43 and name HG2#
or resid 49 and name HG2#
or resid 53 and name HG1#
or resid 58 and name HG2#
or resid 61 and name HG2#
or resid 63 and name HG2#
or resid 68 and name HG1#
or resid 68 and name HG2#
or resid 77 and name HG2#
or resid 82 and name HD1#
or resid 87 and name HD1#
or resid 102 and name HD1#
or resid 102 and name HG2#
or resid 104 and name HD1#
or resid 110 and name HD1#
or resid 110 and name HD2#
or resid 126 and name HD1#
or resid 126 and name HD2#
or resid 132 and name HG2#
or resid 135 and name HD1#
or resid 135 and name HG2#
or resid 141 and name HD1#
or resid 142 and name HG1#
or resid 156 and name HD1#
or resid 159 and name HD1#
or resid 168 and name HG2#
or resid 173 and name HD1#
or resid 173 and name HG2#
or resid 180 and name HD2#
or resid 180 and name HD1#
or resid 188 and name HD1#
or resid 188 and name HD2#
or resid 202 and name HD2#
or resid 203 and name HG1#
or resid 206 and name HG1#
or resid 227 and name HD2#
or resid 227 and name HD1#
or resid 240 and name HD1#
) 5.1 1.0 1.0 volume=0.172 peak=195 ppm1=8.313 ppm2=0.995
assign ( resid 162 and name H
)
( resid 9 and name HH2
or resid 73 and name HD#
or resid 76 and name HD1
or resid 113 and name HD#
or resid 160 and name HD#
or resid 210 and name HZ
) 4.3 0.9 0.9 volume=0.242 peak=196 ppm1=7.740 ppm2=7.055
assign ( resid 199 and name H
)
( resid 20 and name HB2
or resid 21 and name HB#
or resid 110 and name HB3
or resid 111 and name HB#
or resid 137 and name HB2
or resid 186 and name HB#
or resid 195 and name HB#
or resid 197 and name HG12
or resid 228 and name HB#
or resid 236 and name HB#
or resid 238 and name HB#
) 3.9 0.8 0.8 volume=0.504 peak=197 ppm1=7.509 ppm2=1.551
assign ( resid 173 and name H
)
( resid 27 and name HG3
or resid 52 and name HB#
or resid 64 and name HB#
or resid 90 and name HB2
or resid 102 and name HG13
or resid 104 and name HB3
or resid 116 and name HB#
or resid 133 and name HB#
or resid 137 and name HG
or resid 159 and name HG
or resid 163 and name HB3
or resid 177 and name HG12
or resid 189 and name HG2#
or resid 197 and name HG12
or resid 200 and name HB3
or resid 215 and name HB#
or resid 219 and name HB3
or resid 221 and name HB#
) 3.8 0.8 0.8 volume=0.463 peak=198 ppm1=7.855 ppm2=1.635
assign ( resid 168 and name H
)
( resid 10 and name HG
or resid 16 and name HB2
or resid 33 and name HB3
or resid 47 and name HB#
or resid 100 and name HG12
or resid 100 and name HB
or resid 110 and name HB2
or resid 117 and name HE#
or resid 162 and name HB3
or resid 172 and name HB#
or resid 179 and name HB3
or resid 211 and name HG13
or resid 219 and name HB2
) 4.4 0.9 0.9 volume=0.173 peak=199 ppm1=8.815 ppm2=1.961
assign ( resid 168 and name H
)
( resid 17 and name HA
or resid 18 and name HA2
or resid 18 and name HA3
or resid 22 and name HB3
or resid 24 and name HB2
or resid 49 and name HA
or resid 52 and name HA
or resid 67 and name HB
or resid 73 and name HB2
or resid 74 and name HA
or resid 85 and name HB2
or resid 107 and name HA
or resid 127 and name HA
or resid 128 and name HA3
or resid 135 and name HA
or resid 143 and name HA2
or resid 164 and name HD3
or resid 178 and name HB3
or resid 178 and name HB2
or resid 192 and name HA
or resid 203 and name HA
or resid 207 and name HA2
or resid 210 and name HB3
or resid 223 and name HB3
) 3.9 0.8 0.8 volume=0.313 peak=200 ppm1=8.815 ppm2=3.563
assign ( resid 169 and name H
)
( resid 65 and name HA
or resid 67 and name HA
or resid 78 and name HA
or resid 103 and name HB
or resid 106 and name HB
or resid 109 and name HA
or resid 118 and name HA
or resid 120 and name HA3
or resid 141 and name HA
or resid 151 and name HA
or resid 170 and name HA
or resid 214 and name HA
or resid 225 and name HA
or resid 227 and name HA
or resid 228 and name HA
or resid 232 and name HA
) 4.7 0.9 0.9 volume=0.096 peak=201 ppm1=7.491 ppm2=4.540
assign ( resid 169 and name H
)
( resid 10 and name HG
or resid 16 and name HB2
or resid 47 and name HB#
or resid 100 and name HG12
or resid 100 and name HB
or resid 110 and name HB2
or resid 117 and name HE#
or resid 162 and name HB3
or resid 172 and name HB#
or resid 179 and name HB3
or resid 211 and name HG13
or resid 219 and name HB2
) 4.4 0.9 0.9 volume=0.189 peak=202 ppm1=7.492 ppm2=1.962
assign ( resid 218 and name H
)
( resid 5 and name HG2#
or resid 7 and name HG
or resid 7 and name HB2
or resid 10 and name HB2
or resid 25 and name HB#
or resid 27 and name HB3
or resid 33 and name HB3
or resid 56 and name HB3
or resid 63 and name HB
or resid 89 and name HB3
or resid 96 and name HB2
or resid 117 and name HE#
or resid 121 and name HG12
or resid 166 and name HG
or resid 194 and name HB
or resid 200 and name HG
or resid 213 and name HB2
or resid 219 and name HG
) 4.3 0.9 0.9 volume=0.195 peak=203 ppm1=7.962 ppm2=1.878
assign ( resid 171 and name H
)
( resid 10 and name HA
or resid 12 and name HA
or resid 21 and name HA
or resid 23 and name HA
or resid 35 and name HA
or resid 48 and name HA
or resid 79 and name HB
or resid 93 and name HA
or resid 96 and name HA
or resid 97 and name HA
or resid 122 and name HA
or resid 124 and name HA
or resid 126 and name HA
or resid 137 and name HA
or resid 172 and name HA
or resid 173 and name HA
or resid 179 and name HA
or resid 181 and name HA3
or resid 181 and name HA2
or resid 198 and name HA
or resid 201 and name HA
or resid 202 and name HA
or resid 204 and name HA
or resid 206 and name HA
or resid 224 and name HA2
or resid 224 and name HA3
or resid 237 and name HA
) 4.2 0.8 0.8 volume=0.192 peak=204 ppm1=9.895 ppm2=4.207
assign ( resid 171 and name H
)
( resid 4 and name HG
or resid 7 and name HG
or resid 12 and name HB#
or resid 56 and name HB3
or resid 72 and name HG3
or resid 72 and name HG2
or resid 74 and name HB
or resid 93 and name HG
or resid 96 and name HB2
or resid 102 and name HG12
or resid 121 and name HG12
or resid 179 and name HB2
or resid 179 and name HG
or resid 180 and name HB2
or resid 187 and name HG
or resid 187 and name HB3
or resid 187 and name HB2
or resid 197 and name HG13
or resid 200 and name HG
or resid 204 and name HG2#
or resid 213 and name HB2
or resid 219 and name HG
or resid 227 and name HG
or resid 240 and name HG
or resid 240 and name HB3
) 3.6 0.7 0.7 volume=0.544 peak=205 ppm1=9.874 ppm2=1.825
assign ( resid 176 and name H
)
( resid 2 and name HG1#
or resid 2 and name HG2#
or resid 7 and name HB3
or resid 17 and name HG1#
or resid 38 and name HG1#
or resid 41 and name HG1#
or resid 49 and name HG1#
or resid 70 and name HG2#
or resid 74 and name HG12
or resid 91 and name HB#
or resid 103 and name HG2#
or resid 107 and name HG2#
or resid 121 and name HD1#
or resid 131 and name HB#
or resid 132 and name HG1#
or resid 137 and name HD2#
or resid 141 and name HB3
or resid 166 and name HD1#
or resid 169 and name HG2#
or resid 170 and name HD2#
or resid 177 and name HG2#
or resid 185 and name HG1#
or resid 192 and name HG1#
) 4.2 0.8 0.8 volume=0.481 peak=206 ppm1=7.549 ppm2=1.197
assign ( resid 176 and name H
)
( resid 93 and name HD1#
or resid 93 and name HD2#
or resid 93 and name HB3
or resid 108 and name HG1#
or resid 177 and name HD1#
or resid 179 and name HD1#
or resid 194 and name HG2#
or resid 200 and name HD2#
) 4.3 0.9 0.9 volume=0.393 peak=207 ppm1=7.550 ppm2=0.777
assign ( resid 176 and name H
)
( resid 4 and name HG
or resid 7 and name HG
or resid 12 and name HB#
or resid 56 and name HB3
or resid 72 and name HG3
or resid 72 and name HG2
or resid 74 and name HB
or resid 93 and name HG
or resid 96 and name HB2
or resid 102 and name HG12
or resid 121 and name HG12
or resid 179 and name HB2
or resid 179 and name HG
or resid 180 and name HB2
or resid 187 and name HG
or resid 187 and name HB3
or resid 187 and name HB2
or resid 197 and name HG13
or resid 200 and name HG
or resid 204 and name HG2#
or resid 213 and name HB2
or resid 219 and name HG
or resid 227 and name HG
or resid 240 and name HG
or resid 240 and name HB3
) 3.8 0.8 0.8 volume=0.364 peak=208 ppm1=7.546 ppm2=1.822
assign ( resid 176 and name H
)
( resid 4 and name HB2
or resid 10 and name HG
or resid 16 and name HB2
or resid 46 and name HB
or resid 47 and name HB#
or resid 100 and name HG12
or resid 100 and name HB
or resid 110 and name HB2
or resid 110 and name HG
or resid 162 and name HB3
or resid 172 and name HB#
or resid 179 and name HB3
or resid 211 and name HG13
or resid 219 and name HB2
or resid 241 and name HB3
or resid 241 and name HB2
) 4.3 0.9 0.9 volume=0.191 peak=209 ppm1=7.558 ppm2=1.993
assign ( resid 176 and name H
)
( resid 10 and name HG
or resid 16 and name HB2
or resid 47 and name HB#
or resid 100 and name HG12
or resid 100 and name HB
or resid 110 and name HB2
or resid 117 and name HE#
or resid 162 and name HB3
or resid 172 and name HB#
or resid 179 and name HB3
or resid 211 and name HG13
or resid 219 and name HB2
) 4.4 0.9 0.9 volume=0.181 peak=210 ppm1=7.538 ppm2=1.963
assign ( resid 176 and name H
)
( resid 4 and name HA
or resid 13 and name HA
or resid 38 and name HA
or resid 45 and name HA3
or resid 50 and name HA
or resid 72 and name HA
or resid 84 and name HA
or resid 99 and name HA2
or resid 101 and name HA
or resid 113 and name HA
or resid 156 and name HA
or resid 167 and name HA
or resid 169 and name HA
or resid 177 and name HA
or resid 191 and name HA
or resid 200 and name HA
or resid 207 and name HA3
or resid 208 and name HA
or resid 211 and name HA
) 4.2 0.8 0.8 volume=0.204 peak=211 ppm1=7.550 ppm2=3.822
assign ( resid 178 and name H
)
( resid 10 and name HA
or resid 12 and name HA
or resid 21 and name HA
or resid 23 and name HA
or resid 35 and name HA
or resid 48 and name HA
or resid 79 and name HB
or resid 89 and name HA
or resid 93 and name HA
or resid 96 and name HA
or resid 97 and name HA
or resid 122 and name HA
or resid 124 and name HA
or resid 137 and name HA
or resid 147 and name HA
or resid 148 and name HA
or resid 150 and name HA
or resid 159 and name HA
or resid 172 and name HA
or resid 179 and name HA
or resid 181 and name HA3
or resid 181 and name HA2
or resid 198 and name HA
or resid 201 and name HA
or resid 202 and name HA
or resid 206 and name HA
or resid 218 and name HA
or resid 219 and name HA
or resid 237 and name HA
) 3.2 0.6 0.6 volume=1.007 peak=212 ppm1=8.196 ppm2=4.219
assign ( resid 178 and name H
)
( resid 10 and name HD1#
or resid 13 and name HG2#
or resid 13 and name HD1#
or resid 16 and name HD1#
or resid 16 and name HD2#
or resid 17 and name HG2#
or resid 40 and name HB2
or resid 43 and name HG2#
or resid 49 and name HG2#
or resid 53 and name HG1#
or resid 56 and name HD2#
or resid 61 and name HG2#
or resid 63 and name HG2#
or resid 68 and name HG1#
or resid 68 and name HG2#
or resid 77 and name HG2#
or resid 82 and name HD1#
or resid 84 and name HG2#
or resid 87 and name HD1#
or resid 87 and name HD2#
or resid 101 and name HG1#
or resid 102 and name HD1#
or resid 102 and name HG2#
or resid 104 and name HD1#
or resid 104 and name HD2#
or resid 110 and name HD2#
or resid 126 and name HD1#
or resid 126 and name HD2#
or resid 132 and name HG2#
or resid 135 and name HD1#
or resid 135 and name HG2#
or resid 141 and name HD1#
or resid 142 and name HG1#
or resid 142 and name HG2#
or resid 159 and name HD1#
or resid 166 and name HD2#
or resid 168 and name HG1#
or resid 168 and name HG2#
or resid 170 and name HD1#
or resid 173 and name HD1#
or resid 173 and name HG2#
or resid 180 and name HD2#
or resid 180 and name HD1#
or resid 188 and name HD1#
or resid 202 and name HD2#
or resid 203 and name HG1#
or resid 203 and name HG2#
or resid 206 and name HG1#
or resid 227 and name HD2#
or resid 227 and name HD1#
or resid 240 and name HD2#
or resid 240 and name HD1#
) 4.4 0.9 0.9 volume=0.438 peak=213 ppm1=8.197 ppm2=1.022
assign ( resid 178 and name HE1
)
( resid 8 and name H
or resid 20 and name H
or resid 33 and name H
or resid 46 and name H
or resid 84 and name H
or resid 91 and name H
or resid 105 and name H
or resid 106 and name H
or resid 112 and name H
or resid 123 and name H
or resid 124 and name H
or resid 135 and name H
or resid 147 and name H
or resid 163 and name H
or resid 178 and name H
or resid 193 and name H
or resid 216 and name H
or resid 217 and name H
or resid 228 and name H
or resid 239 and name H
or resid 241 and name H
) 4.1 0.8 0.8 volume=0.213 peak=214 ppm1=9.559 ppm2=8.237
assign ( resid 178 and name HE1
)
( resid 85 and name HE#
or resid 127 and name HD#
or resid 178 and name HZ3
) 4.4 0.9 0.9 volume=0.227 peak=215 ppm1=9.559 ppm2=6.495
assign ( resid 178 and name HE1
)
( resid 36 and name HE#
or resid 178 and name HH2
) 4.0 0.8 0.8 volume=0.354 peak=216 ppm1=9.562 ppm2=6.618
assign ( resid 179 and name H
)
( resid 72 and name H
or resid 85 and name HE#
or resid 127 and name HD#
or resid 178 and name HZ3
) 4.4 0.9 0.9 volume=0.189 peak=217 ppm1=8.167 ppm2=6.512
assign ( resid 179 and name H
)
( resid 45 and name HA2
or resid 58 and name HA
or resid 64 and name HA
or resid 70 and name HA
or resid 73 and name HA
or resid 75 and name HA
or resid 102 and name HA
or resid 104 and name HA
or resid 111 and name HA
or resid 115 and name HA2
or resid 115 and name HA3
or resid 131 and name HA
or resid 136 and name HA2
or resid 149 and name HA
or resid 174 and name HA
or resid 195 and name HA
) 3.8 0.8 0.8 volume=0.352 peak=218 ppm1=8.144 ppm2=3.989
assign ( resid 179 and name H
)
( resid 15 and name HE#
or resid 56 and name HG
or resid 61 and name HB
or resid 65 and name HG2
or resid 65 and name HG3
or resid 68 and name HB
or resid 102 and name HB
or resid 122 and name HB3
or resid 122 and name HB2
or resid 126 and name HG
or resid 126 and name HB3
or resid 147 and name HB3
or resid 147 and name HB2
or resid 156 and name HB
or resid 169 and name HB
or resid 170 and name HG
or resid 177 and name HB
or resid 180 and name HG
or resid 202 and name HB2
or resid 202 and name HG
or resid 213 and name HG
or resid 222 and name HB3
or resid 222 and name HB2
or resid 225 and name HB3
or resid 237 and name HB
) 3.8 0.8 0.8 volume=0.393 peak=219 ppm1=8.150 ppm2=2.202
assign ( resid 179 and name H
)
( resid 27 and name HG3
or resid 48 and name HB#
or resid 52 and name HB#
or resid 64 and name HB#
or resid 90 and name HB2
or resid 102 and name HG13
or resid 104 and name HB3
or resid 116 and name HB#
or resid 133 and name HB#
or resid 137 and name HG
or resid 159 and name HB2
or resid 159 and name HG
or resid 163 and name HB3
or resid 163 and name HG
or resid 177 and name HG12
or resid 189 and name HG2#
or resid 197 and name HG12
or resid 200 and name HB3
or resid 215 and name HB#
or resid 216 and name HB#
or resid 219 and name HB3
or resid 221 and name HB#
) 3.8 0.8 0.8 volume=0.467 peak=220 ppm1=8.148 ppm2=1.641
assign ( resid 181 and name H
)
( resid 38 and name HG2#
or resid 54 and name HE#
or resid 56 and name HD1#
or resid 84 and name HG1#
or resid 89 and name HG
or resid 91 and name HB#
or resid 103 and name HG2#
or resid 121 and name HG2#
or resid 137 and name HD1#
or resid 156 and name HG12
or resid 161 and name HG1#
or resid 169 and name HG2#
or resid 185 and name HG1#
or resid 185 and name HG2#
or resid 191 and name HG2#
or resid 211 and name HG12
) 4.4 0.9 0.9 volume=0.338 peak=221 ppm1=8.079 ppm2=1.265
assign ( resid 181 and name H
)
( resid 27 and name HG3
or resid 48 and name HB#
or resid 52 and name HB#
or resid 64 and name HB#
or resid 90 and name HB2
or resid 102 and name HG13
or resid 104 and name HB3
or resid 116 and name HB#
or resid 133 and name HB#
or resid 137 and name HG
or resid 159 and name HB2
or resid 159 and name HG
or resid 163 and name HB3
or resid 163 and name HG
or resid 177 and name HG12
or resid 189 and name HG2#
or resid 197 and name HG12
or resid 200 and name HB3
or resid 215 and name HB#
or resid 216 and name HB#
or resid 219 and name HB3
or resid 221 and name HB#
) 4.0 0.8 0.8 volume=0.339 peak=222 ppm1=8.076 ppm2=1.640
assign ( resid 181 and name H
)
( resid 13 and name HB
or resid 15 and name HE#
or resid 56 and name HG
or resid 61 and name HB
or resid 65 and name HG2
or resid 65 and name HG3
or resid 68 and name HB
or resid 78 and name HG
or resid 102 and name HB
or resid 122 and name HB3
or resid 122 and name HB2
or resid 126 and name HG
or resid 126 and name HB3
or resid 145 and name HE#
or resid 147 and name HB3
or resid 147 and name HB2
or resid 156 and name HB
or resid 169 and name HB
or resid 170 and name HG
or resid 177 and name HB
or resid 180 and name HG
or resid 202 and name HB2
or resid 202 and name HG
or resid 213 and name HG
or resid 222 and name HB3
or resid 222 and name HB2
or resid 237 and name HB
) 3.8 0.8 0.8 volume=0.349 peak=223 ppm1=8.072 ppm2=2.190
assign ( resid 181 and name H
)
( resid 18 and name HA2
or resid 18 and name HA3
or resid 22 and name HB3
or resid 24 and name HB2
or resid 51 and name HB2
or resid 67 and name HB
or resid 73 and name HB2
or resid 74 and name HA
or resid 86 and name HB2
or resid 107 and name HA
or resid 127 and name HA
or resid 128 and name HA3
or resid 134 and name HB3
or resid 134 and name HB2
or resid 176 and name HB2
or resid 178 and name HB3
or resid 178 and name HB2
or resid 210 and name HB3
or resid 223 and name HB3
) 4.2 0.8 0.8 volume=0.199 peak=224 ppm1=8.074 ppm2=3.513
assign ( resid 185 and name H
)
( resid 72 and name H
or resid 85 and name HE#
or resid 127 and name HD#
or resid 178 and name HZ3
) 4.5 0.9 0.9 volume=0.179 peak=225 ppm1=9.123 ppm2=6.511
assign ( resid 185 and name H
)
( resid 20 and name HB2
or resid 21 and name HB#
or resid 27 and name HG2
or resid 29 and name HB#
or resid 41 and name HG2#
or resid 78 and name HB2
or resid 108 and name HG2#
or resid 109 and name HE#
or resid 135 and name HG12
or resid 186 and name HB#
or resid 195 and name HB#
or resid 200 and name HB2
or resid 228 and name HB#
or resid 236 and name HB#
or resid 238 and name HB#
) 4.2 0.8 0.8 volume=0.374 peak=226 ppm1=9.124 ppm2=1.509
assign ( resid 185 and name H
)
( resid 40 and name HB2
or resid 56 and name HD2#
or resid 61 and name HG1#
or resid 61 and name HG2#
or resid 63 and name HG2#
or resid 68 and name HG1#
or resid 68 and name HG2#
or resid 77 and name HG12
or resid 82 and name HD1#
or resid 82 and name HD2#
or resid 84 and name HG2#
or resid 87 and name HD1#
or resid 87 and name HD2#
or resid 90 and name HD1#
or resid 100 and name HD1#
or resid 101 and name HG1#
or resid 101 and name HG2#
or resid 102 and name HD1#
or resid 102 and name HG2#
or resid 104 and name HD2#
or resid 132 and name HG2#
or resid 135 and name HD1#
or resid 135 and name HG2#
or resid 141 and name HD1#
or resid 142 and name HG1#
or resid 142 and name HG2#
or resid 149 and name HB#
or resid 156 and name HG2#
or resid 161 and name HG2#
or resid 166 and name HD2#
or resid 168 and name HG1#
or resid 168 and name HG2#
or resid 169 and name HG1#
or resid 170 and name HD1#
or resid 180 and name HD2#
or resid 180 and name HD1#
or resid 187 and name HD2#
or resid 187 and name HD1#
or resid 188 and name HD1#
or resid 197 and name HD1#
or resid 202 and name HD2#
or resid 203 and name HG2#
or resid 206 and name HG1#
or resid 213 and name HD1#
or resid 213 and name HD2#
or resid 227 and name HD2#
or resid 227 and name HD1#
or resid 230 and name HG1#
or resid 230 and name HG2#
or resid 237 and name HG1#
or resid 237 and name HG2#
or resid 240 and name HD2#
) 4.3 0.9 0.9 volume=0.453 peak=227 ppm1=9.123 ppm2=1.052
assign ( resid 186 and name H
)
( resid 6 and name HB
or resid 15 and name HA
or resid 67 and name HA
or resid 78 and name HA
or resid 81 and name HA
or resid 82 and name HA
or resid 103 and name HB
or resid 106 and name HB
or resid 146 and name HB
or resid 170 and name HA
or resid 187 and name HA
or resid 215 and name HA
or resid 218 and name HB
or resid 221 and name HA
or resid 225 and name HA
or resid 227 and name HA
or resid 228 and name HA
or resid 232 and name HB
or resid 232 and name HA
or resid 236 and name HA
or resid 238 and name HA
) 4.5 0.9 0.9 volume=0.132 peak=228 ppm1=8.021 ppm2=4.481
assign ( resid 188 and name H
)
( resid 1 and name HE#
or resid 2 and name HB
or resid 38 and name HB
or resid 53 and name HB
or resid 78 and name HB3
or resid 82 and name HG
or resid 118 and name HB
or resid 121 and name HB
or resid 132 and name HB
or resid 161 and name HB
or resid 173 and name HB
or resid 173 and name HG13
or resid 192 and name HB
or resid 198 and name HB
or resid 202 and name HB3
or resid 203 and name HB
or resid 225 and name HB3
or resid 230 and name HB
or resid 241 and name HG2
or resid 241 and name HG3
) 3.7 0.7 0.7 volume=0.463 peak=229 ppm1=8.033 ppm2=2.287
assign ( resid 189 and name H
)
( resid 3 and name HA2
or resid 10 and name HA
or resid 20 and name HA
or resid 23 and name HA
or resid 30 and name HA3
or resid 30 and name HA2
or resid 40 and name HA
or resid 79 and name HB
or resid 90 and name HA
or resid 93 and name HA
or resid 95 and name HB3
or resid 95 and name HB2
or resid 124 and name HA
or resid 126 and name HA
or resid 158 and name HB2
or resid 162 and name HA
or resid 167 and name HB
or resid 172 and name HA
or resid 173 and name HA
or resid 179 and name HA
or resid 181 and name HA3
or resid 181 and name HA2
or resid 198 and name HA
or resid 201 and name HA
or resid 202 and name HA
or resid 204 and name HA
or resid 212 and name HA
or resid 224 and name HA2
or resid 224 and name HA3
or resid 229 and name HA2
or resid 229 and name HA3
or resid 237 and name HA
) 3.6 0.7 0.7 volume=0.491 peak=230 ppm1=7.799 ppm2=4.173
assign ( resid 189 and name H
)
( resid 9 and name HB3
or resid 17 and name HA
or resid 24 and name HB3
or resid 43 and name HA
or resid 46 and name HA
or resid 49 and name HA
or resid 52 and name HA
or resid 53 and name HA
or resid 60 and name HB2
or resid 77 and name HA
or resid 85 and name HB2
or resid 91 and name HA
or resid 114 and name HA
or resid 135 and name HA
or resid 139 and name HB3
or resid 140 and name HA
or resid 143 and name HA2
or resid 192 and name HA
or resid 203 and name HA
) 4.3 0.9 0.9 volume=0.182 peak=231 ppm1=7.812 ppm2=3.631
assign ( resid 189 and name H
)
( resid 4 and name HG
or resid 7 and name HG
or resid 12 and name HB#
or resid 56 and name HB3
or resid 63 and name HB
or resid 72 and name HG3
or resid 72 and name HG2
or resid 74 and name HB
or resid 93 and name HG
or resid 96 and name HB2
or resid 121 and name HG12
or resid 166 and name HG
or resid 179 and name HB2
or resid 179 and name HG
or resid 180 and name HB2
or resid 187 and name HG
or resid 187 and name HB3
or resid 187 and name HB2
or resid 200 and name HG
or resid 204 and name HG2#
or resid 213 and name HB2
or resid 219 and name HG
) 3.4 0.7 0.7 volume=0.706 peak=232 ppm1=7.804 ppm2=1.836
assign ( resid 192 and name H
)
( resid 4 and name HD2#
or resid 7 and name HD2#
or resid 10 and name HD1#
or resid 13 and name HD1#
or resid 20 and name HD2#
or resid 20 and name HD1#
or resid 46 and name HG2#
or resid 46 and name HD1#
or resid 49 and name HG2#
or resid 53 and name HG1#
or resid 58 and name HG1#
or resid 58 and name HG2#
or resid 90 and name HD2#
or resid 104 and name HD1#
or resid 107 and name HG1#
or resid 110 and name HD1#
or resid 110 and name HD2#
or resid 138 and name HG2#
or resid 156 and name HD1#
or resid 188 and name HD2#
or resid 196 and name HD2#
or resid 198 and name HG1#
or resid 211 and name HD1#
) 4.0 0.8 0.8 volume=0.764 peak=233 ppm1=7.254 ppm2=0.939
assign ( resid 192 and name H
)
( resid 7 and name HG
or resid 7 and name HB2
or resid 12 and name HB#
or resid 25 and name HB#
or resid 56 and name HB3
or resid 63 and name HB
or resid 72 and name HG3
or resid 72 and name HG2
or resid 74 and name HB
or resid 93 and name HG
or resid 96 and name HB2
or resid 121 and name HG12
or resid 166 and name HG
or resid 179 and name HG
or resid 180 and name HB2
or resid 187 and name HG
or resid 187 and name HB3
or resid 187 and name HB2
or resid 194 and name HB
or resid 200 and name HG
or resid 204 and name HG2#
or resid 213 and name HB2
or resid 219 and name HG
) 4.3 0.9 0.9 volume=0.184 peak=234 ppm1=7.254 ppm2=1.843
assign ( resid 193 and name H
)
( resid 3 and name HA2
or resid 10 and name HA
or resid 23 and name HA
or resid 30 and name HA3
or resid 30 and name HA2
or resid 40 and name HA
or resid 79 and name HB
or resid 90 and name HA
or resid 93 and name HA
or resid 95 and name HB3
or resid 95 and name HB2
or resid 124 and name HA
or resid 126 and name HA
or resid 158 and name HB2
or resid 162 and name HA
or resid 172 and name HA
or resid 173 and name HA
or resid 179 and name HA
or resid 181 and name HA3
or resid 181 and name HA2
or resid 198 and name HA
or resid 201 and name HA
or resid 202 and name HA
or resid 204 and name HA
or resid 212 and name HA
or resid 224 and name HA2
or resid 224 and name HA3
or resid 237 and name HA
) 3.2 0.6 0.6 volume=1.073 peak=235 ppm1=8.207 ppm2=4.177
assign ( resid 194 and name H
)
( resid 1 and name HE#
or resid 2 and name HB
or resid 38 and name HB
or resid 53 and name HB
or resid 65 and name HG2
or resid 65 and name HG3
or resid 78 and name HB3
or resid 82 and name HG
or resid 118 and name HB
or resid 132 and name HB
or resid 161 and name HB
or resid 169 and name HB
or resid 170 and name HG
or resid 173 and name HB
or resid 173 and name HG13
or resid 177 and name HB
or resid 192 and name HB
or resid 203 and name HB
or resid 225 and name HB3
or resid 230 and name HB
or resid 237 and name HB
) 3.5 0.7 0.7 volume=0.632 peak=236 ppm1=8.142 ppm2=2.265
assign ( resid 198 and name H
)
( resid 20 and name HB2
or resid 21 and name HB#
or resid 108 and name HG2#
or resid 110 and name HB3
or resid 111 and name HB#
or resid 137 and name HB2
or resid 186 and name HB#
or resid 195 and name HB#
or resid 200 and name HB2
or resid 228 and name HB#
or resid 236 and name HB#
or resid 238 and name HB#
) 3.7 0.7 0.7 volume=0.759 peak=237 ppm1=8.749 ppm2=1.539
assign ( resid 198 and name H
)
( resid 5 and name HG2#
or resid 7 and name HG
or resid 7 and name HB2
or resid 10 and name HB2
or resid 25 and name HB#
or resid 27 and name HB3
or resid 33 and name HB3
or resid 56 and name HB3
or resid 63 and name HB
or resid 89 and name HB3
or resid 96 and name HB2
or resid 121 and name HG12
or resid 166 and name HG
or resid 180 and name HB2
or resid 194 and name HB
or resid 200 and name HG
or resid 213 and name HB2
or resid 219 and name HG
) 3.9 0.8 0.8 volume=0.320 peak=238 ppm1=8.744 ppm2=1.872
assign ( resid 198 and name H
)
( resid 13 and name HB
or resid 15 and name HE#
or resid 16 and name HB3
or resid 56 and name HG
or resid 61 and name HB
or resid 62 and name HB3
or resid 68 and name HB
or resid 78 and name HG
or resid 102 and name HB
or resid 122 and name HB3
or resid 122 and name HB2
or resid 126 and name HG
or resid 126 and name HB3
or resid 145 and name HE#
or resid 147 and name HB3
or resid 147 and name HB2
or resid 156 and name HB
or resid 168 and name HB
or resid 180 and name HG
or resid 202 and name HB2
or resid 202 and name HG
or resid 213 and name HG
or resid 213 and name HB3
or resid 222 and name HB3
or resid 222 and name HB2
or resid 225 and name HB2
) 4.0 0.8 0.8 volume=0.273 peak=239 ppm1=8.753 ppm2=2.166
assign ( resid 200 and name H
)
( resid 1 and name HE#
or resid 2 and name HB
or resid 38 and name HB
or resid 53 and name HB
or resid 62 and name HB2
or resid 78 and name HB3
or resid 82 and name HG
or resid 84 and name HB
or resid 118 and name HB
or resid 121 and name HB
or resid 132 and name HB
or resid 135 and name HB
or resid 147 and name HG2
or resid 147 and name HG3
or resid 161 and name HB
or resid 173 and name HB
or resid 173 and name HG13
or resid 197 and name HB
or resid 198 and name HB
or resid 202 and name HB3
or resid 203 and name HB
or resid 222 and name HG3
or resid 230 and name HB
or resid 241 and name HG2
or resid 241 and name HG3
) 3.7 0.7 0.7 volume=0.453 peak=240 ppm1=8.560 ppm2=2.322
assign ( resid 201 and name H
)
( resid 7 and name HG
or resid 7 and name HB2
or resid 10 and name HB2
or resid 12 and name HB#
or resid 25 and name HB#
or resid 56 and name HB3
or resid 63 and name HB
or resid 72 and name HG3
or resid 72 and name HG2
or resid 74 and name HB
or resid 93 and name HG
or resid 96 and name HB2
or resid 121 and name HG12
or resid 166 and name HG
or resid 179 and name HG
or resid 180 and name HB2
or resid 187 and name HG
or resid 187 and name HB2
or resid 194 and name HB
or resid 200 and name HG
or resid 204 and name HG2#
or resid 213 and name HB2
or resid 219 and name HG
) 3.6 0.7 0.7 volume=0.566 peak=241 ppm1=9.712 ppm2=1.847
assign ( resid 201 and name H
)
( resid 96 and name HD2
or resid 96 and name HD3
or resid 108 and name HA
or resid 138 and name HA
or resid 168 and name HA
or resid 186 and name HA
or resid 199 and name HB3
or resid 210 and name HB2
or resid 220 and name HD2
or resid 220 and name HD3
) 4.1 0.8 0.8 volume=0.242 peak=242 ppm1=9.728 ppm2=3.431
assign ( resid 202 and name H
)
( resid 4 and name HB2
or resid 10 and name HB3
or resid 13 and name HG13
or resid 20 and name HG
or resid 20 and name HB3
or resid 43 and name HB
or resid 46 and name HB
or resid 46 and name HG13
or resid 47 and name HB#
or resid 56 and name HB2
or resid 58 and name HB
or resid 77 and name HG13
or resid 77 and name HB
or resid 100 and name HG12
or resid 100 and name HB
or resid 101 and name HB
or resid 110 and name HB2
or resid 110 and name HG
or resid 129 and name HE#
or resid 162 and name HB3
or resid 162 and name HB2
or resid 211 and name HG13
or resid 211 and name HB
or resid 241 and name HB3
or resid 241 and name HB2
) 3.9 0.8 0.8 volume=0.342 peak=243 ppm1=8.487 ppm2=2.022
assign ( resid 202 and name H
)
( resid 31 and name HA
or resid 85 and name HA
or resid 117 and name HA
or resid 189 and name HA
or resid 204 and name HB
or resid 234 and name HA
) 3.2 0.6 0.6 volume=0.934 peak=244 ppm1=8.489 ppm2=4.695
assign ( resid 204 and name H
)
( resid 7 and name HD1#
or resid 43 and name HD1#
or resid 46 and name HD1#
or resid 63 and name HG1#
or resid 74 and name HG2#
or resid 77 and name HD1#
or resid 78 and name HD1#
or resid 78 and name HD2#
or resid 83 and name HG2#
or resid 179 and name HD2#
or resid 194 and name HG2#
or resid 196 and name HD1#
or resid 200 and name HD2#
or resid 202 and name HD1#
or resid 211 and name HG2#
or resid 219 and name HD1#
or resid 219 and name HD2#
) 4.8 1.0 1.0 volume=0.268 peak=245 ppm1=9.387 ppm2=0.853
assign ( resid 204 and name H
)
( resid 6 and name HG2#
or resid 19 and name HG2#
or resid 27 and name HG2
or resid 29 and name HB#
or resid 41 and name HG2#
or resid 50 and name HB#
or resid 70 and name HG1#
or resid 74 and name HG13
or resid 78 and name HB2
or resid 89 and name HB2
or resid 93 and name HB2
or resid 109 and name HE#
or resid 114 and name HB#
or resid 135 and name HG12
or resid 196 and name HB3
or resid 206 and name HG2#
or resid 212 and name HB#
or resid 218 and name HG2#
) 4.5 0.9 0.9 volume=0.219 peak=246 ppm1=9.392 ppm2=1.432
assign ( resid 205 and name H
)
( resid 7 and name HD1#
or resid 43 and name HD1#
or resid 46 and name HD1#
or resid 63 and name HG1#
or resid 74 and name HG2#
or resid 77 and name HD1#
or resid 78 and name HD1#
or resid 78 and name HD2#
or resid 83 and name HG2#
or resid 179 and name HD2#
or resid 194 and name HG2#
or resid 196 and name HD1#
or resid 198 and name HG1#
or resid 200 and name HD2#
or resid 202 and name HD1#
or resid 211 and name HG2#
or resid 219 and name HD1#
or resid 219 and name HD2#
) 4.2 0.8 0.8 volume=0.566 peak=247 ppm1=7.701 ppm2=0.857
assign ( resid 205 and name H
)
( resid 10 and name HG
or resid 16 and name HB2
or resid 47 and name HB#
or resid 100 and name HG12
or resid 100 and name HB
or resid 110 and name HB2
or resid 117 and name HE#
or resid 162 and name HB3
or resid 172 and name HB#
or resid 179 and name HB3
or resid 211 and name HG13
or resid 219 and name HB2
) 4.4 0.9 0.9 volume=0.179 peak=248 ppm1=7.706 ppm2=1.968
assign ( resid 205 and name H
)
( resid 13 and name HA
or resid 42 and name HA3
or resid 51 and name HA
or resid 86 and name HA
or resid 92 and name HA2
or resid 92 and name HA3
or resid 103 and name HA
or resid 145 and name HA
or resid 156 and name HA
or resid 160 and name HA
or resid 197 and name HA
or resid 200 and name HA
or resid 207 and name HA3
or resid 208 and name HA
) 4.2 0.8 0.8 volume=0.204 peak=249 ppm1=7.713 ppm2=3.888
assign ( resid 206 and name H
)
( resid 4 and name HD2#
or resid 7 and name HD1#
or resid 7 and name HD2#
or resid 43 and name HD1#
or resid 46 and name HD1#
or resid 58 and name HG1#
or resid 63 and name HG1#
or resid 74 and name HG2#
or resid 77 and name HD1#
or resid 78 and name HD1#
or resid 78 and name HD2#
or resid 83 and name HG2#
or resid 179 and name HD2#
or resid 196 and name HD1#
or resid 198 and name HG1#
or resid 202 and name HD1#
or resid 211 and name HG2#
or resid 219 and name HD1#
or resid 219 and name HD2#
) 4.2 0.8 0.8 volume=0.595 peak=250 ppm1=7.819 ppm2=0.870
assign ( resid 206 and name H
)
( resid 6 and name HB
or resid 15 and name HA
or resid 81 and name HA
or resid 82 and name HA
or resid 87 and name HA
or resid 103 and name HB
or resid 106 and name HB
or resid 146 and name HB
or resid 187 and name HA
or resid 215 and name HA
or resid 218 and name HB
or resid 221 and name HA
or resid 227 and name HA
or resid 228 and name HA
or resid 232 and name HB
or resid 232 and name HA
or resid 236 and name HA
or resid 238 and name HA
) 3.7 0.7 0.7 volume=0.408 peak=251 ppm1=7.828 ppm2=4.465
assign ( resid 206 and name H
)
( resid 10 and name H
or resid 19 and name H
or resid 34 and name H
or resid 53 and name H
or resid 80 and name H
or resid 96 and name H
or resid 97 and name H
or resid 99 and name H
or resid 104 and name H
or resid 107 and name H
or resid 180 and name H
or resid 195 and name H
or resid 203 and name H
or resid 214 and name H
or resid 224 and name H
or resid 226 and name H
or resid 227 and name H
or resid 229 and name H
or resid 236 and name H
) 3.9 0.8 0.8 volume=0.308 peak=252 ppm1=7.829 ppm2=8.375
assign ( resid 208 and name H
)
( resid 4 and name HD2#
or resid 7 and name HD1#
or resid 7 and name HD2#
or resid 43 and name HD1#
or resid 46 and name HG2#
or resid 46 and name HD1#
or resid 58 and name HG1#
or resid 74 and name HG2#
or resid 77 and name HD1#
or resid 78 and name HD1#
or resid 78 and name HD2#
or resid 83 and name HG2#
or resid 90 and name HD2#
or resid 107 and name HG1#
or resid 138 and name HG2#
or resid 179 and name HD2#
or resid 196 and name HD1#
or resid 196 and name HD2#
or resid 198 and name HG1#
or resid 202 and name HD1#
or resid 211 and name HG2#
or resid 211 and name HD1#
or resid 219 and name HD2#
) 4.9 1.0 1.0 volume=0.246 peak=253 ppm1=7.501 ppm2=0.899
assign ( resid 209 and name H
)
( resid 3 and name HA2
or resid 10 and name HA
or resid 20 and name HA
or resid 23 and name HA
or resid 30 and name HA3
or resid 30 and name HA2
or resid 40 and name HA
or resid 79 and name HB
or resid 90 and name HA
or resid 93 and name HA
or resid 95 and name HB3
or resid 95 and name HB2
or resid 124 and name HA
or resid 126 and name HA
or resid 158 and name HB2
or resid 162 and name HA
or resid 167 and name HB
or resid 172 and name HA
or resid 173 and name HA
or resid 179 and name HA
or resid 181 and name HA3
or resid 181 and name HA2
or resid 198 and name HA
or resid 201 and name HA
or resid 202 and name HA
or resid 204 and name HA
or resid 212 and name HA
or resid 224 and name HA2
or resid 224 and name HA3
or resid 229 and name HA2
or resid 229 and name HA3
or resid 237 and name HA
) 3.9 0.8 0.8 volume=0.299 peak=254 ppm1=8.067 ppm2=4.174
assign ( resid 209 and name H
)
( resid 4 and name HD2#
or resid 7 and name HD1#
or resid 7 and name HD2#
or resid 43 and name HD1#
or resid 46 and name HG2#
or resid 46 and name HD1#
or resid 58 and name HG1#
or resid 74 and name HG2#
or resid 77 and name HD1#
or resid 78 and name HD1#
or resid 78 and name HD2#
or resid 83 and name HG2#
or resid 90 and name HD2#
or resid 107 and name HG1#
or resid 138 and name HG2#
or resid 179 and name HD2#
or resid 196 and name HD1#
or resid 196 and name HD2#
or resid 198 and name HG1#
or resid 202 and name HD1#
or resid 211 and name HG2#
or resid 211 and name HD1#
or resid 219 and name HD2#
) 4.9 1.0 1.0 volume=0.244 peak=255 ppm1=8.069 ppm2=0.894
assign ( resid 210 and name H
)
( resid 9 and name HZ3
or resid 86 and name HE#
or resid 113 and name HD#
or resid 139 and name HD#
or resid 199 and name HD#
or resid 208 and name HD#
) 4.7 0.9 0.9 volume=0.163 peak=256 ppm1=9.169 ppm2=6.992
assign ( resid 210 and name H
)
( resid 4 and name HD2#
or resid 7 and name HD1#
or resid 7 and name HD2#
or resid 43 and name HD1#
or resid 46 and name HG2#
or resid 46 and name HD1#
or resid 58 and name HG1#
or resid 58 and name HG2#
or resid 74 and name HG2#
or resid 77 and name HD1#
or resid 78 and name HD1#
or resid 78 and name HD2#
or resid 83 and name HG2#
or resid 90 and name HD2#
or resid 107 and name HG1#
or resid 138 and name HG2#
or resid 179 and name HD2#
or resid 196 and name HD1#
or resid 196 and name HD2#
or resid 198 and name HG1#
or resid 202 and name HD1#
or resid 211 and name HG2#
or resid 211 and name HD1#
) 4.7 0.9 0.9 volume=0.296 peak=257 ppm1=9.171 ppm2=0.901
assign ( resid 210 and name H
)
( resid 3 and name HA2
or resid 10 and name HA
or resid 12 and name HA
or resid 23 and name HA
or resid 30 and name HA3
or resid 30 and name HA2
or resid 40 and name HA
or resid 79 and name HB
or resid 90 and name HA
or resid 93 and name HA
or resid 95 and name HB3
or resid 95 and name HB2
or resid 124 and name HA
or resid 126 and name HA
or resid 158 and name HB2
or resid 162 and name HA
or resid 172 and name HA
or resid 173 and name HA
or resid 179 and name HA
or resid 181 and name HA3
or resid 181 and name HA2
or resid 198 and name HA
or resid 201 and name HA
or resid 202 and name HA
or resid 204 and name HA
or resid 212 and name HA
or resid 224 and name HA2
or resid 224 and name HA3
or resid 237 and name HA
) 3.7 0.7 0.7 volume=0.393 peak=258 ppm1=9.170 ppm2=4.182
assign ( resid 212 and name H
)
( resid 17 and name HA
or resid 18 and name HA2
or resid 18 and name HA3
or resid 22 and name HB3
or resid 24 and name HB2
or resid 67 and name HB
or resid 73 and name HB2
or resid 74 and name HA
or resid 85 and name HB2
or resid 86 and name HB2
or resid 107 and name HA
or resid 127 and name HA
or resid 128 and name HA3
or resid 135 and name HA
or resid 143 and name HA2
or resid 164 and name HD3
or resid 176 and name HB2
or resid 178 and name HB3
or resid 178 and name HB2
or resid 203 and name HA
or resid 207 and name HA2
or resid 210 and name HB3
or resid 223 and name HB3
) 4.0 0.8 0.8 volume=0.254 peak=259 ppm1=7.828 ppm2=3.553
assign ( resid 217 and name H
)
( resid 10 and name H
or resid 19 and name H
or resid 34 and name H
or resid 53 and name H
or resid 55 and name H
or resid 96 and name H
or resid 97 and name H
or resid 104 and name H
or resid 107 and name H
or resid 180 and name H
or resid 195 and name H
or resid 203 and name H
or resid 214 and name H
or resid 224 and name H
or resid 226 and name H
or resid 227 and name H
or resid 236 and name H
) 3.8 0.8 0.8 volume=0.341 peak=260 ppm1=8.253 ppm2=8.391
assign ( resid 217 and name H
)
( resid 5 and name HG2#
or resid 10 and name HG
or resid 16 and name HB2
or resid 27 and name HB3
or resid 33 and name HB3
or resid 47 and name HB#
or resid 89 and name HB3
or resid 100 and name HG12
or resid 100 and name HB
or resid 110 and name HB2
or resid 117 and name HE#
or resid 162 and name HB3
or resid 172 and name HB#
or resid 179 and name HB3
or resid 211 and name HG13
or resid 219 and name HB2
) 5.0 1.0 1.0 volume=0.084 peak=261 ppm1=8.242 ppm2=1.948
assign ( resid 217 and name H
)
( resid 5 and name HG2#
or resid 7 and name HG
or resid 7 and name HB2
or resid 10 and name HB2
or resid 25 and name HB#
or resid 27 and name HB3
or resid 33 and name HB3
or resid 56 and name HB3
or resid 63 and name HB
or resid 89 and name HB3
or resid 96 and name HB2
or resid 117 and name HE#
or resid 121 and name HG12
or resid 166 and name HG
or resid 194 and name HB
or resid 200 and name HG
or resid 213 and name HB2
or resid 219 and name HG
) 4.6 0.9 0.9 volume=0.130 peak=262 ppm1=8.242 ppm2=1.888
assign ( resid 218 and name H
)
( resid 28 and name HB3
or resid 214 and name HB3
or resid 214 and name HB2
or resid 231 and name HB2
or resid 233 and name HB3
or resid 233 and name HB2
or resid 239 and name HB2
) 5.4 1.1 1.1 volume=0.042 peak=263 ppm1=7.964 ppm2=2.827
assign ( resid 218 and name H
)
( resid 19 and name HB
or resid 44 and name HA
or resid 47 and name HA
or resid 65 and name HA
or resid 109 and name HA
or resid 118 and name HA
or resid 120 and name HA3
or resid 151 and name HA
or resid 152 and name HA
or resid 180 and name HA
or resid 210 and name HA
or resid 214 and name HA
) 5.2 1.0 1.0 volume=0.053 peak=264 ppm1=7.959 ppm2=4.599
assign ( resid 218 and name H
)
( resid 26 and name H
or resid 58 and name H
or resid 60 and name HE3
or resid 90 and name H
or resid 101 and name H
or resid 167 and name H
or resid 173 and name H
or resid 189 and name H
or resid 191 and name H
or resid 206 and name H
or resid 212 and name H
or resid 221 and name H
) 5.1 1.0 1.0 volume=0.064 peak=265 ppm1=7.964 ppm2=7.829
assign ( resid 220 and name H
)
( resid 28 and name HB2
or resid 33 and name HG3
or resid 33 and name HG2
or resid 73 and name HB3
or resid 75 and name HB2
or resid 86 and name HB3
or resid 90 and name HB3
or resid 97 and name HG3
or resid 122 and name HG2
or resid 129 and name HG3
or resid 145 and name HG2
or resid 145 and name HG3
or resid 170 and name HB3
or resid 222 and name HG2
or resid 225 and name HG2
or resid 225 and name HG3
) 5.4 1.1 1.1 volume=0.044 peak=266 ppm1=7.995 ppm2=2.496
assign ( resid 221 and name H
)
( resid 20 and name H
or resid 41 and name H
or resid 43 and name H
or resid 52 and name H
or resid 80 and name H
or resid 84 and name H
or resid 91 and name H
or resid 99 and name H
or resid 106 and name H
or resid 112 and name H
or resid 123 and name H
or resid 140 and name H
or resid 143 and name H
or resid 158 and name H
or resid 216 and name H
or resid 217 and name H
or resid 223 and name H
or resid 238 and name H
or resid 241 and name H
) 5.2 1.0 1.0 volume=0.053 peak=267 ppm1=7.860 ppm2=8.281
assign ( resid 221 and name H
)
( resid 28 and name HB2
or resid 33 and name HG3
or resid 33 and name HG2
or resid 73 and name HB3
or resid 75 and name HB2
or resid 86 and name HB3
or resid 90 and name HB3
or resid 97 and name HG3
or resid 122 and name HG2
or resid 129 and name HG3
or resid 145 and name HG2
or resid 145 and name HG3
or resid 170 and name HB3
or resid 222 and name HG2
or resid 225 and name HG2
or resid 225 and name HG3
) 5.0 1.0 1.0 volume=0.071 peak=268 ppm1=7.857 ppm2=2.490
assign ( resid 221 and name H
)
( resid 17 and name HB
or resid 62 and name HB2
or resid 65 and name HB3
or resid 65 and name HB2
or resid 84 and name HB
or resid 107 and name HB
or resid 135 and name HB
or resid 137 and name HB3
or resid 142 and name HB
or resid 147 and name HG2
or resid 147 and name HG3
or resid 197 and name HB
or resid 198 and name HB
or resid 202 and name HB3
or resid 222 and name HG3
or resid 241 and name HG2
or resid 241 and name HG3
) 5.6 1.1 1.1 volume=0.035 peak=269 ppm1=7.860 ppm2=2.368
assign ( resid 221 and name H
)
( resid 5 and name HG2#
or resid 7 and name HB2
or resid 10 and name HG
or resid 10 and name HB2
or resid 16 and name HB2
or resid 27 and name HB3
or resid 33 and name HB3
or resid 47 and name HB#
or resid 89 and name HB3
or resid 100 and name HG12
or resid 110 and name HB2
or resid 117 and name HE#
or resid 172 and name HB#
or resid 179 and name HB3
or resid 211 and name HG13
or resid 219 and name HB2
) 4.4 0.9 0.9 volume=0.174 peak=270 ppm1=7.856 ppm2=1.942
assign ( resid 222 and name H
)
( resid 9 and name HZ2
or resid 37 and name H
or resid 56 and name H
or resid 76 and name HH2
or resid 93 and name H
or resid 124 and name HD#
or resid 134 and name HZ
or resid 151 and name HE22
or resid 176 and name HE#
or resid 223 and name HD2
) 5.3 1.1 1.1 volume=0.053 peak=271 ppm1=8.110 ppm2=7.424
assign ( resid 224 and name H
)
( resid 2 and name HA
or resid 3 and name HA3
or resid 5 and name HA
or resid 6 and name HA
or resid 24 and name HA
or resid 29 and name HA
or resid 37 and name HA
or resid 79 and name HA
or resid 105 and name HA
or resid 106 and name HA
or resid 110 and name HA
or resid 120 and name HA2
or resid 121 and name HA
or resid 123 and name HA
or resid 125 and name HA
or resid 142 and name HA
or resid 158 and name HA
or resid 184 and name HA2
or resid 185 and name HA
or resid 217 and name HA
or resid 220 and name HA
or resid 230 and name HA
or resid 234 and name HB
or resid 240 and name HA
or resid 241 and name HA
) 5.4 1.1 1.1 volume=0.043 peak=272 ppm1=8.369 ppm2=4.324
assign ( resid 94 and name H
)
( resid 9 and name HB2
or resid 11 and name HA2
or resid 11 and name HA3
or resid 22 and name HB2
or resid 85 and name HB3
or resid 96 and name HD2
or resid 96 and name HD3
or resid 98 and name HB3
or resid 113 and name HB3
or resid 113 and name HB2
or resid 138 and name HA
or resid 140 and name HB2
or resid 143 and name HA3
or resid 152 and name HD2
or resid 199 and name HB3
or resid 210 and name HB2
or resid 220 and name HD2
or resid 220 and name HD3
or resid 223 and name HB2
) 3.5 0.7 0.7 volume=0.581 peak=273 ppm1=8.449 ppm2=3.377
assign ( resid 94 and name H
or resid 225 and name H
)
( resid 18 and name HA2
or resid 18 and name HA3
or resid 22 and name HB3
or resid 24 and name HB2
or resid 67 and name HB
or resid 73 and name HB2
or resid 74 and name HA
or resid 85 and name HB2
or resid 86 and name HB2
or resid 107 and name HA
or resid 127 and name HA
or resid 128 and name HA3
or resid 143 and name HA2
or resid 164 and name HD3
or resid 176 and name HB2
or resid 178 and name HB3
or resid 178 and name HB2
or resid 203 and name HA
or resid 207 and name HA2
or resid 210 and name HB3
or resid 223 and name HB3
) 4.4 0.9 0.9 volume=0.149 peak=274 ppm1=8.454 ppm2=3.546
assign ( resid 9 and name HE1
)
( resid 5 and name H
or resid 19 and name H
or resid 53 and name H
or resid 55 and name H
or resid 77 and name H
or resid 94 and name H
or resid 96 and name H
or resid 104 and name H
or resid 141 and name H
or resid 180 and name H
or resid 203 and name H
or resid 214 and name H
or resid 225 and name H
or resid 226 and name H
or resid 233 and name H
) 4.0 0.8 0.8 volume=0.273 peak=275 ppm1=10.319 ppm2=8.431
assign ( resid 9 and name HE1
)
( resid 9 and name HZ3
or resid 82 and name H
or resid 86 and name HE#
or resid 139 and name HD#
or resid 199 and name HD#
or resid 208 and name HD#
) 4.3 0.9 0.9 volume=0.247 peak=276 ppm1=10.322 ppm2=6.956
assign ( resid 9 and name HE1
)
( resid 3 and name HA2
or resid 7 and name HA
or resid 16 and name HA
or resid 20 and name HA
or resid 25 and name HA
or resid 36 and name HA
or resid 41 and name HA
or resid 55 and name HA
or resid 63 and name HA
or resid 68 and name HA
or resid 95 and name HB3
or resid 95 and name HB2
or resid 99 and name HA3
or resid 116 and name HA
or resid 129 and name HA
or resid 133 and name HA
or resid 139 and name HA
or resid 146 and name HA
or resid 158 and name HB3
or resid 163 and name HA
or resid 166 and name HA
or resid 167 and name HB
or resid 184 and name HA3
or resid 191 and name HB
or resid 196 and name HA
or resid 199 and name HA
or resid 213 and name HA
or resid 216 and name HA
or resid 226 and name HB3
or resid 226 and name HB2
or resid 229 and name HA2
or resid 229 and name HA3
) 3.9 0.8 0.8 volume=0.324 peak=277 ppm1=10.319 ppm2=4.092
assign ( resid 9 and name HE1
)
( resid 10 and name HD1#
or resid 13 and name HG2#
or resid 13 and name HD1#
or resid 16 and name HD1#
or resid 16 and name HD2#
or resid 17 and name HG2#
or resid 40 and name HB2
or resid 43 and name HG2#
or resid 49 and name HG2#
or resid 53 and name HG1#
or resid 56 and name HD2#
or resid 61 and name HG2#
or resid 63 and name HG2#
or resid 68 and name HG1#
or resid 68 and name HG2#
or resid 77 and name HG2#
or resid 82 and name HD1#
or resid 87 and name HD1#
or resid 87 and name HD2#
or resid 101 and name HG1#
or resid 102 and name HD1#
or resid 102 and name HG2#
or resid 104 and name HD1#
or resid 104 and name HD2#
or resid 110 and name HD2#
or resid 126 and name HD1#
or resid 126 and name HD2#
or resid 132 and name HG2#
or resid 135 and name HD1#
or resid 135 and name HG2#
or resid 141 and name HD1#
or resid 142 and name HG1#
or resid 142 and name HG2#
or resid 159 and name HD1#
or resid 166 and name HD2#
or resid 168 and name HG1#
or resid 168 and name HG2#
or resid 173 and name HD1#
or resid 173 and name HG2#
or resid 180 and name HD2#
or resid 180 and name HD1#
or resid 188 and name HD1#
or resid 202 and name HD2#
or resid 203 and name HG1#
or resid 203 and name HG2#
or resid 206 and name HG1#
or resid 227 and name HD2#
or resid 227 and name HD1#
or resid 240 and name HD2#
or resid 240 and name HD1#
) 4.2 0.8 0.8 volume=0.530 peak=278 ppm1=10.321 ppm2=1.019
assign ( resid 178 and name HE1
)
( resid 9 and name HH2
or resid 73 and name HD#
or resid 76 and name HD1
or resid 86 and name HE#
or resid 113 and name HD#
or resid 160 and name HD#
or resid 199 and name HD#
or resid 210 and name HZ
) 4.5 0.9 0.9 volume=0.196 peak=279 ppm1=9.558 ppm2=7.046
assign ( resid 178 and name HE1
)
( resid 27 and name H
or resid 37 and name HD#
or resid 37 and name H
or resid 56 and name H
or resid 76 and name HH2
or resid 86 and name HD#
or resid 93 and name H
or resid 118 and name H
or resid 124 and name HD#
or resid 134 and name HZ
or resid 151 and name HE22
or resid 176 and name HE#
or resid 223 and name HD2
) 4.2 0.8 0.8 volume=0.216 peak=280 ppm1=9.559 ppm2=7.406
assign ( resid 178 and name HE1
)
( resid 17 and name H
or resid 66 and name H
or resid 86 and name H
or resid 95 and name H
or resid 102 and name H
or resid 111 and name H
or resid 115 and name H
or resid 121 and name H
or resid 131 and name H
or resid 138 and name H
or resid 142 and name H
or resid 165 and name H
) 4.3 0.9 0.9 volume=0.170 peak=281 ppm1=9.561 ppm2=8.696
assign ( resid 22 and name H
)
( resid 5 and name HG2#
or resid 7 and name HG
or resid 7 and name HB2
or resid 10 and name HB2
or resid 25 and name HB#
or resid 27 and name HB3
or resid 33 and name HB3
or resid 56 and name HB3
or resid 63 and name HB
or resid 89 and name HB3
or resid 96 and name HB2
or resid 117 and name HE#
or resid 121 and name HG12
or resid 166 and name HG
or resid 194 and name HB
or resid 200 and name HG
or resid 213 and name HB2
or resid 219 and name HG
) 3.6 0.7 0.7 volume=0.529 peak=282 ppm1=8.741 ppm2=1.893
assign ( resid 3 and name H
)
( resid 5 and name H
or resid 10 and name H
or resid 19 and name H
or resid 53 and name H
or resid 55 and name H
or resid 96 and name H
or resid 104 and name H
or resid 141 and name H
or resid 180 and name H
or resid 203 and name H
or resid 214 and name H
or resid 224 and name H
or resid 225 and name H
or resid 226 and name H
or resid 233 and name H
or resid 236 and name H
) 4.3 0.9 0.9 volume=0.164 peak=283 ppm1=8.616 ppm2=8.411
assign ( resid 4 and name H
)
( resid 5 and name HG2#
or resid 7 and name HB2
or resid 10 and name HG
or resid 10 and name HB2
or resid 16 and name HB2
or resid 25 and name HB#
or resid 27 and name HB3
or resid 33 and name HB3
or resid 63 and name HB
or resid 89 and name HB3
or resid 100 and name HG12
or resid 117 and name HE#
or resid 166 and name HG
or resid 172 and name HB#
or resid 179 and name HB3
or resid 194 and name HB
or resid 219 and name HB2
) 3.5 0.7 0.7 volume=0.748 peak=284 ppm1=8.146 ppm2=1.926
assign ( resid 8 and name H
)
( resid 6 and name HG2#
or resid 19 and name HG2#
or resid 27 and name HG2
or resid 29 and name HB#
or resid 41 and name HG2#
or resid 50 and name HB#
or resid 70 and name HG1#
or resid 74 and name HG13
or resid 78 and name HB2
or resid 89 and name HB2
or resid 109 and name HE#
or resid 114 and name HB#
or resid 135 and name HG12
or resid 206 and name HG2#
or resid 212 and name HB#
) 3.8 0.8 0.8 volume=0.655 peak=285 ppm1=8.189 ppm2=1.440
assign ( resid 9 and name H
)
( resid 10 and name HA
or resid 12 and name HA
or resid 23 and name HA
or resid 30 and name HA3
or resid 35 and name HA
or resid 40 and name HA
or resid 48 and name HA
or resid 79 and name HB
or resid 90 and name HA
or resid 93 and name HA
or resid 97 and name HA
or resid 122 and name HA
or resid 124 and name HA
or resid 126 and name HA
or resid 172 and name HA
or resid 173 and name HA
or resid 179 and name HA
or resid 181 and name HA3
or resid 181 and name HA2
or resid 198 and name HA
or resid 201 and name HA
or resid 202 and name HA
or resid 204 and name HA
or resid 206 and name HA
or resid 224 and name HA2
or resid 224 and name HA3
or resid 237 and name HA
) 3.9 0.8 0.8 volume=0.319 peak=286 ppm1=8.782 ppm2=4.197
assign ( resid 9 and name H
)
( resid 4 and name HB2
or resid 10 and name HB3
or resid 13 and name HG13
or resid 16 and name HB3
or resid 20 and name HG
or resid 20 and name HB3
or resid 33 and name HB2
or resid 40 and name HB3
or resid 40 and name HG
or resid 43 and name HB
or resid 46 and name HG13
or resid 56 and name HB2
or resid 58 and name HB
or resid 77 and name HG13
or resid 77 and name HB
or resid 90 and name HG
or resid 101 and name HB
or resid 129 and name HE#
or resid 135 and name HG13
or resid 138 and name HB
or resid 141 and name HB2
or resid 141 and name HG
or resid 159 and name HB3
or resid 162 and name HB2
or resid 168 and name HB
or resid 180 and name HB3
or resid 188 and name HG
or resid 196 and name HG
or resid 196 and name HB2
or resid 211 and name HB
or resid 213 and name HB3
or resid 225 and name HB2
or resid 241 and name HB3
or resid 241 and name HB2
) 3.8 0.8 0.8 volume=0.362 peak=287 ppm1=8.801 ppm2=2.081
assign ( resid 9 and name H
)
( resid 2 and name HG1#
or resid 2 and name HG2#
or resid 7 and name HB3
or resid 17 and name HG1#
or resid 38 and name HG1#
or resid 41 and name HG1#
or resid 53 and name HG2#
or resid 70 and name HG2#
or resid 83 and name HD1#
or resid 100 and name HG13
or resid 107 and name HG2#
or resid 118 and name HG1#
or resid 118 and name HG2#
or resid 132 and name HG1#
or resid 166 and name HD1#
or resid 170 and name HD2#
or resid 177 and name HG2#
or resid 192 and name HG1#
or resid 192 and name HG2#
or resid 198 and name HG2#
) 4.5 0.9 0.9 volume=0.321 peak=288 ppm1=8.778 ppm2=1.155
assign ( resid 10 and name H
)
( resid 4 and name HB3
or resid 6 and name HG2#
or resid 13 and name HG12
or resid 19 and name HG2#
or resid 27 and name HG2
or resid 41 and name HG2#
or resid 50 and name HB#
or resid 70 and name HG1#
or resid 74 and name HG13
or resid 89 and name HB2
or resid 93 and name HB2
or resid 109 and name HE#
or resid 114 and name HB#
or resid 173 and name HG12
or resid 177 and name HG13
or resid 196 and name HB3
or resid 206 and name HG2#
or resid 212 and name HB#
or resid 218 and name HG2#
) 3.9 0.8 0.8 volume=0.483 peak=289 ppm1=8.366 ppm2=1.424
assign ( resid 10 and name H
)
( resid 8 and name HD#
or resid 22 and name HE#
or resid 22 and name HD#
or resid 24 and name HZ3
or resid 51 and name HE#
or resid 60 and name HD1
or resid 74 and name H
or resid 113 and name HE#
or resid 127 and name HE#
or resid 140 and name HD#
or resid 165 and name HD22
or resid 184 and name H
) 5.0 1.0 1.0 volume=0.099 peak=290 ppm1=8.363 ppm2=7.165
assign ( resid 15 and name H
)
( resid 24 and name HE3
or resid 24 and name HZ2
or resid 51 and name HD#
or resid 105 and name HD21
or resid 109 and name H
or resid 151 and name H
or resid 152 and name H
or resid 156 and name H
or resid 165 and name HD21
or resid 166 and name H
or resid 174 and name H
or resid 176 and name HD#
or resid 176 and name H
or resid 210 and name HD#
) 4.1 0.8 0.8 volume=0.256 peak=291 ppm1=8.511 ppm2=7.589
assign ( resid 18 and name H
)
( resid 8 and name HD#
or resid 9 and name HH2
or resid 22 and name HE#
or resid 24 and name HZ3
or resid 51 and name HE#
or resid 60 and name HD1
or resid 113 and name HE#
or resid 140 and name HD#
or resid 146 and name H
or resid 174 and name HD#
or resid 184 and name H
or resid 210 and name HZ
) 4.7 0.9 0.9 volume=0.141 peak=292 ppm1=7.960 ppm2=7.134
assign ( resid 25 and name H
)
( resid 9 and name HB2
or resid 11 and name HA2
or resid 11 and name HA3
or resid 22 and name HB2
or resid 85 and name HB3
or resid 98 and name HB3
or resid 113 and name HB3
or resid 113 and name HB2
or resid 123 and name HD3
or resid 123 and name HD2
or resid 140 and name HB2
or resid 143 and name HA3
or resid 152 and name HD2
or resid 194 and name HA
or resid 223 and name HB2
) 5.1 1.0 1.0 volume=0.064 peak=293 ppm1=8.755 ppm2=3.326
assign ( resid 241 and name H
)
( resid 28 and name HB3
or resid 214 and name HB3
or resid 214 and name HB2
or resid 231 and name HB2
or resid 233 and name HB3
or resid 233 and name HB2
or resid 239 and name HB2
) 5.0 1.0 1.0 volume=0.072 peak=294 ppm1=8.288 ppm2=2.835
assign ( resid 220 and name H
)
( resid 4 and name HB3
or resid 6 and name HG2#
or resid 13 and name HG12
or resid 19 and name HG2#
or resid 50 and name HB#
or resid 70 and name HG1#
or resid 74 and name HG13
or resid 89 and name HB2
or resid 93 and name HB2
or resid 114 and name HB#
or resid 173 and name HG12
or resid 177 and name HG13
or resid 196 and name HB3
or resid 206 and name HG2#
or resid 212 and name HB#
or resid 218 and name HG2#
or resid 234 and name HG2#
) 5.7 1.1 1.1 volume=0.047 peak=295 ppm1=7.999 ppm2=1.405
assign ( resid 45 and name H
)
( resid 15 and name HE#
or resid 61 and name HB
or resid 65 and name HG2
or resid 65 and name HG3
or resid 68 and name HB
or resid 102 and name HB
or resid 126 and name HG
or resid 126 and name HB3
or resid 156 and name HB
or resid 169 and name HB
or resid 170 and name HG
or resid 177 and name HB
or resid 180 and name HG
or resid 192 and name HB
or resid 202 and name HB2
or resid 225 and name HB3
or resid 237 and name HB
) 4.2 0.8 0.8 volume=0.212 peak=296 ppm1=9.071 ppm2=2.213
assign ( resid 51 and name H
)
( resid 33 and name HG3
or resid 33 and name HG2
or resid 49 and name HB
or resid 65 and name HB3
or resid 65 and name HB2
or resid 73 and name HB3
or resid 75 and name HB2
or resid 86 and name HB3
or resid 90 and name HB3
or resid 122 and name HG2
or resid 170 and name HB3
or resid 222 and name HG2
or resid 225 and name HG2
or resid 225 and name HG3
) 3.8 0.8 0.8 volume=0.381 peak=297 ppm1=8.962 ppm2=2.462
assign ( resid 52 and name H
)
( resid 8 and name HA
or resid 9 and name HA
or resid 22 and name HA
or resid 28 and name HA
or resid 66 and name HA
or resid 94 and name HA
or resid 189 and name HB
or resid 223 and name HA
) 5.0 1.0 1.0 volume=0.072 peak=298 ppm1=8.309 ppm2=4.925
assign ( resid 55 and name H
)
( resid 5 and name HB
or resid 8 and name HA
or resid 19 and name HA
or resid 22 and name HA
or resid 189 and name HB
or resid 223 and name HA
or resid 231 and name HA
or resid 233 and name HA
) 4.0 0.8 0.8 volume=0.264 peak=299 ppm1=8.415 ppm2=4.877
assign ( resid 60 and name HE1
)
( resid 38 and name HG2#
or resid 54 and name HE#
or resid 56 and name HD1#
or resid 84 and name HG1#
or resid 89 and name HG
or resid 106 and name HG2#
or resid 121 and name HG2#
or resid 137 and name HD1#
or resid 156 and name HG12
or resid 161 and name HG1#
or resid 163 and name HB2
or resid 185 and name HG2#
or resid 191 and name HG2#
or resid 232 and name HG2#
) 4.8 1.0 1.0 volume=0.192 peak=300 ppm1=10.283 ppm2=1.302
assign ( resid 59 and name H
)
( resid 2 and name HG1#
or resid 2 and name HG2#
or resid 7 and name HB3
or resid 17 and name HG1#
or resid 38 and name HG1#
or resid 41 and name HG1#
or resid 53 and name HG2#
or resid 61 and name HG1#
or resid 70 and name HG2#
or resid 77 and name HG12
or resid 83 and name HD1#
or resid 90 and name HD1#
or resid 100 and name HG13
or resid 100 and name HD1#
or resid 107 and name HG2#
or resid 118 and name HG1#
or resid 118 and name HG2#
or resid 132 and name HG1#
or resid 149 and name HB#
or resid 156 and name HG2#
or resid 161 and name HG2#
or resid 169 and name HG1#
or resid 170 and name HD2#
or resid 187 and name HD2#
or resid 187 and name HD1#
or resid 192 and name HG1#
or resid 192 and name HG2#
or resid 197 and name HD1#
or resid 198 and name HG2#
or resid 213 and name HD1#
or resid 213 and name HD2#
or resid 230 and name HG1#
or resid 237 and name HG1#
or resid 237 and name HG2#
) 4.3 0.9 0.9 volume=0.407 peak=301 ppm1=8.928 ppm2=1.127
assign ( resid 59 and name H
)
( resid 1 and name HE#
or resid 2 and name HB
or resid 38 and name HB
or resid 53 and name HB
or resid 62 and name HB2
or resid 78 and name HB3
or resid 82 and name HG
or resid 84 and name HB
or resid 118 and name HB
or resid 121 and name HB
or resid 132 and name HB
or resid 135 and name HB
or resid 147 and name HG2
or resid 147 and name HG3
or resid 161 and name HB
or resid 173 and name HB
or resid 173 and name HG13
or resid 197 and name HB
or resid 198 and name HB
or resid 202 and name HB3
or resid 203 and name HB
or resid 222 and name HG3
or resid 230 and name HB
or resid 241 and name HG2
or resid 241 and name HG3
) 4.4 0.9 0.9 volume=0.158 peak=302 ppm1=8.935 ppm2=2.325
assign ( resid 60 and name H
)
( resid 2 and name HA
or resid 5 and name HA
or resid 24 and name HA
or resid 29 and name HA
or resid 54 and name HA
or resid 56 and name HA
or resid 76 and name HA
or resid 79 and name HA
or resid 80 and name HA
or resid 83 and name HA
or resid 87 and name HA
or resid 95 and name HA
or resid 98 and name HA
or resid 123 and name HA
or resid 134 and name HA
or resid 165 and name HA
or resid 176 and name HA
or resid 222 and name HA
or resid 230 and name HA
or resid 240 and name HA
or resid 241 and name HA
) 3.9 0.8 0.8 volume=0.297 peak=303 ppm1=8.502 ppm2=4.374
assign ( resid 60 and name H
)
( resid 28 and name H
or resid 60 and name HE3
or resid 90 and name H
or resid 100 and name H
or resid 150 and name H
or resid 167 and name H
or resid 170 and name H
or resid 173 and name H
or resid 177 and name H
or resid 206 and name H
or resid 212 and name H
or resid 221 and name H
) 3.5 0.7 0.7 volume=0.636 peak=304 ppm1=8.511 ppm2=7.874
assign ( resid 60 and name H
)
( resid 69 and name HE#
or resid 73 and name H
) 4.6 0.9 0.9 volume=0.148 peak=305 ppm1=8.510 ppm2=6.353
assign ( resid 60 and name H
)
( resid 15 and name HE#
or resid 56 and name HG
or resid 61 and name HB
or resid 65 and name HG2
or resid 65 and name HG3
or resid 68 and name HB
or resid 102 and name HB
or resid 122 and name HB3
or resid 122 and name HB2
or resid 126 and name HG
or resid 126 and name HB3
or resid 147 and name HB3
or resid 147 and name HB2
or resid 156 and name HB
or resid 169 and name HB
or resid 170 and name HG
or resid 177 and name HB
or resid 180 and name HG
or resid 192 and name HB
or resid 202 and name HB2
or resid 213 and name HG
or resid 222 and name HB3
or resid 222 and name HB2
or resid 225 and name HB3
or resid 237 and name HB
) 4.5 0.9 0.9 volume=0.138 peak=306 ppm1=8.510 ppm2=2.206
assign ( resid 67 and name H
)
( resid 8 and name HE#
or resid 36 and name HD#
or resid 69 and name HZ
or resid 69 and name HD#
or resid 86 and name HZ
or resid 139 and name HE#
or resid 199 and name HE#
) 4.8 1.0 1.0 volume=0.144 peak=307 ppm1=8.132 ppm2=6.712
assign ( resid 70 and name H
)
( resid 69 and name HE#
or resid 73 and name H
) 4.6 0.9 0.9 volume=0.157 peak=308 ppm1=8.743 ppm2=6.326
assign ( resid 113 and name H
)
( resid 8 and name HD#
or resid 22 and name HE#
or resid 22 and name HD#
or resid 24 and name HZ3
or resid 51 and name HE#
or resid 60 and name HD1
or resid 74 and name H
or resid 113 and name HE#
or resid 126 and name H
or resid 127 and name HE#
or resid 140 and name HD#
or resid 165 and name HD22
or resid 184 and name H
) 4.3 0.9 0.9 volume=0.224 peak=309 ppm1=8.157 ppm2=7.180
assign ( resid 80 and name H
)
( resid 9 and name HH2
or resid 73 and name HD#
or resid 76 and name HD1
or resid 146 and name H
or resid 160 and name HD#
or resid 174 and name HD#
or resid 210 and name HZ
) 3.9 0.8 0.8 volume=0.389 peak=310 ppm1=8.338 ppm2=7.082
assign ( resid 85 and name H
)
( resid 58 and name HA
or resid 70 and name HA
or resid 73 and name HA
or resid 75 and name HA
or resid 86 and name HA
or resid 92 and name HA2
or resid 92 and name HA3
or resid 102 and name HA
or resid 104 and name HA
or resid 111 and name HA
or resid 115 and name HA2
or resid 115 and name HA3
or resid 136 and name HA2
or resid 149 and name HA
or resid 174 and name HA
or resid 195 and name HA
) 3.8 0.8 0.8 volume=0.348 peak=311 ppm1=9.149 ppm2=3.960
assign ( resid 85 and name H
)
( resid 4 and name HG
or resid 12 and name HB#
or resid 27 and name HB2
or resid 39 and name HG2#
or resid 72 and name HG3
or resid 72 and name HG2
or resid 74 and name HB
or resid 93 and name HG
or resid 102 and name HG12
or resid 179 and name HB2
or resid 179 and name HG
or resid 180 and name HB2
or resid 187 and name HG
or resid 187 and name HB3
or resid 187 and name HB2
or resid 197 and name HG13
or resid 204 and name HG2#
or resid 227 and name HB3
or resid 227 and name HB2
or resid 227 and name HG
or resid 240 and name HG
or resid 240 and name HB2
or resid 240 and name HB3
) 3.6 0.7 0.7 volume=0.515 peak=312 ppm1=9.145 ppm2=1.784
assign ( resid 85 and name H
)
( resid 7 and name H
or resid 40 and name H
or resid 51 and name HD#
or resid 60 and name HH2
or resid 60 and name HZ3
or resid 98 and name HE#
or resid 109 and name H
or resid 151 and name H
or resid 152 and name H
or resid 156 and name H
or resid 166 and name H
or resid 169 and name H
or resid 171 and name HD1
or resid 174 and name H
or resid 176 and name H
or resid 199 and name H
or resid 208 and name H
or resid 210 and name HD#
) 3.8 0.8 0.8 volume=0.400 peak=313 ppm1=9.147 ppm2=7.543
assign ( resid 85 and name H
)
( resid 9 and name HD1
or resid 24 and name HH2
or resid 27 and name H
or resid 29 and name H
or resid 37 and name HD#
or resid 37 and name H
or resid 86 and name HD#
or resid 98 and name HD#
or resid 117 and name H
or resid 118 and name H
or resid 134 and name HD#
or resid 171 and name HZ2
) 4.1 0.8 0.8 volume=0.291 peak=314 ppm1=9.145 ppm2=7.339
assign ( resid 86 and name H
)
( resid 85 and name HE#
or resid 127 and name HD#
or resid 178 and name HZ3
) 4.6 0.9 0.9 volume=0.161 peak=315 ppm1=8.699 ppm2=6.474
assign ( resid 95 and name H
)
( resid 97 and name HG2
or resid 105 and name HB2
or resid 108 and name HB
or resid 165 and name HB2
) 4.6 0.9 0.9 volume=0.110 peak=316 ppm1=8.696 ppm2=2.708
assign ( resid 97 and name H
)
( resid 4 and name HB2
or resid 10 and name HG
or resid 16 and name HB2
or resid 43 and name HB
or resid 46 and name HB
or resid 47 and name HB#
or resid 77 and name HG13
or resid 77 and name HB
or resid 100 and name HG12
or resid 100 and name HB
or resid 110 and name HB2
or resid 110 and name HG
or resid 162 and name HB3
or resid 211 and name HG13
or resid 241 and name HB3
or resid 241 and name HB2
) 4.3 0.9 0.9 volume=0.180 peak=317 ppm1=8.355 ppm2=2.006
assign ( resid 99 and name H
)
( resid 2 and name H
or resid 4 and name H
or resid 11 and name H
or resid 67 and name H
or resid 69 and name H
or resid 76 and name H
or resid 103 and name H
or resid 113 and name H
or resid 130 and name H
or resid 132 and name H
or resid 148 and name H
or resid 179 and name H
or resid 194 and name H
or resid 222 and name H
or resid 232 and name H
or resid 234 and name H
or resid 240 and name H
) 5.2 1.0 1.0 volume=0.056 peak=318 ppm1=8.328 ppm2=8.124
assign ( resid 100 and name H
)
( resid 9 and name HD1
or resid 24 and name HH2
or resid 27 and name H
or resid 29 and name H
or resid 37 and name HD#
or resid 86 and name HD#
or resid 98 and name HD#
or resid 117 and name H
or resid 118 and name H
or resid 134 and name HD#
or resid 171 and name HZ2
) 5.0 1.0 1.0 volume=0.082 peak=319 ppm1=7.884 ppm2=7.332
assign ( resid 102 and name H
)
( resid 9 and name HD1
or resid 24 and name HH2
or resid 27 and name H
or resid 29 and name H
or resid 37 and name HD#
or resid 86 and name HD#
or resid 98 and name HD#
or resid 117 and name H
or resid 118 and name H
or resid 134 and name HD#
or resid 171 and name HZ2
or resid 176 and name HZ
) 4.3 0.9 0.9 volume=0.191 peak=320 ppm1=8.646 ppm2=7.322
assign ( resid 101 and name H
)
( resid 26 and name HA2
or resid 27 and name HD2
or resid 37 and name HB2
or resid 66 and name HD3
or resid 66 and name HD2
or resid 69 and name HB3
or resid 75 and name HB3
or resid 94 and name HB3
or resid 98 and name HB2
or resid 124 and name HB2
or resid 127 and name HB3
or resid 152 and name HD3
or resid 161 and name HA
or resid 164 and name HD2
or resid 165 and name HB3
or resid 201 and name HB3
) 4.9 1.0 1.0 volume=0.076 peak=321 ppm1=7.791 ppm2=3.197
assign ( resid 101 and name H
)
( resid 37 and name HE#
or resid 47 and name H
or resid 82 and name H
or resid 85 and name HD#
or resid 124 and name HE#
or resid 140 and name HE#
or resid 151 and name HE21
or resid 178 and name HE3
) 4.9 1.0 1.0 volume=0.109 peak=322 ppm1=7.799 ppm2=6.894
assign ( resid 112 and name H
)
( resid 4 and name HA
or resid 38 and name HA
or resid 45 and name HA3
or resid 50 and name HA
or resid 57 and name HA2
or resid 57 and name HA3
or resid 72 and name HA
or resid 84 and name HA
or resid 88 and name HA2
or resid 88 and name HA3
or resid 99 and name HA2
or resid 100 and name HA
or resid 101 and name HA
or resid 113 and name HA
or resid 167 and name HA
or resid 169 and name HA
or resid 191 and name HA
) 4.4 0.9 0.9 volume=0.142 peak=323 ppm1=8.267 ppm2=3.774
assign ( resid 112 and name H
)
( resid 4 and name HA
or resid 13 and name HA
or resid 38 and name HA
or resid 45 and name HA3
or resid 50 and name HA
or resid 57 and name HA2
or resid 57 and name HA3
or resid 72 and name HA
or resid 84 and name HA
or resid 88 and name HA2
or resid 88 and name HA3
or resid 99 and name HA2
or resid 100 and name HA
or resid 101 and name HA
or resid 113 and name HA
or resid 167 and name HA
or resid 169 and name HA
or resid 177 and name HA
or resid 191 and name HA
or resid 211 and name HA
) 4.4 0.9 0.9 volume=0.151 peak=324 ppm1=8.266 ppm2=3.803
assign ( resid 115 and name H
)
( resid 9 and name HH2
or resid 73 and name HD#
or resid 76 and name HD1
or resid 86 and name HE#
or resid 113 and name HD#
or resid 160 and name HD#
or resid 199 and name HD#
or resid 210 and name HZ
) 5.0 1.0 1.0 volume=0.097 peak=325 ppm1=8.695 ppm2=7.047
assign ( resid 127 and name H
)
( resid 17 and name H
or resid 22 and name H
or resid 25 and name H
or resid 31 and name H
or resid 66 and name H
or resid 70 and name H
or resid 86 and name H
or resid 95 and name H
or resid 111 and name H
or resid 115 and name H
or resid 121 and name H
or resid 131 and name H
or resid 138 and name H
or resid 165 and name H
or resid 198 and name H
) 4.4 0.9 0.9 volume=0.140 peak=326 ppm1=8.068 ppm2=8.716
assign ( resid 129 and name H
or resid 186 and name H
)
( resid 58 and name HA
or resid 70 and name HA
or resid 73 and name HA
or resid 75 and name HA
or resid 86 and name HA
or resid 102 and name HA
or resid 104 and name HA
or resid 111 and name HA
or resid 115 and name HA2
or resid 115 and name HA3
or resid 131 and name HA
or resid 136 and name HA2
or resid 149 and name HA
or resid 174 and name HA
or resid 195 and name HA
) 4.9 1.0 1.0 volume=0.074 peak=327 ppm1=8.036 ppm2=3.973
assign ( resid 131 and name H
)
( resid 10 and name HB3
or resid 13 and name HG13
or resid 13 and name HB
or resid 16 and name HB3
or resid 20 and name HG
or resid 20 and name HB3
or resid 33 and name HB2
or resid 40 and name HB3
or resid 40 and name HG
or resid 43 and name HB
or resid 46 and name HG13
or resid 56 and name HB2
or resid 58 and name HB
or resid 62 and name HB3
or resid 77 and name HG13
or resid 77 and name HB
or resid 78 and name HG
or resid 90 and name HG
or resid 101 and name HB
or resid 129 and name HE#
or resid 135 and name HG13
or resid 138 and name HB
or resid 141 and name HB2
or resid 141 and name HG
or resid 145 and name HE#
or resid 159 and name HB3
or resid 162 and name HB2
or resid 168 and name HB
or resid 180 and name HB3
or resid 188 and name HG
or resid 196 and name HG
or resid 196 and name HB2
or resid 211 and name HB
or resid 213 and name HB3
or resid 225 and name HB2
) 4.4 0.9 0.9 volume=0.157 peak=328 ppm1=8.731 ppm2=2.096
assign ( resid 139 and name H
)
( resid 8 and name HD#
or resid 22 and name HE#
or resid 22 and name HD#
or resid 24 and name HZ3
or resid 51 and name HE#
or resid 60 and name HD1
or resid 74 and name H
or resid 113 and name HE#
or resid 126 and name H
or resid 127 and name HE#
or resid 140 and name HD#
or resid 165 and name HD22
or resid 184 and name H
) 4.9 1.0 1.0 volume=0.108 peak=329 ppm1=8.587 ppm2=7.178
assign ( resid 142 and name H
)
( resid 26 and name HA3
or resid 36 and name HB3
or resid 51 and name HB3
or resid 94 and name HB2
or resid 105 and name HB3
or resid 140 and name HB3
or resid 160 and name HB3
or resid 208 and name HB3
) 4.0 0.8 0.8 volume=0.263 peak=330 ppm1=8.649 ppm2=2.982
assign ( resid 143 and name H
)
( resid 26 and name HA2
or resid 27 and name HD2
or resid 37 and name HB2
or resid 66 and name HD3
or resid 124 and name HB2
or resid 139 and name HB2
or resid 176 and name HB3
) 4.3 0.9 0.9 volume=0.161 peak=331 ppm1=8.302 ppm2=3.124
assign ( resid 153 and name H
)
( resid 6 and name HA
or resid 12 and name HA
or resid 21 and name HA
or resid 23 and name HA
or resid 35 and name HA
or resid 48 and name HA
or resid 79 and name HB
or resid 89 and name HA
or resid 96 and name HA
or resid 97 and name HA
or resid 105 and name HA
or resid 106 and name HA
or resid 120 and name HA2
or resid 121 and name HA
or resid 122 and name HA
or resid 137 and name HA
or resid 142 and name HA
or resid 147 and name HA
or resid 148 and name HA
or resid 150 and name HA
or resid 158 and name HA
or resid 159 and name HA
or resid 172 and name HA
or resid 179 and name HA
or resid 181 and name HA3
or resid 181 and name HA2
or resid 201 and name HA
or resid 206 and name HA
or resid 217 and name HA
or resid 218 and name HA
or resid 219 and name HA
or resid 220 and name HA
or resid 234 and name HB
or resid 237 and name HA
) 2.8 0.6 0.6 volume=2.308 peak=332 ppm1=8.001 ppm2=4.240
assign ( resid 153 and name H
)
( resid 10 and name HD1#
or resid 13 and name HG2#
or resid 13 and name HD1#
or resid 16 and name HD1#
or resid 16 and name HD2#
or resid 17 and name HG2#
or resid 20 and name HD2#
or resid 20 and name HD1#
or resid 40 and name HB2
or resid 43 and name HG2#
or resid 46 and name HG2#
or resid 49 and name HG2#
or resid 53 and name HG1#
or resid 58 and name HG2#
or resid 68 and name HG1#
or resid 77 and name HG2#
or resid 82 and name HD1#
or resid 87 and name HD1#
or resid 90 and name HD2#
or resid 104 and name HD1#
or resid 107 and name HG1#
or resid 110 and name HD1#
or resid 110 and name HD2#
or resid 126 and name HD1#
or resid 126 and name HD2#
or resid 132 and name HG2#
or resid 135 and name HD1#
or resid 138 and name HG2#
or resid 141 and name HD1#
or resid 156 and name HD1#
or resid 159 and name HD1#
or resid 168 and name HG2#
or resid 173 and name HD1#
or resid 173 and name HG2#
or resid 180 and name HD2#
or resid 188 and name HD1#
or resid 188 and name HD2#
or resid 196 and name HD2#
or resid 202 and name HD2#
or resid 203 and name HG1#
or resid 206 and name HG1#
or resid 227 and name HD2#
or resid 240 and name HD1#
) 3.6 0.7 0.7 volume=1.453 peak=333 ppm1=8.002 ppm2=0.977
assign ( resid 157 and name H
)
( resid 26 and name HA3
or resid 27 and name HD3
or resid 60 and name HB3
or resid 139 and name HB2
or resid 160 and name HB3
or resid 176 and name HB3
or resid 199 and name HB2
) 4.3 0.9 0.9 volume=0.175 peak=334 ppm1=8.629 ppm2=3.073
assign ( resid 24 and name HE1
)
( resid 9 and name H
or resid 22 and name H
or resid 24 and name H
or resid 25 and name H
or resid 31 and name H
or resid 38 and name H
or resid 70 and name H
or resid 131 and name H
or resid 138 and name H
or resid 145 and name H
or resid 168 and name H
or resid 198 and name H
) 3.3 0.7 0.7 volume=0.826 peak=335 ppm1=10.364 ppm2=8.777
assign ( resid 171 and name HE1
)
( resid 1 and name HE#
or resid 2 and name HB
or resid 15 and name HE#
or resid 61 and name HB
or resid 65 and name HG2
or resid 65 and name HG3
or resid 118 and name HB
or resid 161 and name HB
or resid 169 and name HB
or resid 170 and name HG
or resid 173 and name HB
or resid 173 and name HG13
or resid 177 and name HB
or resid 192 and name HB
or resid 203 and name HB
or resid 225 and name HB3
or resid 230 and name HB
or resid 237 and name HB
) 4.3 0.9 0.9 volume=0.179 peak=336 ppm1=10.184 ppm2=2.242
assign ( resid 171 and name HE1
)
( resid 6 and name HG2#
or resid 19 and name HG2#
or resid 21 and name HB#
or resid 27 and name HG2
or resid 29 and name HB#
or resid 41 and name HG2#
or resid 50 and name HB#
or resid 74 and name HG13
or resid 78 and name HB2
or resid 108 and name HG2#
or resid 109 and name HE#
or resid 114 and name HB#
or resid 135 and name HG12
or resid 186 and name HB#
or resid 200 and name HB2
or resid 212 and name HB#
) 4.7 0.9 0.9 volume=0.185 peak=337 ppm1=10.198 ppm2=1.470
assign ( resid 176 and name H
)
( resid 22 and name HD#
or resid 24 and name HD1
or resid 74 and name H
or resid 98 and name HZ
or resid 126 and name H
or resid 127 and name HE#
or resid 165 and name HD22
or resid 178 and name HZ2
or resid 184 and name H
or resid 192 and name H
or resid 210 and name HE#
) 4.6 0.9 0.9 volume=0.132 peak=338 ppm1=7.543 ppm2=7.225
assign ( resid 184 and name H
)
( resid 31 and name HA
or resid 44 and name HA
or resid 47 and name HA
or resid 85 and name HA
or resid 117 and name HA
or resid 152 and name HA
or resid 180 and name HA
or resid 189 and name HA
or resid 204 and name HB
) 4.3 0.9 0.9 volume=0.166 peak=339 ppm1=7.182 ppm2=4.663
assign ( resid 184 and name H
)
( resid 18 and name HA2
or resid 18 and name HA3
or resid 22 and name HB3
or resid 24 and name HB2
or resid 51 and name HB2
or resid 67 and name HB
or resid 73 and name HB2
or resid 74 and name HA
or resid 86 and name HB2
or resid 107 and name HA
or resid 127 and name HA
or resid 128 and name HA3
or resid 134 and name HB3
or resid 134 and name HB2
or resid 176 and name HB2
or resid 178 and name HB3
or resid 178 and name HB2
or resid 207 and name HA2
or resid 210 and name HB3
or resid 223 and name HB3
) 3.6 0.7 0.7 volume=0.521 peak=340 ppm1=7.172 ppm2=3.517
assign ( resid 184 and name H
)
( resid 4 and name HG
or resid 7 and name HG
or resid 12 and name HB#
or resid 27 and name HB2
or resid 56 and name HB3
or resid 72 and name HG3
or resid 72 and name HG2
or resid 74 and name HB
or resid 93 and name HG
or resid 102 and name HG12
or resid 121 and name HG12
or resid 179 and name HB2
or resid 179 and name HG
or resid 180 and name HB2
or resid 187 and name HG
or resid 187 and name HB3
or resid 187 and name HB2
or resid 197 and name HG13
or resid 200 and name HG
or resid 204 and name HG2#
or resid 213 and name HB2
or resid 219 and name HG
or resid 227 and name HB3
or resid 227 and name HG
or resid 240 and name HG
or resid 240 and name HB3
) 4.1 0.8 0.8 volume=0.222 peak=341 ppm1=7.181 ppm2=1.807
assign ( resid 184 and name H
)
( resid 20 and name HB2
or resid 21 and name HB#
or resid 27 and name HG2
or resid 29 and name HB#
or resid 41 and name HG2#
or resid 50 and name HB#
or resid 74 and name HG13
or resid 78 and name HB2
or resid 108 and name HG2#
or resid 109 and name HE#
or resid 135 and name HG12
or resid 186 and name HB#
or resid 200 and name HB2
or resid 212 and name HB#
or resid 238 and name HB#
) 4.0 0.8 0.8 volume=0.418 peak=342 ppm1=7.175 ppm2=1.481
assign ( resid 184 and name H
)
( resid 53 and name HG2#
or resid 56 and name HD2#
or resid 61 and name HG1#
or resid 77 and name HG12
or resid 82 and name HD2#
or resid 83 and name HD1#
or resid 84 and name HG2#
or resid 87 and name HD2#
or resid 90 and name HD1#
or resid 100 and name HD1#
or resid 101 and name HG1#
or resid 101 and name HG2#
or resid 104 and name HD2#
or resid 118 and name HG1#
or resid 118 and name HG2#
or resid 142 and name HG2#
or resid 149 and name HB#
or resid 156 and name HG2#
or resid 161 and name HG2#
or resid 166 and name HD2#
or resid 168 and name HG1#
or resid 169 and name HG1#
or resid 170 and name HD1#
or resid 187 and name HD2#
or resid 187 and name HD1#
or resid 197 and name HD1#
or resid 198 and name HG2#
or resid 203 and name HG2#
or resid 213 and name HD1#
or resid 213 and name HD2#
or resid 230 and name HG1#
or resid 230 and name HG2#
or resid 237 and name HG1#
or resid 237 and name HG2#
or resid 240 and name HD2#
) 4.3 0.9 0.9 volume=0.502 peak=343 ppm1=7.172 ppm2=1.093
assign ( resid 184 and name H
)
( resid 43 and name HD1#
or resid 63 and name HG1#
or resid 74 and name HG2#
or resid 77 and name HD1#
or resid 83 and name HG2#
or resid 93 and name HB3
or resid 179 and name HD1#
or resid 194 and name HG2#
or resid 196 and name HD1#
or resid 200 and name HD2#
or resid 211 and name HG2#
or resid 219 and name HD1#
or resid 219 and name HD2#
) 5.2 1.0 1.0 volume=0.143 peak=344 ppm1=7.179 ppm2=0.825
assign ( resid 201 and name H
)
( resid 31 and name HA
or resid 85 and name HA
or resid 117 and name HA
or resid 189 and name HA
or resid 204 and name HB
or resid 234 and name HA
) 4.4 0.9 0.9 volume=0.152 peak=345 ppm1=9.715 ppm2=4.687
assign ( resid 201 and name H
)
( resid 8 and name HD#
or resid 22 and name HE#
or resid 22 and name HD#
or resid 24 and name HZ3
or resid 51 and name HE#
or resid 60 and name HD1
or resid 74 and name H
or resid 113 and name HE#
or resid 127 and name HE#
or resid 140 and name HD#
or resid 146 and name H
or resid 165 and name HD22
or resid 174 and name HD#
or resid 184 and name H
) 4.8 1.0 1.0 volume=0.123 peak=346 ppm1=9.715 ppm2=7.161
assign ( resid 203 and name H
)
( resid 7 and name H
or resid 40 and name H
or resid 60 and name HH2
or resid 60 and name HZ3
or resid 98 and name HE#
or resid 109 and name H
or resid 151 and name H
or resid 152 and name H
or resid 166 and name H
or resid 169 and name H
or resid 171 and name HH2
or resid 171 and name HD1
or resid 174 and name H
or resid 176 and name H
or resid 199 and name H
or resid 208 and name H
or resid 210 and name HD#
) 4.1 0.8 0.8 volume=0.231 peak=347 ppm1=8.387 ppm2=7.538
assign ( resid 204 and name H
)
( resid 7 and name H
or resid 9 and name HZ2
or resid 40 and name H
or resid 60 and name HH2
or resid 60 and name HZ3
or resid 98 and name HE#
or resid 134 and name HE#
or resid 166 and name H
or resid 169 and name H
or resid 171 and name HE3
or resid 171 and name HH2
or resid 171 and name HD1
or resid 174 and name H
or resid 176 and name H
or resid 199 and name H
or resid 208 and name H
or resid 210 and name HD#
) 4.5 0.9 0.9 volume=0.148 peak=348 ppm1=9.387 ppm2=7.508
assign ( resid 204 and name H
)
( resid 7 and name H
or resid 40 and name H
or resid 51 and name HD#
or resid 60 and name HH2
or resid 60 and name HZ3
or resid 98 and name HE#
or resid 109 and name H
or resid 151 and name H
or resid 152 and name H
or resid 156 and name H
or resid 166 and name H
or resid 169 and name H
or resid 171 and name HD1
or resid 174 and name H
or resid 176 and name H
or resid 199 and name H
or resid 208 and name H
or resid 210 and name HD#
) 4.4 0.9 0.9 volume=0.159 peak=349 ppm1=9.387 ppm2=7.543
assign ( resid 208 and name H
)
( resid 23 and name HB#
or resid 27 and name HB2
or resid 39 and name HG2#
or resid 46 and name HG12
or resid 48 and name HB#
or resid 79 and name HG2#
or resid 90 and name HB2
or resid 96 and name HB3
or resid 121 and name HG13
or resid 125 and name HB#
or resid 156 and name HG13
or resid 159 and name HB2
or resid 163 and name HB3
or resid 163 and name HG
or resid 215 and name HB#
or resid 216 and name HB#
or resid 217 and name HB#
or resid 227 and name HB2
or resid 240 and name HB2
) 4.6 0.9 0.9 volume=0.151 peak=350 ppm1=7.474 ppm2=1.719
assign ( resid 207 and name H
)
( resid 4 and name HD2#
or resid 7 and name HD1#
or resid 7 and name HD2#
or resid 43 and name HD1#
or resid 46 and name HD1#
or resid 58 and name HG1#
or resid 63 and name HG1#
or resid 74 and name HG2#
or resid 77 and name HD1#
or resid 78 and name HD1#
or resid 78 and name HD2#
or resid 83 and name HG2#
or resid 179 and name HD2#
or resid 196 and name HD1#
or resid 198 and name HG1#
or resid 202 and name HD1#
or resid 211 and name HG2#
or resid 219 and name HD1#
or resid 219 and name HD2#
) 5.2 1.0 1.0 volume=0.161 peak=351 ppm1=9.122 ppm2=0.867
assign ( resid 209 and name H
)
( resid 19 and name HB
or resid 44 and name HA
or resid 47 and name HA
or resid 85 and name HA
or resid 117 and name HA
or resid 152 and name HA
or resid 180 and name HA
or resid 204 and name HB
or resid 210 and name HA
) 4.3 0.9 0.9 volume=0.165 peak=352 ppm1=8.081 ppm2=4.638
assign ( resid 213 and name H
)
( resid 7 and name H
or resid 40 and name H
or resid 51 and name HD#
or resid 60 and name HH2
or resid 98 and name HE#
or resid 109 and name H
or resid 151 and name H
or resid 152 and name H
or resid 156 and name H
or resid 166 and name H
or resid 171 and name HD1
or resid 174 and name H
or resid 176 and name H
or resid 199 and name H
or resid 210 and name HD#
) 4.7 0.9 0.9 volume=0.106 peak=353 ppm1=8.620 ppm2=7.555
assign ( resid 214 and name H
)
( resid 6 and name HB
or resid 15 and name HA
or resid 54 and name HA
or resid 56 and name HA
or resid 76 and name HA
or resid 81 and name HA
or resid 82 and name HA
or resid 87 and name HA
or resid 95 and name HA
or resid 98 and name HA
or resid 146 and name HB
or resid 165 and name HA
or resid 176 and name HA
or resid 187 and name HA
or resid 215 and name HA
or resid 218 and name HB
or resid 221 and name HA
or resid 232 and name HB
or resid 236 and name HA
or resid 238 and name HA
) 4.2 0.8 0.8 volume=0.184 peak=354 ppm1=8.409 ppm2=4.434
assign ( resid 217 and name H
)
( resid 26 and name H
or resid 60 and name HE3
or resid 90 and name H
or resid 101 and name H
or resid 167 and name H
or resid 173 and name H
or resid 189 and name H
or resid 191 and name H
or resid 206 and name H
or resid 212 and name H
or resid 221 and name H
) 5.3 1.1 1.1 volume=0.046 peak=355 ppm1=8.251 ppm2=7.833
assign ( resid 124 and name H
)
( resid 85 and name HE#
or resid 127 and name HD#
or resid 178 and name HZ3
) 4.1 0.8 0.8 volume=0.350 peak=356 ppm1=8.207 ppm2=6.488
assign ( resid 179 and name H
)
( resid 6 and name H
or resid 24 and name HE3
or resid 24 and name HZ2
or resid 51 and name HD#
or resid 54 and name H
or resid 105 and name HD21
or resid 156 and name H
or resid 165 and name HD21
or resid 176 and name HD#
or resid 178 and name HD1
) 4.4 0.9 0.9 volume=0.169 peak=357 ppm1=8.143 ppm2=7.637
assign ( resid 9 and name H
)
( resid 8 and name HE#
or resid 36 and name HD#
or resid 69 and name HZ
or resid 69 and name HD#
or resid 86 and name HZ
or resid 139 and name HE#
or resid 199 and name HE#
) 4.4 0.9 0.9 volume=0.243 peak=358 ppm1=8.778 ppm2=6.718
assign ( resid 7 and name H
)
( resid 8 and name HE#
or resid 36 and name HD#
or resid 69 and name HZ
or resid 69 and name HD#
or resid 139 and name HE#
or resid 199 and name HE#
) 4.1 0.8 0.8 volume=0.372 peak=359 ppm1=7.550 ppm2=6.726
assign ( resid 214 and name H
)
( resid 7 and name H
or resid 40 and name H
or resid 51 and name HD#
or resid 60 and name HH2
or resid 98 and name HE#
or resid 105 and name HD21
or resid 109 and name H
or resid 151 and name H
or resid 152 and name H
or resid 156 and name H
or resid 166 and name H
or resid 171 and name HD1
or resid 174 and name H
or resid 176 and name H
or resid 199 and name H
or resid 210 and name HD#
) 5.2 1.0 1.0 volume=0.061 peak=360 ppm1=8.411 ppm2=7.557
assign ( resid 151 and name HE22
)
( resid 6 and name HA
or resid 12 and name HA
or resid 21 and name HA
or resid 23 and name HA
or resid 35 and name HA
or resid 37 and name HA
or resid 48 and name HA
or resid 89 and name HA
or resid 96 and name HA
or resid 97 and name HA
or resid 105 and name HA
or resid 106 and name HA
or resid 110 and name HA
or resid 120 and name HA2
or resid 121 and name HA
or resid 122 and name HA
or resid 137 and name HA
or resid 142 and name HA
or resid 147 and name HA
or resid 148 and name HA
or resid 150 and name HA
or resid 158 and name HA
or resid 159 and name HA
or resid 181 and name HA3
or resid 181 and name HA2
or resid 184 and name HA2
or resid 185 and name HA
or resid 206 and name HA
or resid 217 and name HA
or resid 218 and name HA
or resid 219 and name HA
or resid 220 and name HA
or resid 234 and name HB
or resid 237 and name HA
) 2.9 0.6 0.6 volume=1.850 peak=361 ppm1=7.422 ppm2=4.261
assign ( resid 151 and name HE21
)
( resid 6 and name HA
or resid 12 and name HA
or resid 21 and name HA
or resid 23 and name HA
or resid 35 and name HA
or resid 37 and name HA
or resid 48 and name HA
or resid 89 and name HA
or resid 96 and name HA
or resid 97 and name HA
or resid 105 and name HA
or resid 106 and name HA
or resid 110 and name HA
or resid 120 and name HA2
or resid 121 and name HA
or resid 122 and name HA
or resid 137 and name HA
or resid 142 and name HA
or resid 147 and name HA
or resid 148 and name HA
or resid 150 and name HA
or resid 158 and name HA
or resid 159 and name HA
or resid 181 and name HA3
or resid 181 and name HA2
or resid 184 and name HA2
or resid 185 and name HA
or resid 206 and name HA
or resid 217 and name HA
or resid 218 and name HA
or resid 219 and name HA
or resid 220 and name HA
or resid 234 and name HB
or resid 237 and name HA
) 2.9 0.6 0.6 volume=1.891 peak=362 ppm1=6.864 ppm2=4.261
assign ( resid 151 and name HE22
)
( resid 38 and name HB
or resid 53 and name HB
or resid 62 and name HB2
or resid 78 and name HB3
or resid 82 and name HG
or resid 84 and name HB
or resid 121 and name HB
or resid 132 and name HB
or resid 135 and name HB
or resid 142 and name HB
or resid 147 and name HG2
or resid 147 and name HG3
or resid 197 and name HB
or resid 198 and name HB
or resid 202 and name HB3
or resid 203 and name HB
or resid 222 and name HG3
or resid 241 and name HG2
or resid 241 and name HG3
) 3.4 0.7 0.7 volume=0.734 peak=363 ppm1=7.422 ppm2=2.341
assign ( resid 151 and name HE22
)
( resid 15 and name HE#
or resid 56 and name HG
or resid 61 and name HB
or resid 65 and name HG2
or resid 65 and name HG3
or resid 68 and name HB
or resid 102 and name HB
or resid 122 and name HB3
or resid 122 and name HB2
or resid 126 and name HG
or resid 126 and name HB3
or resid 147 and name HB3
or resid 147 and name HB2
or resid 156 and name HB
or resid 169 and name HB
or resid 170 and name HG
or resid 177 and name HB
or resid 180 and name HG
or resid 202 and name HB2
or resid 202 and name HG
or resid 213 and name HG
or resid 222 and name HB3
or resid 222 and name HB2
or resid 237 and name HB
) 3.2 0.6 0.6 volume=1.031 peak=364 ppm1=7.422 ppm2=2.194
assign ( resid 151 and name HE21
)
( resid 38 and name HB
or resid 53 and name HB
or resid 62 and name HB2
or resid 78 and name HB3
or resid 82 and name HG
or resid 84 and name HB
or resid 121 and name HB
or resid 132 and name HB
or resid 135 and name HB
or resid 142 and name HB
or resid 147 and name HG2
or resid 147 and name HG3
or resid 197 and name HB
or resid 198 and name HB
or resid 202 and name HB3
or resid 222 and name HG3
or resid 241 and name HG2
or resid 241 and name HG3
) 3.4 0.7 0.7 volume=0.760 peak=365 ppm1=6.864 ppm2=2.342
assign ( resid 151 and name HE21
)
( resid 15 and name HE#
or resid 56 and name HG
or resid 61 and name HB
or resid 65 and name HG2
or resid 65 and name HG3
or resid 68 and name HB
or resid 102 and name HB
or resid 122 and name HB3
or resid 122 and name HB2
or resid 126 and name HG
or resid 126 and name HB3
or resid 147 and name HB3
or resid 147 and name HB2
or resid 156 and name HB
or resid 169 and name HB
or resid 170 and name HG
or resid 177 and name HB
or resid 180 and name HG
or resid 202 and name HB2
or resid 202 and name HG
or resid 213 and name HG
or resid 222 and name HB3
or resid 222 and name HB2
or resid 237 and name HB
) 3.2 0.6 0.6 volume=1.081 peak=366 ppm1=6.865 ppm2=2.194
assign ( resid 151 and name HE21
)
( resid 18 and name H
or resid 28 and name H
or resid 83 and name H
or resid 116 and name H
or resid 120 and name H
or resid 125 and name H
or resid 133 and name H
or resid 136 and name H
or resid 149 and name H
or resid 150 and name H
or resid 170 and name H
or resid 215 and name H
or resid 218 and name H
or resid 230 and name H
) 3.8 0.8 0.8 volume=0.369 peak=367 ppm1=6.865 ppm2=7.946
assign ( resid 165 and name HD21
)
( resid 9 and name HH2
or resid 73 and name HD#
or resid 76 and name HD1
or resid 113 and name HD#
or resid 160 and name HD#
or resid 210 and name HZ
) 4.5 0.9 0.9 volume=0.172 peak=368 ppm1=7.623 ppm2=7.057
assign ( resid 165 and name HD22
)
( resid 9 and name HH2
or resid 73 and name HD#
or resid 76 and name HD1
or resid 113 and name HD#
or resid 160 and name HD#
or resid 210 and name HZ
) 4.2 0.8 0.8 volume=0.262 peak=369 ppm1=7.205 ppm2=7.061
assign ( resid 105 and name HD21
)
( resid 10 and name H
or resid 34 and name H
or resid 41 and name H
or resid 43 and name H
or resid 52 and name H
or resid 80 and name H
or resid 84 and name H
or resid 97 and name H
or resid 99 and name H
or resid 107 and name H
or resid 140 and name H
or resid 143 and name H
or resid 158 and name H
or resid 195 and name H
or resid 223 and name H
or resid 224 and name H
or resid 227 and name H
or resid 229 and name H
or resid 236 and name H
or resid 238 and name H
or resid 241 and name H
) 4.4 0.9 0.9 volume=0.151 peak=370 ppm1=7.607 ppm2=8.323
assign ( resid 105 and name HD21
)
( resid 37 and name HE#
or resid 47 and name H
or resid 73 and name HE#
or resid 82 and name H
or resid 85 and name HD#
or resid 124 and name HE#
or resid 140 and name HE#
or resid 151 and name HE21
or resid 178 and name HE3
) 4.7 0.9 0.9 volume=0.142 peak=371 ppm1=7.608 ppm2=6.874
assign ( resid 105 and name HD21
)
( resid 8 and name HD#
or resid 22 and name HE#
or resid 22 and name HD#
or resid 24 and name HZ3
or resid 51 and name HE#
or resid 60 and name HD1
or resid 74 and name H
or resid 113 and name HE#
or resid 126 and name H
or resid 127 and name HE#
or resid 140 and name HD#
or resid 165 and name HD22
or resid 184 and name H
) 4.7 0.9 0.9 volume=0.138 peak=372 ppm1=7.607 ppm2=7.181
assign ( resid 105 and name HD21
)
( resid 4 and name HA
or resid 14 and name HA2
or resid 14 and name HA3
or resid 38 and name HA
or resid 45 and name HA3
or resid 50 and name HA
or resid 57 and name HA2
or resid 57 and name HA3
or resid 72 and name HA
or resid 84 and name HA
or resid 88 and name HA2
or resid 88 and name HA3
or resid 99 and name HA2
or resid 100 and name HA
or resid 101 and name HA
or resid 113 and name HA
or resid 128 and name HA2
or resid 132 and name HA
or resid 167 and name HA
or resid 169 and name HA
or resid 191 and name HA
) 4.3 0.9 0.9 volume=0.173 peak=373 ppm1=7.601 ppm2=3.757
assign ( resid 231 and name H
)
( resid 4 and name H
or resid 11 and name H
or resid 21 and name H
or resid 57 and name H
or resid 67 and name H
or resid 69 and name H
or resid 76 and name H
or resid 103 and name H
or resid 113 and name H
or resid 163 and name H
or resid 179 and name H
or resid 194 and name H
or resid 222 and name H
or resid 232 and name H
or resid 234 and name H
or resid 240 and name H
) 4.1 0.8 0.8 volume=0.222 peak=374 ppm1=8.502 ppm2=8.143
assign ( resid 231 and name H
)
( resid 2 and name H
or resid 67 and name H
or resid 69 and name H
or resid 76 and name H
or resid 103 and name H
or resid 127 and name H
or resid 129 and name H
or resid 130 and name H
or resid 132 and name H
or resid 148 and name H
or resid 181 and name H
or resid 197 and name H
or resid 209 and name H
or resid 219 and name H
or resid 222 and name H
or resid 232 and name H
or resid 234 and name H
) 3.9 0.8 0.8 volume=0.328 peak=375 ppm1=8.502 ppm2=8.090
assign ( resid 88 and name H
)
( resid 98 and name HE#
) 4.3 0.9 0.9 volume=0.347 peak=376 ppm1=9.491 ppm2=7.547
assign ( resid 88 and name H
)
( resid 98 and name HD#
) 4.7 0.9 0.9 volume=0.200 peak=377 ppm1=9.491 ppm2=7.333
assign ( resid 97 and name H
)
( resid 95 and name H
or resid 98 and name H
) 3.5 0.7 0.7 volume=0.555 peak=378 ppm1=8.355 ppm2=8.655
assign ( resid 10 and name H
)
( resid 9 and name HD1
) 4.6 0.9 0.9 volume=0.110 peak=379 ppm1=8.368 ppm2=7.328
assign ( resid 43 and name H
)
( resid 43 and name HD1#
) 3.9 0.8 0.8 volume=0.867 peak=380 ppm1=8.296 ppm2=0.874
assign ( resid 43 and name H
)
( resid 82 and name HD2#
) 3.4 0.7 0.7 volume=2.155 peak=381 ppm1=8.308 ppm2=1.070
assign ( resid 11 and name H
)
( resid 10 and name HD1#
or resid 13 and name HG2#
or resid 202 and name HD2#
) 3.9 0.8 0.8 volume=0.952 peak=382 ppm1=8.170 ppm2=0.983
assign ( resid 11 and name H
)
( resid 198 and name HG1#
or resid 202 and name HD1#
) 3.9 0.8 0.8 volume=0.975 peak=383 ppm1=8.146 ppm2=0.910
assign ( resid 11 and name H
)
( resid 198 and name HG2#
) 4.0 0.8 0.8 volume=0.795 peak=384 ppm1=8.157 ppm2=1.151
assign ( resid 11 and name H
)
( resid 12 and name H
) 3.5 0.7 0.7 volume=0.609 peak=385 ppm1=8.148 ppm2=8.558
assign ( resid 11 and name H
)
( resid 10 and name H
) 3.3 0.7 0.7 volume=0.768 peak=386 ppm1=8.167 ppm2=8.370
assign ( resid 11 and name H
)
( resid 51 and name HE#
) 4.4 0.9 0.9 volume=0.315 peak=387 ppm1=8.159 ppm2=7.146
assign ( resid 11 and name H
)
( resid 8 and name HA
or resid 9 and name HA
) 3.9 0.8 0.8 volume=0.292 peak=388 ppm1=8.150 ppm2=4.931
assign ( resid 11 and name H
)
( resid 10 and name HA
) 3.6 0.7 0.7 volume=0.511 peak=389 ppm1=8.167 ppm2=4.194
assign ( resid 11 and name H
)
( resid 7 and name HA
) 4.0 0.8 0.8 volume=0.274 peak=390 ppm1=8.167 ppm2=4.071
assign ( resid 11 and name H
)
( resid 11 and name HA2
or resid 11 and name HA3
) 3.2 0.6 0.6 volume=1.083 peak=391 ppm1=8.164 ppm2=3.359
assign ( resid 11 and name H
)
( resid 51 and name HB3
) 4.0 0.8 0.8 volume=0.279 peak=392 ppm1=8.167 ppm2=2.951
assign ( resid 11 and name H
)
( resid 10 and name HB3
) 3.5 0.7 0.7 volume=0.616 peak=393 ppm1=8.164 ppm2=2.074
assign ( resid 11 and name H
)
( resid 10 and name HB2
) 3.5 0.7 0.7 volume=0.612 peak=394 ppm1=8.162 ppm2=1.880
assign ( resid 11 and name H
)
( resid 51 and name HD#
) 4.4 0.9 0.9 volume=0.282 peak=395 ppm1=8.162 ppm2=7.580
assign ( resid 11 and name H
)
( resid 9 and name H
or resid 14 and name H
) 3.9 0.8 0.8 volume=0.325 peak=396 ppm1=8.157 ppm2=8.819
assign ( resid 11 and name H
)
( resid 13 and name H
) 4.2 0.8 0.8 volume=0.206 peak=397 ppm1=8.172 ppm2=9.009
assign ( resid 51 and name H
)
( resid 51 and name HD#
) 3.5 0.7 0.7 volume=1.259 peak=398 ppm1=8.956 ppm2=7.597
assign ( resid 12 and name H
)
( resid 13 and name H
) 3.3 0.7 0.7 volume=0.841 peak=399 ppm1=8.552 ppm2=9.012
assign ( resid 12 and name H
)
( resid 14 and name H
) 4.0 0.8 0.8 volume=0.273 peak=400 ppm1=8.552 ppm2=8.837
assign ( resid 12 and name H
)
( resid 11 and name H
) 3.4 0.7 0.7 volume=0.672 peak=401 ppm1=8.553 ppm2=8.159
assign ( resid 12 and name H
)
( resid 51 and name HD#
) 4.0 0.8 0.8 volume=0.525 peak=402 ppm1=8.551 ppm2=7.597
assign ( resid 12 and name H
)
( resid 8 and name HD#
or resid 51 and name HE#
) 4.2 0.8 0.8 volume=0.399 peak=403 ppm1=8.561 ppm2=7.140
assign ( resid 12 and name H
)
( resid 8 and name HA
or resid 9 and name HA
) 3.4 0.7 0.7 volume=0.667 peak=404 ppm1=8.549 ppm2=4.940
assign ( resid 12 and name H
)
( resid 12 and name HA
) 3.2 0.6 0.6 volume=1.083 peak=405 ppm1=8.553 ppm2=4.243
assign ( resid 12 and name H
)
( resid 51 and name HB2
) 3.6 0.7 0.7 volume=0.513 peak=406 ppm1=8.547 ppm2=3.490
assign ( resid 12 and name H
)
( resid 9 and name HB2
or resid 11 and name HA2
or resid 11 and name HA3
) 3.4 0.7 0.7 volume=0.760 peak=407 ppm1=8.548 ppm2=3.357
assign ( resid 12 and name H
)
( resid 51 and name HB3
) 3.7 0.7 0.7 volume=0.438 peak=408 ppm1=8.560 ppm2=2.959
assign ( resid 12 and name H
)
( resid 12 and name HB#
) 3.4 0.7 0.7 volume=2.006 peak=409 ppm1=8.551 ppm2=1.823
assign ( resid 12 and name H
)
( resid 13 and name HG2#
) 3.9 0.8 0.8 volume=0.954 peak=410 ppm1=8.553 ppm2=1.001
assign ( resid 13 and name H
)
( resid 14 and name H
) 3.3 0.7 0.7 volume=0.818 peak=411 ppm1=9.018 ppm2=8.861
assign ( resid 13 and name H
)
( resid 12 and name H
or resid 15 and name H
) 3.5 0.7 0.7 volume=0.630 peak=412 ppm1=9.015 ppm2=8.555
assign ( resid 13 and name H
)
( resid 10 and name H
) 3.8 0.8 0.8 volume=0.384 peak=413 ppm1=9.025 ppm2=8.399
assign ( resid 13 and name H
)
( resid 11 and name H
) 4.1 0.8 0.8 volume=0.234 peak=414 ppm1=9.019 ppm2=8.129
assign ( resid 13 and name H
)
( resid 9 and name HA
) 4.1 0.8 0.8 volume=0.228 peak=415 ppm1=9.026 ppm2=4.936
assign ( resid 13 and name H
)
( resid 10 and name HA
or resid 12 and name HA
) 3.4 0.7 0.7 volume=0.731 peak=416 ppm1=9.016 ppm2=4.201
assign ( resid 13 and name H
)
( resid 13 and name HA
) 3.2 0.6 0.6 volume=1.083 peak=417 ppm1=9.017 ppm2=3.858
assign ( resid 13 and name H
)
( resid 14 and name HA2
or resid 14 and name HA3
) 3.8 0.8 0.8 volume=0.355 peak=418 ppm1=9.020 ppm2=3.721
assign ( resid 13 and name H
)
( resid 11 and name HA2
or resid 11 and name HA3
) 4.1 0.8 0.8 volume=0.211 peak=419 ppm1=9.017 ppm2=3.359
assign ( resid 13 and name H
)
( resid 13 and name HB
) 2.9 0.6 0.6 volume=1.720 peak=420 ppm1=9.017 ppm2=2.147
assign ( resid 13 and name H
)
( resid 12 and name HB#
) 3.7 0.7 0.7 volume=1.190 peak=421 ppm1=9.018 ppm2=1.827
assign ( resid 13 and name H
)
( resid 13 and name HG12
) 3.1 0.6 0.6 volume=1.213 peak=422 ppm1=9.018 ppm2=1.385
assign ( resid 13 and name H
)
( resid 13 and name HG2#
or resid 13 and name HD1#
) 3.1 0.6 0.6 volume=3.416 peak=423 ppm1=9.017 ppm2=0.997
assign ( resid 14 and name H
)
( resid 13 and name H
or resid 16 and name H
) 3.6 0.7 0.7 volume=0.477 peak=424 ppm1=8.854 ppm2=9.020
assign ( resid 14 and name H
)
( resid 12 and name H
or resid 15 and name H
) 3.7 0.7 0.7 volume=0.398 peak=425 ppm1=8.855 ppm2=8.528
assign ( resid 14 and name H
)
( resid 10 and name HA
or resid 12 and name HA
) 4.0 0.8 0.8 volume=0.244 peak=426 ppm1=8.851 ppm2=4.209
assign ( resid 14 and name H
)
( resid 14 and name HA2
or resid 14 and name HA3
) 3.2 0.6 0.6 volume=1.083 peak=427 ppm1=8.857 ppm2=3.729
assign ( resid 14 and name H
)
( resid 13 and name HA
) 3.7 0.7 0.7 volume=0.389 peak=428 ppm1=8.855 ppm2=3.836
assign ( resid 14 and name H
)
( resid 11 and name HA2
or resid 11 and name HA3
) 4.6 0.9 0.9 volume=0.112 peak=429 ppm1=8.854 ppm2=3.368
assign ( resid 14 and name H
)
( resid 13 and name HB
) 3.5 0.7 0.7 volume=0.582 peak=430 ppm1=8.857 ppm2=2.154
assign ( resid 14 and name H
)
( resid 12 and name HB#
) 5.4 1.1 1.1 volume=0.135 peak=431 ppm1=8.862 ppm2=1.832
assign ( resid 14 and name H
)
( resid 13 and name HG12
) 4.1 0.8 0.8 volume=0.213 peak=432 ppm1=8.863 ppm2=1.393
assign ( resid 14 and name H
)
( resid 17 and name HG1#
) 5.1 1.0 1.0 volume=0.187 peak=433 ppm1=8.862 ppm2=1.169
assign ( resid 14 and name H
)
( resid 13 and name HG2#
or resid 17 and name HG2#
or resid 202 and name HD2#
) 3.6 0.7 0.7 volume=1.464 peak=434 ppm1=8.856 ppm2=1.012
assign ( resid 15 and name H
)
( resid 13 and name H
or resid 16 and name H
) 3.3 0.7 0.7 volume=0.858 peak=435 ppm1=8.517 ppm2=9.009
assign ( resid 15 and name H
)
( resid 14 and name H
) 3.5 0.7 0.7 volume=0.607 peak=436 ppm1=8.515 ppm2=8.859
assign ( resid 15 and name H
)
( resid 17 and name H
) 3.7 0.7 0.7 volume=0.423 peak=437 ppm1=8.504 ppm2=8.655
assign ( resid 15 and name H
)
( resid 15 and name HA
) 3.2 0.6 0.6 volume=1.083 peak=438 ppm1=8.510 ppm2=4.466
assign ( resid 15 and name H
)
( resid 12 and name HA
or resid 48 and name HA
) 3.4 0.7 0.7 volume=0.758 peak=439 ppm1=8.508 ppm2=4.230
assign ( resid 15 and name H
)
( resid 14 and name HA2
or resid 14 and name HA3
) 3.2 0.6 0.6 volume=0.995 peak=440 ppm1=8.512 ppm2=3.732
assign ( resid 15 and name H
)
( resid 15 and name HE#
or resid 202 and name HG
) 3.5 0.7 0.7 volume=0.855 peak=441 ppm1=8.513 ppm2=2.192
assign ( resid 15 and name H
)
( resid 16 and name HB2
) 3.3 0.7 0.7 volume=0.788 peak=442 ppm1=8.511 ppm2=1.993
assign ( resid 15 and name H
)
( resid 48 and name HB#
) 4.0 0.8 0.8 volume=0.812 peak=443 ppm1=8.511 ppm2=1.696
assign ( resid 15 and name H
)
( resid 206 and name HG2#
) 4.2 0.8 0.8 volume=0.605 peak=444 ppm1=8.509 ppm2=1.415
assign ( resid 15 and name H
)
( resid 17 and name HG1#
) 4.5 0.9 0.9 volume=0.371 peak=445 ppm1=8.511 ppm2=1.167
assign ( resid 161 and name H
)
( resid 160 and name HA
) 3.3 0.7 0.7 volume=0.859 peak=446 ppm1=8.630 ppm2=3.887
assign ( resid 16 and name H
)
( resid 17 and name H
) 3.2 0.6 0.6 volume=1.026 peak=447 ppm1=8.993 ppm2=8.662
assign ( resid 16 and name H
)
( resid 14 and name H
) 4.0 0.8 0.8 volume=0.250 peak=448 ppm1=8.998 ppm2=8.857
assign ( resid 16 and name H
)
( resid 15 and name H
) 3.4 0.7 0.7 volume=0.683 peak=449 ppm1=8.994 ppm2=8.519
assign ( resid 16 and name H
)
( resid 18 and name H
) 4.2 0.8 0.8 volume=0.195 peak=450 ppm1=8.993 ppm2=7.968
assign ( resid 16 and name H
)
( resid 15 and name HA
) 3.7 0.7 0.7 volume=0.395 peak=451 ppm1=8.995 ppm2=4.475
assign ( resid 16 and name H
)
( resid 12 and name HA
or resid 48 and name HA
) 3.5 0.7 0.7 volume=0.582 peak=452 ppm1=8.992 ppm2=4.233
assign ( resid 16 and name H
)
( resid 16 and name HA
) 3.2 0.6 0.6 volume=1.083 peak=453 ppm1=8.993 ppm2=4.106
assign ( resid 16 and name H
)
( resid 13 and name HA
) 3.2 0.6 0.6 volume=0.955 peak=454 ppm1=8.990 ppm2=3.857
assign ( resid 16 and name H
)
( resid 14 and name HA2
or resid 14 and name HA3
) 4.1 0.8 0.8 volume=0.221 peak=455 ppm1=8.999 ppm2=3.729
assign ( resid 16 and name H
)
( resid 16 and name HB3
) 3.0 0.6 0.6 volume=1.570 peak=456 ppm1=8.992 ppm2=2.132
assign ( resid 16 and name H
)
( resid 16 and name HB2
) 3.0 0.6 0.6 volume=1.448 peak=457 ppm1=8.994 ppm2=1.988
assign ( resid 16 and name H
)
( resid 48 and name HB#
) 3.8 0.8 0.8 volume=1.000 peak=458 ppm1=8.994 ppm2=1.706
assign ( resid 16 and name H
)
( resid 19 and name HG2#
) 4.3 0.9 0.9 volume=0.504 peak=459 ppm1=8.991 ppm2=1.430
assign ( resid 16 and name H
)
( resid 17 and name HG1#
) 4.2 0.8 0.8 volume=0.599 peak=460 ppm1=8.996 ppm2=1.164
assign ( resid 16 and name H
)
( resid 16 and name HD1#
or resid 16 and name HD2#
or resid 17 and name HG2#
) 3.1 0.6 0.6 volume=3.373 peak=461 ppm1=8.994 ppm2=1.015
assign ( resid 17 and name H
)
( resid 16 and name H
) 3.6 0.7 0.7 volume=0.483 peak=462 ppm1=8.664 ppm2=8.998
assign ( resid 17 and name H
)
( resid 14 and name H
) 4.5 0.9 0.9 volume=0.138 peak=463 ppm1=8.661 ppm2=8.860
assign ( resid 17 and name H
)
( resid 15 and name H
) 4.3 0.9 0.9 volume=0.174 peak=464 ppm1=8.667 ppm2=8.531
assign ( resid 17 and name H
)
( resid 18 and name H
) 3.5 0.7 0.7 volume=0.563 peak=465 ppm1=8.666 ppm2=7.974
assign ( resid 165 and name H
)
( resid 162 and name HA
or resid 163 and name HA
) 3.3 0.7 0.7 volume=0.814 peak=466 ppm1=8.687 ppm2=4.133
assign ( resid 17 and name H
)
( resid 13 and name HA
) 4.1 0.8 0.8 volume=0.237 peak=467 ppm1=8.661 ppm2=3.851
assign ( resid 17 and name H
)
( resid 17 and name HA
or resid 18 and name HA2
or resid 18 and name HA3
) 3.2 0.6 0.6 volume=1.083 peak=468 ppm1=8.667 ppm2=3.613
assign ( resid 165 and name H
)
( resid 161 and name HA
or resid 164 and name HD2
or resid 165 and name HB3
) 3.0 0.6 0.6 volume=1.350 peak=469 ppm1=8.687 ppm2=3.213
assign ( resid 17 and name H
)
( resid 17 and name HB
) 3.1 0.6 0.6 volume=1.288 peak=470 ppm1=8.667 ppm2=2.408
assign ( resid 17 and name H
)
( resid 16 and name HB3
) 3.4 0.7 0.7 volume=0.746 peak=471 ppm1=8.666 ppm2=2.125
assign ( resid 17 and name H
)
( resid 16 and name HB2
) 3.6 0.7 0.7 volume=0.475 peak=472 ppm1=8.671 ppm2=1.979
assign ( resid 17 and name H
)
( resid 20 and name HB2
) 4.4 0.9 0.9 volume=0.147 peak=473 ppm1=8.671 ppm2=1.539
assign ( resid 17 and name H
)
( resid 17 and name HG1#
) 3.4 0.7 0.7 volume=1.978 peak=474 ppm1=8.667 ppm2=1.173
assign ( resid 17 and name H
)
( resid 16 and name HD1#
or resid 16 and name HD2#
or resid 17 and name HG2#
) 3.2 0.6 0.6 volume=2.845 peak=475 ppm1=8.667 ppm2=1.014
assign ( resid 18 and name H
)
( resid 17 and name H
) 3.4 0.7 0.7 volume=0.739 peak=476 ppm1=7.969 ppm2=8.678
assign ( resid 18 and name H
)
( resid 19 and name H
) 3.7 0.7 0.7 volume=0.449 peak=477 ppm1=7.965 ppm2=8.415
assign ( resid 18 and name H
)
( resid 20 and name H
or resid 21 and name H
) 4.0 0.8 0.8 volume=0.258 peak=478 ppm1=7.963 ppm2=8.205
assign ( resid 18 and name H
)
( resid 16 and name HA
) 3.8 0.8 0.8 volume=0.377 peak=479 ppm1=7.965 ppm2=4.114
assign ( resid 18 and name H
)
( resid 15 and name HA
) 3.8 0.8 0.8 volume=0.351 peak=480 ppm1=7.970 ppm2=4.473
assign ( resid 18 and name H
)
( resid 17 and name HA
or resid 18 and name HA2
or resid 18 and name HA3
) 3.2 0.6 0.6 volume=1.083 peak=481 ppm1=7.969 ppm2=3.568
assign ( resid 18 and name H
)
( resid 16 and name HB3
) 4.0 0.8 0.8 volume=0.255 peak=482 ppm1=7.961 ppm2=2.133
assign ( resid 18 and name H
)
( resid 17 and name HB
) 3.2 0.6 0.6 volume=1.012 peak=483 ppm1=7.971 ppm2=2.411
assign ( resid 18 and name H
)
( resid 19 and name HG2#
or resid 206 and name HG2#
) 3.8 0.8 0.8 volume=1.063 peak=484 ppm1=7.966 ppm2=1.429
assign ( resid 18 and name H
)
( resid 17 and name HG1#
) 3.9 0.8 0.8 volume=0.937 peak=485 ppm1=7.969 ppm2=1.171
assign ( resid 18 and name H
)
( resid 16 and name HD1#
or resid 16 and name HD2#
or resid 17 and name HG2#
or resid 206 and name HG1#
) 3.3 0.7 0.7 volume=2.285 peak=486 ppm1=7.968 ppm2=1.018
assign ( resid 21 and name H
)
( resid 18 and name H
) 4.6 0.9 0.9 volume=0.117 peak=487 ppm1=8.174 ppm2=7.953
assign ( resid 19 and name H
)
( resid 18 and name H
) 3.2 0.6 0.6 volume=0.996 peak=488 ppm1=8.415 ppm2=7.981
assign ( resid 19 and name H
)
( resid 20 and name H
) 3.1 0.6 0.6 volume=1.103 peak=489 ppm1=8.417 ppm2=8.240
assign ( resid 19 and name H
)
( resid 19 and name HA
) 3.2 0.6 0.6 volume=1.083 peak=490 ppm1=8.412 ppm2=4.822
assign ( resid 19 and name H
)
( resid 17 and name HA
or resid 18 and name HA2
or resid 18 and name HA3
) 3.3 0.7 0.7 volume=0.880 peak=491 ppm1=8.415 ppm2=3.564
assign ( resid 19 and name H
)
( resid 19 and name HG2#
or resid 206 and name HG2#
) 3.3 0.7 0.7 volume=2.316 peak=492 ppm1=8.415 ppm2=1.438
assign ( resid 20 and name H
)
( resid 20 and name HG
or resid 20 and name HB3
) 2.9 0.6 0.6 volume=1.654 peak=493 ppm1=8.242 ppm2=2.082
assign ( resid 20 and name H
)
( resid 20 and name HB2
or resid 21 and name HB#
) 3.4 0.7 0.7 volume=1.052 peak=494 ppm1=8.243 ppm2=1.545
assign ( resid 20 and name H
)
( resid 16 and name HD1#
or resid 16 and name HD2#
or resid 17 and name HG2#
or resid 20 and name HD2#
or resid 20 and name HD1#
) 3.4 0.7 0.7 volume=2.059 peak=495 ppm1=8.242 ppm2=0.974
assign ( resid 20 and name H
)
( resid 17 and name HG1#
) 4.8 1.0 1.0 volume=0.258 peak=496 ppm1=8.238 ppm2=1.176
assign ( resid 20 and name H
)
( resid 19 and name HG2#
) 4.0 0.8 0.8 volume=0.781 peak=497 ppm1=8.241 ppm2=1.444
assign ( resid 20 and name H
)
( resid 17 and name HA
) 3.8 0.8 0.8 volume=0.378 peak=498 ppm1=8.241 ppm2=3.608
assign ( resid 20 and name H
)
( resid 16 and name HA
or resid 20 and name HA
) 3.2 0.6 0.6 volume=1.083 peak=499 ppm1=8.241 ppm2=4.136
assign ( resid 20 and name H
)
( resid 19 and name HB
) 3.6 0.7 0.7 volume=0.533 peak=500 ppm1=8.234 ppm2=4.585
assign ( resid 20 and name H
)
( resid 17 and name H
) 4.2 0.8 0.8 volume=0.197 peak=501 ppm1=8.242 ppm2=8.694
assign ( resid 21 and name H
)
( resid 22 and name H
) 3.4 0.7 0.7 volume=0.733 peak=502 ppm1=8.175 ppm2=8.748
assign ( resid 21 and name H
)
( resid 23 and name H
) 4.2 0.8 0.8 volume=0.201 peak=503 ppm1=8.174 ppm2=8.610
assign ( resid 21 and name H
)
( resid 19 and name H
) 4.4 0.9 0.9 volume=0.143 peak=504 ppm1=8.173 ppm2=8.410
assign ( resid 21 and name H
)
( resid 22 and name HD#
) 4.8 1.0 1.0 volume=0.184 peak=505 ppm1=8.176 ppm2=7.227
assign ( resid 21 and name H
)
( resid 210 and name HZ
) 4.4 0.9 0.9 volume=0.149 peak=506 ppm1=8.178 ppm2=7.107
assign ( resid 21 and name H
)
( resid 22 and name HA
) 4.5 0.9 0.9 volume=0.138 peak=507 ppm1=8.179 ppm2=4.883
assign ( resid 21 and name H
)
( resid 21 and name HA
) 3.2 0.6 0.6 volume=1.083 peak=508 ppm1=8.176 ppm2=4.261
assign ( resid 21 and name H
)
( resid 20 and name HA
) 3.5 0.7 0.7 volume=0.562 peak=509 ppm1=8.177 ppm2=4.138
assign ( resid 21 and name H
)
( resid 17 and name HA
or resid 18 and name HA2
or resid 18 and name HA3
) 3.8 0.8 0.8 volume=0.333 peak=510 ppm1=8.174 ppm2=3.566
assign ( resid 21 and name H
)
( resid 20 and name HG
or resid 20 and name HB3
) 3.3 0.7 0.7 volume=0.841 peak=511 ppm1=8.177 ppm2=2.079
assign ( resid 21 and name H
)
( resid 20 and name HB2
or resid 21 and name HB#
) 2.9 0.6 0.6 volume=2.606 peak=512 ppm1=8.177 ppm2=1.539
assign ( resid 21 and name H
)
( resid 17 and name HG1#
) 4.7 0.9 0.9 volume=0.298 peak=513 ppm1=8.179 ppm2=1.170
assign ( resid 21 and name H
)
( resid 16 and name HD1#
or resid 16 and name HD2#
or resid 17 and name HG2#
or resid 20 and name HD2#
or resid 20 and name HD1#
) 3.8 0.8 0.8 volume=1.133 peak=514 ppm1=8.176 ppm2=0.981
assign ( resid 210 and name H
)
( resid 22 and name HE#
) 4.2 0.8 0.8 volume=0.415 peak=515 ppm1=9.170 ppm2=7.129
assign ( resid 210 and name H
)
( resid 210 and name HE#
) 4.8 1.0 1.0 volume=0.170 peak=516 ppm1=9.173 ppm2=7.245
assign ( resid 22 and name H
)
( resid 22 and name HD#
) 3.3 0.7 0.7 volume=1.622 peak=517 ppm1=8.740 ppm2=7.219
assign ( resid 208 and name H
)
( resid 208 and name HD#
) 4.0 0.8 0.8 volume=0.565 peak=518 ppm1=7.502 ppm2=6.987
assign ( resid 22 and name H
)
( resid 23 and name H
) 3.1 0.6 0.6 volume=1.212 peak=519 ppm1=8.740 ppm2=8.602
assign ( resid 22 and name H
)
( resid 20 and name H
or resid 21 and name H
) 3.0 0.6 0.6 volume=1.402 peak=520 ppm1=8.740 ppm2=8.189
assign ( resid 138 and name H
)
( resid 138 and name HG1#
) 3.3 0.7 0.7 volume=2.466 peak=521 ppm1=8.735 ppm2=0.485
assign ( resid 138 and name H
)
( resid 137 and name HD1#
or resid 137 and name HD2#
) 3.9 0.8 0.8 volume=0.857 peak=522 ppm1=8.733 ppm2=1.243
assign ( resid 138 and name H
)
( resid 104 and name HD2#
or resid 141 and name HD1#
) 3.5 0.7 0.7 volume=1.659 peak=523 ppm1=8.733 ppm2=1.044
assign ( resid 138 and name H
)
( resid 104 and name HD1#
or resid 138 and name HG2#
) 3.5 0.7 0.7 volume=1.880 peak=524 ppm1=8.734 ppm2=0.942
assign ( resid 138 and name H
)
( resid 141 and name HD2#
) 4.3 0.9 0.9 volume=0.516 peak=525 ppm1=8.733 ppm2=0.689
assign ( resid 23 and name H
)
( resid 22 and name H
or resid 24 and name H
or resid 25 and name H
) 3.3 0.7 0.7 volume=0.859 peak=526 ppm1=8.595 ppm2=8.770
assign ( resid 157 and name H
)
( resid 158 and name H
) 3.2 0.6 0.6 volume=1.027 peak=527 ppm1=8.620 ppm2=8.317
assign ( resid 23 and name H
)
( resid 20 and name H
or resid 21 and name H
) 4.3 0.9 0.9 volume=0.162 peak=528 ppm1=8.595 ppm2=8.190
assign ( resid 157 and name H
)
( resid 153 and name H
) 4.1 0.8 0.8 volume=0.217 peak=529 ppm1=8.610 ppm2=7.995
assign ( resid 157 and name H
)
( resid 159 and name H
) 4.0 0.8 0.8 volume=0.249 peak=530 ppm1=8.617 ppm2=7.709
assign ( resid 157 and name H
)
( resid 156 and name H
) 3.1 0.6 0.6 volume=1.230 peak=531 ppm1=8.621 ppm2=7.591
assign ( resid 23 and name H
)
( resid 22 and name HD#
) 4.4 0.9 0.9 volume=0.303 peak=532 ppm1=8.594 ppm2=7.219
assign ( resid 23 and name H
)
( resid 19 and name HA
or resid 22 and name HA
) 4.1 0.8 0.8 volume=0.218 peak=533 ppm1=8.595 ppm2=4.881
assign ( resid 23 and name H
)
( resid 21 and name HA
or resid 23 and name HA
) 3.2 0.6 0.6 volume=1.083 peak=534 ppm1=8.598 ppm2=4.228
assign ( resid 157 and name H
)
( resid 156 and name HA
) 3.0 0.6 0.6 volume=1.606 peak=535 ppm1=8.620 ppm2=3.912
assign ( resid 23 and name H
)
( resid 22 and name HB3
or resid 24 and name HB2
) 3.7 0.7 0.7 volume=0.438 peak=536 ppm1=8.596 ppm2=3.538
assign ( resid 23 and name H
)
( resid 22 and name HB2
) 4.0 0.8 0.8 volume=0.283 peak=537 ppm1=8.596 ppm2=3.361
assign ( resid 157 and name H
)
( resid 156 and name HB
) 2.8 0.6 0.6 volume=2.133 peak=538 ppm1=8.620 ppm2=2.146
assign ( resid 23 and name H
or resid 157 and name H
)
( resid 23 and name HB#
or resid 156 and name HG13
) 3.1 0.6 0.6 volume=1.959 peak=539 ppm1=8.597 ppm2=1.714
assign ( resid 23 and name H
)
( resid 21 and name HB#
or resid 41 and name HG2#
) 3.8 0.8 0.8 volume=1.071 peak=540 ppm1=8.596 ppm2=1.475
assign ( resid 157 and name H
)
( resid 156 and name HG12
) 3.6 0.7 0.7 volume=0.520 peak=541 ppm1=8.622 ppm2=1.283
assign ( resid 157 and name H
)
( resid 156 and name HG2#
) 3.6 0.7 0.7 volume=1.538 peak=542 ppm1=8.618 ppm2=1.098
assign ( resid 24 and name H
)
( resid 23 and name H
) 3.5 0.7 0.7 volume=0.600 peak=543 ppm1=8.802 ppm2=8.600
assign ( resid 24 and name H
)
( resid 24 and name HE3
) 3.9 0.8 0.8 volume=0.314 peak=544 ppm1=8.804 ppm2=7.646
assign ( resid 24 and name H
)
( resid 24 and name HA
) 3.2 0.6 0.6 volume=1.083 peak=545 ppm1=8.803 ppm2=4.363
assign ( resid 24 and name H
)
( resid 21 and name HA
or resid 23 and name HA
) 3.4 0.7 0.7 volume=0.755 peak=546 ppm1=8.805 ppm2=4.246
assign ( resid 24 and name H
)
( resid 20 and name HA
) 3.8 0.8 0.8 volume=0.336 peak=547 ppm1=8.803 ppm2=4.104
assign ( resid 24 and name H
)
( resid 24 and name HB3
) 3.1 0.6 0.6 volume=1.108 peak=548 ppm1=8.803 ppm2=3.655
assign ( resid 24 and name H
)
( resid 24 and name HB2
) 3.1 0.6 0.6 volume=1.308 peak=549 ppm1=8.804 ppm2=3.530
assign ( resid 24 and name H
)
( resid 25 and name HB#
) 4.4 0.9 0.9 volume=0.467 peak=550 ppm1=8.804 ppm2=1.895
assign ( resid 24 and name H
)
( resid 23 and name HB#
) 3.6 0.7 0.7 volume=1.396 peak=551 ppm1=8.803 ppm2=1.716
assign ( resid 24 and name H
)
( resid 20 and name HB2
or resid 27 and name HG2
) 3.6 0.7 0.7 volume=0.495 peak=552 ppm1=8.805 ppm2=1.499
assign ( resid 25 and name H
)
( resid 23 and name H
) 4.6 0.9 0.9 volume=0.109 peak=553 ppm1=8.752 ppm2=8.597
assign ( resid 25 and name H
)
( resid 26 and name H
) 3.7 0.7 0.7 volume=0.443 peak=554 ppm1=8.757 ppm2=7.822
assign ( resid 25 and name H
)
( resid 27 and name H
) 4.2 0.8 0.8 volume=0.198 peak=555 ppm1=8.752 ppm2=7.366
assign ( resid 25 and name H
)
( resid 24 and name HD1
) 4.1 0.8 0.8 volume=0.221 peak=556 ppm1=8.758 ppm2=7.267
assign ( resid 25 and name H
)
( resid 37 and name HE#
) 5.3 1.1 1.1 volume=0.093 peak=557 ppm1=8.765 ppm2=6.884
assign ( resid 25 and name H
)
( resid 22 and name HA
) 4.2 0.8 0.8 volume=0.191 peak=558 ppm1=8.753 ppm2=4.888
assign ( resid 25 and name H
)
( resid 21 and name HA
or resid 23 and name HA
) 3.9 0.8 0.8 volume=0.295 peak=559 ppm1=8.757 ppm2=4.252
assign ( resid 25 and name H
)
( resid 24 and name HA
) 3.7 0.7 0.7 volume=0.407 peak=560 ppm1=8.755 ppm2=4.362
assign ( resid 25 and name H
)
( resid 25 and name HA
) 3.2 0.6 0.6 volume=1.083 peak=561 ppm1=8.756 ppm2=4.090
assign ( resid 25 and name H
)
( resid 24 and name HB2
) 3.5 0.7 0.7 volume=0.566 peak=562 ppm1=8.756 ppm2=3.532
assign ( resid 25 and name H
)
( resid 24 and name HB3
) 3.5 0.7 0.7 volume=0.564 peak=563 ppm1=8.755 ppm2=3.651
assign ( resid 25 and name H
)
( resid 26 and name HA2
) 4.6 0.9 0.9 volume=0.114 peak=564 ppm1=8.753 ppm2=3.163
assign ( resid 25 and name H
)
( resid 26 and name HA3
) 4.6 0.9 0.9 volume=0.113 peak=565 ppm1=8.748 ppm2=3.026
assign ( resid 25 and name H
)
( resid 25 and name HB#
) 3.6 0.7 0.7 volume=1.566 peak=566 ppm1=8.755 ppm2=1.901
assign ( resid 25 and name H
)
( resid 23 and name HB#
) 4.8 1.0 1.0 volume=0.264 peak=567 ppm1=8.756 ppm2=1.713
assign ( resid 25 and name H
)
( resid 21 and name HB#
) 4.8 1.0 1.0 volume=0.258 peak=568 ppm1=8.755 ppm2=1.512
assign ( resid 25 and name H
)
( resid 213 and name HD1#
or resid 213 and name HD2#
) 4.6 0.9 0.9 volume=0.324 peak=569 ppm1=8.754 ppm2=1.111
assign ( resid 26 and name H
)
( resid 24 and name H
or resid 25 and name H
) 3.4 0.7 0.7 volume=0.695 peak=570 ppm1=7.816 ppm2=8.772
assign ( resid 26 and name H
)
( resid 27 and name H
or resid 37 and name HD#
) 3.3 0.7 0.7 volume=1.206 peak=571 ppm1=7.815 ppm2=7.373
assign ( resid 26 and name H
)
( resid 37 and name HE#
) 4.5 0.9 0.9 volume=0.253 peak=572 ppm1=7.814 ppm2=6.879
assign ( resid 26 and name H
)
( resid 22 and name HA
) 4.8 1.0 1.0 volume=0.092 peak=573 ppm1=7.815 ppm2=4.898
assign ( resid 26 and name H
)
( resid 24 and name HA
) 3.9 0.8 0.8 volume=0.291 peak=574 ppm1=7.816 ppm2=4.350
assign ( resid 26 and name H
)
( resid 23 and name HA
) 3.7 0.7 0.7 volume=0.422 peak=575 ppm1=7.814 ppm2=4.223
assign ( resid 26 and name H
)
( resid 25 and name HA
) 3.5 0.7 0.7 volume=0.615 peak=576 ppm1=7.817 ppm2=4.074
assign ( resid 26 and name H
)
( resid 22 and name HB3
or resid 24 and name HB2
) 4.6 0.9 0.9 volume=0.119 peak=577 ppm1=7.818 ppm2=3.541
assign ( resid 26 and name H
)
( resid 26 and name HA2
or resid 37 and name HB2
) 3.1 0.6 0.6 volume=1.142 peak=578 ppm1=7.816 ppm2=3.166
assign ( resid 26 and name H
)
( resid 26 and name HA3
) 3.2 0.6 0.6 volume=1.083 peak=579 ppm1=7.815 ppm2=3.035
assign ( resid 26 and name H
)
( resid 27 and name HG2
) 3.6 0.7 0.7 volume=0.519 peak=580 ppm1=7.817 ppm2=1.481
assign ( resid 26 and name H
)
( resid 25 and name HB#
or resid 27 and name HB3
) 3.4 0.7 0.7 volume=1.091 peak=581 ppm1=7.815 ppm2=1.905
assign ( resid 26 and name H
)
( resid 23 and name HB#
) 4.7 0.9 0.9 volume=0.293 peak=582 ppm1=7.816 ppm2=1.721
assign ( resid 27 and name H
)
( resid 24 and name H
or resid 25 and name H
) 4.7 0.9 0.9 volume=0.100 peak=583 ppm1=7.371 ppm2=8.759
assign ( resid 27 and name H
or resid 118 and name H
)
( resid 28 and name H
or resid 116 and name H
) 2.8 0.6 0.6 volume=2.145 peak=584 ppm1=7.371 ppm2=7.930
assign ( resid 27 and name H
)
( resid 26 and name H
) 3.8 0.8 0.8 volume=0.381 peak=585 ppm1=7.370 ppm2=7.831
assign ( resid 118 and name H
)
( resid 118 and name HA
) 3.2 0.6 0.6 volume=1.083 peak=586 ppm1=7.375 ppm2=4.573
assign ( resid 118 and name H
)
( resid 117 and name HA
) 3.6 0.7 0.7 volume=0.527 peak=587 ppm1=7.372 ppm2=4.666
assign ( resid 27 and name H
or resid 118 and name H
)
( resid 24 and name HA
or resid 123 and name HA
) 3.9 0.8 0.8 volume=0.305 peak=588 ppm1=7.371 ppm2=4.343
assign ( resid 27 and name H
)
( resid 25 and name HA
or resid 27 and name HA
) 3.2 0.6 0.6 volume=1.083 peak=589 ppm1=7.371 ppm2=4.050
assign ( resid 27 and name H
or resid 118 and name H
)
( resid 24 and name HB3
or resid 114 and name HA
) 3.7 0.7 0.7 volume=0.433 peak=590 ppm1=7.372 ppm2=3.636
assign ( resid 27 and name H
)
( resid 26 and name HA2
or resid 27 and name HD2
) 4.0 0.8 0.8 volume=0.258 peak=591 ppm1=7.370 ppm2=3.165
assign ( resid 27 and name H
)
( resid 26 and name HA3
or resid 27 and name HD3
) 4.1 0.8 0.8 volume=0.228 peak=592 ppm1=7.372 ppm2=3.036
assign ( resid 27 and name H
)
( resid 28 and name HB3
) 3.9 0.8 0.8 volume=0.301 peak=593 ppm1=7.371 ppm2=2.834
assign ( resid 27 and name H
)
( resid 28 and name HB2
) 3.8 0.8 0.8 volume=0.349 peak=594 ppm1=7.371 ppm2=2.534
assign ( resid 27 and name H
or resid 118 and name H
)
( resid 25 and name HB#
or resid 27 and name HB3
or resid 117 and name HE#
) 3.6 0.7 0.7 volume=0.910 peak=595 ppm1=7.371 ppm2=1.918
assign ( resid 118 and name H
)
( resid 118 and name HB
) 2.7 0.5 0.5 volume=2.644 peak=596 ppm1=7.375 ppm2=2.277
assign ( resid 27 and name H
)
( resid 27 and name HB2
) 3.4 0.7 0.7 volume=0.668 peak=597 ppm1=7.371 ppm2=1.773
assign ( resid 27 and name H
or resid 118 and name H
)
( resid 27 and name HG3
or resid 116 and name HB#
) 3.8 0.8 0.8 volume=0.551 peak=598 ppm1=7.371 ppm2=1.645
assign ( resid 27 and name H
)
( resid 27 and name HG2
) 3.6 0.7 0.7 volume=0.513 peak=599 ppm1=7.370 ppm2=1.500
assign ( resid 118 and name H
)
( resid 118 and name HG1#
or resid 118 and name HG2#
) 2.9 0.6 0.6 volume=5.504 peak=600 ppm1=7.374 ppm2=1.136
assign ( resid 118 and name H
)
( resid 63 and name HG2#
or resid 126 and name HD1#
or resid 126 and name HD2#
) 3.7 0.7 0.7 volume=1.319 peak=601 ppm1=7.373 ppm2=1.017
assign ( resid 118 and name H
)
( resid 63 and name HG1#
) 4.8 1.0 1.0 volume=0.255 peak=602 ppm1=7.372 ppm2=0.825
assign ( resid 28 and name H
)
( resid 27 and name H
or resid 29 and name H
) 3.1 0.6 0.6 volume=1.153 peak=603 ppm1=7.920 ppm2=7.337
assign ( resid 28 and name H
)
( resid 28 and name HA
) 3.2 0.6 0.6 volume=1.083 peak=604 ppm1=7.919 ppm2=4.957
assign ( resid 28 and name H
)
( resid 29 and name HA
) 4.0 0.8 0.8 volume=0.267 peak=605 ppm1=7.918 ppm2=4.349
assign ( resid 28 and name H
)
( resid 27 and name HA
) 3.5 0.7 0.7 volume=0.590 peak=606 ppm1=7.920 ppm2=4.050
assign ( resid 28 and name H
)
( resid 28 and name HB3
) 3.4 0.7 0.7 volume=0.694 peak=607 ppm1=7.919 ppm2=2.851
assign ( resid 28 and name H
)
( resid 28 and name HB2
) 3.3 0.7 0.7 volume=0.814 peak=608 ppm1=7.918 ppm2=2.555
assign ( resid 28 and name H
)
( resid 27 and name HB3
) 3.8 0.8 0.8 volume=0.366 peak=609 ppm1=7.919 ppm2=1.915
assign ( resid 28 and name H
)
( resid 27 and name HB2
) 4.0 0.8 0.8 volume=0.272 peak=610 ppm1=7.919 ppm2=1.776
assign ( resid 28 and name H
)
( resid 27 and name HG3
) 3.7 0.7 0.7 volume=0.390 peak=611 ppm1=7.920 ppm2=1.644
assign ( resid 28 and name H
)
( resid 27 and name HG2
or resid 29 and name HB#
) 3.6 0.7 0.7 volume=0.704 peak=612 ppm1=7.919 ppm2=1.502
assign ( resid 29 and name H
)
( resid 28 and name H
) 3.1 0.6 0.6 volume=1.109 peak=613 ppm1=7.316 ppm2=7.923
assign ( resid 29 and name H
)
( resid 30 and name H
) 3.9 0.8 0.8 volume=0.314 peak=614 ppm1=7.317 ppm2=8.884
assign ( resid 29 and name H
)
( resid 28 and name HA
) 3.2 0.6 0.6 volume=1.069 peak=615 ppm1=7.317 ppm2=4.957
assign ( resid 29 and name H
)
( resid 29 and name HA
) 3.2 0.6 0.6 volume=1.083 peak=616 ppm1=7.317 ppm2=4.347
assign ( resid 29 and name H
)
( resid 27 and name HA
) 3.9 0.8 0.8 volume=0.312 peak=617 ppm1=7.317 ppm2=4.054
assign ( resid 29 and name H
)
( resid 28 and name HB3
) 3.9 0.8 0.8 volume=0.322 peak=618 ppm1=7.317 ppm2=2.849
assign ( resid 29 and name H
)
( resid 28 and name HB2
) 3.6 0.7 0.7 volume=0.458 peak=619 ppm1=7.316 ppm2=2.550
assign ( resid 29 and name H
)
( resid 29 and name HB#
) 3.4 0.7 0.7 volume=2.027 peak=620 ppm1=7.316 ppm2=1.487
assign ( resid 30 and name H
)
( resid 31 and name H
) 4.5 0.9 0.9 volume=0.122 peak=621 ppm1=8.877 ppm2=8.741
assign ( resid 30 and name H
)
( resid 33 and name H
) 4.9 1.0 1.0 volume=0.077 peak=622 ppm1=8.883 ppm2=8.195
assign ( resid 30 and name H
)
( resid 29 and name H
) 4.0 0.8 0.8 volume=0.274 peak=623 ppm1=8.879 ppm2=7.333
assign ( resid 30 and name H
)
( resid 29 and name HA
) 3.0 0.6 0.6 volume=1.622 peak=624 ppm1=8.879 ppm2=4.347
assign ( resid 30 and name H
)
( resid 30 and name HA3
or resid 30 and name HA2
) 3.2 0.6 0.6 volume=1.083 peak=625 ppm1=8.879 ppm2=4.136
assign ( resid 30 and name H
)
( resid 33 and name HG3
or resid 33 and name HG2
) 3.6 0.7 0.7 volume=0.454 peak=626 ppm1=8.879 ppm2=2.504
assign ( resid 30 and name H
)
( resid 29 and name HB#
) 3.9 0.8 0.8 volume=0.897 peak=627 ppm1=8.878 ppm2=1.485
assign ( resid 30 and name H
)
( resid 33 and name HB3
) 5.1 1.0 1.0 volume=0.062 peak=628 ppm1=8.879 ppm2=1.923
assign ( resid 30 and name H
)
( resid 33 and name HB2
) 5.4 1.1 1.1 volume=0.041 peak=629 ppm1=8.882 ppm2=2.089
assign ( resid 31 and name H
)
( resid 30 and name H
) 4.0 0.8 0.8 volume=0.276 peak=630 ppm1=8.759 ppm2=8.852
assign ( resid 31 and name H
)
( resid 31 and name HA
) 3.2 0.6 0.6 volume=1.083 peak=631 ppm1=8.755 ppm2=4.707
assign ( resid 31 and name H
)
( resid 30 and name HA3
or resid 30 and name HA2
) 3.0 0.6 0.6 volume=1.521 peak=632 ppm1=8.753 ppm2=4.135
assign ( resid 32 and name H
)
( resid 30 and name HA3
or resid 30 and name HA2
) 3.3 0.7 0.7 volume=0.804 peak=633 ppm1=9.095 ppm2=4.176
assign ( resid 32 and name H
)
( resid 31 and name HA
) 3.3 0.7 0.7 volume=0.825 peak=634 ppm1=9.098 ppm2=4.704
assign ( resid 33 and name H
)
( resid 32 and name H
) 3.7 0.7 0.7 volume=0.409 peak=635 ppm1=8.189 ppm2=9.109
assign ( resid 33 and name H
)
( resid 30 and name H
) 3.9 0.8 0.8 volume=0.313 peak=636 ppm1=8.184 ppm2=8.889
assign ( resid 33 and name H
)
( resid 35 and name H
) 3.7 0.7 0.7 volume=0.445 peak=637 ppm1=8.194 ppm2=8.522
assign ( resid 34 and name H
)
( resid 37 and name HD#
) 3.7 0.7 0.7 volume=0.828 peak=638 ppm1=8.345 ppm2=7.374
assign ( resid 35 and name H
)
( resid 37 and name H
) 4.0 0.8 0.8 volume=0.246 peak=639 ppm1=8.500 ppm2=7.381
assign ( resid 36 and name H
)
( resid 37 and name HD#
or resid 37 and name H
) 3.4 0.7 0.7 volume=0.926 peak=640 ppm1=7.719 ppm2=7.379
assign ( resid 33 and name H
)
( resid 30 and name HA3
or resid 30 and name HA2
) 2.6 0.5 0.5 volume=3.516 peak=641 ppm1=8.192 ppm2=4.182
assign ( resid 33 and name H
)
( resid 33 and name HG3
or resid 33 and name HG2
) 2.5 0.5 0.5 volume=4.603 peak=642 ppm1=8.190 ppm2=2.504
assign ( resid 33 and name H
)
( resid 33 and name HB2
) 3.2 0.6 0.6 volume=1.072 peak=643 ppm1=8.197 ppm2=2.090
assign ( resid 33 and name H
)
( resid 33 and name HB3
) 3.6 0.7 0.7 volume=0.524 peak=644 ppm1=8.199 ppm2=1.910
assign ( resid 33 and name H
)
( resid 29 and name HB#
) 3.7 0.7 0.7 volume=1.227 peak=645 ppm1=8.194 ppm2=1.478
assign ( resid 195 and name H
)
( resid 198 and name H
) 4.0 0.8 0.8 volume=0.276 peak=646 ppm1=8.349 ppm2=8.764
assign ( resid 34 and name H
or resid 195 and name H
)
( resid 35 and name H
or resid 196 and name H
) 3.0 0.6 0.6 volume=1.334 peak=647 ppm1=8.349 ppm2=8.505
assign ( resid 34 and name H
or resid 107 and name H
or resid 195 and name H
)
( resid 33 and name H
or resid 105 and name H
or resid 193 and name H
or resid 194 and name H
) 2.6 0.5 0.5 volume=3.711 peak=648 ppm1=8.347 ppm2=8.199
assign ( resid 107 and name H
)
( resid 108 and name H
) 3.3 0.7 0.7 volume=0.807 peak=649 ppm1=8.345 ppm2=7.762
assign ( resid 34 and name H
)
( resid 33 and name HG3
or resid 33 and name HG2
) 2.8 0.6 0.6 volume=2.364 peak=650 ppm1=8.346 ppm2=2.494
assign ( resid 35 and name H
)
( resid 34 and name H
) 3.8 0.8 0.8 volume=0.373 peak=651 ppm1=8.501 ppm2=8.356
assign ( resid 35 and name H
)
( resid 33 and name H
) 4.4 0.9 0.9 volume=0.139 peak=652 ppm1=8.508 ppm2=8.202
assign ( resid 35 and name H
)
( resid 36 and name H
) 3.9 0.8 0.8 volume=0.295 peak=653 ppm1=8.507 ppm2=7.734
assign ( resid 35 and name H
)
( resid 36 and name HD#
) 5.0 1.0 1.0 volume=0.141 peak=654 ppm1=8.496 ppm2=6.711
assign ( resid 35 and name H
)
( resid 35 and name HA
) 3.2 0.6 0.6 volume=1.083 peak=655 ppm1=8.503 ppm2=4.250
assign ( resid 35 and name H
)
( resid 36 and name HB3
) 4.7 0.9 0.9 volume=0.096 peak=656 ppm1=8.503 ppm2=2.995
assign ( resid 35 and name H
)
( resid 38 and name HG1#
) 5.5 1.1 1.1 volume=0.110 peak=657 ppm1=8.495 ppm2=1.174
assign ( resid 36 and name H
)
( resid 36 and name HD#
) 3.7 0.7 0.7 volume=0.836 peak=658 ppm1=7.719 ppm2=6.711
assign ( resid 36 and name H
)
( resid 38 and name H
) 4.9 1.0 1.0 volume=0.077 peak=659 ppm1=7.725 ppm2=8.800
assign ( resid 162 and name H
)
( resid 161 and name H
) 3.3 0.7 0.7 volume=0.874 peak=660 ppm1=7.735 ppm2=8.642
assign ( resid 54 and name H
)
( resid 53 and name H
or resid 55 and name H
) 2.9 0.6 0.6 volume=1.811 peak=661 ppm1=7.681 ppm2=8.437
assign ( resid 162 and name H
)
( resid 163 and name H
) 3.3 0.7 0.7 volume=0.825 peak=662 ppm1=7.737 ppm2=8.199
assign ( resid 36 and name H
)
( resid 34 and name HA
) 4.4 0.9 0.9 volume=0.158 peak=663 ppm1=7.716 ppm2=4.784
assign ( resid 36 and name H
or resid 162 and name H
)
( resid 35 and name HA
or resid 158 and name HA
or resid 159 and name HA
) 3.5 0.7 0.7 volume=0.550 peak=664 ppm1=7.726 ppm2=4.256
assign ( resid 36 and name H
or resid 162 and name H
)
( resid 36 and name HA
or resid 162 and name HA
) 3.2 0.6 0.6 volume=1.083 peak=665 ppm1=7.732 ppm2=4.142
assign ( resid 159 and name H
)
( resid 158 and name HA
or resid 159 and name HA
) 3.2 0.6 0.6 volume=1.083 peak=666 ppm1=7.713 ppm2=4.262
assign ( resid 159 and name H
)
( resid 158 and name HB3
or resid 158 and name HB2
) 3.3 0.7 0.7 volume=0.783 peak=667 ppm1=7.712 ppm2=4.104
assign ( resid 159 and name H
)
( resid 156 and name HA
) 3.3 0.7 0.7 volume=0.774 peak=668 ppm1=7.715 ppm2=3.884
assign ( resid 39 and name H
or resid 172 and name H
)
( resid 38 and name HA
or resid 169 and name HA
) 3.6 0.7 0.7 volume=0.493 peak=669 ppm1=7.740 ppm2=3.804
assign ( resid 39 and name H
or resid 172 and name H
)
( resid 35 and name HA
or resid 172 and name HA
) 3.2 0.6 0.6 volume=1.083 peak=670 ppm1=7.742 ppm2=4.222
assign ( resid 39 and name H
)
( resid 36 and name HA
or resid 39 and name HA
) 3.2 0.6 0.6 volume=1.083 peak=671 ppm1=7.724 ppm2=4.053
assign ( resid 162 and name H
)
( resid 160 and name HA
) 4.0 0.8 0.8 volume=0.245 peak=672 ppm1=7.737 ppm2=3.891
assign ( resid 36 and name H
)
( resid 36 and name HB3
) 3.7 0.7 0.7 volume=0.434 peak=673 ppm1=7.718 ppm2=3.004
assign ( resid 36 and name H
)
( resid 36 and name HB2
) 3.8 0.8 0.8 volume=0.349 peak=674 ppm1=7.716 ppm2=2.912
assign ( resid 36 and name H
or resid 162 and name H
)
( resid 37 and name HB3
or resid 161 and name HA
) 3.0 0.6 0.6 volume=1.531 peak=675 ppm1=7.732 ppm2=3.264
assign ( resid 162 and name H
)
( resid 161 and name HB
) 3.1 0.6 0.6 volume=1.286 peak=676 ppm1=7.733 ppm2=2.288
assign ( resid 54 and name H
)
( resid 53 and name HB
) 3.1 0.6 0.6 volume=1.106 peak=677 ppm1=7.683 ppm2=2.316
assign ( resid 162 and name H
)
( resid 162 and name HB2
) 2.7 0.5 0.5 volume=2.549 peak=678 ppm1=7.734 ppm2=2.072
assign ( resid 162 and name H
)
( resid 162 and name HB3
) 2.7 0.5 0.5 volume=2.998 peak=679 ppm1=7.732 ppm2=1.976
assign ( resid 36 and name H
or resid 162 and name H
)
( resid 39 and name HG2#
) 3.6 0.7 0.7 volume=1.523 peak=680 ppm1=7.732 ppm2=1.742
assign ( resid 36 and name H
or resid 162 and name H
)
( resid 38 and name HG2#
or resid 161 and name HG1#
or resid 163 and name HB2
) 3.2 0.6 0.6 volume=1.710 peak=681 ppm1=7.733 ppm2=1.306
assign ( resid 54 and name H
)
( resid 54 and name HE#
) 3.8 0.8 0.8 volume=1.101 peak=682 ppm1=7.683 ppm2=1.279
assign ( resid 162 and name H
)
( resid 161 and name HG2#
) 3.5 0.7 0.7 volume=1.900 peak=683 ppm1=7.735 ppm2=1.066
assign ( resid 54 and name H
)
( resid 53 and name HG2#
) 3.6 0.7 0.7 volume=1.504 peak=684 ppm1=7.678 ppm2=1.142
assign ( resid 54 and name H
)
( resid 53 and name HG1#
or resid 58 and name HG2#
) 3.5 0.7 0.7 volume=1.652 peak=685 ppm1=7.681 ppm2=0.991
assign ( resid 54 and name H
)
( resid 55 and name HB#
) 4.1 0.8 0.8 volume=0.652 peak=686 ppm1=7.681 ppm2=0.213
assign ( resid 37 and name H
)
( resid 38 and name H
) 3.3 0.7 0.7 volume=0.784 peak=687 ppm1=7.385 ppm2=8.795
assign ( resid 37 and name H
)
( resid 36 and name H
or resid 39 and name H
) 3.1 0.6 0.6 volume=1.152 peak=688 ppm1=7.386 ppm2=7.727
assign ( resid 37 and name H
)
( resid 37 and name HE#
) 3.8 0.8 0.8 volume=0.691 peak=689 ppm1=7.382 ppm2=6.883
assign ( resid 37 and name H
)
( resid 36 and name HD#
) 3.8 0.8 0.8 volume=0.720 peak=690 ppm1=7.385 ppm2=6.713
assign ( resid 37 and name H
)
( resid 37 and name HA
) 3.2 0.6 0.6 volume=1.083 peak=691 ppm1=7.386 ppm2=4.302
assign ( resid 37 and name H
)
( resid 35 and name HA
) 3.3 0.7 0.7 volume=0.855 peak=692 ppm1=7.386 ppm2=4.238
assign ( resid 37 and name H
)
( resid 36 and name HA
) 3.3 0.7 0.7 volume=0.773 peak=693 ppm1=7.385 ppm2=4.100
assign ( resid 37 and name H
)
( resid 37 and name HB3
) 3.2 0.6 0.6 volume=0.945 peak=694 ppm1=7.386 ppm2=3.292
assign ( resid 37 and name H
)
( resid 37 and name HB2
) 3.1 0.6 0.6 volume=1.183 peak=695 ppm1=7.385 ppm2=3.155
assign ( resid 37 and name H
)
( resid 36 and name HB3
) 3.3 0.7 0.7 volume=0.869 peak=696 ppm1=7.385 ppm2=3.018
assign ( resid 37 and name H
)
( resid 36 and name HB2
) 3.5 0.7 0.7 volume=0.540 peak=697 ppm1=7.386 ppm2=2.918
assign ( resid 37 and name H
)
( resid 33 and name HB2
) 3.9 0.8 0.8 volume=0.310 peak=698 ppm1=7.381 ppm2=2.090
assign ( resid 37 and name H
)
( resid 33 and name HB3
) 3.8 0.8 0.8 volume=0.365 peak=699 ppm1=7.385 ppm2=1.913
assign ( resid 37 and name H
)
( resid 38 and name HG2#
) 4.1 0.8 0.8 volume=0.652 peak=700 ppm1=7.386 ppm2=1.299
assign ( resid 37 and name H
)
( resid 38 and name HG1#
) 4.8 1.0 1.0 volume=0.266 peak=701 ppm1=7.386 ppm2=1.159
assign ( resid 37 and name H
)
( resid 38 and name HB
) 3.8 0.8 0.8 volume=0.360 peak=702 ppm1=7.378 ppm2=2.300
assign ( resid 38 and name H
)
( resid 36 and name H
or resid 39 and name H
) 3.2 0.6 0.6 volume=0.933 peak=703 ppm1=8.793 ppm2=7.730
assign ( resid 38 and name H
)
( resid 37 and name HD#
or resid 37 and name H
) 3.0 0.6 0.6 volume=1.837 peak=704 ppm1=8.792 ppm2=7.379
assign ( resid 38 and name H
)
( resid 34 and name HA
or resid 39 and name HB
) 3.9 0.8 0.8 volume=0.330 peak=705 ppm1=8.792 ppm2=4.739
assign ( resid 38 and name H
)
( resid 35 and name HA
or resid 37 and name HA
) 3.1 0.6 0.6 volume=1.112 peak=706 ppm1=8.791 ppm2=4.264
assign ( resid 38 and name H
)
( resid 36 and name HA
) 3.7 0.7 0.7 volume=0.386 peak=707 ppm1=8.792 ppm2=4.071
assign ( resid 38 and name H
)
( resid 38 and name HA
) 3.2 0.6 0.6 volume=1.083 peak=708 ppm1=8.793 ppm2=3.788
assign ( resid 38 and name H
)
( resid 37 and name HB3
) 3.5 0.7 0.7 volume=0.576 peak=709 ppm1=8.792 ppm2=3.293
assign ( resid 38 and name H
)
( resid 37 and name HB2
) 3.4 0.7 0.7 volume=0.679 peak=710 ppm1=8.792 ppm2=3.155
assign ( resid 38 and name H
)
( resid 36 and name HB3
) 4.0 0.8 0.8 volume=0.258 peak=711 ppm1=8.793 ppm2=3.038
assign ( resid 38 and name H
)
( resid 38 and name HB
) 2.9 0.6 0.6 volume=1.716 peak=712 ppm1=8.794 ppm2=2.313
assign ( resid 38 and name H
)
( resid 39 and name HG2#
) 5.0 1.0 1.0 volume=0.209 peak=713 ppm1=8.802 ppm2=1.758
assign ( resid 38 and name H
)
( resid 41 and name H
) 4.2 0.8 0.8 volume=0.192 peak=714 ppm1=8.792 ppm2=8.334
assign ( resid 38 and name H
)
( resid 40 and name HB2
) 4.0 0.8 0.8 volume=0.250 peak=715 ppm1=8.778 ppm2=1.016
assign ( resid 39 and name H
)
( resid 38 and name H
) 3.6 0.7 0.7 volume=0.497 peak=716 ppm1=7.722 ppm2=8.799
assign ( resid 39 and name H
)
( resid 41 and name H
) 4.4 0.9 0.9 volume=0.155 peak=717 ppm1=7.717 ppm2=8.317
assign ( resid 39 and name H
)
( resid 39 and name HG2#
) 4.0 0.8 0.8 volume=0.757 peak=718 ppm1=7.720 ppm2=1.764
assign ( resid 39 and name H
or resid 172 and name H
)
( resid 37 and name H
or resid 86 and name HD#
or resid 134 and name HZ
) 3.4 0.7 0.7 volume=0.770 peak=719 ppm1=7.731 ppm2=7.386
assign ( resid 39 and name H
or resid 172 and name H
)
( resid 40 and name H
or resid 171 and name HD1
or resid 174 and name H
) 3.0 0.6 0.6 volume=1.604 peak=720 ppm1=7.742 ppm2=7.517
assign ( resid 40 and name H
)
( resid 37 and name H
or resid 86 and name HD#
) 3.4 0.7 0.7 volume=0.945 peak=721 ppm1=7.528 ppm2=7.377
assign ( resid 174 and name H
)
( resid 174 and name HD#
) 4.0 0.8 0.8 volume=0.540 peak=722 ppm1=7.548 ppm2=7.116
assign ( resid 40 and name H
)
( resid 39 and name H
) 3.6 0.7 0.7 volume=0.460 peak=723 ppm1=7.525 ppm2=7.722
assign ( resid 174 and name H
)
( resid 172 and name H
) 3.7 0.7 0.7 volume=0.404 peak=724 ppm1=7.556 ppm2=7.714
assign ( resid 40 and name H
)
( resid 39 and name HB
) 3.7 0.7 0.7 volume=0.427 peak=725 ppm1=7.526 ppm2=4.739
assign ( resid 40 and name H
)
( resid 37 and name HA
) 3.6 0.7 0.7 volume=0.494 peak=726 ppm1=7.527 ppm2=4.297
assign ( resid 40 and name H
)
( resid 38 and name HA
) 3.9 0.8 0.8 volume=0.307 peak=727 ppm1=7.520 ppm2=3.806
assign ( resid 40 and name H
)
( resid 41 and name HG2#
) 4.0 0.8 0.8 volume=0.761 peak=728 ppm1=7.537 ppm2=1.465
assign ( resid 40 and name H
)
( resid 40 and name HD2#
) 3.8 0.8 0.8 volume=1.016 peak=729 ppm1=7.525 ppm2=0.523
assign ( resid 40 and name H
)
( resid 40 and name HD1#
) 4.0 0.8 0.8 volume=0.738 peak=730 ppm1=7.522 ppm2=0.413
assign ( resid 199 and name H
)
( resid 198 and name HB
) 3.1 0.6 0.6 volume=1.328 peak=731 ppm1=7.516 ppm2=2.341
assign ( resid 199 and name H
)
( resid 199 and name HB3
) 3.0 0.6 0.6 volume=1.627 peak=732 ppm1=7.514 ppm2=3.401
assign ( resid 199 and name H
)
( resid 199 and name HB2
) 2.9 0.6 0.6 volume=1.739 peak=733 ppm1=7.515 ppm2=3.077
assign ( resid 199 and name H
)
( resid 196 and name HA
or resid 199 and name HA
) 2.8 0.6 0.6 volume=2.314 peak=734 ppm1=7.518 ppm2=4.102
assign ( resid 40 and name H
)
( resid 41 and name H
or resid 43 and name H
) 3.4 0.7 0.7 volume=0.641 peak=735 ppm1=7.531 ppm2=8.314
assign ( resid 84 and name H
)
( resid 85 and name H
) 3.5 0.7 0.7 volume=0.613 peak=736 ppm1=8.271 ppm2=9.148
assign ( resid 41 and name H
)
( resid 42 and name H
) 3.3 0.7 0.7 volume=0.814 peak=737 ppm1=8.320 ppm2=8.571
assign ( resid 41 and name H
)
( resid 40 and name H
) 3.8 0.8 0.8 volume=0.377 peak=738 ppm1=8.324 ppm2=7.527
assign ( resid 84 and name H
)
( resid 82 and name H
) 3.6 0.7 0.7 volume=0.459 peak=739 ppm1=8.286 ppm2=6.921
assign ( resid 84 and name H
)
( resid 81 and name HA
) 3.3 0.7 0.7 volume=0.794 peak=740 ppm1=8.281 ppm2=4.506
assign ( resid 41 and name H
)
( resid 41 and name HA
) 3.2 0.6 0.6 volume=1.083 peak=741 ppm1=8.321 ppm2=4.093
assign ( resid 41 and name H
)
( resid 38 and name HA
) 3.2 0.6 0.6 volume=1.053 peak=742 ppm1=8.318 ppm2=3.792
assign ( resid 84 and name H
)
( resid 84 and name HA
) 3.2 0.6 0.6 volume=1.083 peak=743 ppm1=8.283 ppm2=3.777
assign ( resid 41 and name H
)
( resid 41 and name HB
) 3.1 0.6 0.6 volume=1.295 peak=744 ppm1=8.322 ppm2=2.596
assign ( resid 84 and name H
)
( resid 84 and name HB
) 2.9 0.6 0.6 volume=1.689 peak=745 ppm1=8.281 ppm2=2.363
assign ( resid 41 and name H
)
( resid 39 and name HG2#
) 4.4 0.9 0.9 volume=0.472 peak=746 ppm1=8.320 ppm2=1.719
assign ( resid 41 and name H
)
( resid 41 and name HG2#
) 3.3 0.7 0.7 volume=2.551 peak=747 ppm1=8.321 ppm2=1.467
assign ( resid 41 and name H
)
( resid 38 and name HG1#
or resid 41 and name HG1#
) 3.4 0.7 0.7 volume=1.950 peak=748 ppm1=8.319 ppm2=1.173
assign ( resid 84 and name H
)
( resid 84 and name HG2#
) 3.3 0.7 0.7 volume=2.327 peak=749 ppm1=8.282 ppm2=1.086
assign ( resid 84 and name H
)
( resid 83 and name HG2#
) 3.7 0.7 0.7 volume=1.168 peak=750 ppm1=8.284 ppm2=0.867
assign ( resid 41 and name H
)
( resid 40 and name HD2#
) 4.5 0.9 0.9 volume=0.389 peak=751 ppm1=8.319 ppm2=0.526
assign ( resid 84 and name H
)
( resid 171 and name HH2
) 3.4 0.7 0.7 volume=0.671 peak=752 ppm1=8.283 ppm2=7.495
assign ( resid 42 and name H
)
( resid 41 and name H
or resid 43 and name H
) 3.4 0.7 0.7 volume=0.737 peak=753 ppm1=8.561 ppm2=8.317
assign ( resid 42 and name H
)
( resid 39 and name HA
or resid 41 and name HA
) 3.5 0.7 0.7 volume=0.595 peak=754 ppm1=8.562 ppm2=4.064
assign ( resid 42 and name H
)
( resid 42 and name HA3
) 3.2 0.6 0.6 volume=0.935 peak=755 ppm1=8.561 ppm2=3.877
assign ( resid 42 and name H
)
( resid 42 and name HA2
) 3.2 0.6 0.6 volume=1.083 peak=756 ppm1=8.562 ppm2=3.687
assign ( resid 42 and name H
)
( resid 41 and name HB
) 3.6 0.7 0.7 volume=0.475 peak=757 ppm1=8.562 ppm2=2.595
assign ( resid 42 and name H
)
( resid 40 and name HB3
or resid 43 and name HB
) 4.3 0.9 0.9 volume=0.161 peak=758 ppm1=8.559 ppm2=2.080
assign ( resid 42 and name H
)
( resid 41 and name HG2#
) 4.1 0.8 0.8 volume=0.638 peak=759 ppm1=8.565 ppm2=1.460
assign ( resid 42 and name H
)
( resid 38 and name HG2#
) 5.2 1.0 1.0 volume=0.163 peak=760 ppm1=8.559 ppm2=1.292
assign ( resid 42 and name H
)
( resid 38 and name HG1#
or resid 41 and name HG1#
) 3.9 0.8 0.8 volume=0.870 peak=761 ppm1=8.563 ppm2=1.171
assign ( resid 42 and name H
)
( resid 82 and name HD1#
or resid 82 and name HD2#
) 4.5 0.9 0.9 volume=0.366 peak=762 ppm1=8.562 ppm2=1.040
assign ( resid 140 and name H
)
( resid 141 and name HD2#
) 4.7 0.9 0.9 volume=0.315 peak=763 ppm1=8.317 ppm2=0.692
assign ( resid 140 and name H
)
( resid 139 and name H
) 3.1 0.6 0.6 volume=1.172 peak=764 ppm1=8.313 ppm2=8.584
assign ( resid 140 and name H
)
( resid 139 and name HD#
) 3.5 0.7 0.7 volume=1.154 peak=765 ppm1=8.317 ppm2=6.978
assign ( resid 140 and name H
)
( resid 140 and name HD#
) 3.5 0.7 0.7 volume=1.164 peak=766 ppm1=8.317 ppm2=7.178
assign ( resid 123 and name H
)
( resid 126 and name H
) 4.4 0.9 0.9 volume=0.152 peak=767 ppm1=8.269 ppm2=7.221
assign ( resid 123 and name H
)
( resid 124 and name HD#
) 4.4 0.9 0.9 volume=0.283 peak=768 ppm1=8.256 ppm2=7.407
assign ( resid 46 and name H
)
( resid 44 and name HA
) 3.6 0.7 0.7 volume=0.513 peak=769 ppm1=8.229 ppm2=4.622
assign ( resid 123 and name H
)
( resid 120 and name HA2
or resid 121 and name HA
or resid 123 and name HA
) 3.2 0.6 0.6 volume=1.083 peak=770 ppm1=8.260 ppm2=4.297
assign ( resid 140 and name H
)
( resid 136 and name HA3
or resid 139 and name HB3
or resid 140 and name HA
) 2.9 0.6 0.6 volume=1.903 peak=771 ppm1=8.315 ppm2=3.655
assign ( resid 140 and name H
)
( resid 140 and name HB2
) 3.0 0.6 0.6 volume=1.583 peak=772 ppm1=8.317 ppm2=3.334
assign ( resid 123 and name H
)
( resid 123 and name HD3
or resid 123 and name HD2
) 3.9 0.8 0.8 volume=0.287 peak=773 ppm1=8.264 ppm2=3.331
assign ( resid 140 and name H
)
( resid 139 and name HB2
) 3.4 0.7 0.7 volume=0.715 peak=774 ppm1=8.318 ppm2=3.137
assign ( resid 140 and name H
)
( resid 140 and name HB3
) 3.0 0.6 0.6 volume=1.366 peak=775 ppm1=8.317 ppm2=2.980
assign ( resid 123 and name H
)
( resid 122 and name HG3
) 4.0 0.8 0.8 volume=0.259 peak=776 ppm1=8.268 ppm2=2.579
assign ( resid 123 and name H
)
( resid 122 and name HG2
) 4.1 0.8 0.8 volume=0.229 peak=777 ppm1=8.263 ppm2=2.450
assign ( resid 123 and name H
)
( resid 118 and name HB
) 3.6 0.7 0.7 volume=0.489 peak=778 ppm1=8.257 ppm2=2.290
assign ( resid 123 and name H
)
( resid 122 and name HB3
or resid 122 and name HB2
or resid 126 and name HG
) 3.3 0.7 0.7 volume=0.785 peak=779 ppm1=8.253 ppm2=2.141
assign ( resid 135 and name H
)
( resid 135 and name HG13
) 3.1 0.6 0.6 volume=1.110 peak=780 ppm1=8.196 ppm2=2.101
assign ( resid 43 and name H
)
( resid 41 and name HG2#
) 4.5 0.9 0.9 volume=0.390 peak=781 ppm1=8.304 ppm2=1.432
assign ( resid 123 and name H
)
( resid 118 and name HG1#
or resid 118 and name HG2#
) 3.7 0.7 0.7 volume=1.187 peak=782 ppm1=8.260 ppm2=1.139
assign ( resid 102 and name H
)
( resid 102 and name HB
) 2.9 0.6 0.6 volume=1.914 peak=783 ppm1=8.652 ppm2=2.172
assign ( resid 129 and name H
)
( resid 129 and name HG2
) 3.5 0.7 0.7 volume=0.593 peak=784 ppm1=8.045 ppm2=2.655
assign ( resid 129 and name H
or resid 186 and name H
)
( resid 129 and name HG3
or resid 185 and name HB
) 3.6 0.7 0.7 volume=0.485 peak=785 ppm1=8.041 ppm2=2.531
assign ( resid 44 and name H
)
( resid 45 and name H
) 3.2 0.6 0.6 volume=1.096 peak=786 ppm1=8.008 ppm2=9.073
assign ( resid 44 and name H
)
( resid 42 and name H
) 3.9 0.8 0.8 volume=0.314 peak=787 ppm1=8.006 ppm2=8.561
assign ( resid 44 and name H
)
( resid 41 and name H
or resid 43 and name H
) 3.3 0.7 0.7 volume=0.852 peak=788 ppm1=8.007 ppm2=8.300
assign ( resid 44 and name H
)
( resid 44 and name HA
) 3.2 0.6 0.6 volume=1.083 peak=789 ppm1=8.008 ppm2=4.638
assign ( resid 44 and name H
)
( resid 40 and name HA
) 3.2 0.6 0.6 volume=1.099 peak=790 ppm1=8.004 ppm2=4.168
assign ( resid 44 and name H
)
( resid 41 and name HA
or resid 45 and name HA2
) 3.0 0.6 0.6 volume=1.375 peak=791 ppm1=8.007 ppm2=4.067
assign ( resid 44 and name H
)
( resid 45 and name HA3
) 3.6 0.7 0.7 volume=0.457 peak=792 ppm1=8.009 ppm2=3.824
assign ( resid 44 and name H
)
( resid 42 and name HA2
or resid 43 and name HA
) 3.4 0.7 0.7 volume=0.688 peak=793 ppm1=8.003 ppm2=3.697
assign ( resid 44 and name H
)
( resid 19 and name HG2#
or resid 41 and name HG2#
) 3.9 0.8 0.8 volume=0.858 peak=794 ppm1=8.009 ppm2=1.438
assign ( resid 44 and name H
)
( resid 43 and name HD1#
) 4.0 0.8 0.8 volume=0.840 peak=795 ppm1=8.007 ppm2=0.875
assign ( resid 45 and name H
)
( resid 19 and name HB
or resid 44 and name HA
) 3.9 0.8 0.8 volume=0.311 peak=796 ppm1=9.071 ppm2=4.632
assign ( resid 45 and name H
)
( resid 41 and name HG1#
) 4.8 1.0 1.0 volume=0.275 peak=797 ppm1=9.072 ppm2=1.178
assign ( resid 45 and name H
)
( resid 46 and name HG2#
) 4.6 0.9 0.9 volume=0.353 peak=798 ppm1=9.074 ppm2=0.972
assign ( resid 45 and name H
)
( resid 19 and name HG2#
or resid 41 and name HG2#
) 3.9 0.8 0.8 volume=0.855 peak=799 ppm1=9.072 ppm2=1.439
assign ( resid 45 and name H
)
( resid 46 and name HG12
) 3.7 0.7 0.7 volume=0.398 peak=800 ppm1=9.073 ppm2=1.713
assign ( resid 45 and name H
)
( resid 41 and name HA
or resid 45 and name HA2
) 3.1 0.6 0.6 volume=1.157 peak=801 ppm1=9.072 ppm2=4.035
assign ( resid 45 and name H
)
( resid 45 and name HA3
) 3.2 0.6 0.6 volume=1.083 peak=802 ppm1=9.073 ppm2=3.811
assign ( resid 45 and name H
)
( resid 42 and name HA2
) 3.9 0.8 0.8 volume=0.313 peak=803 ppm1=9.071 ppm2=3.682
assign ( resid 45 and name H
)
( resid 44 and name H
) 3.7 0.7 0.7 volume=0.430 peak=804 ppm1=9.074 ppm2=8.010
assign ( resid 45 and name H
)
( resid 46 and name H
) 3.7 0.7 0.7 volume=0.418 peak=805 ppm1=9.071 ppm2=8.242
assign ( resid 46 and name H
)
( resid 45 and name H
) 3.7 0.7 0.7 volume=0.442 peak=806 ppm1=8.230 ppm2=9.074
assign ( resid 46 and name H
)
( resid 48 and name H
) 4.0 0.8 0.8 volume=0.274 peak=807 ppm1=8.230 ppm2=8.640
assign ( resid 217 and name H
)
( resid 215 and name H
or resid 218 and name H
) 3.4 0.7 0.7 volume=0.668 peak=808 ppm1=8.246 ppm2=7.967
assign ( resid 46 and name H
)
( resid 47 and name H
) 3.5 0.7 0.7 volume=0.635 peak=809 ppm1=8.229 ppm2=6.902
assign ( resid 46 and name H
)
( resid 42 and name HA2
or resid 43 and name HA
or resid 46 and name HA
) 3.2 0.6 0.6 volume=1.083 peak=810 ppm1=8.224 ppm2=3.653
assign ( resid 46 and name H
)
( resid 45 and name HA3
) 3.5 0.7 0.7 volume=0.540 peak=811 ppm1=8.227 ppm2=3.815
assign ( resid 46 and name H
)
( resid 46 and name HB
or resid 47 and name HB#
) 3.3 0.7 0.7 volume=1.222 peak=812 ppm1=8.227 ppm2=1.985
assign ( resid 216 and name H
)
( resid 214 and name HB3
or resid 214 and name HB2
) 4.1 0.8 0.8 volume=0.225 peak=813 ppm1=8.258 ppm2=2.836
assign ( resid 214 and name H
)
( resid 214 and name HB3
or resid 214 and name HB2
) 3.0 0.6 0.6 volume=1.430 peak=814 ppm1=8.406 ppm2=2.838
assign ( resid 46 and name H
)
( resid 46 and name HG2#
or resid 46 and name HD1#
) 3.3 0.7 0.7 volume=2.473 peak=815 ppm1=8.228 ppm2=0.931
assign ( resid 193 and name H
)
( resid 192 and name HG1#
or resid 192 and name HG2#
) 3.6 0.7 0.7 volume=1.411 peak=816 ppm1=8.210 ppm2=1.152
assign ( resid 47 and name H
)
( resid 45 and name H
) 4.3 0.9 0.9 volume=0.166 peak=817 ppm1=6.888 ppm2=9.068
assign ( resid 47 and name H
)
( resid 46 and name H
) 3.3 0.7 0.7 volume=0.799 peak=818 ppm1=6.898 ppm2=8.234
assign ( resid 47 and name H
)
( resid 48 and name H
) 3.4 0.7 0.7 volume=0.673 peak=819 ppm1=6.894 ppm2=8.650
assign ( resid 47 and name H
)
( resid 49 and name H
) 4.2 0.8 0.8 volume=0.203 peak=820 ppm1=6.890 ppm2=7.671
assign ( resid 47 and name H
)
( resid 44 and name HA
or resid 47 and name HA
) 3.2 0.6 0.6 volume=1.083 peak=821 ppm1=6.893 ppm2=4.631
assign ( resid 47 and name H
)
( resid 45 and name HA2
) 3.8 0.8 0.8 volume=0.333 peak=822 ppm1=6.900 ppm2=4.015
assign ( resid 47 and name H
)
( resid 45 and name HA3
) 4.2 0.8 0.8 volume=0.194 peak=823 ppm1=6.894 ppm2=3.788
assign ( resid 47 and name H
)
( resid 43 and name HA
or resid 46 and name HA
) 3.5 0.7 0.7 volume=0.611 peak=824 ppm1=6.897 ppm2=3.649
assign ( resid 47 and name H
)
( resid 46 and name HB
or resid 47 and name HB#
) 3.0 0.6 0.6 volume=2.260 peak=825 ppm1=6.897 ppm2=1.992
assign ( resid 47 and name H
)
( resid 46 and name HG12
or resid 48 and name HB#
or resid 79 and name HG2#
) 3.4 0.7 0.7 volume=1.282 peak=826 ppm1=6.897 ppm2=1.718
assign ( resid 47 and name H
)
( resid 49 and name HG1#
) 5.1 1.0 1.0 volume=0.191 peak=827 ppm1=6.911 ppm2=1.216
assign ( resid 47 and name H
)
( resid 46 and name HG2#
or resid 46 and name HD1#
) 3.6 0.7 0.7 volume=1.486 peak=828 ppm1=6.895 ppm2=0.937
assign ( resid 48 and name H
or resid 121 and name H
)
( resid 46 and name HG12
or resid 48 and name HB#
or resid 121 and name HG13
) 2.8 0.6 0.6 volume=2.968 peak=829 ppm1=8.650 ppm2=1.705
assign ( resid 121 and name H
)
( resid 121 and name HG12
) 3.9 0.8 0.8 volume=0.295 peak=830 ppm1=8.684 ppm2=1.848
assign ( resid 48 and name H
or resid 102 and name H
)
( resid 47 and name HB#
or resid 100 and name HB
) 3.1 0.6 0.6 volume=1.897 peak=831 ppm1=8.650 ppm2=2.001
assign ( resid 48 and name H
)
( resid 51 and name H
) 4.1 0.8 0.8 volume=0.211 peak=832 ppm1=8.654 ppm2=8.996
assign ( resid 48 and name H
)
( resid 45 and name H
) 4.1 0.8 0.8 volume=0.233 peak=833 ppm1=8.650 ppm2=9.059
assign ( resid 48 and name H
)
( resid 50 and name H
) 3.6 0.7 0.7 volume=0.495 peak=834 ppm1=8.649 ppm2=8.542
assign ( resid 48 and name H
or resid 102 and name H
)
( resid 46 and name H
or resid 105 and name H
) 3.8 0.8 0.8 volume=0.348 peak=835 ppm1=8.650 ppm2=8.245
assign ( resid 121 and name H
)
( resid 120 and name H
) 4.0 0.8 0.8 volume=0.265 peak=836 ppm1=8.687 ppm2=7.984
assign ( resid 48 and name H
)
( resid 49 and name H
) 3.4 0.7 0.7 volume=0.695 peak=837 ppm1=8.648 ppm2=7.690
assign ( resid 77 and name H
)
( resid 75 and name H
or resid 78 and name H
) 3.2 0.6 0.6 volume=1.086 peak=838 ppm1=8.474 ppm2=7.709
assign ( resid 48 and name H
)
( resid 47 and name H
) 3.3 0.7 0.7 volume=0.785 peak=839 ppm1=8.646 ppm2=6.901
assign ( resid 48 and name H
)
( resid 44 and name HA
or resid 47 and name HA
) 3.4 0.7 0.7 volume=0.748 peak=840 ppm1=8.649 ppm2=4.631
assign ( resid 121 and name H
)
( resid 120 and name HA3
) 3.4 0.7 0.7 volume=0.679 peak=841 ppm1=8.690 ppm2=4.552
assign ( resid 48 and name H
or resid 102 and name H
)
( resid 45 and name HA2
or resid 102 and name HA
) 3.2 0.6 0.6 volume=1.083 peak=842 ppm1=8.651 ppm2=4.018
assign ( resid 48 and name H
or resid 102 and name H
)
( resid 45 and name HA3
or resid 99 and name HA2
or resid 100 and name HA
or resid 101 and name HA
) 3.3 0.7 0.7 volume=0.870 peak=843 ppm1=8.648 ppm2=3.802
assign ( resid 48 and name H
)
( resid 46 and name HA
) 3.7 0.7 0.7 volume=0.445 peak=844 ppm1=8.650 ppm2=3.631
assign ( resid 102 and name H
)
( resid 98 and name HB2
) 4.0 0.8 0.8 volume=0.261 peak=845 ppm1=8.649 ppm2=3.193
assign ( resid 48 and name H
)
( resid 19 and name HG2#
or resid 50 and name HB#
) 4.1 0.8 0.8 volume=0.671 peak=846 ppm1=8.650 ppm2=1.447
assign ( resid 48 and name H
or resid 102 and name H
)
( resid 49 and name HG1#
or resid 103 and name HG2#
) 3.9 0.8 0.8 volume=0.988 peak=847 ppm1=8.655 ppm2=1.214
assign ( resid 102 and name H
)
( resid 84 and name HG2#
or resid 101 and name HG1#
or resid 101 and name HG2#
or resid 102 and name HD1#
or resid 102 and name HG2#
) 3.1 0.6 0.6 volume=3.525 peak=848 ppm1=8.651 ppm2=1.049
assign ( resid 102 and name H
)
( resid 100 and name HG2#
) 4.9 1.0 1.0 volume=0.244 peak=849 ppm1=8.648 ppm2=0.729
assign ( resid 65 and name H
)
( resid 63 and name HG1#
) 5.4 1.1 1.1 volume=0.131 peak=850 ppm1=8.591 ppm2=0.828
assign ( resid 49 and name H
)
( resid 51 and name H
) 3.9 0.8 0.8 volume=0.303 peak=851 ppm1=7.691 ppm2=8.981
assign ( resid 49 and name H
)
( resid 50 and name H
) 3.0 0.6 0.6 volume=1.445 peak=852 ppm1=7.685 ppm2=8.551
assign ( resid 49 and name H
)
( resid 48 and name H
) 3.3 0.7 0.7 volume=0.875 peak=853 ppm1=7.685 ppm2=8.640
assign ( resid 49 and name H
or resid 78 and name H
)
( resid 52 and name H
or resid 80 and name H
) 4.1 0.8 0.8 volume=0.241 peak=854 ppm1=7.680 ppm2=8.321
assign ( resid 49 and name H
)
( resid 47 and name H
) 4.1 0.8 0.8 volume=0.236 peak=855 ppm1=7.683 ppm2=6.916
assign ( resid 49 and name H
)
( resid 47 and name HA
) 3.9 0.8 0.8 volume=0.314 peak=856 ppm1=7.684 ppm2=4.631
assign ( resid 49 and name H
)
( resid 48 and name HA
) 3.5 0.7 0.7 volume=0.607 peak=857 ppm1=7.685 ppm2=4.236
assign ( resid 78 and name H
)
( resid 78 and name HA
) 3.2 0.6 0.6 volume=1.083 peak=858 ppm1=7.696 ppm2=4.537
assign ( resid 49 and name H
or resid 78 and name H
)
( resid 45 and name HA2
or resid 75 and name HA
) 3.9 0.8 0.8 volume=0.285 peak=859 ppm1=7.682 ppm2=3.978
assign ( resid 49 and name H
)
( resid 45 and name HA3
) 3.6 0.7 0.7 volume=0.514 peak=860 ppm1=7.685 ppm2=3.804
assign ( resid 49 and name H
or resid 78 and name H
)
( resid 46 and name HA
or resid 49 and name HA
or resid 77 and name HA
) 2.8 0.6 0.6 volume=2.322 peak=861 ppm1=7.684 ppm2=3.624
assign ( resid 49 and name H
)
( resid 49 and name HB
) 2.8 0.6 0.6 volume=2.340 peak=862 ppm1=7.685 ppm2=2.449
assign ( resid 78 and name H
)
( resid 78 and name HG
) 3.0 0.6 0.6 volume=1.420 peak=863 ppm1=7.697 ppm2=2.114
assign ( resid 78 and name H
)
( resid 78 and name HB2
) 2.9 0.6 0.6 volume=1.978 peak=864 ppm1=7.691 ppm2=1.469
assign ( resid 49 and name H
)
( resid 48 and name HB#
) 3.4 0.7 0.7 volume=2.082 peak=865 ppm1=7.686 ppm2=1.704
assign ( resid 205 and name H
)
( resid 204 and name HG2#
) 4.1 0.8 0.8 volume=0.647 peak=866 ppm1=7.698 ppm2=1.809
assign ( resid 49 and name H
)
( resid 49 and name HG1#
) 3.0 0.6 0.6 volume=4.063 peak=867 ppm1=7.685 ppm2=1.215
assign ( resid 78 and name H
)
( resid 46 and name HD1#
or resid 74 and name HG2#
or resid 77 and name HD1#
or resid 78 and name HD1#
or resid 78 and name HD2#
) 2.9 0.6 0.6 volume=4.908 peak=868 ppm1=7.696 ppm2=0.897
assign ( resid 49 and name H
or resid 78 and name H
)
( resid 49 and name HG2#
or resid 77 and name HG2#
) 3.1 0.6 0.6 volume=3.740 peak=869 ppm1=7.687 ppm2=0.983
assign ( resid 78 and name H
)
( resid 79 and name H
) 3.2 0.6 0.6 volume=0.921 peak=870 ppm1=7.693 ppm2=9.964
assign ( resid 50 and name H
)
( resid 51 and name H
) 3.4 0.7 0.7 volume=0.654 peak=871 ppm1=8.547 ppm2=8.969
assign ( resid 50 and name H
)
( resid 48 and name H
) 4.3 0.9 0.9 volume=0.161 peak=872 ppm1=8.556 ppm2=8.684
assign ( resid 50 and name H
)
( resid 49 and name H
) 3.2 0.6 0.6 volume=1.098 peak=873 ppm1=8.550 ppm2=7.696
assign ( resid 50 and name H
)
( resid 47 and name HA
) 3.7 0.7 0.7 volume=0.411 peak=874 ppm1=8.551 ppm2=4.631
assign ( resid 50 and name H
)
( resid 48 and name HA
) 4.4 0.9 0.9 volume=0.152 peak=875 ppm1=8.559 ppm2=4.256
assign ( resid 50 and name H
)
( resid 50 and name HA
) 3.2 0.6 0.6 volume=1.083 peak=876 ppm1=8.549 ppm2=3.807
assign ( resid 50 and name H
)
( resid 46 and name HA
or resid 49 and name HA
) 3.2 0.6 0.6 volume=1.006 peak=877 ppm1=8.541 ppm2=3.632
assign ( resid 50 and name H
)
( resid 49 and name HB
) 3.1 0.6 0.6 volume=1.297 peak=878 ppm1=8.550 ppm2=2.449
assign ( resid 50 and name H
)
( resid 46 and name HB
) 3.9 0.8 0.8 volume=0.329 peak=879 ppm1=8.551 ppm2=1.998
assign ( resid 50 and name H
)
( resid 48 and name HB#
) 4.3 0.9 0.9 volume=0.504 peak=880 ppm1=8.549 ppm2=1.708
assign ( resid 50 and name H
)
( resid 50 and name HB#
) 3.4 0.7 0.7 volume=2.194 peak=881 ppm1=8.550 ppm2=1.457
assign ( resid 50 and name H
)
( resid 49 and name HG1#
) 3.7 0.7 0.7 volume=1.354 peak=882 ppm1=8.550 ppm2=1.213
assign ( resid 50 and name H
)
( resid 49 and name HG2#
or resid 53 and name HG1#
) 3.5 0.7 0.7 volume=1.872 peak=883 ppm1=8.548 ppm2=0.985
assign ( resid 51 and name H
)
( resid 50 and name H
) 2.9 0.6 0.6 volume=1.696 peak=884 ppm1=8.961 ppm2=8.555
assign ( resid 51 and name H
)
( resid 52 and name H
) 3.0 0.6 0.6 volume=1.360 peak=885 ppm1=8.959 ppm2=8.321
assign ( resid 51 and name H
)
( resid 51 and name HE#
) 3.7 0.7 0.7 volume=0.776 peak=886 ppm1=8.960 ppm2=7.150
assign ( resid 51 and name H
)
( resid 47 and name HA
) 3.7 0.7 0.7 volume=0.435 peak=887 ppm1=8.951 ppm2=4.642
assign ( resid 51 and name H
)
( resid 12 and name HA
or resid 48 and name HA
) 3.1 0.6 0.6 volume=1.258 peak=888 ppm1=8.963 ppm2=4.248
assign ( resid 51 and name H
)
( resid 51 and name HA
) 3.2 0.6 0.6 volume=1.083 peak=889 ppm1=8.957 ppm2=3.889
assign ( resid 51 and name H
)
( resid 49 and name HA
) 3.2 0.6 0.6 volume=0.944 peak=890 ppm1=8.960 ppm2=3.625
assign ( resid 51 and name H
)
( resid 51 and name HB2
) 3.2 0.6 0.6 volume=1.007 peak=891 ppm1=8.958 ppm2=3.496
assign ( resid 51 and name H
)
( resid 51 and name HB3
) 3.1 0.6 0.6 volume=1.308 peak=892 ppm1=8.954 ppm2=2.961
assign ( resid 51 and name H
)
( resid 12 and name HB#
) 3.6 0.7 0.7 volume=1.372 peak=893 ppm1=8.958 ppm2=1.818
assign ( resid 51 and name H
)
( resid 50 and name HB#
) 3.3 0.7 0.7 volume=2.447 peak=894 ppm1=8.957 ppm2=1.458
assign ( resid 51 and name H
)
( resid 49 and name HG2#
or resid 53 and name HG1#
) 3.8 0.8 0.8 volume=1.070 peak=895 ppm1=8.959 ppm2=0.989
assign ( resid 51 and name H
)
( resid 52 and name HB#
) 3.7 0.7 0.7 volume=1.185 peak=896 ppm1=8.959 ppm2=1.608
assign ( resid 51 and name H
)
( resid 49 and name HG1#
or resid 54 and name HE#
) 3.9 0.8 0.8 volume=0.914 peak=897 ppm1=8.953 ppm2=1.255
assign ( resid 52 and name H
)
( resid 51 and name H
) 3.7 0.7 0.7 volume=0.448 peak=898 ppm1=8.316 ppm2=8.971
assign ( resid 52 and name H
)
( resid 50 and name H
) 4.0 0.8 0.8 volume=0.253 peak=899 ppm1=8.314 ppm2=8.557
assign ( resid 52 and name H
)
( resid 53 and name H
or resid 55 and name H
) 3.6 0.7 0.7 volume=0.508 peak=900 ppm1=8.315 ppm2=8.431
assign ( resid 52 and name H
)
( resid 49 and name H
or resid 54 and name H
) 4.0 0.8 0.8 volume=0.273 peak=901 ppm1=8.316 ppm2=7.703
assign ( resid 52 and name H
)
( resid 51 and name HD#
) 4.8 1.0 1.0 volume=0.177 peak=902 ppm1=8.314 ppm2=7.604
assign ( resid 52 and name H
)
( resid 8 and name HD#
) 5.0 1.0 1.0 volume=0.133 peak=903 ppm1=8.315 ppm2=7.139
assign ( resid 52 and name H
)
( resid 9 and name HZ3
) 4.9 1.0 1.0 volume=0.082 peak=904 ppm1=8.314 ppm2=6.937
assign ( resid 52 and name H
)
( resid 51 and name HA
) 4.2 0.8 0.8 volume=0.192 peak=905 ppm1=8.316 ppm2=3.896
assign ( resid 52 and name H
)
( resid 49 and name HA
or resid 52 and name HA
) 3.2 0.6 0.6 volume=1.083 peak=906 ppm1=8.315 ppm2=3.612
assign ( resid 52 and name H
)
( resid 51 and name HB3
) 4.1 0.8 0.8 volume=0.237 peak=907 ppm1=8.315 ppm2=2.974
assign ( resid 52 and name H
)
( resid 12 and name HB#
) 4.2 0.8 0.8 volume=0.599 peak=908 ppm1=8.315 ppm2=1.827
assign ( resid 52 and name H
)
( resid 52 and name HB#
) 3.5 0.7 0.7 volume=1.710 peak=909 ppm1=8.315 ppm2=1.606
assign ( resid 52 and name H
)
( resid 55 and name HB#
) 5.2 1.0 1.0 volume=0.155 peak=910 ppm1=8.318 ppm2=0.214
assign ( resid 53 and name H
)
( resid 55 and name HB#
) 5.2 1.0 1.0 volume=0.157 peak=911 ppm1=8.420 ppm2=0.199
assign ( resid 53 and name H
)
( resid 54 and name H
) 3.5 0.7 0.7 volume=0.635 peak=912 ppm1=8.421 ppm2=7.691
assign ( resid 180 and name H
)
( resid 181 and name H
) 3.1 0.6 0.6 volume=1.159 peak=913 ppm1=8.396 ppm2=8.064
assign ( resid 53 and name H
)
( resid 51 and name H
) 4.5 0.9 0.9 volume=0.136 peak=914 ppm1=8.423 ppm2=8.976
assign ( resid 53 and name H
)
( resid 50 and name H
) 4.5 0.9 0.9 volume=0.133 peak=915 ppm1=8.418 ppm2=8.561
assign ( resid 180 and name H
)
( resid 180 and name HA
) 3.2 0.6 0.6 volume=1.083 peak=916 ppm1=8.393 ppm2=4.637
assign ( resid 180 and name H
)
( resid 176 and name HA
) 3.6 0.7 0.7 volume=0.520 peak=917 ppm1=8.392 ppm2=4.420
assign ( resid 180 and name H
)
( resid 179 and name HA
or resid 181 and name HA3
or resid 181 and name HA2
) 3.2 0.6 0.6 volume=0.974 peak=918 ppm1=8.393 ppm2=4.217
assign ( resid 53 and name H
)
( resid 50 and name HA
) 3.5 0.7 0.7 volume=0.537 peak=919 ppm1=8.417 ppm2=3.821
assign ( resid 53 and name H
)
( resid 53 and name HA
) 3.2 0.6 0.6 volume=1.083 peak=920 ppm1=8.422 ppm2=3.672
assign ( resid 53 and name H
)
( resid 53 and name HB
) 3.1 0.6 0.6 volume=1.174 peak=921 ppm1=8.422 ppm2=2.319
assign ( resid 180 and name H
)
( resid 180 and name HG
) 2.9 0.6 0.6 volume=1.721 peak=922 ppm1=8.395 ppm2=2.197
assign ( resid 180 and name H
)
( resid 180 and name HB3
) 3.1 0.6 0.6 volume=1.267 peak=923 ppm1=8.404 ppm2=2.060
assign ( resid 180 and name H
)
( resid 179 and name HB2
or resid 179 and name HG
or resid 180 and name HB2
) 2.8 0.6 0.6 volume=2.021 peak=924 ppm1=8.405 ppm2=1.822
assign ( resid 53 and name H
)
( resid 52 and name HB#
) 3.6 0.7 0.7 volume=1.547 peak=925 ppm1=8.420 ppm2=1.607
assign ( resid 53 and name H
)
( resid 53 and name HG2#
) 3.4 0.7 0.7 volume=2.197 peak=926 ppm1=8.421 ppm2=1.141
assign ( resid 53 and name H
or resid 180 and name H
)
( resid 49 and name HG2#
or resid 53 and name HG1#
or resid 56 and name HD2#
or resid 180 and name HD2#
or resid 180 and name HD1#
or resid 188 and name HD1#
or resid 188 and name HD2#
) 3.3 0.7 0.7 volume=2.420 peak=927 ppm1=8.408 ppm2=1.005
assign ( resid 54 and name H
)
( resid 8 and name HD#
) 4.1 0.8 0.8 volume=0.421 peak=928 ppm1=7.687 ppm2=7.138
assign ( resid 54 and name H
)
( resid 54 and name HA
) 3.2 0.6 0.6 volume=1.083 peak=929 ppm1=7.681 ppm2=4.386
assign ( resid 54 and name H
)
( resid 51 and name HA
) 3.8 0.8 0.8 volume=0.373 peak=930 ppm1=7.681 ppm2=3.893
assign ( resid 54 and name H
)
( resid 53 and name HA
) 3.5 0.7 0.7 volume=0.622 peak=931 ppm1=7.676 ppm2=3.669
assign ( resid 55 and name H
)
( resid 54 and name H
) 3.1 0.6 0.6 volume=1.315 peak=932 ppm1=8.431 ppm2=7.702
assign ( resid 55 and name H
)
( resid 56 and name H
) 3.3 0.7 0.7 volume=0.861 peak=933 ppm1=8.431 ppm2=7.417
assign ( resid 55 and name H
)
( resid 8 and name HD#
) 3.6 0.7 0.7 volume=1.035 peak=934 ppm1=8.429 ppm2=7.140
assign ( resid 55 and name H
)
( resid 8 and name HE#
) 4.1 0.8 0.8 volume=0.454 peak=935 ppm1=8.428 ppm2=6.722
assign ( resid 55 and name H
)
( resid 54 and name HA
) 3.1 0.6 0.6 volume=1.186 peak=936 ppm1=8.428 ppm2=4.380
assign ( resid 55 and name H
)
( resid 55 and name HA
) 3.2 0.6 0.6 volume=1.083 peak=937 ppm1=8.433 ppm2=4.091
assign ( resid 55 and name H
)
( resid 51 and name HA
) 3.9 0.8 0.8 volume=0.296 peak=938 ppm1=8.427 ppm2=3.879
assign ( resid 55 and name H
)
( resid 52 and name HA
or resid 53 and name HA
) 3.0 0.6 0.6 volume=1.343 peak=939 ppm1=8.428 ppm2=3.641
assign ( resid 55 and name H
)
( resid 51 and name HB3
) 3.6 0.7 0.7 volume=0.508 peak=940 ppm1=8.426 ppm2=2.957
assign ( resid 55 and name H
)
( resid 52 and name HB#
) 4.2 0.8 0.8 volume=0.555 peak=941 ppm1=8.437 ppm2=1.600
assign ( resid 55 and name H
)
( resid 54 and name HE#
or resid 56 and name HD1#
) 3.8 0.8 0.8 volume=1.117 peak=942 ppm1=8.428 ppm2=1.296
assign ( resid 55 and name H
)
( resid 53 and name HG1#
) 4.0 0.8 0.8 volume=0.744 peak=943 ppm1=8.432 ppm2=0.986
assign ( resid 137 and name H
)
( resid 137 and name HD1#
or resid 137 and name HD2#
) 3.8 0.8 0.8 volume=1.065 peak=944 ppm1=8.507 ppm2=1.254
assign ( resid 137 and name H
)
( resid 104 and name HD2#
) 3.7 0.7 0.7 volume=1.224 peak=945 ppm1=8.502 ppm2=1.061
assign ( resid 137 and name H
)
( resid 104 and name HD1#
) 3.8 0.8 0.8 volume=0.989 peak=946 ppm1=8.509 ppm2=0.990
assign ( resid 55 and name H
)
( resid 55 and name HB#
) 3.2 0.6 0.6 volume=3.277 peak=947 ppm1=8.430 ppm2=0.205
assign ( resid 55 and name H
)
( resid 60 and name HE1
) 3.8 0.8 0.8 volume=0.338 peak=948 ppm1=8.416 ppm2=10.303
assign ( resid 60 and name H
)
( resid 60 and name HE1
) 4.2 0.8 0.8 volume=0.207 peak=949 ppm1=8.515 ppm2=10.286
assign ( resid 55 and name H
)
( resid 57 and name H
) 3.8 0.8 0.8 volume=0.380 peak=950 ppm1=8.437 ppm2=8.206
assign ( resid 56 and name H
)
( resid 53 and name H
or resid 55 and name H
) 3.5 0.7 0.7 volume=0.616 peak=951 ppm1=7.413 ppm2=8.440
assign ( resid 56 and name H
)
( resid 57 and name H
) 3.5 0.7 0.7 volume=0.539 peak=952 ppm1=7.414 ppm2=8.182
assign ( resid 56 and name H
)
( resid 58 and name H
) 3.9 0.8 0.8 volume=0.300 peak=953 ppm1=7.416 ppm2=7.747
assign ( resid 56 and name H
)
( resid 9 and name HH2
) 4.2 0.8 0.8 volume=0.209 peak=954 ppm1=7.415 ppm2=7.122
assign ( resid 56 and name H
)
( resid 54 and name HA
or resid 56 and name HA
) 3.2 0.6 0.6 volume=1.083 peak=955 ppm1=7.415 ppm2=4.414
assign ( resid 56 and name H
)
( resid 55 and name HA
) 4.4 0.9 0.9 volume=0.155 peak=956 ppm1=7.410 ppm2=4.089
assign ( resid 56 and name H
)
( resid 53 and name HA
) 3.5 0.7 0.7 volume=0.579 peak=957 ppm1=7.412 ppm2=3.684
assign ( resid 56 and name H
)
( resid 56 and name HG
) 3.2 0.6 0.6 volume=1.098 peak=958 ppm1=7.415 ppm2=2.174
assign ( resid 56 and name H
)
( resid 56 and name HB2
) 3.3 0.7 0.7 volume=0.893 peak=959 ppm1=7.415 ppm2=2.093
assign ( resid 56 and name H
)
( resid 56 and name HB3
) 3.2 0.6 0.6 volume=0.960 peak=960 ppm1=7.415 ppm2=1.854
assign ( resid 56 and name H
)
( resid 56 and name HD1#
) 3.6 0.7 0.7 volume=1.406 peak=961 ppm1=7.415 ppm2=1.306
assign ( resid 56 and name H
)
( resid 56 and name HD2#
) 3.6 0.7 0.7 volume=1.465 peak=962 ppm1=7.415 ppm2=1.062
assign ( resid 56 and name H
)
( resid 55 and name HB#
) 4.0 0.8 0.8 volume=0.737 peak=963 ppm1=7.415 ppm2=0.206
assign ( resid 57 and name H
)
( resid 58 and name H
or resid 60 and name HZ2
) 3.4 0.7 0.7 volume=0.669 peak=964 ppm1=8.173 ppm2=7.762
assign ( resid 57 and name H
)
( resid 56 and name H
) 3.6 0.7 0.7 volume=0.465 peak=965 ppm1=8.172 ppm2=7.426
assign ( resid 57 and name H
)
( resid 60 and name HD1
) 4.1 0.8 0.8 volume=0.230 peak=966 ppm1=8.178 ppm2=7.141
assign ( resid 57 and name H
)
( resid 60 and name HE1
) 4.0 0.8 0.8 volume=0.271 peak=967 ppm1=8.180 ppm2=10.290
assign ( resid 57 and name H
)
( resid 56 and name HD2#
) 4.8 1.0 1.0 volume=0.269 peak=968 ppm1=8.180 ppm2=1.045
assign ( resid 57 and name H
)
( resid 58 and name HG1#
or resid 58 and name HG2#
) 4.4 0.9 0.9 volume=0.471 peak=969 ppm1=8.172 ppm2=0.951
assign ( resid 57 and name H
)
( resid 56 and name HD1#
) 4.9 1.0 1.0 volume=0.234 peak=970 ppm1=8.175 ppm2=1.311
assign ( resid 57 and name H
)
( resid 56 and name HB3
) 4.0 0.8 0.8 volume=0.269 peak=971 ppm1=8.175 ppm2=1.882
assign ( resid 57 and name H
)
( resid 56 and name HB2
) 3.9 0.8 0.8 volume=0.289 peak=972 ppm1=8.177 ppm2=2.072
assign ( resid 57 and name H
)
( resid 57 and name HA2
or resid 57 and name HA3
) 3.2 0.6 0.6 volume=1.083 peak=973 ppm1=8.173 ppm2=3.765
assign ( resid 57 and name H
)
( resid 54 and name HA
or resid 56 and name HA
) 3.6 0.7 0.7 volume=0.508 peak=974 ppm1=8.173 ppm2=4.397
assign ( resid 57 and name H
)
( resid 55 and name H
) 4.6 0.9 0.9 volume=0.119 peak=975 ppm1=8.162 ppm2=8.452
assign ( resid 57 and name H
)
( resid 55 and name HB#
) 5.1 1.0 1.0 volume=0.176 peak=976 ppm1=8.176 ppm2=0.199
assign ( resid 60 and name H
)
( resid 60 and name HD1
) 3.0 0.6 0.6 volume=1.567 peak=977 ppm1=8.513 ppm2=7.158
assign ( resid 58 and name H
)
( resid 59 and name H
) 3.8 0.8 0.8 volume=0.354 peak=978 ppm1=7.759 ppm2=8.934
assign ( resid 58 and name H
)
( resid 56 and name H
) 3.8 0.8 0.8 volume=0.373 peak=979 ppm1=7.771 ppm2=7.430
assign ( resid 58 and name H
)
( resid 60 and name HD1
) 3.8 0.8 0.8 volume=0.330 peak=980 ppm1=7.766 ppm2=7.157
assign ( resid 58 and name H
)
( resid 57 and name H
) 3.1 0.6 0.6 volume=1.318 peak=981 ppm1=7.764 ppm2=8.180
assign ( resid 58 and name H
)
( resid 60 and name HE1
) 3.8 0.8 0.8 volume=0.366 peak=982 ppm1=7.776 ppm2=10.296
assign ( resid 58 and name H
)
( resid 54 and name HA
or resid 56 and name HA
) 3.3 0.7 0.7 volume=0.789 peak=983 ppm1=7.773 ppm2=4.391
assign ( resid 58 and name H
)
( resid 58 and name HA
) 3.2 0.6 0.6 volume=1.083 peak=984 ppm1=7.774 ppm2=4.003
assign ( resid 58 and name H
)
( resid 57 and name HA2
or resid 57 and name HA3
) 3.2 0.6 0.6 volume=1.041 peak=985 ppm1=7.770 ppm2=3.759
assign ( resid 58 and name H
)
( resid 53 and name HB
) 4.0 0.8 0.8 volume=0.278 peak=986 ppm1=7.774 ppm2=2.322
assign ( resid 58 and name H
)
( resid 56 and name HB2
or resid 58 and name HB
) 2.9 0.6 0.6 volume=1.973 peak=987 ppm1=7.769 ppm2=2.064
assign ( resid 58 and name H
)
( resid 56 and name HB3
) 3.7 0.7 0.7 volume=0.448 peak=988 ppm1=7.770 ppm2=1.857
assign ( resid 58 and name H
)
( resid 56 and name HD1#
) 4.6 0.9 0.9 volume=0.331 peak=989 ppm1=7.776 ppm2=1.305
assign ( resid 58 and name H
)
( resid 53 and name HG2#
or resid 56 and name HD2#
) 4.3 0.9 0.9 volume=0.492 peak=990 ppm1=7.768 ppm2=1.094
assign ( resid 58 and name H
)
( resid 58 and name HG1#
or resid 58 and name HG2#
) 3.0 0.6 0.6 volume=4.106 peak=991 ppm1=7.771 ppm2=0.956
assign ( resid 60 and name HE1
)
( resid 55 and name H
or resid 60 and name H
) 4.2 0.8 0.8 volume=0.199 peak=992 ppm1=10.291 ppm2=8.478
assign ( resid 60 and name HE1
)
( resid 57 and name H
) 3.8 0.8 0.8 volume=0.336 peak=993 ppm1=10.294 ppm2=8.181
assign ( resid 60 and name HE1
)
( resid 57 and name H
) 3.9 0.8 0.8 volume=0.311 peak=994 ppm1=10.260 ppm2=8.171
assign ( resid 60 and name HE1
)
( resid 58 and name H
or resid 60 and name HZ2
) 3.2 0.6 0.6 volume=1.021 peak=995 ppm1=10.283 ppm2=7.748
assign ( resid 60 and name HE1
)
( resid 8 and name HD#
or resid 60 and name HD1
) 3.1 0.6 0.6 volume=1.587 peak=996 ppm1=10.284 ppm2=7.160
assign ( resid 60 and name HE1
)
( resid 8 and name HE#
or resid 69 and name HD#
) 3.9 0.8 0.8 volume=0.619 peak=997 ppm1=10.284 ppm2=6.732
assign ( resid 60 and name HE1
)
( resid 54 and name HA
) 3.2 0.6 0.6 volume=0.988 peak=998 ppm1=10.285 ppm2=4.383
assign ( resid 60 and name HE1
)
( resid 57 and name HA2
or resid 57 and name HA3
) 3.5 0.7 0.7 volume=0.564 peak=999 ppm1=10.286 ppm2=3.764
assign ( resid 60 and name HE1
)
( resid 58 and name HG1#
or resid 58 and name HG2#
) 4.6 0.9 0.9 volume=0.350 peak=1000 ppm1=10.292 ppm2=0.945
assign ( resid 171 and name H
)
( resid 167 and name HG2#
) 4.8 1.0 1.0 volume=0.249 peak=1001 ppm1=9.866 ppm2=-0.142
assign ( resid 61 and name H
)
( resid 68 and name H
) 3.4 0.7 0.7 volume=0.684 peak=1002 ppm1=9.158 ppm2=9.302
assign ( resid 61 and name H
)
( resid 60 and name H
) 3.5 0.7 0.7 volume=0.612 peak=1003 ppm1=9.167 ppm2=8.525
assign ( resid 61 and name H
)
( resid 60 and name HD1
) 3.6 0.7 0.7 volume=0.462 peak=1004 ppm1=9.168 ppm2=7.162
assign ( resid 61 and name H
)
( resid 69 and name HD#
) 3.9 0.8 0.8 volume=0.602 peak=1005 ppm1=9.169 ppm2=6.748
assign ( resid 61 and name H
)
( resid 60 and name HA
) 2.7 0.5 0.5 volume=3.073 peak=1006 ppm1=9.163 ppm2=5.190
assign ( resid 61 and name H
)
( resid 61 and name HA
) 3.2 0.6 0.6 volume=1.083 peak=1007 ppm1=9.167 ppm2=4.793
assign ( resid 61 and name H
)
( resid 67 and name HA
) 3.6 0.7 0.7 volume=0.454 peak=1008 ppm1=9.161 ppm2=4.523
assign ( resid 61 and name H
)
( resid 59 and name HA2
or resid 59 and name HA3
or resid 60 and name HB2
) 3.4 0.7 0.7 volume=0.758 peak=1009 ppm1=9.158 ppm2=3.658
assign ( resid 61 and name H
)
( resid 60 and name HB3
) 3.3 0.7 0.7 volume=0.808 peak=1010 ppm1=9.166 ppm2=3.044
assign ( resid 61 and name H
)
( resid 61 and name HB
) 2.6 0.5 0.5 volume=3.131 peak=1011 ppm1=9.163 ppm2=2.204
assign ( resid 61 and name H
)
( resid 70 and name HG1#
) 3.7 0.7 0.7 volume=1.227 peak=1012 ppm1=9.162 ppm2=1.415
assign ( resid 61 and name H
)
( resid 61 and name HG1#
or resid 61 and name HG2#
or resid 68 and name HG2#
) 3.1 0.6 0.6 volume=3.731 peak=1013 ppm1=9.164 ppm2=1.087
assign ( resid 61 and name H
)
( resid 67 and name HG2#
) 3.4 0.7 0.7 volume=2.140 peak=1014 ppm1=9.162 ppm2=0.617
assign ( resid 63 and name H
)
( resid 68 and name H
) 3.7 0.7 0.7 volume=0.426 peak=1015 ppm1=8.624 ppm2=9.295
assign ( resid 63 and name H
)
( resid 64 and name H
) 3.6 0.7 0.7 volume=0.485 peak=1016 ppm1=8.623 ppm2=8.939
assign ( resid 63 and name H
)
( resid 62 and name HA
) 2.7 0.5 0.5 volume=2.709 peak=1017 ppm1=8.627 ppm2=5.131
assign ( resid 63 and name H
)
( resid 67 and name HA
) 3.1 0.6 0.6 volume=1.287 peak=1018 ppm1=8.627 ppm2=4.539
assign ( resid 63 and name H
)
( resid 63 and name HA
) 3.2 0.6 0.6 volume=1.083 peak=1019 ppm1=8.628 ppm2=4.064
assign ( resid 63 and name H
)
( resid 62 and name HB2
) 3.1 0.6 0.6 volume=1.320 peak=1020 ppm1=8.627 ppm2=2.371
assign ( resid 63 and name H
)
( resid 62 and name HB3
or resid 68 and name HB
) 3.1 0.6 0.6 volume=1.135 peak=1021 ppm1=8.628 ppm2=2.129
assign ( resid 63 and name H
)
( resid 63 and name HB
) 3.0 0.6 0.6 volume=1.568 peak=1022 ppm1=8.628 ppm2=1.894
assign ( resid 63 and name H
)
( resid 64 and name HB#
) 4.7 0.9 0.9 volume=0.297 peak=1023 ppm1=8.632 ppm2=1.645
assign ( resid 63 and name H
)
( resid 61 and name HG2#
or resid 63 and name HG2#
or resid 68 and name HG1#
or resid 68 and name HG2#
) 3.5 0.7 0.7 volume=1.839 peak=1024 ppm1=8.627 ppm2=1.050
assign ( resid 63 and name H
)
( resid 63 and name HG1#
) 4.0 0.8 0.8 volume=0.840 peak=1025 ppm1=8.629 ppm2=0.827
assign ( resid 63 and name H
)
( resid 67 and name HG2#
) 4.4 0.9 0.9 volume=0.447 peak=1026 ppm1=8.623 ppm2=0.625
assign ( resid 64 and name H
)
( resid 63 and name HA
or resid 64 and name HA
) 3.2 0.6 0.6 volume=1.083 peak=1027 ppm1=8.926 ppm2=4.039
assign ( resid 64 and name H
)
( resid 63 and name HB
) 4.5 0.9 0.9 volume=0.127 peak=1028 ppm1=8.925 ppm2=1.893
assign ( resid 64 and name H
)
( resid 64 and name HB#
) 4.3 0.9 0.9 volume=0.523 peak=1029 ppm1=8.926 ppm2=1.659
assign ( resid 64 and name H
)
( resid 63 and name HG2#
) 4.8 1.0 1.0 volume=0.265 peak=1030 ppm1=8.927 ppm2=1.055
assign ( resid 64 and name H
)
( resid 63 and name HG1#
) 4.7 0.9 0.9 volume=0.289 peak=1031 ppm1=8.926 ppm2=0.831
assign ( resid 65 and name H
)
( resid 64 and name H
) 4.0 0.8 0.8 volume=0.254 peak=1032 ppm1=8.591 ppm2=8.937
assign ( resid 65 and name H
)
( resid 66 and name HA
) 4.5 0.9 0.9 volume=0.130 peak=1033 ppm1=8.593 ppm2=4.967
assign ( resid 65 and name H
)
( resid 65 and name HA
) 3.2 0.6 0.6 volume=1.083 peak=1034 ppm1=8.590 ppm2=4.554
assign ( resid 65 and name H
)
( resid 64 and name HA
) 3.4 0.7 0.7 volume=0.657 peak=1035 ppm1=8.591 ppm2=4.018
assign ( resid 65 and name H
)
( resid 65 and name HB3
or resid 65 and name HB2
) 3.1 0.6 0.6 volume=1.168 peak=1036 ppm1=8.589 ppm2=2.433
assign ( resid 65 and name H
)
( resid 65 and name HG2
or resid 65 and name HG3
) 3.4 0.7 0.7 volume=0.675 peak=1037 ppm1=8.591 ppm2=2.223
assign ( resid 65 and name H
)
( resid 63 and name HB
) 4.0 0.8 0.8 volume=0.253 peak=1038 ppm1=8.591 ppm2=1.925
assign ( resid 65 and name H
)
( resid 64 and name HB#
) 3.4 0.7 0.7 volume=1.948 peak=1039 ppm1=8.591 ppm2=1.663
assign ( resid 111 and name H
)
( resid 110 and name H
) 3.7 0.7 0.7 volume=0.423 peak=1040 ppm1=8.683 ppm2=8.997
assign ( resid 86 and name H
or resid 111 and name H
)
( resid 84 and name H
or resid 112 and name H
) 3.9 0.8 0.8 volume=0.303 peak=1041 ppm1=8.685 ppm2=8.265
assign ( resid 66 and name H
or resid 111 and name H
)
( resid 67 and name H
or resid 113 and name H
) 3.5 0.7 0.7 volume=0.557 peak=1042 ppm1=8.691 ppm2=8.123
assign ( resid 86 and name H
)
( resid 85 and name HD#
) 3.8 0.8 0.8 volume=0.661 peak=1043 ppm1=8.703 ppm2=6.917
assign ( resid 66 and name H
)
( resid 66 and name HA
) 3.2 0.6 0.6 volume=1.083 peak=1044 ppm1=8.694 ppm2=4.967
assign ( resid 66 and name H
or resid 111 and name H
)
( resid 65 and name HA
or resid 109 and name HA
) 3.0 0.6 0.6 volume=1.351 peak=1045 ppm1=8.693 ppm2=4.553
assign ( resid 111 and name H
)
( resid 110 and name HA
) 3.8 0.8 0.8 volume=0.374 peak=1046 ppm1=8.684 ppm2=4.312
assign ( resid 66 and name H
or resid 111 and name H
)
( resid 64 and name HA
or resid 111 and name HA
) 3.2 0.6 0.6 volume=1.083 peak=1047 ppm1=8.687 ppm2=4.008
assign ( resid 86 and name H
or resid 111 and name H
)
( resid 86 and name HB2
or resid 107 and name HA
) 3.7 0.7 0.7 volume=0.450 peak=1048 ppm1=8.693 ppm2=3.539
assign ( resid 66 and name H
)
( resid 66 and name HD2
) 3.9 0.8 0.8 volume=0.291 peak=1049 ppm1=8.694 ppm2=3.219
assign ( resid 66 and name H
)
( resid 66 and name HD3
) 3.9 0.8 0.8 volume=0.307 peak=1050 ppm1=8.693 ppm2=3.143
assign ( resid 66 and name H
)
( resid 65 and name HG2
or resid 65 and name HG3
) 3.4 0.7 0.7 volume=0.638 peak=1051 ppm1=8.691 ppm2=2.220
assign ( resid 66 and name H
or resid 86 and name H
)
( resid 65 and name HB3
or resid 65 and name HB2
or resid 86 and name HB3
) 2.9 0.6 0.6 volume=1.783 peak=1052 ppm1=8.693 ppm2=2.433
assign ( resid 66 and name H
or resid 111 and name H
)
( resid 63 and name HB
or resid 110 and name HB2
) 2.8 0.6 0.6 volume=2.059 peak=1053 ppm1=8.693 ppm2=1.930
assign ( resid 111 and name H
)
( resid 110 and name HB3
or resid 111 and name HB#
) 3.1 0.6 0.6 volume=1.960 peak=1054 ppm1=8.684 ppm2=1.597
assign ( resid 111 and name H
)
( resid 110 and name HD1#
or resid 110 and name HD2#
) 3.8 0.8 0.8 volume=1.033 peak=1055 ppm1=8.686 ppm2=0.987
assign ( resid 66 and name H
or resid 86 and name H
)
( resid 43 and name HD1#
or resid 63 and name HG1#
or resid 83 and name HG2#
) 4.0 0.8 0.8 volume=0.833 peak=1056 ppm1=8.694 ppm2=0.854
assign ( resid 111 and name H
)
( resid 109 and name H
) 4.9 1.0 1.0 volume=0.079 peak=1057 ppm1=8.682 ppm2=7.582
assign ( resid 67 and name H
)
( resid 68 and name H
) 4.0 0.8 0.8 volume=0.265 peak=1058 ppm1=8.117 ppm2=9.297
assign ( resid 67 and name H
)
( resid 66 and name H
) 3.4 0.7 0.7 volume=0.672 peak=1059 ppm1=8.118 ppm2=8.689
assign ( resid 67 and name H
)
( resid 62 and name HA
) 3.9 0.8 0.8 volume=0.293 peak=1060 ppm1=8.120 ppm2=5.131
assign ( resid 67 and name H
)
( resid 66 and name HA
) 2.6 0.5 0.5 volume=3.804 peak=1061 ppm1=8.119 ppm2=4.966
assign ( resid 67 and name H
)
( resid 67 and name HB
) 2.8 0.6 0.6 volume=2.312 peak=1062 ppm1=8.119 ppm2=3.566
assign ( resid 67 and name H
)
( resid 66 and name HD2
) 3.9 0.8 0.8 volume=0.329 peak=1063 ppm1=8.121 ppm2=3.226
assign ( resid 67 and name H
)
( resid 66 and name HD3
) 3.9 0.8 0.8 volume=0.326 peak=1064 ppm1=8.121 ppm2=3.130
assign ( resid 222 and name H
)
( resid 223 and name HB2
) 4.8 1.0 1.0 volume=0.093 peak=1065 ppm1=8.111 ppm2=3.388
assign ( resid 76 and name H
)
( resid 75 and name HB3
) 3.0 0.6 0.6 volume=1.441 peak=1066 ppm1=8.120 ppm2=3.219
assign ( resid 76 and name H
)
( resid 74 and name HA
) 3.0 0.6 0.6 volume=1.545 peak=1067 ppm1=8.118 ppm2=3.530
assign ( resid 234 and name H
)
( resid 233 and name HB3
or resid 233 and name HB2
) 4.1 0.8 0.8 volume=0.240 peak=1068 ppm1=8.117 ppm2=2.868
assign ( resid 222 and name H
)
( resid 222 and name HG2
) 3.5 0.7 0.7 volume=0.585 peak=1069 ppm1=8.114 ppm2=2.494
assign ( resid 222 and name H
)
( resid 222 and name HG3
) 3.8 0.8 0.8 volume=0.374 peak=1070 ppm1=8.114 ppm2=2.369
assign ( resid 222 and name H
)
( resid 222 and name HB3
or resid 222 and name HB2
) 2.8 0.6 0.6 volume=2.027 peak=1071 ppm1=8.114 ppm2=2.166
assign ( resid 222 and name H
)
( resid 219 and name HB3
or resid 221 and name HB#
) 3.4 0.7 0.7 volume=1.011 peak=1072 ppm1=8.114 ppm2=1.648
assign ( resid 67 and name H
)
( resid 67 and name HG2#
) 3.7 0.7 0.7 volume=1.218 peak=1073 ppm1=8.121 ppm2=0.619
assign ( resid 68 and name H
)
( resid 63 and name H
) 3.7 0.7 0.7 volume=0.421 peak=1074 ppm1=9.295 ppm2=8.639
assign ( resid 68 and name H
)
( resid 67 and name H
or resid 69 and name H
) 3.4 0.7 0.7 volume=0.745 peak=1075 ppm1=9.293 ppm2=8.122
assign ( resid 68 and name H
)
( resid 60 and name HA
or resid 62 and name HA
or resid 69 and name HA
) 3.2 0.6 0.6 volume=1.009 peak=1076 ppm1=9.294 ppm2=5.136
assign ( resid 68 and name H
)
( resid 67 and name HA
) 2.7 0.5 0.5 volume=2.525 peak=1077 ppm1=9.293 ppm2=4.539
assign ( resid 68 and name H
)
( resid 68 and name HA
) 3.2 0.6 0.6 volume=1.083 peak=1078 ppm1=9.289 ppm2=4.054
assign ( resid 68 and name H
)
( resid 67 and name HB
) 3.7 0.7 0.7 volume=0.446 peak=1079 ppm1=9.300 ppm2=3.576
assign ( resid 68 and name H
)
( resid 68 and name HB
) 2.9 0.6 0.6 volume=1.812 peak=1080 ppm1=9.291 ppm2=2.172
assign ( resid 68 and name H
)
( resid 61 and name HG2#
or resid 63 and name HG2#
or resid 68 and name HG1#
or resid 68 and name HG2#
) 3.3 0.7 0.7 volume=2.571 peak=1081 ppm1=9.292 ppm2=1.024
assign ( resid 68 and name H
)
( resid 67 and name HG2#
) 3.5 0.7 0.7 volume=1.845 peak=1082 ppm1=9.293 ppm2=0.615
assign ( resid 69 and name H
)
( resid 69 and name HD#
) 3.2 0.6 0.6 volume=1.824 peak=1083 ppm1=8.119 ppm2=6.742
assign ( resid 69 and name H
)
( resid 69 and name HE#
) 3.6 0.7 0.7 volume=1.007 peak=1084 ppm1=8.120 ppm2=6.352
assign ( resid 69 and name H
)
( resid 69 and name HA
) 3.2 0.6 0.6 volume=1.083 peak=1085 ppm1=8.120 ppm2=5.116
assign ( resid 69 and name H
)
( resid 68 and name HA
) 2.5 0.5 0.5 volume=4.061 peak=1086 ppm1=8.121 ppm2=4.051
assign ( resid 69 and name H
)
( resid 69 and name HB3
) 3.3 0.7 0.7 volume=0.891 peak=1087 ppm1=8.118 ppm2=3.230
assign ( resid 69 and name H
)
( resid 69 and name HB2
) 3.2 0.6 0.6 volume=1.049 peak=1088 ppm1=8.115 ppm2=2.783
assign ( resid 69 and name H
)
( resid 68 and name HB
) 3.2 0.6 0.6 volume=0.988 peak=1089 ppm1=8.122 ppm2=2.178
assign ( resid 69 and name H
)
( resid 68 and name HG1#
or resid 68 and name HG2#
) 3.2 0.6 0.6 volume=2.736 peak=1090 ppm1=8.121 ppm2=1.037
assign ( resid 70 and name H
)
( resid 69 and name HD#
) 4.1 0.8 0.8 volume=0.426 peak=1091 ppm1=8.754 ppm2=6.748
assign ( resid 70 and name H
)
( resid 60 and name HA
or resid 69 and name HA
) 3.4 0.7 0.7 volume=0.678 peak=1092 ppm1=8.753 ppm2=5.116
assign ( resid 70 and name H
)
( resid 70 and name HB
) 3.5 0.7 0.7 volume=0.590 peak=1093 ppm1=8.747 ppm2=2.543
assign ( resid 70 and name H
)
( resid 70 and name HG1#
) 3.8 0.8 0.8 volume=1.069 peak=1094 ppm1=8.750 ppm2=1.414
assign ( resid 131 and name H
)
( resid 132 and name HG2#
) 3.8 0.8 0.8 volume=0.997 peak=1095 ppm1=8.728 ppm2=1.022
assign ( resid 131 and name H
)
( resid 128 and name HA2
) 3.2 0.6 0.6 volume=0.939 peak=1096 ppm1=8.727 ppm2=3.740
assign ( resid 131 and name H
)
( resid 131 and name HA
) 3.2 0.6 0.6 volume=1.083 peak=1097 ppm1=8.727 ppm2=4.044
assign ( resid 131 and name H
)
( resid 129 and name H
or resid 130 and name H
or resid 132 and name H
) 2.8 0.6 0.6 volume=2.284 peak=1098 ppm1=8.727 ppm2=8.083
assign ( resid 72 and name H
)
( resid 75 and name H
) 3.7 0.7 0.7 volume=0.409 peak=1099 ppm1=6.547 ppm2=7.728
assign ( resid 72 and name H
)
( resid 73 and name HD#
) 4.3 0.9 0.9 volume=0.363 peak=1100 ppm1=6.558 ppm2=7.082
assign ( resid 72 and name H
)
( resid 73 and name H
) 3.4 0.7 0.7 volume=0.646 peak=1101 ppm1=6.548 ppm2=6.372
assign ( resid 72 and name H
)
( resid 72 and name HA
) 3.2 0.6 0.6 volume=1.083 peak=1102 ppm1=6.547 ppm2=3.767
assign ( resid 72 and name H
)
( resid 69 and name HB3
) 3.8 0.8 0.8 volume=0.341 peak=1103 ppm1=6.550 ppm2=3.237
assign ( resid 72 and name H
)
( resid 69 and name HB2
) 3.5 0.7 0.7 volume=0.576 peak=1104 ppm1=6.544 ppm2=2.751
assign ( resid 72 and name H
)
( resid 70 and name HB
) 3.8 0.8 0.8 volume=0.338 peak=1105 ppm1=6.546 ppm2=2.535
assign ( resid 72 and name H
)
( resid 72 and name HG3
or resid 72 and name HG2
) 3.5 0.7 0.7 volume=0.612 peak=1106 ppm1=6.548 ppm2=1.838
assign ( resid 72 and name H
)
( resid 50 and name HB#
or resid 70 and name HG1#
) 3.6 0.7 0.7 volume=1.568 peak=1107 ppm1=6.552 ppm2=1.443
assign ( resid 72 and name H
)
( resid 54 and name HE#
) 4.1 0.8 0.8 volume=0.664 peak=1108 ppm1=6.549 ppm2=1.261
assign ( resid 72 and name H
)
( resid 70 and name HG2#
) 4.0 0.8 0.8 volume=0.734 peak=1109 ppm1=6.556 ppm2=1.153
assign ( resid 73 and name H
)
( resid 70 and name HA
or resid 73 and name HA
) 3.2 0.6 0.6 volume=1.083 peak=1110 ppm1=6.360 ppm2=3.967
assign ( resid 73 and name H
)
( resid 72 and name HA
) 3.0 0.6 0.6 volume=1.417 peak=1111 ppm1=6.367 ppm2=3.770
assign ( resid 73 and name H
)
( resid 69 and name HB3
) 3.3 0.7 0.7 volume=0.781 peak=1112 ppm1=6.353 ppm2=3.231
assign ( resid 73 and name H
)
( resid 73 and name HB3
) 3.0 0.6 0.6 volume=1.624 peak=1113 ppm1=6.364 ppm2=2.498
assign ( resid 73 and name H
)
( resid 72 and name HG3
or resid 72 and name HG2
or resid 74 and name HB
) 2.6 0.5 0.5 volume=3.230 peak=1114 ppm1=6.365 ppm2=1.827
assign ( resid 73 and name H
)
( resid 70 and name HG1#
or resid 74 and name HG13
) 2.8 0.6 0.6 volume=3.322 peak=1115 ppm1=6.362 ppm2=1.439
assign ( resid 73 and name H
)
( resid 70 and name HG2#
or resid 74 and name HG12
) 3.1 0.6 0.6 volume=1.864 peak=1116 ppm1=6.364 ppm2=1.183
assign ( resid 73 and name H
)
( resid 72 and name H
) 3.0 0.6 0.6 volume=1.368 peak=1117 ppm1=6.360 ppm2=6.561
assign ( resid 73 and name H
)
( resid 73 and name HE#
) 3.4 0.7 0.7 volume=1.396 peak=1118 ppm1=6.355 ppm2=6.838
assign ( resid 73 and name H
)
( resid 74 and name H
or resid 113 and name HE#
) 3.0 0.6 0.6 volume=1.938 peak=1119 ppm1=6.360 ppm2=7.203
assign ( resid 73 and name H
)
( resid 73 and name HD#
or resid 113 and name HD#
) 2.8 0.6 0.6 volume=4.446 peak=1120 ppm1=6.362 ppm2=7.074
assign ( resid 73 and name H
)
( resid 75 and name H
) 3.0 0.6 0.6 volume=1.409 peak=1121 ppm1=6.360 ppm2=7.747
assign ( resid 74 and name H
)
( resid 74 and name HD1#
) 3.9 0.8 0.8 volume=0.894 peak=1122 ppm1=7.202 ppm2=0.713
assign ( resid 74 and name H
)
( resid 74 and name HG2#
or resid 77 and name HD1#
) 3.6 0.7 0.7 volume=1.532 peak=1123 ppm1=7.201 ppm2=0.883
assign ( resid 74 and name H
)
( resid 74 and name HG12
) 3.2 0.6 0.6 volume=0.936 peak=1124 ppm1=7.203 ppm2=1.215
assign ( resid 74 and name H
)
( resid 70 and name HG1#
or resid 74 and name HG13
) 3.2 0.6 0.6 volume=1.411 peak=1125 ppm1=7.202 ppm2=1.447
assign ( resid 74 and name H
)
( resid 74 and name HB
) 3.0 0.6 0.6 volume=1.393 peak=1126 ppm1=7.202 ppm2=1.832
assign ( resid 74 and name H
)
( resid 73 and name HB3
or resid 75 and name HB2
) 3.7 0.7 0.7 volume=0.432 peak=1127 ppm1=7.215 ppm2=2.496
assign ( resid 74 and name H
)
( resid 73 and name HB2
or resid 74 and name HA
) 3.2 0.6 0.6 volume=1.083 peak=1128 ppm1=7.203 ppm2=3.529
assign ( resid 74 and name H
)
( resid 73 and name H
) 3.7 0.7 0.7 volume=0.427 peak=1129 ppm1=7.202 ppm2=6.380
assign ( resid 74 and name H
)
( resid 73 and name HD#
or resid 113 and name HD#
) 3.9 0.8 0.8 volume=0.581 peak=1130 ppm1=7.203 ppm2=7.066
assign ( resid 74 and name H
)
( resid 75 and name H
) 3.5 0.7 0.7 volume=0.601 peak=1131 ppm1=7.208 ppm2=7.754
assign ( resid 74 and name H
)
( resid 76 and name H
) 4.1 0.8 0.8 volume=0.240 peak=1132 ppm1=7.190 ppm2=8.115
assign ( resid 126 and name H
)
( resid 126 and name HD1#
or resid 126 and name HD2#
) 3.3 0.7 0.7 volume=2.643 peak=1133 ppm1=7.220 ppm2=1.005
assign ( resid 75 and name H
)
( resid 76 and name H
) 3.5 0.7 0.7 volume=0.547 peak=1134 ppm1=7.751 ppm2=8.120
assign ( resid 75 and name H
)
( resid 74 and name H
) 3.6 0.7 0.7 volume=0.469 peak=1135 ppm1=7.753 ppm2=7.206
assign ( resid 75 and name H
)
( resid 76 and name HD1
) 4.1 0.8 0.8 volume=0.220 peak=1136 ppm1=7.745 ppm2=7.069
assign ( resid 75 and name H
)
( resid 73 and name HA
or resid 75 and name HA
) 3.3 0.7 0.7 volume=0.866 peak=1137 ppm1=7.753 ppm2=3.967
assign ( resid 75 and name H
)
( resid 72 and name HA
) 4.0 0.8 0.8 volume=0.274 peak=1138 ppm1=7.746 ppm2=3.772
assign ( resid 75 and name H
)
( resid 74 and name HA
) 3.6 0.7 0.7 volume=0.486 peak=1139 ppm1=7.750 ppm2=3.536
assign ( resid 75 and name H
)
( resid 75 and name HB3
) 3.4 0.7 0.7 volume=0.702 peak=1140 ppm1=7.752 ppm2=3.212
assign ( resid 75 and name H
)
( resid 75 and name HB2
) 3.3 0.7 0.7 volume=0.777 peak=1141 ppm1=7.754 ppm2=2.499
assign ( resid 75 and name H
)
( resid 74 and name HB
) 3.3 0.7 0.7 volume=0.767 peak=1142 ppm1=7.753 ppm2=1.832
assign ( resid 75 and name H
)
( resid 74 and name HG2#
or resid 78 and name HD1#
or resid 78 and name HD2#
) 3.8 0.8 0.8 volume=1.145 peak=1143 ppm1=7.752 ppm2=0.891
assign ( resid 108 and name H
)
( resid 108 and name HG1#
) 3.8 0.8 0.8 volume=1.128 peak=1144 ppm1=7.766 ppm2=0.759
assign ( resid 108 and name H
)
( resid 104 and name HD1#
or resid 107 and name HG1#
) 3.5 0.7 0.7 volume=1.723 peak=1145 ppm1=7.765 ppm2=0.942
assign ( resid 172 and name H
)
( resid 168 and name HG1#
or resid 168 and name HG2#
) 3.9 0.8 0.8 volume=0.903 peak=1146 ppm1=7.741 ppm2=1.030
assign ( resid 108 and name H
)
( resid 108 and name HG2#
) 3.2 0.6 0.6 volume=2.976 peak=1147 ppm1=7.765 ppm2=1.505
assign ( resid 108 and name H
)
( resid 133 and name HB#
) 3.6 0.7 0.7 volume=1.467 peak=1148 ppm1=7.766 ppm2=1.660
assign ( resid 76 and name H
)
( resid 77 and name H
) 3.6 0.7 0.7 volume=0.532 peak=1149 ppm1=8.112 ppm2=8.484
assign ( resid 148 and name H
)
( resid 146 and name H
) 3.5 0.7 0.7 volume=0.570 peak=1150 ppm1=8.089 ppm2=7.097
assign ( resid 76 and name H
)
( resid 76 and name HD1
) 3.1 0.6 0.6 volume=1.199 peak=1151 ppm1=8.113 ppm2=7.069
assign ( resid 76 and name H
)
( resid 75 and name H
or resid 78 and name H
) 3.1 0.6 0.6 volume=1.213 peak=1152 ppm1=8.122 ppm2=7.745
assign ( resid 76 and name H
)
( resid 76 and name HA
) 3.2 0.6 0.6 volume=1.083 peak=1153 ppm1=8.120 ppm2=4.428
assign ( resid 76 and name H
)
( resid 72 and name HA
) 3.4 0.7 0.7 volume=0.641 peak=1154 ppm1=8.121 ppm2=3.776
assign ( resid 148 and name H
)
( resid 147 and name HA
or resid 148 and name HA
) 2.5 0.5 0.5 volume=4.044 peak=1155 ppm1=8.082 ppm2=4.261
assign ( resid 148 and name H
)
( resid 146 and name HA
) 3.0 0.6 0.6 volume=1.410 peak=1156 ppm1=8.082 ppm2=4.080
assign ( resid 148 and name H
)
( resid 145 and name HA
) 2.7 0.5 0.5 volume=2.762 peak=1157 ppm1=8.082 ppm2=3.864
assign ( resid 105 and name H
)
( resid 101 and name HA
) 3.8 0.8 0.8 volume=0.349 peak=1158 ppm1=8.217 ppm2=3.783
assign ( resid 76 and name H
)
( resid 75 and name HB2
) 3.2 0.6 0.6 volume=0.917 peak=1159 ppm1=8.119 ppm2=2.500
assign ( resid 76 and name H
)
( resid 75 and name HB2
) 3.3 0.7 0.7 volume=0.834 peak=1160 ppm1=8.100 ppm2=2.510
assign ( resid 148 and name H
)
( resid 147 and name HB3
or resid 147 and name HB2
) 2.6 0.5 0.5 volume=3.376 peak=1161 ppm1=8.083 ppm2=2.167
assign ( resid 148 and name H
)
( resid 147 and name HG2
or resid 147 and name HG3
) 3.1 0.6 0.6 volume=1.107 peak=1162 ppm1=8.080 ppm2=2.335
assign ( resid 76 and name H
)
( resid 77 and name HG13
or resid 77 and name HB
) 3.6 0.7 0.7 volume=0.464 peak=1163 ppm1=8.118 ppm2=2.053
assign ( resid 148 and name H
)
( resid 91 and name HB#
) 4.2 0.8 0.8 volume=0.573 peak=1164 ppm1=8.084 ppm2=1.224
assign ( resid 76 and name H
)
( resid 77 and name HG12
) 3.5 0.7 0.7 volume=0.616 peak=1165 ppm1=8.118 ppm2=1.113
assign ( resid 188 and name H
)
( resid 188 and name HD1#
or resid 188 and name HD2#
) 3.1 0.6 0.6 volume=3.607 peak=1166 ppm1=8.019 ppm2=0.990
assign ( resid 105 and name H
)
( resid 103 and name HG2#
or resid 137 and name HD1#
or resid 137 and name HD2#
) 3.8 0.8 0.8 volume=1.052 peak=1167 ppm1=8.217 ppm2=1.244
assign ( resid 148 and name H
)
( resid 149 and name HB#
) 3.8 0.8 0.8 volume=1.012 peak=1168 ppm1=8.080 ppm2=1.105
assign ( resid 105 and name H
)
( resid 84 and name HG2#
or resid 102 and name HG2#
or resid 104 and name HD2#
) 3.6 0.7 0.7 volume=1.531 peak=1169 ppm1=8.216 ppm2=1.066
assign ( resid 148 and name H
)
( resid 93 and name HD1#
or resid 93 and name HD2#
) 4.4 0.9 0.9 volume=0.454 peak=1170 ppm1=8.081 ppm2=0.787
assign ( resid 202 and name H
)
( resid 198 and name HG1#
or resid 202 and name HD1#
) 3.7 0.7 0.7 volume=1.343 peak=1171 ppm1=8.490 ppm2=0.893
assign ( resid 211 and name H
)
( resid 211 and name HG12
) 3.3 0.7 0.7 volume=0.841 peak=1172 ppm1=8.483 ppm2=1.255
assign ( resid 77 and name H
)
( resid 78 and name HB2
) 3.5 0.7 0.7 volume=0.567 peak=1173 ppm1=8.468 ppm2=1.461
assign ( resid 77 and name H
)
( resid 77 and name HG13
or resid 77 and name HB
) 2.6 0.5 0.5 volume=3.165 peak=1174 ppm1=8.474 ppm2=2.055
assign ( resid 202 and name H
)
( resid 15 and name HE#
or resid 202 and name HB2
or resid 202 and name HG
) 3.2 0.6 0.6 volume=1.193 peak=1175 ppm1=8.492 ppm2=2.175
assign ( resid 211 and name H
)
( resid 211 and name HG13
) 3.3 0.7 0.7 volume=0.794 peak=1176 ppm1=8.485 ppm2=1.984
assign ( resid 202 and name H
)
( resid 201 and name HB2
) 3.8 0.8 0.8 volume=0.349 peak=1177 ppm1=8.492 ppm2=2.644
assign ( resid 77 and name H
)
( resid 75 and name HB3
) 3.5 0.7 0.7 volume=0.576 peak=1178 ppm1=8.477 ppm2=3.218
assign ( resid 202 and name H
)
( resid 201 and name HB3
) 3.8 0.8 0.8 volume=0.339 peak=1179 ppm1=8.487 ppm2=3.242
assign ( resid 77 and name H
)
( resid 77 and name HA
) 3.2 0.6 0.6 volume=1.083 peak=1180 ppm1=8.474 ppm2=3.658
assign ( resid 77 and name H
)
( resid 73 and name HB2
or resid 74 and name HA
) 3.0 0.6 0.6 volume=1.401 peak=1181 ppm1=8.473 ppm2=3.527
assign ( resid 77 and name H
)
( resid 76 and name HD1
) 3.6 0.7 0.7 volume=0.475 peak=1182 ppm1=8.476 ppm2=7.067
assign ( resid 77 and name H
)
( resid 76 and name H
) 3.8 0.8 0.8 volume=0.338 peak=1183 ppm1=8.456 ppm2=8.147
assign ( resid 78 and name H
)
( resid 76 and name HA
) 3.9 0.8 0.8 volume=0.329 peak=1184 ppm1=7.696 ppm2=4.388
assign ( resid 176 and name H
)
( resid 177 and name HB
) 3.3 0.7 0.7 volume=0.832 peak=1185 ppm1=7.548 ppm2=2.216
assign ( resid 39 and name H
or resid 172 and name H
)
( resid 38 and name HB
or resid 173 and name HG13
) 3.2 0.6 0.6 volume=1.078 peak=1186 ppm1=7.730 ppm2=2.307
assign ( resid 79 and name H
)
( resid 80 and name H
) 3.3 0.7 0.7 volume=0.910 peak=1187 ppm1=9.950 ppm2=8.333
assign ( resid 79 and name H
)
( resid 78 and name H
) 3.0 0.6 0.6 volume=1.476 peak=1188 ppm1=9.965 ppm2=7.701
assign ( resid 79 and name H
)
( resid 78 and name HA
) 3.2 0.6 0.6 volume=0.965 peak=1189 ppm1=9.960 ppm2=4.539
assign ( resid 79 and name H
)
( resid 76 and name HA
or resid 79 and name HA
) 3.2 0.6 0.6 volume=1.083 peak=1190 ppm1=9.951 ppm2=4.396
assign ( resid 79 and name H
)
( resid 75 and name HA
) 3.4 0.7 0.7 volume=0.654 peak=1191 ppm1=9.965 ppm2=3.958
assign ( resid 79 and name H
)
( resid 75 and name HA
) 3.6 0.7 0.7 volume=0.504 peak=1192 ppm1=9.943 ppm2=3.932
assign ( resid 79 and name H
)
( resid 81 and name HD3
or resid 81 and name HD2
) 3.5 0.7 0.7 volume=0.564 peak=1193 ppm1=9.952 ppm2=3.677
assign ( resid 79 and name H
)
( resid 78 and name HB3
or resid 82 and name HG
) 3.4 0.7 0.7 volume=0.730 peak=1194 ppm1=9.961 ppm2=2.320
assign ( resid 79 and name H
)
( resid 78 and name HB3
or resid 82 and name HG
) 3.3 0.7 0.7 volume=0.833 peak=1195 ppm1=9.941 ppm2=2.270
assign ( resid 79 and name H
)
( resid 46 and name HG13
) 3.4 0.7 0.7 volume=0.741 peak=1196 ppm1=9.962 ppm2=2.037
assign ( resid 79 and name H
)
( resid 46 and name HG12
or resid 79 and name HG2#
) 3.2 0.6 0.6 volume=1.458 peak=1197 ppm1=9.956 ppm2=1.725
assign ( resid 79 and name H
)
( resid 46 and name HD1#
or resid 78 and name HD1#
or resid 78 and name HD2#
) 3.2 0.6 0.6 volume=3.067 peak=1198 ppm1=9.958 ppm2=0.897
assign ( resid 79 and name H
)
( resid 78 and name HB2
) 3.6 0.7 0.7 volume=0.502 peak=1199 ppm1=9.943 ppm2=1.480
assign ( resid 79 and name H
)
( resid 80 and name HG2#
) 4.2 0.8 0.8 volume=0.611 peak=1200 ppm1=9.950 ppm2=0.457
assign ( resid 80 and name H
)
( resid 80 and name HG2#
) 3.6 0.7 0.7 volume=1.584 peak=1201 ppm1=8.331 ppm2=0.459
assign ( resid 80 and name H
)
( resid 109 and name HE#
) 3.9 0.8 0.8 volume=0.858 peak=1202 ppm1=8.329 ppm2=1.472
assign ( resid 80 and name H
)
( resid 79 and name HG2#
) 4.4 0.9 0.9 volume=0.446 peak=1203 ppm1=8.347 ppm2=1.732
assign ( resid 80 and name H
)
( resid 81 and name HD3
or resid 81 and name HD2
) 3.2 0.6 0.6 volume=1.061 peak=1204 ppm1=8.332 ppm2=3.723
assign ( resid 80 and name H
)
( resid 76 and name HA
or resid 79 and name HA
or resid 80 and name HA
) 3.2 0.6 0.6 volume=1.083 peak=1205 ppm1=8.339 ppm2=4.401
assign ( resid 80 and name H
)
( resid 79 and name H
) 3.3 0.7 0.7 volume=0.816 peak=1206 ppm1=8.339 ppm2=9.964
assign ( resid 80 and name H
)
( resid 171 and name HH2
) 3.8 0.8 0.8 volume=0.376 peak=1207 ppm1=8.319 ppm2=7.475
assign ( resid 80 and name H
)
( resid 82 and name H
) 3.8 0.8 0.8 volume=0.345 peak=1208 ppm1=8.330 ppm2=6.932
assign ( resid 82 and name H
)
( resid 83 and name H
) 3.3 0.7 0.7 volume=0.889 peak=1209 ppm1=6.919 ppm2=7.962
assign ( resid 82 and name H
)
( resid 80 and name H
or resid 84 and name H
) 3.6 0.7 0.7 volume=0.520 peak=1210 ppm1=6.910 ppm2=8.311
assign ( resid 82 and name H
)
( resid 81 and name HA
or resid 82 and name HA
) 3.2 0.6 0.6 volume=1.083 peak=1211 ppm1=6.918 ppm2=4.454
assign ( resid 82 and name H
)
( resid 79 and name HA
or resid 80 and name HA
or resid 82 and name HA
) 3.2 0.6 0.6 volume=1.052 peak=1212 ppm1=6.919 ppm2=4.404
assign ( resid 82 and name H
)
( resid 81 and name HD3
or resid 81 and name HD2
) 3.3 0.7 0.7 volume=0.841 peak=1213 ppm1=6.920 ppm2=3.708
assign ( resid 82 and name H
)
( resid 82 and name HG
) 2.8 0.6 0.6 volume=2.259 peak=1214 ppm1=6.919 ppm2=2.262
assign ( resid 82 and name H
)
( resid 84 and name HG1#
) 4.2 0.8 0.8 volume=0.569 peak=1215 ppm1=6.913 ppm2=1.284
assign ( resid 82 and name H
)
( resid 82 and name HD1#
or resid 82 and name HD2#
) 3.2 0.6 0.6 volume=2.871 peak=1216 ppm1=6.918 ppm2=1.040
assign ( resid 125 and name H
)
( resid 123 and name HA
or resid 125 and name HA
) 3.2 0.6 0.6 volume=1.083 peak=1217 ppm1=7.985 ppm2=4.349
assign ( resid 125 and name H
)
( resid 122 and name HA
or resid 124 and name HA
) 3.6 0.7 0.7 volume=0.461 peak=1218 ppm1=7.984 ppm2=4.207
assign ( resid 125 and name H
)
( resid 124 and name HD#
) 4.3 0.9 0.9 volume=0.323 peak=1219 ppm1=7.984 ppm2=7.422
assign ( resid 125 and name H
)
( resid 126 and name H
) 3.4 0.7 0.7 volume=0.680 peak=1220 ppm1=7.985 ppm2=7.221
assign ( resid 83 and name H
)
( resid 82 and name H
) 3.7 0.7 0.7 volume=0.391 peak=1221 ppm1=7.950 ppm2=6.922
assign ( resid 83 and name H
)
( resid 81 and name HA
) 3.9 0.8 0.8 volume=0.301 peak=1222 ppm1=7.956 ppm2=4.496
assign ( resid 83 and name H
)
( resid 81 and name HD3
or resid 81 and name HD2
) 3.6 0.7 0.7 volume=0.469 peak=1223 ppm1=7.951 ppm2=3.711
assign ( resid 125 and name H
)
( resid 124 and name HB3
) 3.9 0.8 0.8 volume=0.319 peak=1224 ppm1=7.983 ppm2=3.265
assign ( resid 125 and name H
)
( resid 124 and name HB2
or resid 127 and name HB3
) 3.8 0.8 0.8 volume=0.334 peak=1225 ppm1=7.984 ppm2=3.151
assign ( resid 221 and name H
)
( resid 220 and name HD2
or resid 220 and name HD3
) 4.6 0.9 0.9 volume=0.116 peak=1226 ppm1=7.857 ppm2=3.408
assign ( resid 83 and name H
)
( resid 82 and name HG
) 3.6 0.7 0.7 volume=0.483 peak=1227 ppm1=7.952 ppm2=2.339
assign ( resid 125 and name H
)
( resid 127 and name HB2
) 4.3 0.9 0.9 volume=0.173 peak=1228 ppm1=7.984 ppm2=2.573
assign ( resid 125 and name H
)
( resid 122 and name HB3
or resid 122 and name HB2
or resid 126 and name HG
) 3.8 0.8 0.8 volume=0.372 peak=1229 ppm1=7.981 ppm2=2.174
assign ( resid 125 and name H
)
( resid 125 and name HB#
) 3.3 0.7 0.7 volume=2.427 peak=1230 ppm1=7.985 ppm2=1.715
assign ( resid 83 and name H
)
( resid 84 and name HG1#
) 4.3 0.9 0.9 volume=0.530 peak=1231 ppm1=7.952 ppm2=1.273
assign ( resid 83 and name H
)
( resid 43 and name HD1#
or resid 83 and name HG2#
) 3.9 0.8 0.8 volume=0.965 peak=1232 ppm1=7.951 ppm2=0.867
assign ( resid 83 and name H
)
( resid 82 and name HD2#
or resid 83 and name HD1#
or resid 84 and name HG2#
) 3.8 0.8 0.8 volume=1.068 peak=1233 ppm1=7.954 ppm2=1.105
assign ( resid 125 and name H
)
( resid 126 and name HD1#
or resid 126 and name HD2#
) 4.2 0.8 0.8 volume=0.548 peak=1234 ppm1=7.981 ppm2=1.004
assign ( resid 83 and name H
)
( resid 85 and name H
) 4.3 0.9 0.9 volume=0.179 peak=1235 ppm1=7.949 ppm2=9.145
assign ( resid 223 and name H
)
( resid 223 and name HA
) 3.2 0.6 0.6 volume=1.083 peak=1236 ppm1=8.295 ppm2=4.912
assign ( resid 223 and name H
)
( resid 222 and name HA
) 3.2 0.6 0.6 volume=0.933 peak=1237 ppm1=8.295 ppm2=4.386
assign ( resid 223 and name H
)
( resid 223 and name HB3
) 3.4 0.7 0.7 volume=0.637 peak=1238 ppm1=8.296 ppm2=3.540
assign ( resid 223 and name H
)
( resid 223 and name HB2
) 3.3 0.7 0.7 volume=0.852 peak=1239 ppm1=8.296 ppm2=3.371
assign ( resid 223 and name H
)
( resid 222 and name HG2
) 3.8 0.8 0.8 volume=0.342 peak=1240 ppm1=8.289 ppm2=2.487
assign ( resid 223 and name H
)
( resid 222 and name HB3
or resid 222 and name HB2
) 3.3 0.7 0.7 volume=0.851 peak=1241 ppm1=8.295 ppm2=2.165
assign ( resid 41 and name H
)
( resid 39 and name HG2#
) 4.7 0.9 0.9 volume=0.319 peak=1242 ppm1=8.290 ppm2=1.780
assign ( resid 84 and name H
)
( resid 84 and name HG1#
) 3.3 0.7 0.7 volume=2.667 peak=1243 ppm1=8.282 ppm2=1.300
assign ( resid 86 and name H
)
( resid 85 and name H
) 4.0 0.8 0.8 volume=0.268 peak=1244 ppm1=8.710 ppm2=9.148
assign ( resid 86 and name H
)
( resid 86 and name HD#
) 4.0 0.8 0.8 volume=0.564 peak=1245 ppm1=8.705 ppm2=7.374
assign ( resid 87 and name H
)
( resid 86 and name HD#
) 3.6 0.7 0.7 volume=1.026 peak=1246 ppm1=8.617 ppm2=7.377
assign ( resid 86 and name H
)
( resid 85 and name HA
) 4.1 0.8 0.8 volume=0.221 peak=1247 ppm1=8.708 ppm2=4.672
assign ( resid 86 and name H
)
( resid 82 and name HA
) 3.9 0.8 0.8 volume=0.283 peak=1248 ppm1=8.727 ppm2=4.462
assign ( resid 87 and name H
)
( resid 87 and name HA
) 3.2 0.6 0.6 volume=1.083 peak=1249 ppm1=8.615 ppm2=4.437
assign ( resid 87 and name H
)
( resid 86 and name HA
) 3.2 0.6 0.6 volume=0.972 peak=1250 ppm1=8.612 ppm2=3.933
assign ( resid 87 and name H
)
( resid 86 and name HB2
) 3.4 0.7 0.7 volume=0.750 peak=1251 ppm1=8.609 ppm2=3.516
assign ( resid 87 and name H
)
( resid 84 and name HA
or resid 88 and name HA2
or resid 88 and name HA3
) 3.2 0.6 0.6 volume=1.078 peak=1252 ppm1=8.619 ppm2=3.803
assign ( resid 87 and name H
)
( resid 88 and name H
) 3.3 0.7 0.7 volume=0.863 peak=1253 ppm1=8.612 ppm2=9.494
assign ( resid 87 and name H
)
( resid 89 and name H
) 3.7 0.7 0.7 volume=0.451 peak=1254 ppm1=8.609 ppm2=9.060
assign ( resid 87 and name H
)
( resid 86 and name HB3
) 2.9 0.6 0.6 volume=1.937 peak=1255 ppm1=8.614 ppm2=2.470
assign ( resid 213 and name H
)
( resid 216 and name HB#
) 4.4 0.9 0.9 volume=0.465 peak=1256 ppm1=8.626 ppm2=1.694
assign ( resid 87 and name H
)
( resid 84 and name HG1#
) 4.1 0.8 0.8 volume=0.713 peak=1257 ppm1=8.617 ppm2=1.295
assign ( resid 213 and name H
)
( resid 213 and name HD1#
or resid 213 and name HD2#
) 3.6 0.7 0.7 volume=1.432 peak=1258 ppm1=8.623 ppm2=1.101
assign ( resid 87 and name H
)
( resid 83 and name HG2#
) 4.1 0.8 0.8 volume=0.697 peak=1259 ppm1=8.607 ppm2=0.864
assign ( resid 88 and name H
)
( resid 84 and name HG1#
or resid 89 and name HG
) 3.9 0.8 0.8 volume=0.429 peak=1260 ppm1=9.490 ppm2=1.255
assign ( resid 88 and name H
)
( resid 84 and name HG2#
or resid 87 and name HD1#
or resid 87 and name HD2#
or resid 90 and name HD1#
) 3.9 0.8 0.8 volume=0.921 peak=1261 ppm1=9.488 ppm2=1.058
assign ( resid 88 and name H
)
( resid 93 and name HD1#
or resid 93 and name HD2#
) 4.2 0.8 0.8 volume=0.554 peak=1262 ppm1=9.489 ppm2=0.785
assign ( resid 88 and name H
)
( resid 89 and name HB2
) 4.2 0.8 0.8 volume=0.197 peak=1263 ppm1=9.511 ppm2=1.401
assign ( resid 88 and name H
)
( resid 86 and name HB3
) 3.6 0.7 0.7 volume=0.517 peak=1264 ppm1=9.488 ppm2=2.485
assign ( resid 88 and name H
)
( resid 145 and name HE#
) 4.0 0.8 0.8 volume=0.791 peak=1265 ppm1=9.490 ppm2=2.154
assign ( resid 88 and name H
)
( resid 84 and name HA
or resid 88 and name HA2
or resid 88 and name HA3
) 3.2 0.6 0.6 volume=1.083 peak=1266 ppm1=9.488 ppm2=3.759
assign ( resid 88 and name H
)
( resid 86 and name HA
) 4.2 0.8 0.8 volume=0.204 peak=1267 ppm1=9.478 ppm2=3.934
assign ( resid 88 and name H
)
( resid 87 and name HA
) 4.1 0.8 0.8 volume=0.237 peak=1268 ppm1=9.490 ppm2=4.426
assign ( resid 88 and name H
)
( resid 85 and name HA
) 4.3 0.9 0.9 volume=0.160 peak=1269 ppm1=9.485 ppm2=4.665
assign ( resid 88 and name H
)
( resid 87 and name H
) 3.8 0.8 0.8 volume=0.367 peak=1270 ppm1=9.491 ppm2=8.624
assign ( resid 88 and name H
)
( resid 89 and name H
) 3.7 0.7 0.7 volume=0.419 peak=1271 ppm1=9.488 ppm2=9.036
assign ( resid 89 and name H
)
( resid 89 and name HD1#
) 3.9 0.8 0.8 volume=0.913 peak=1272 ppm1=9.030 ppm2=0.219
assign ( resid 89 and name H
)
( resid 89 and name HD2#
) 3.8 0.8 0.8 volume=1.075 peak=1273 ppm1=9.029 ppm2=0.644
assign ( resid 89 and name H
)
( resid 90 and name HD1#
) 4.4 0.9 0.9 volume=0.468 peak=1274 ppm1=9.032 ppm2=1.093
assign ( resid 89 and name H
)
( resid 89 and name HB2
) 3.3 0.7 0.7 volume=0.889 peak=1275 ppm1=9.029 ppm2=1.402
assign ( resid 89 and name H
)
( resid 89 and name HG
) 3.1 0.6 0.6 volume=1.273 peak=1276 ppm1=9.028 ppm2=1.271
assign ( resid 89 and name H
)
( resid 89 and name HB3
) 3.3 0.7 0.7 volume=0.896 peak=1277 ppm1=9.033 ppm2=1.917
assign ( resid 89 and name H
)
( resid 90 and name HB3
) 4.0 0.8 0.8 volume=0.275 peak=1278 ppm1=9.036 ppm2=2.484
assign ( resid 89 and name H
)
( resid 86 and name HA
) 3.6 0.7 0.7 volume=0.494 peak=1279 ppm1=9.031 ppm2=3.936
assign ( resid 89 and name H
)
( resid 88 and name HA2
or resid 88 and name HA3
) 3.5 0.7 0.7 volume=0.556 peak=1280 ppm1=9.035 ppm2=3.726
assign ( resid 89 and name H
)
( resid 89 and name HA
) 3.2 0.6 0.6 volume=1.083 peak=1281 ppm1=9.031 ppm2=4.265
assign ( resid 89 and name H
)
( resid 90 and name HA
) 4.2 0.8 0.8 volume=0.193 peak=1282 ppm1=9.023 ppm2=4.142
assign ( resid 89 and name H
)
( resid 36 and name HE#
) 4.5 0.9 0.9 volume=0.261 peak=1283 ppm1=9.026 ppm2=6.647
assign ( resid 89 and name H
)
( resid 98 and name HE#
) 4.1 0.8 0.8 volume=0.469 peak=1284 ppm1=9.032 ppm2=7.544
assign ( resid 89 and name H
)
( resid 98 and name HZ
) 3.6 0.7 0.7 volume=0.503 peak=1285 ppm1=9.026 ppm2=7.279
assign ( resid 89 and name H
)
( resid 90 and name H
) 3.5 0.7 0.7 volume=0.607 peak=1286 ppm1=9.026 ppm2=7.841
assign ( resid 89 and name H
)
( resid 88 and name H
) 3.7 0.7 0.7 volume=0.449 peak=1287 ppm1=9.032 ppm2=9.495
assign ( resid 89 and name H
)
( resid 91 and name H
) 4.3 0.9 0.9 volume=0.172 peak=1288 ppm1=9.022 ppm2=8.266
assign ( resid 90 and name H
)
( resid 88 and name H
) 4.2 0.8 0.8 volume=0.197 peak=1289 ppm1=7.839 ppm2=9.508
assign ( resid 90 and name H
)
( resid 89 and name H
) 3.4 0.7 0.7 volume=0.649 peak=1290 ppm1=7.838 ppm2=9.036
assign ( resid 90 and name H
)
( resid 91 and name H
) 3.3 0.7 0.7 volume=0.827 peak=1291 ppm1=7.840 ppm2=8.247
assign ( resid 90 and name H
)
( resid 86 and name HD#
) 4.6 0.9 0.9 volume=0.238 peak=1292 ppm1=7.838 ppm2=7.382
assign ( resid 90 and name H
)
( resid 36 and name HE#
) 4.0 0.8 0.8 volume=0.514 peak=1293 ppm1=7.838 ppm2=6.640
assign ( resid 90 and name H
)
( resid 87 and name HA
) 3.8 0.8 0.8 volume=0.386 peak=1294 ppm1=7.840 ppm2=4.426
assign ( resid 90 and name H
)
( resid 89 and name HA
) 3.5 0.7 0.7 volume=0.582 peak=1295 ppm1=7.840 ppm2=4.262
assign ( resid 90 and name H
)
( resid 86 and name HA
) 3.6 0.7 0.7 volume=0.520 peak=1296 ppm1=7.838 ppm2=3.921
assign ( resid 90 and name H
)
( resid 90 and name HA
) 3.2 0.6 0.6 volume=1.083 peak=1297 ppm1=7.839 ppm2=4.157
assign ( resid 90 and name H
)
( resid 90 and name HB3
) 3.3 0.7 0.7 volume=0.840 peak=1298 ppm1=7.840 ppm2=2.473
assign ( resid 90 and name H
)
( resid 90 and name HG
) 3.1 0.6 0.6 volume=1.320 peak=1299 ppm1=7.840 ppm2=2.115
assign ( resid 90 and name H
)
( resid 89 and name HB3
) 3.4 0.7 0.7 volume=0.648 peak=1300 ppm1=7.839 ppm2=1.922
assign ( resid 90 and name H
)
( resid 90 and name HB2
) 3.3 0.7 0.7 volume=0.885 peak=1301 ppm1=7.842 ppm2=1.677
assign ( resid 177 and name H
)
( resid 177 and name HG13
) 3.0 0.6 0.6 volume=1.356 peak=1302 ppm1=7.889 ppm2=1.366
assign ( resid 90 and name H
)
( resid 89 and name HG
or resid 91 and name HB#
) 3.5 0.7 0.7 volume=0.815 peak=1303 ppm1=7.842 ppm2=1.255
assign ( resid 177 and name H
)
( resid 177 and name HG2#
) 3.5 0.7 0.7 volume=1.618 peak=1304 ppm1=7.886 ppm2=1.213
assign ( resid 177 and name H
)
( resid 173 and name HG2#
or resid 180 and name HD2#
or resid 180 and name HD1#
) 3.5 0.7 0.7 volume=1.627 peak=1305 ppm1=7.890 ppm2=1.019
assign ( resid 90 and name H
)
( resid 90 and name HD2#
) 3.8 0.8 0.8 volume=1.151 peak=1306 ppm1=7.840 ppm2=0.949
assign ( resid 90 and name H
)
( resid 89 and name HB2
) 3.3 0.7 0.7 volume=0.816 peak=1307 ppm1=7.842 ppm2=1.409
assign ( resid 90 and name H
)
( resid 90 and name HD1#
) 3.6 0.7 0.7 volume=1.538 peak=1308 ppm1=7.840 ppm2=1.105
assign ( resid 90 and name H
)
( resid 89 and name HD2#
) 4.4 0.9 0.9 volume=0.422 peak=1309 ppm1=7.843 ppm2=0.645
assign ( resid 90 and name H
)
( resid 89 and name HD1#
) 4.4 0.9 0.9 volume=0.436 peak=1310 ppm1=7.842 ppm2=0.223
assign ( resid 91 and name H
)
( resid 90 and name H
) 3.5 0.7 0.7 volume=0.635 peak=1311 ppm1=8.243 ppm2=7.825
assign ( resid 91 and name H
)
( resid 92 and name H
) 3.4 0.7 0.7 volume=0.678 peak=1312 ppm1=8.249 ppm2=7.753
assign ( resid 91 and name H
)
( resid 93 and name H
) 4.2 0.8 0.8 volume=0.184 peak=1313 ppm1=8.239 ppm2=7.436
assign ( resid 91 and name H
)
( resid 89 and name H
) 4.6 0.9 0.9 volume=0.114 peak=1314 ppm1=8.244 ppm2=9.030
assign ( resid 91 and name H
)
( resid 89 and name HA
) 3.9 0.8 0.8 volume=0.322 peak=1315 ppm1=8.247 ppm2=4.287
assign ( resid 91 and name H
)
( resid 90 and name HA
) 3.5 0.7 0.7 volume=0.612 peak=1316 ppm1=8.244 ppm2=4.141
assign ( resid 91 and name H
)
( resid 92 and name HA2
or resid 92 and name HA3
) 3.4 0.7 0.7 volume=0.679 peak=1317 ppm1=8.241 ppm2=3.907
assign ( resid 91 and name H
)
( resid 91 and name HA
) 3.2 0.6 0.6 volume=1.083 peak=1318 ppm1=8.243 ppm2=3.655
assign ( resid 91 and name H
)
( resid 93 and name HD1#
or resid 93 and name HD2#
) 4.6 0.9 0.9 volume=0.336 peak=1319 ppm1=8.241 ppm2=0.784
assign ( resid 91 and name H
)
( resid 91 and name HB#
) 3.5 0.7 0.7 volume=1.902 peak=1320 ppm1=8.243 ppm2=1.224
assign ( resid 91 and name H
)
( resid 90 and name HD1#
or resid 149 and name HB#
) 3.7 0.7 0.7 volume=1.324 peak=1321 ppm1=8.243 ppm2=1.106
assign ( resid 91 and name H
)
( resid 90 and name HD2#
) 4.0 0.8 0.8 volume=0.781 peak=1322 ppm1=8.245 ppm2=0.940
assign ( resid 91 and name H
)
( resid 90 and name HB2
) 3.5 0.7 0.7 volume=0.547 peak=1323 ppm1=8.243 ppm2=1.675
assign ( resid 91 and name H
)
( resid 90 and name HB3
) 3.5 0.7 0.7 volume=0.589 peak=1324 ppm1=8.243 ppm2=2.473
assign ( resid 92 and name H
)
( resid 91 and name H
) 4.1 0.8 0.8 volume=0.224 peak=1325 ppm1=7.745 ppm2=8.252
assign ( resid 92 and name H
)
( resid 93 and name H
) 3.8 0.8 0.8 volume=0.379 peak=1326 ppm1=7.746 ppm2=7.433
assign ( resid 92 and name H
)
( resid 89 and name HA
) 4.4 0.9 0.9 volume=0.157 peak=1327 ppm1=7.746 ppm2=4.249
assign ( resid 92 and name H
)
( resid 90 and name HA
or resid 93 and name HA
) 4.3 0.9 0.9 volume=0.178 peak=1328 ppm1=7.743 ppm2=4.170
assign ( resid 92 and name H
)
( resid 92 and name HA2
or resid 92 and name HA3
) 3.2 0.6 0.6 volume=1.083 peak=1329 ppm1=7.746 ppm2=3.917
assign ( resid 92 and name H
)
( resid 91 and name HA
) 4.2 0.8 0.8 volume=0.187 peak=1330 ppm1=7.745 ppm2=3.658
assign ( resid 92 and name H
)
( resid 90 and name HB3
) 5.0 1.0 1.0 volume=0.069 peak=1331 ppm1=7.751 ppm2=2.473
assign ( resid 92 and name H
)
( resid 93 and name HG
) 4.4 0.9 0.9 volume=0.144 peak=1332 ppm1=7.744 ppm2=1.814
assign ( resid 92 and name H
)
( resid 93 and name HB2
) 4.6 0.9 0.9 volume=0.110 peak=1333 ppm1=7.746 ppm2=1.401
assign ( resid 92 and name H
)
( resid 91 and name HB#
) 4.6 0.9 0.9 volume=0.326 peak=1334 ppm1=7.745 ppm2=1.225
assign ( resid 92 and name H
)
( resid 93 and name HD1#
or resid 93 and name HD2#
or resid 93 and name HB3
) 4.5 0.9 0.9 volume=0.247 peak=1335 ppm1=7.745 ppm2=0.788
assign ( resid 92 and name H
)
( resid 89 and name HD2#
) 6.1 1.2 1.2 volume=0.064 peak=1336 ppm1=7.746 ppm2=0.643
assign ( resid 92 and name H
)
( resid 90 and name HB2
) 5.3 1.1 1.1 volume=0.051 peak=1337 ppm1=7.752 ppm2=1.680
assign ( resid 93 and name H
)
( resid 94 and name H
) 3.8 0.8 0.8 volume=0.381 peak=1338 ppm1=7.430 ppm2=8.446
assign ( resid 93 and name H
)
( resid 91 and name H
) 4.2 0.8 0.8 volume=0.201 peak=1339 ppm1=7.427 ppm2=8.251
assign ( resid 93 and name H
)
( resid 92 and name H
) 3.1 0.6 0.6 volume=1.147 peak=1340 ppm1=7.432 ppm2=7.754
assign ( resid 93 and name H
)
( resid 93 and name HA
) 3.2 0.6 0.6 volume=1.083 peak=1341 ppm1=7.432 ppm2=4.175
assign ( resid 93 and name H
)
( resid 92 and name HA2
or resid 92 and name HA3
) 3.0 0.6 0.6 volume=1.432 peak=1342 ppm1=7.431 ppm2=3.916
assign ( resid 93 and name H
)
( resid 88 and name HA2
or resid 88 and name HA3
) 3.7 0.7 0.7 volume=0.399 peak=1343 ppm1=7.427 ppm2=3.773
assign ( resid 93 and name H
)
( resid 93 and name HG
) 3.2 0.6 0.6 volume=1.087 peak=1344 ppm1=7.432 ppm2=1.822
assign ( resid 93 and name H
)
( resid 93 and name HB2
) 3.3 0.7 0.7 volume=0.866 peak=1345 ppm1=7.431 ppm2=1.392
assign ( resid 93 and name H
)
( resid 91 and name HB#
) 4.1 0.8 0.8 volume=0.688 peak=1346 ppm1=7.433 ppm2=1.224
assign ( resid 93 and name H
)
( resid 93 and name HD1#
or resid 93 and name HD2#
or resid 93 and name HB3
) 3.0 0.6 0.6 volume=2.683 peak=1347 ppm1=7.431 ppm2=0.788
assign ( resid 95 and name H
)
( resid 94 and name HB2
) 3.1 0.6 0.6 volume=1.187 peak=1348 ppm1=8.702 ppm2=2.957
assign ( resid 95 and name H
)
( resid 94 and name HB3
) 3.1 0.6 0.6 volume=1.312 peak=1349 ppm1=8.702 ppm2=3.209
assign ( resid 95 and name H
)
( resid 95 and name HB3
or resid 95 and name HB2
) 2.8 0.6 0.6 volume=2.104 peak=1350 ppm1=8.702 ppm2=4.144
assign ( resid 95 and name H
)
( resid 95 and name HA
) 3.2 0.6 0.6 volume=1.083 peak=1351 ppm1=8.701 ppm2=4.402
assign ( resid 95 and name H
)
( resid 94 and name HA
) 2.9 0.6 0.6 volume=1.917 peak=1352 ppm1=8.703 ppm2=4.940
assign ( resid 95 and name H
)
( resid 98 and name HD#
) 4.8 1.0 1.0 volume=0.169 peak=1353 ppm1=8.703 ppm2=7.320
assign ( resid 95 and name H
)
( resid 96 and name H
) 3.4 0.7 0.7 volume=0.691 peak=1354 ppm1=8.702 ppm2=8.424
assign ( resid 94 and name H
)
( resid 94 and name HB3
) 3.3 0.7 0.7 volume=0.792 peak=1355 ppm1=8.443 ppm2=3.211
assign ( resid 94 and name H
)
( resid 94 and name HB2
) 3.3 0.7 0.7 volume=0.821 peak=1356 ppm1=8.439 ppm2=2.955
assign ( resid 96 and name H
)
( resid 94 and name HA
) 4.2 0.8 0.8 volume=0.191 peak=1357 ppm1=8.412 ppm2=4.942
assign ( resid 96 and name H
)
( resid 95 and name HA
) 3.9 0.8 0.8 volume=0.295 peak=1358 ppm1=8.412 ppm2=4.408
assign ( resid 96 and name H
)
( resid 96 and name HA
) 3.2 0.6 0.6 volume=1.083 peak=1359 ppm1=8.411 ppm2=4.270
assign ( resid 96 and name H
)
( resid 95 and name HB3
or resid 95 and name HB2
) 3.4 0.7 0.7 volume=0.646 peak=1360 ppm1=8.411 ppm2=4.139
assign ( resid 233 and name H
)
( resid 232 and name HA
) 2.9 0.6 0.6 volume=1.803 peak=1361 ppm1=8.439 ppm2=4.500
assign ( resid 96 and name H
)
( resid 95 and name H
or resid 98 and name H
) 3.9 0.8 0.8 volume=0.309 peak=1362 ppm1=8.410 ppm2=8.670
assign ( resid 96 and name H
)
( resid 96 and name HD2
or resid 96 and name HD3
) 4.0 0.8 0.8 volume=0.253 peak=1363 ppm1=8.413 ppm2=3.421
assign ( resid 96 and name H
)
( resid 94 and name HB3
or resid 98 and name HB2
) 4.1 0.8 0.8 volume=0.229 peak=1364 ppm1=8.412 ppm2=3.206
assign ( resid 96 and name H
)
( resid 94 and name HB2
) 4.3 0.9 0.9 volume=0.180 peak=1365 ppm1=8.405 ppm2=2.953
assign ( resid 96 and name H
)
( resid 97 and name HG2
) 4.6 0.9 0.9 volume=0.118 peak=1366 ppm1=8.411 ppm2=2.703
assign ( resid 96 and name H
)
( resid 97 and name HG3
) 4.6 0.9 0.9 volume=0.115 peak=1367 ppm1=8.413 ppm2=2.543
assign ( resid 96 and name H
)
( resid 96 and name HB2
) 3.8 0.8 0.8 volume=0.366 peak=1368 ppm1=8.411 ppm2=1.871
assign ( resid 96 and name H
)
( resid 96 and name HB3
) 4.0 0.8 0.8 volume=0.283 peak=1369 ppm1=8.412 ppm2=1.733
assign ( resid 97 and name H
)
( resid 98 and name HD#
) 5.2 1.0 1.0 volume=0.108 peak=1370 ppm1=8.352 ppm2=7.327
assign ( resid 97 and name H
)
( resid 94 and name HA
) 4.6 0.9 0.9 volume=0.109 peak=1371 ppm1=8.355 ppm2=4.934
assign ( resid 97 and name H
)
( resid 96 and name HA
or resid 97 and name HA
) 3.2 0.6 0.6 volume=1.083 peak=1372 ppm1=8.355 ppm2=4.256
assign ( resid 97 and name H
)
( resid 94 and name HB2
) 4.5 0.9 0.9 volume=0.133 peak=1373 ppm1=8.352 ppm2=2.949
assign ( resid 161 and name H
)
( resid 160 and name H
) 3.6 0.7 0.7 volume=0.495 peak=1374 ppm1=8.630 ppm2=9.091
assign ( resid 98 and name H
)
( resid 97 and name H
or resid 99 and name H
) 2.7 0.5 0.5 volume=2.498 peak=1375 ppm1=8.643 ppm2=8.353
assign ( resid 161 and name H
)
( resid 159 and name H
or resid 162 and name H
) 3.2 0.6 0.6 volume=0.947 peak=1376 ppm1=8.629 ppm2=7.742
assign ( resid 213 and name H
)
( resid 212 and name H
) 3.6 0.7 0.7 volume=0.492 peak=1377 ppm1=8.628 ppm2=7.837
assign ( resid 98 and name H
)
( resid 98 and name HE#
) 4.3 0.9 0.9 volume=0.337 peak=1378 ppm1=8.646 ppm2=7.551
assign ( resid 98 and name H
)
( resid 98 and name HD#
) 3.5 0.7 0.7 volume=1.246 peak=1379 ppm1=8.643 ppm2=7.323
assign ( resid 161 and name H
)
( resid 160 and name HD#
) 4.0 0.8 0.8 volume=0.521 peak=1380 ppm1=8.629 ppm2=7.064
assign ( resid 98 and name H
)
( resid 95 and name HA
or resid 98 and name HA
) 2.7 0.5 0.5 volume=2.667 peak=1381 ppm1=8.643 ppm2=4.416
assign ( resid 98 and name H
)
( resid 96 and name HA
or resid 97 and name HA
) 3.1 0.6 0.6 volume=1.315 peak=1382 ppm1=8.641 ppm2=4.256
assign ( resid 98 and name H
)
( resid 98 and name HB3
) 2.8 0.6 0.6 volume=2.151 peak=1383 ppm1=8.642 ppm2=3.374
assign ( resid 98 and name H
or resid 161 and name H
)
( resid 98 and name HB2
or resid 161 and name HA
) 2.7 0.5 0.5 volume=2.551 peak=1384 ppm1=8.640 ppm2=3.200
assign ( resid 98 and name H
)
( resid 97 and name HG2
) 3.6 0.7 0.7 volume=0.524 peak=1385 ppm1=8.644 ppm2=2.701
assign ( resid 98 and name H
)
( resid 97 and name HG3
) 3.6 0.7 0.7 volume=0.511 peak=1386 ppm1=8.643 ppm2=2.540
assign ( resid 161 and name H
)
( resid 160 and name HB3
) 3.7 0.7 0.7 volume=0.426 peak=1387 ppm1=8.632 ppm2=3.035
assign ( resid 161 and name H
)
( resid 161 and name HB
) 3.0 0.6 0.6 volume=1.601 peak=1388 ppm1=8.631 ppm2=2.286
assign ( resid 213 and name H
)
( resid 213 and name HG
or resid 213 and name HB3
) 3.1 0.6 0.6 volume=1.150 peak=1389 ppm1=8.627 ppm2=2.162
assign ( resid 142 and name H
)
( resid 138 and name HB
or resid 141 and name HB2
or resid 141 and name HG
) 3.1 0.6 0.6 volume=1.185 peak=1390 ppm1=8.650 ppm2=2.120
assign ( resid 142 and name H
)
( resid 142 and name HB
) 2.9 0.6 0.6 volume=1.926 peak=1391 ppm1=8.646 ppm2=2.397
assign ( resid 213 and name H
)
( resid 213 and name HB2
) 3.3 0.7 0.7 volume=0.770 peak=1392 ppm1=8.628 ppm2=1.858
assign ( resid 98 and name H
)
( resid 96 and name HB2
) 3.9 0.8 0.8 volume=0.330 peak=1393 ppm1=8.640 ppm2=1.821
assign ( resid 98 and name H
)
( resid 96 and name HB3
) 3.7 0.7 0.7 volume=0.439 peak=1394 ppm1=8.634 ppm2=1.717
assign ( resid 161 and name H
)
( resid 161 and name HG1#
) 3.3 0.7 0.7 volume=2.712 peak=1395 ppm1=8.629 ppm2=1.306
assign ( resid 98 and name H
)
( resid 93 and name HD1#
or resid 93 and name HD2#
or resid 93 and name HB3
) 3.3 0.7 0.7 volume=1.493 peak=1396 ppm1=8.642 ppm2=0.782
assign ( resid 99 and name H
)
( resid 98 and name H
or resid 102 and name H
) 3.6 0.7 0.7 volume=0.514 peak=1397 ppm1=8.326 ppm2=8.652
assign ( resid 99 and name H
)
( resid 100 and name H
) 3.8 0.8 0.8 volume=0.383 peak=1398 ppm1=8.327 ppm2=7.885
assign ( resid 99 and name H
)
( resid 98 and name HD#
) 4.9 1.0 1.0 volume=0.164 peak=1399 ppm1=8.326 ppm2=7.327
assign ( resid 99 and name H
)
( resid 95 and name HA
or resid 98 and name HA
) 3.7 0.7 0.7 volume=0.447 peak=1400 ppm1=8.327 ppm2=4.413
assign ( resid 99 and name H
)
( resid 96 and name HA
or resid 97 and name HA
) 3.7 0.7 0.7 volume=0.436 peak=1401 ppm1=8.326 ppm2=4.260
assign ( resid 99 and name H
)
( resid 95 and name HB3
or resid 95 and name HB2
or resid 99 and name HA3
) 3.2 0.6 0.6 volume=1.088 peak=1402 ppm1=8.326 ppm2=4.109
assign ( resid 99 and name H
)
( resid 99 and name HA2
) 3.2 0.6 0.6 volume=1.083 peak=1403 ppm1=8.327 ppm2=3.815
assign ( resid 99 and name H
)
( resid 98 and name HB3
) 3.7 0.7 0.7 volume=0.397 peak=1404 ppm1=8.327 ppm2=3.381
assign ( resid 99 and name H
)
( resid 98 and name HB2
) 3.6 0.7 0.7 volume=0.484 peak=1405 ppm1=8.326 ppm2=3.196
assign ( resid 99 and name H
)
( resid 100 and name HG12
) 3.9 0.8 0.8 volume=0.298 peak=1406 ppm1=8.326 ppm2=1.995
assign ( resid 99 and name H
)
( resid 102 and name HG12
) 4.7 0.9 0.9 volume=0.097 peak=1407 ppm1=8.329 ppm2=1.762
assign ( resid 99 and name H
)
( resid 101 and name HG1#
or resid 101 and name HG2#
) 4.3 0.9 0.9 volume=0.478 peak=1408 ppm1=8.327 ppm2=1.073
assign ( resid 100 and name H
)
( resid 98 and name H
or resid 102 and name H
) 3.9 0.8 0.8 volume=0.309 peak=1409 ppm1=7.886 ppm2=8.652
assign ( resid 100 and name H
)
( resid 97 and name H
or resid 99 and name H
) 3.4 0.7 0.7 volume=0.640 peak=1410 ppm1=7.886 ppm2=8.337
assign ( resid 100 and name H
)
( resid 96 and name HA
or resid 97 and name HA
) 3.5 0.7 0.7 volume=0.616 peak=1411 ppm1=7.888 ppm2=4.252
assign ( resid 100 and name H
)
( resid 99 and name HA3
) 3.6 0.7 0.7 volume=0.531 peak=1412 ppm1=7.888 ppm2=4.104
assign ( resid 100 and name H
)
( resid 98 and name HA
) 4.2 0.8 0.8 volume=0.201 peak=1413 ppm1=7.890 ppm2=4.420
assign ( resid 100 and name H
)
( resid 99 and name HA2
or resid 100 and name HA
) 3.2 0.6 0.6 volume=1.083 peak=1414 ppm1=7.888 ppm2=3.768
assign ( resid 100 and name H
)
( resid 98 and name HB2
) 4.5 0.9 0.9 volume=0.128 peak=1415 ppm1=7.890 ppm2=3.187
assign ( resid 100 and name H
)
( resid 97 and name HG3
) 4.6 0.9 0.9 volume=0.113 peak=1416 ppm1=7.890 ppm2=2.552
assign ( resid 100 and name H
)
( resid 100 and name HG12
or resid 100 and name HB
) 2.9 0.6 0.6 volume=1.667 peak=1417 ppm1=7.888 ppm2=1.991
assign ( resid 100 and name H
)
( resid 100 and name HG13
or resid 100 and name HD1#
or resid 101 and name HG1#
or resid 101 and name HG2#
) 3.2 0.6 0.6 volume=1.881 peak=1418 ppm1=7.887 ppm2=1.098
assign ( resid 100 and name H
)
( resid 100 and name HG2#
) 3.9 0.8 0.8 volume=0.976 peak=1419 ppm1=7.887 ppm2=0.729
assign ( resid 101 and name H
)
( resid 100 and name HG2#
) 3.8 0.8 0.8 volume=1.131 peak=1420 ppm1=7.794 ppm2=0.732
assign ( resid 101 and name H
)
( resid 100 and name HD1#
or resid 101 and name HG1#
or resid 101 and name HG2#
) 3.2 0.6 0.6 volume=3.115 peak=1421 ppm1=7.794 ppm2=1.087
assign ( resid 101 and name H
)
( resid 102 and name HG13
) 3.9 0.8 0.8 volume=0.303 peak=1422 ppm1=7.792 ppm2=1.632
assign ( resid 101 and name H
)
( resid 102 and name HG12
) 4.4 0.9 0.9 volume=0.145 peak=1423 ppm1=7.787 ppm2=1.781
assign ( resid 101 and name H
)
( resid 100 and name HG12
or resid 100 and name HB
or resid 101 and name HB
) 3.0 0.6 0.6 volume=1.521 peak=1424 ppm1=7.793 ppm2=2.007
assign ( resid 101 and name H
)
( resid 99 and name HA2
or resid 100 and name HA
or resid 101 and name HA
) 3.2 0.6 0.6 volume=1.083 peak=1425 ppm1=7.794 ppm2=3.795
assign ( resid 101 and name H
)
( resid 97 and name HA
) 3.7 0.7 0.7 volume=0.434 peak=1426 ppm1=7.789 ppm2=4.245
assign ( resid 101 and name H
)
( resid 99 and name HA3
) 4.3 0.9 0.9 volume=0.170 peak=1427 ppm1=7.791 ppm2=4.083
assign ( resid 101 and name H
)
( resid 98 and name HA
) 3.8 0.8 0.8 volume=0.330 peak=1428 ppm1=7.794 ppm2=4.422
assign ( resid 101 and name H
)
( resid 99 and name H
or resid 104 and name H
) 4.1 0.8 0.8 volume=0.226 peak=1429 ppm1=7.796 ppm2=8.383
assign ( resid 101 and name H
)
( resid 102 and name H
) 3.4 0.7 0.7 volume=0.681 peak=1430 ppm1=7.795 ppm2=8.655
assign ( resid 102 and name H
)
( resid 101 and name H
) 3.5 0.7 0.7 volume=0.538 peak=1431 ppm1=8.647 ppm2=7.796
assign ( resid 102 and name H
)
( resid 103 and name H
) 3.5 0.7 0.7 volume=0.629 peak=1432 ppm1=8.652 ppm2=8.118
assign ( resid 102 and name H
)
( resid 104 and name H
) 4.0 0.8 0.8 volume=0.253 peak=1433 ppm1=8.656 ppm2=8.348
assign ( resid 121 and name H
)
( resid 121 and name HG2#
) 4.0 0.8 0.8 volume=0.836 peak=1434 ppm1=8.690 ppm2=1.305
assign ( resid 103 and name H
)
( resid 102 and name H
) 3.2 0.6 0.6 volume=1.019 peak=1435 ppm1=8.110 ppm2=8.656
assign ( resid 103 and name H
)
( resid 101 and name H
) 3.8 0.8 0.8 volume=0.362 peak=1436 ppm1=8.116 ppm2=7.792
assign ( resid 103 and name H
)
( resid 103 and name HB
) 3.0 0.6 0.6 volume=1.483 peak=1437 ppm1=8.112 ppm2=4.511
assign ( resid 103 and name H
)
( resid 103 and name HA
) 3.2 0.6 0.6 volume=1.083 peak=1438 ppm1=8.112 ppm2=3.925
assign ( resid 103 and name H
)
( resid 99 and name HA2
or resid 100 and name HA
or resid 101 and name HA
) 3.4 0.7 0.7 volume=0.740 peak=1439 ppm1=8.117 ppm2=3.776
assign ( resid 103 and name H
)
( resid 102 and name HB
) 3.1 0.6 0.6 volume=1.203 peak=1440 ppm1=8.109 ppm2=2.173
assign ( resid 103 and name H
)
( resid 102 and name HG13
or resid 104 and name HB3
) 3.6 0.7 0.7 volume=0.484 peak=1441 ppm1=8.115 ppm2=1.634
assign ( resid 103 and name H
)
( resid 102 and name HG12
) 3.8 0.8 0.8 volume=0.338 peak=1442 ppm1=8.108 ppm2=1.796
assign ( resid 103 and name H
)
( resid 103 and name HG2#
) 3.5 0.7 0.7 volume=1.784 peak=1443 ppm1=8.109 ppm2=1.230
assign ( resid 103 and name H
)
( resid 101 and name HG1#
or resid 101 and name HG2#
or resid 102 and name HG2#
) 3.4 0.7 0.7 volume=1.949 peak=1444 ppm1=8.111 ppm2=1.050
assign ( resid 104 and name H
or resid 214 and name H
)
( resid 105 and name H
or resid 106 and name H
or resid 216 and name H
) 3.9 0.8 0.8 volume=0.315 peak=1445 ppm1=8.402 ppm2=8.249
assign ( resid 104 and name H
)
( resid 103 and name H
) 3.5 0.7 0.7 volume=0.570 peak=1446 ppm1=8.393 ppm2=8.129
assign ( resid 104 and name H
)
( resid 102 and name HA
or resid 104 and name HA
) 3.2 0.6 0.6 volume=1.083 peak=1447 ppm1=8.391 ppm2=4.005
assign ( resid 104 and name H
or resid 214 and name H
)
( resid 101 and name HA
or resid 211 and name HA
) 3.7 0.7 0.7 volume=0.428 peak=1448 ppm1=8.400 ppm2=3.820
assign ( resid 104 and name H
or resid 214 and name H
)
( resid 104 and name HB3
or resid 215 and name HB#
) 3.7 0.7 0.7 volume=0.651 peak=1449 ppm1=8.402 ppm2=1.676
assign ( resid 94 and name H
)
( resid 93 and name HB2
) 3.4 0.7 0.7 volume=0.710 peak=1450 ppm1=8.438 ppm2=1.395
assign ( resid 104 and name H
)
( resid 103 and name HG2#
or resid 137 and name HD1#
or resid 137 and name HD2#
) 3.7 0.7 0.7 volume=1.354 peak=1451 ppm1=8.391 ppm2=1.229
assign ( resid 104 and name H
or resid 214 and name H
)
( resid 104 and name HD2#
or resid 213 and name HD1#
or resid 213 and name HD2#
) 3.4 0.7 0.7 volume=2.126 peak=1452 ppm1=8.398 ppm2=1.089
assign ( resid 104 and name H
)
( resid 104 and name HD1#
or resid 107 and name HG1#
) 3.6 0.7 0.7 volume=1.550 peak=1453 ppm1=8.392 ppm2=0.951
assign ( resid 105 and name H
)
( resid 104 and name H
or resid 107 and name H
) 3.3 0.7 0.7 volume=0.775 peak=1454 ppm1=8.217 ppm2=8.391
assign ( resid 105 and name H
)
( resid 105 and name HA
) 3.2 0.6 0.6 volume=1.083 peak=1455 ppm1=8.216 ppm2=4.285
assign ( resid 105 and name H
)
( resid 102 and name HA
or resid 104 and name HA
) 3.2 0.6 0.6 volume=1.023 peak=1456 ppm1=8.216 ppm2=4.008
assign ( resid 105 and name H
)
( resid 105 and name HB3
) 3.3 0.7 0.7 volume=0.846 peak=1457 ppm1=8.218 ppm2=2.959
assign ( resid 105 and name H
)
( resid 105 and name HB2
) 3.3 0.7 0.7 volume=0.840 peak=1458 ppm1=8.215 ppm2=2.769
assign ( resid 105 and name H
)
( resid 101 and name HB
) 3.7 0.7 0.7 volume=0.451 peak=1459 ppm1=8.218 ppm2=2.058
assign ( resid 105 and name H
)
( resid 137 and name HB3
) 4.1 0.8 0.8 volume=0.221 peak=1460 ppm1=8.225 ppm2=2.406
assign ( resid 105 and name H
)
( resid 104 and name HB3
) 3.3 0.7 0.7 volume=0.764 peak=1461 ppm1=8.215 ppm2=1.644
assign ( resid 105 and name H
)
( resid 108 and name HG2#
) 4.8 1.0 1.0 volume=0.255 peak=1462 ppm1=8.229 ppm2=1.512
assign ( resid 105 and name H
)
( resid 108 and name HG1#
) 4.9 1.0 1.0 volume=0.224 peak=1463 ppm1=8.219 ppm2=0.704
assign ( resid 106 and name H
)
( resid 106 and name HG2#
) 3.8 0.8 0.8 volume=1.154 peak=1464 ppm1=8.255 ppm2=1.323
assign ( resid 106 and name H
)
( resid 107 and name HG2#
) 4.0 0.8 0.8 volume=0.761 peak=1465 ppm1=8.256 ppm2=1.153
assign ( resid 106 and name H
)
( resid 102 and name HG2#
) 4.0 0.8 0.8 volume=0.830 peak=1466 ppm1=8.252 ppm2=1.015
assign ( resid 106 and name H
)
( resid 104 and name HB3
) 4.0 0.8 0.8 volume=0.263 peak=1467 ppm1=8.268 ppm2=1.672
assign ( resid 106 and name H
)
( resid 108 and name HG2#
) 4.7 0.9 0.9 volume=0.294 peak=1468 ppm1=8.251 ppm2=1.472
assign ( resid 106 and name H
)
( resid 105 and name HB2
) 3.7 0.7 0.7 volume=0.429 peak=1469 ppm1=8.254 ppm2=2.766
assign ( resid 106 and name H
)
( resid 105 and name HB3
) 3.6 0.7 0.7 volume=0.488 peak=1470 ppm1=8.255 ppm2=2.958
assign ( resid 106 and name H
)
( resid 105 and name HA
or resid 106 and name HA
) 3.2 0.6 0.6 volume=1.083 peak=1471 ppm1=8.252 ppm2=4.272
assign ( resid 106 and name H
)
( resid 103 and name HA
) 3.6 0.7 0.7 volume=0.504 peak=1472 ppm1=8.255 ppm2=3.934
assign ( resid 106 and name H
)
( resid 104 and name H
or resid 107 and name H
) 3.4 0.7 0.7 volume=0.674 peak=1473 ppm1=8.253 ppm2=8.351
assign ( resid 106 and name H
)
( resid 106 and name HB
) 3.2 0.6 0.6 volume=1.033 peak=1474 ppm1=8.255 ppm2=4.507
assign ( resid 195 and name H
)
( resid 194 and name HG1#
) 4.0 0.8 0.8 volume=0.745 peak=1475 ppm1=8.354 ppm2=0.441
assign ( resid 34 and name H
)
( resid 36 and name HD#
) 4.1 0.8 0.8 volume=0.425 peak=1476 ppm1=8.350 ppm2=6.714
assign ( resid 34 and name H
)
( resid 34 and name HA
) 3.2 0.6 0.6 volume=1.083 peak=1477 ppm1=8.347 ppm2=4.788
assign ( resid 34 and name H
)
( resid 31 and name HA
) 3.3 0.7 0.7 volume=0.830 peak=1478 ppm1=8.348 ppm2=4.720
assign ( resid 107 and name H
)
( resid 106 and name HB
) 3.3 0.7 0.7 volume=0.879 peak=1479 ppm1=8.347 ppm2=4.508
assign ( resid 107 and name H
or resid 195 and name H
)
( resid 104 and name HA
or resid 195 and name HA
) 2.9 0.6 0.6 volume=1.834 peak=1480 ppm1=8.352 ppm2=3.985
assign ( resid 195 and name H
)
( resid 194 and name HB
) 2.8 0.6 0.6 volume=2.451 peak=1481 ppm1=8.345 ppm2=1.912
assign ( resid 108 and name H
)
( resid 107 and name H
) 3.1 0.6 0.6 volume=1.105 peak=1482 ppm1=7.765 ppm2=8.355
assign ( resid 108 and name H
)
( resid 109 and name H
) 3.3 0.7 0.7 volume=0.782 peak=1483 ppm1=7.767 ppm2=7.573
assign ( resid 108 and name H
)
( resid 110 and name H
) 4.0 0.8 0.8 volume=0.243 peak=1484 ppm1=7.769 ppm2=9.016
assign ( resid 108 and name H
)
( resid 105 and name HA
or resid 106 and name HA
) 3.4 0.7 0.7 volume=0.703 peak=1485 ppm1=7.765 ppm2=4.283
assign ( resid 108 and name H
)
( resid 104 and name HA
) 3.7 0.7 0.7 volume=0.417 peak=1486 ppm1=7.774 ppm2=4.005
assign ( resid 108 and name H
)
( resid 107 and name HA
) 3.2 0.6 0.6 volume=1.018 peak=1487 ppm1=7.764 ppm2=3.507
assign ( resid 108 and name H
)
( resid 108 and name HA
) 3.2 0.6 0.6 volume=1.083 peak=1488 ppm1=7.765 ppm2=3.456
assign ( resid 108 and name H
)
( resid 108 and name HB
) 3.0 0.6 0.6 volume=1.407 peak=1489 ppm1=7.764 ppm2=2.709
assign ( resid 108 and name H
)
( resid 107 and name HB
) 3.2 0.6 0.6 volume=1.070 peak=1490 ppm1=7.765 ppm2=2.410
assign ( resid 108 and name H
)
( resid 107 and name HG2#
) 3.5 0.7 0.7 volume=1.761 peak=1491 ppm1=7.765 ppm2=1.154
assign ( resid 109 and name H
)
( resid 110 and name H
) 3.3 0.7 0.7 volume=0.767 peak=1492 ppm1=7.570 ppm2=8.995
assign ( resid 109 and name H
)
( resid 108 and name H
) 3.4 0.7 0.7 volume=0.716 peak=1493 ppm1=7.570 ppm2=7.767
assign ( resid 109 and name H
)
( resid 105 and name HA
or resid 106 and name HA
) 3.3 0.7 0.7 volume=0.839 peak=1494 ppm1=7.567 ppm2=4.289
assign ( resid 109 and name H
)
( resid 109 and name HA
) 3.2 0.6 0.6 volume=1.083 peak=1495 ppm1=7.571 ppm2=4.588
assign ( resid 109 and name H
)
( resid 108 and name HA
) 3.5 0.7 0.7 volume=0.625 peak=1496 ppm1=7.561 ppm2=3.442
assign ( resid 109 and name H
)
( resid 107 and name HA
) 3.7 0.7 0.7 volume=0.440 peak=1497 ppm1=7.579 ppm2=3.555
assign ( resid 109 and name H
)
( resid 108 and name HB
) 3.1 0.6 0.6 volume=1.290 peak=1498 ppm1=7.563 ppm2=2.695
assign ( resid 109 and name H
)
( resid 108 and name HG2#
or resid 109 and name HE#
) 3.5 0.7 0.7 volume=1.895 peak=1499 ppm1=7.568 ppm2=1.486
assign ( resid 109 and name H
)
( resid 107 and name HG2#
) 4.1 0.8 0.8 volume=0.669 peak=1500 ppm1=7.561 ppm2=1.150
assign ( resid 109 and name H
)
( resid 106 and name HG2#
) 4.3 0.9 0.9 volume=0.525 peak=1501 ppm1=7.573 ppm2=1.317
assign ( resid 109 and name H
)
( resid 108 and name HG1#
) 4.0 0.8 0.8 volume=0.842 peak=1502 ppm1=7.561 ppm2=0.747
assign ( resid 110 and name H
)
( resid 111 and name H
) 3.2 0.6 0.6 volume=0.995 peak=1503 ppm1=8.991 ppm2=8.690
assign ( resid 110 and name H
)
( resid 112 and name H
) 4.2 0.8 0.8 volume=0.193 peak=1504 ppm1=8.992 ppm2=8.295
assign ( resid 110 and name H
)
( resid 109 and name H
) 3.7 0.7 0.7 volume=0.416 peak=1505 ppm1=8.985 ppm2=7.578
assign ( resid 110 and name H
)
( resid 109 and name HA
) 3.7 0.7 0.7 volume=0.425 peak=1506 ppm1=8.988 ppm2=4.582
assign ( resid 110 and name H
)
( resid 106 and name HA
or resid 110 and name HA
) 3.2 0.6 0.6 volume=1.083 peak=1507 ppm1=8.992 ppm2=4.308
assign ( resid 110 and name H
)
( resid 107 and name HA
) 3.5 0.7 0.7 volume=0.544 peak=1508 ppm1=8.989 ppm2=3.539
assign ( resid 110 and name H
)
( resid 77 and name HG13
or resid 110 and name HB2
or resid 110 and name HG
) 2.8 0.6 0.6 volume=2.452 peak=1509 ppm1=8.990 ppm2=2.018
assign ( resid 110 and name H
)
( resid 110 and name HB3
or resid 111 and name HB#
) 3.1 0.6 0.6 volume=1.831 peak=1510 ppm1=8.989 ppm2=1.581
assign ( resid 110 and name H
)
( resid 106 and name HG2#
) 4.3 0.9 0.9 volume=0.493 peak=1511 ppm1=8.986 ppm2=1.335
assign ( resid 110 and name H
)
( resid 77 and name HG12
or resid 107 and name HG2#
) 3.9 0.8 0.8 volume=0.471 peak=1512 ppm1=8.992 ppm2=1.140
assign ( resid 110 and name H
)
( resid 110 and name HD1#
or resid 110 and name HD2#
) 3.3 0.7 0.7 volume=2.461 peak=1513 ppm1=8.989 ppm2=0.980
assign ( resid 112 and name H
)
( resid 108 and name HG1#
) 4.7 0.9 0.9 volume=0.281 peak=1514 ppm1=8.265 ppm2=0.763
assign ( resid 112 and name H
)
( resid 111 and name HB#
) 3.5 0.7 0.7 volume=1.867 peak=1515 ppm1=8.262 ppm2=1.594
assign ( resid 112 and name H
)
( resid 113 and name HB3
or resid 113 and name HB2
) 4.0 0.8 0.8 volume=0.247 peak=1516 ppm1=8.254 ppm2=3.336
assign ( resid 112 and name H
)
( resid 111 and name HA
) 3.1 0.6 0.6 volume=1.104 peak=1517 ppm1=8.263 ppm2=4.026
assign ( resid 112 and name H
)
( resid 108 and name HA
) 3.9 0.8 0.8 volume=0.295 peak=1518 ppm1=8.259 ppm2=3.479
assign ( resid 112 and name H
)
( resid 110 and name HA
) 4.1 0.8 0.8 volume=0.241 peak=1519 ppm1=8.257 ppm2=4.306
assign ( resid 112 and name H
)
( resid 109 and name HA
) 4.0 0.8 0.8 volume=0.260 peak=1520 ppm1=8.254 ppm2=4.585
assign ( resid 112 and name H
)
( resid 113 and name H
) 3.5 0.7 0.7 volume=0.580 peak=1521 ppm1=8.262 ppm2=8.138
assign ( resid 112 and name H
)
( resid 111 and name H
or resid 115 and name H
) 3.2 0.6 0.6 volume=1.017 peak=1522 ppm1=8.264 ppm2=8.691
assign ( resid 112 and name H
)
( resid 110 and name H
) 4.1 0.8 0.8 volume=0.210 peak=1523 ppm1=8.265 ppm2=9.013
assign ( resid 113 and name H
)
( resid 114 and name H
) 3.3 0.7 0.7 volume=0.892 peak=1524 ppm1=8.146 ppm2=8.892
assign ( resid 113 and name H
)
( resid 111 and name H
or resid 115 and name H
) 3.7 0.7 0.7 volume=0.410 peak=1525 ppm1=8.154 ppm2=8.693
assign ( resid 113 and name H
)
( resid 73 and name HD#
or resid 113 and name HD#
) 3.6 0.7 0.7 volume=1.035 peak=1526 ppm1=8.145 ppm2=7.050
assign ( resid 219 and name H
)
( resid 216 and name HA
) 4.0 0.8 0.8 volume=0.258 peak=1527 ppm1=8.048 ppm2=4.072
assign ( resid 219 and name H
)
( resid 215 and name HA
or resid 218 and name HB
) 3.4 0.7 0.7 volume=0.671 peak=1528 ppm1=8.048 ppm2=4.461
assign ( resid 219 and name H
)
( resid 217 and name HA
or resid 218 and name HA
or resid 219 and name HA
) 3.2 0.6 0.6 volume=1.083 peak=1529 ppm1=8.048 ppm2=4.276
assign ( resid 212 and name H
)
( resid 212 and name HA
) 3.2 0.6 0.6 volume=1.083 peak=1530 ppm1=7.828 ppm2=4.169
assign ( resid 113 and name H
)
( resid 111 and name HA
) 3.5 0.7 0.7 volume=0.627 peak=1531 ppm1=8.144 ppm2=4.011
assign ( resid 113 and name H
)
( resid 113 and name HA
) 3.2 0.6 0.6 volume=1.083 peak=1532 ppm1=8.145 ppm2=3.801
assign ( resid 113 and name H
)
( resid 73 and name HB2
) 3.8 0.8 0.8 volume=0.370 peak=1533 ppm1=8.146 ppm2=3.538
assign ( resid 113 and name H
)
( resid 113 and name HB3
or resid 113 and name HB2
) 3.0 0.6 0.6 volume=1.366 peak=1534 ppm1=8.145 ppm2=3.357
assign ( resid 113 and name H
)
( resid 73 and name HB3
) 3.9 0.8 0.8 volume=0.301 peak=1535 ppm1=8.149 ppm2=2.483
assign ( resid 113 and name H
)
( resid 114 and name HB#
) 3.9 0.8 0.8 volume=0.941 peak=1536 ppm1=8.147 ppm2=1.433
assign ( resid 113 and name H
)
( resid 110 and name HD1#
or resid 110 and name HD2#
) 4.0 0.8 0.8 volume=0.831 peak=1537 ppm1=8.149 ppm2=1.003
assign ( resid 114 and name H
)
( resid 113 and name HD#
) 4.1 0.8 0.8 volume=0.440 peak=1538 ppm1=8.884 ppm2=7.043
assign ( resid 114 and name H
)
( resid 111 and name H
or resid 115 and name H
) 3.5 0.7 0.7 volume=0.627 peak=1539 ppm1=8.886 ppm2=8.692
assign ( resid 114 and name H
)
( resid 112 and name H
) 3.7 0.7 0.7 volume=0.442 peak=1540 ppm1=8.889 ppm2=8.283
assign ( resid 114 and name H
)
( resid 113 and name H
) 3.4 0.7 0.7 volume=0.690 peak=1541 ppm1=8.885 ppm2=8.150
assign ( resid 114 and name H
)
( resid 110 and name HA
) 3.7 0.7 0.7 volume=0.395 peak=1542 ppm1=8.886 ppm2=4.317
assign ( resid 114 and name H
)
( resid 111 and name HA
or resid 115 and name HA2
or resid 115 and name HA3
) 3.5 0.7 0.7 volume=0.547 peak=1543 ppm1=8.881 ppm2=3.997
assign ( resid 114 and name H
)
( resid 113 and name HA
) 3.7 0.7 0.7 volume=0.414 peak=1544 ppm1=8.884 ppm2=3.798
assign ( resid 114 and name H
)
( resid 114 and name HA
) 3.2 0.6 0.6 volume=1.083 peak=1545 ppm1=8.886 ppm2=3.630
assign ( resid 114 and name H
)
( resid 113 and name HB3
or resid 113 and name HB2
) 3.3 0.7 0.7 volume=0.811 peak=1546 ppm1=8.884 ppm2=3.348
assign ( resid 114 and name H
)
( resid 110 and name HG
) 4.3 0.9 0.9 volume=0.166 peak=1547 ppm1=8.897 ppm2=2.043
assign ( resid 114 and name H
)
( resid 114 and name HB#
) 3.3 0.7 0.7 volume=2.664 peak=1548 ppm1=8.885 ppm2=1.431
assign ( resid 114 and name H
)
( resid 110 and name HD1#
or resid 110 and name HD2#
or resid 126 and name HD1#
or resid 126 and name HD2#
) 3.9 0.8 0.8 volume=0.985 peak=1549 ppm1=8.885 ppm2=0.993
assign ( resid 115 and name H
)
( resid 114 and name H
) 3.8 0.8 0.8 volume=0.336 peak=1550 ppm1=8.689 ppm2=8.897
assign ( resid 115 and name H
)
( resid 112 and name H
) 4.6 0.9 0.9 volume=0.109 peak=1551 ppm1=8.689 ppm2=8.267
assign ( resid 115 and name H
)
( resid 113 and name H
) 4.4 0.9 0.9 volume=0.156 peak=1552 ppm1=8.687 ppm2=8.133
assign ( resid 115 and name H
)
( resid 116 and name H
) 3.6 0.7 0.7 volume=0.483 peak=1553 ppm1=8.692 ppm2=7.966
assign ( resid 115 and name H
)
( resid 111 and name HA
or resid 115 and name HA2
or resid 115 and name HA3
) 3.2 0.6 0.6 volume=1.083 peak=1554 ppm1=8.689 ppm2=3.979
assign ( resid 115 and name H
)
( resid 114 and name HA
) 3.6 0.7 0.7 volume=0.470 peak=1555 ppm1=8.691 ppm2=3.631
assign ( resid 115 and name H
)
( resid 113 and name HB3
or resid 113 and name HB2
) 4.3 0.9 0.9 volume=0.174 peak=1556 ppm1=8.694 ppm2=3.319
assign ( resid 115 and name H
)
( resid 126 and name HB3
) 3.9 0.8 0.8 volume=0.312 peak=1557 ppm1=8.692 ppm2=2.168
assign ( resid 115 and name H
)
( resid 111 and name HB#
or resid 116 and name HB#
) 4.4 0.9 0.9 volume=0.431 peak=1558 ppm1=8.691 ppm2=1.603
assign ( resid 115 and name H
)
( resid 114 and name HB#
) 3.8 0.8 0.8 volume=1.101 peak=1559 ppm1=8.690 ppm2=1.430
assign ( resid 115 and name H
)
( resid 118 and name HG1#
or resid 118 and name HG2#
) 4.4 0.9 0.9 volume=0.448 peak=1560 ppm1=8.692 ppm2=1.137
assign ( resid 115 and name H
)
( resid 126 and name HD1#
or resid 126 and name HD2#
) 3.8 0.8 0.8 volume=1.052 peak=1561 ppm1=8.690 ppm2=0.995
assign ( resid 133 and name H
or resid 215 and name H
)
( resid 108 and name HG2#
or resid 135 and name HG12
or resid 212 and name HB#
) 3.3 0.7 0.7 volume=1.597 peak=1562 ppm1=7.949 ppm2=1.451
assign ( resid 133 and name H
or resid 215 and name H
)
( resid 133 and name HB#
or resid 159 and name HG
or resid 215 and name HB#
or resid 216 and name HB#
) 3.0 0.6 0.6 volume=2.891 peak=1563 ppm1=7.945 ppm2=1.672
assign ( resid 116 and name H
or resid 133 and name H
or resid 215 and name H
)
( resid 116 and name HA
or resid 129 and name HA
or resid 133 and name HA
or resid 213 and name HA
) 3.2 0.6 0.6 volume=1.083 peak=1564 ppm1=7.958 ppm2=4.102
assign ( resid 215 and name H
)
( resid 214 and name HA
) 3.5 0.7 0.7 volume=0.574 peak=1565 ppm1=7.938 ppm2=4.579
assign ( resid 215 and name H
)
( resid 215 and name HA
) 3.2 0.6 0.6 volume=1.083 peak=1566 ppm1=7.937 ppm2=4.429
assign ( resid 116 and name H
)
( resid 117 and name H
or resid 178 and name HZ2
) 3.6 0.7 0.7 volume=0.501 peak=1567 ppm1=7.956 ppm2=7.293
assign ( resid 133 and name H
)
( resid 132 and name H
) 2.9 0.6 0.6 volume=1.796 peak=1568 ppm1=7.958 ppm2=8.082
assign ( resid 215 and name H
)
( resid 214 and name H
) 3.5 0.7 0.7 volume=0.615 peak=1569 ppm1=7.937 ppm2=8.414
assign ( resid 215 and name H
)
( resid 216 and name H
or resid 217 and name H
) 3.3 0.7 0.7 volume=0.775 peak=1570 ppm1=7.938 ppm2=8.257
assign ( resid 116 and name H
)
( resid 115 and name H
) 3.8 0.8 0.8 volume=0.352 peak=1571 ppm1=7.953 ppm2=8.694
assign ( resid 133 and name H
)
( resid 134 and name H
) 3.2 0.6 0.6 volume=0.914 peak=1572 ppm1=7.960 ppm2=8.547
assign ( resid 117 and name H
)
( resid 115 and name H
) 3.8 0.8 0.8 volume=0.343 peak=1573 ppm1=7.302 ppm2=8.698
assign ( resid 117 and name H
)
( resid 116 and name H
) 3.0 0.6 0.6 volume=1.398 peak=1574 ppm1=7.302 ppm2=7.958
assign ( resid 117 and name H
)
( resid 117 and name HA
) 3.2 0.6 0.6 volume=1.083 peak=1575 ppm1=7.303 ppm2=4.673
assign ( resid 117 and name H
)
( resid 116 and name HA
) 3.3 0.7 0.7 volume=0.821 peak=1576 ppm1=7.308 ppm2=4.133
assign ( resid 117 and name H
)
( resid 115 and name HA2
or resid 115 and name HA3
) 3.6 0.7 0.7 volume=0.472 peak=1577 ppm1=7.305 ppm2=3.980
assign ( resid 117 and name H
)
( resid 114 and name HA
) 3.2 0.6 0.6 volume=1.044 peak=1578 ppm1=7.304 ppm2=3.628
assign ( resid 117 and name H
)
( resid 117 and name HE#
) 3.7 0.7 0.7 volume=1.247 peak=1579 ppm1=7.303 ppm2=1.943
assign ( resid 117 and name H
)
( resid 116 and name HB#
) 3.5 0.7 0.7 volume=1.898 peak=1580 ppm1=7.302 ppm2=1.612
assign ( resid 117 and name H
)
( resid 114 and name HB#
) 3.7 0.7 0.7 volume=1.169 peak=1581 ppm1=7.303 ppm2=1.430
assign ( resid 117 and name H
)
( resid 118 and name HG1#
or resid 118 and name HG2#
) 3.5 0.7 0.7 volume=1.716 peak=1582 ppm1=7.304 ppm2=1.110
assign ( resid 117 and name H
)
( resid 63 and name HG2#
or resid 68 and name HG1#
or resid 68 and name HG2#
or resid 126 and name HD1#
or resid 126 and name HD2#
) 3.5 0.7 0.7 volume=1.666 peak=1583 ppm1=7.303 ppm2=1.028
assign ( resid 117 and name H
)
( resid 63 and name HG1#
) 4.8 1.0 1.0 volume=0.261 peak=1584 ppm1=7.311 ppm2=0.816
assign ( resid 120 and name H
)
( resid 121 and name H
) 3.8 0.8 0.8 volume=0.344 peak=1585 ppm1=7.972 ppm2=8.698
assign ( resid 136 and name H
)
( resid 134 and name H
or resid 137 and name H
) 3.5 0.7 0.7 volume=0.584 peak=1586 ppm1=7.985 ppm2=8.527
assign ( resid 136 and name H
)
( resid 135 and name H
) 3.6 0.7 0.7 volume=0.467 peak=1587 ppm1=7.981 ppm2=8.200
assign ( resid 136 and name H
)
( resid 136 and name HA2
) 3.2 0.6 0.6 volume=0.956 peak=1588 ppm1=7.984 ppm2=3.967
assign ( resid 136 and name H
)
( resid 133 and name HA
) 3.4 0.7 0.7 volume=0.750 peak=1589 ppm1=7.976 ppm2=4.046
assign ( resid 120 and name H
)
( resid 118 and name HA
or resid 120 and name HA3
) 3.2 0.6 0.6 volume=0.927 peak=1590 ppm1=7.971 ppm2=4.556
assign ( resid 120 and name H
)
( resid 120 and name HA2
) 3.2 0.6 0.6 volume=1.083 peak=1591 ppm1=7.971 ppm2=4.312
assign ( resid 136 and name H
)
( resid 132 and name HA
or resid 136 and name HA3
) 3.2 0.6 0.6 volume=1.083 peak=1592 ppm1=7.986 ppm2=3.693
assign ( resid 136 and name H
)
( resid 135 and name HB
) 2.9 0.6 0.6 volume=1.826 peak=1593 ppm1=7.972 ppm2=2.335
assign ( resid 136 and name H
)
( resid 135 and name HG12
) 3.8 0.8 0.8 volume=0.351 peak=1594 ppm1=7.981 ppm2=1.477
assign ( resid 120 and name H
or resid 136 and name H
)
( resid 133 and name HB#
) 5.0 1.0 1.0 volume=0.201 peak=1595 ppm1=7.977 ppm2=1.669
assign ( resid 120 and name H
)
( resid 118 and name HG1#
or resid 118 and name HG2#
) 3.8 0.8 0.8 volume=0.991 peak=1596 ppm1=7.971 ppm2=1.141
assign ( resid 120 and name H
)
( resid 122 and name H
) 4.9 1.0 1.0 volume=0.077 peak=1597 ppm1=7.973 ppm2=10.455
assign ( resid 121 and name H
)
( resid 123 and name H
) 4.8 1.0 1.0 volume=0.090 peak=1598 ppm1=8.683 ppm2=8.243
assign ( resid 121 and name H
)
( resid 122 and name H
) 3.9 0.8 0.8 volume=0.286 peak=1599 ppm1=8.691 ppm2=10.462
assign ( resid 123 and name H
)
( resid 122 and name H
) 3.8 0.8 0.8 volume=0.365 peak=1600 ppm1=8.257 ppm2=10.462
assign ( resid 121 and name H
)
( resid 124 and name HD#
) 5.4 1.1 1.1 volume=0.088 peak=1601 ppm1=8.684 ppm2=7.421
assign ( resid 121 and name H
)
( resid 120 and name HA2
or resid 121 and name HA
) 3.2 0.6 0.6 volume=1.083 peak=1602 ppm1=8.689 ppm2=4.305
assign ( resid 121 and name H
)
( resid 121 and name HB
) 3.3 0.7 0.7 volume=0.778 peak=1603 ppm1=8.690 ppm2=2.329
assign ( resid 122 and name H
)
( resid 121 and name H
) 3.5 0.7 0.7 volume=0.561 peak=1604 ppm1=10.461 ppm2=8.695
assign ( resid 122 and name H
)
( resid 123 and name H
or resid 124 and name H
) 3.7 0.7 0.7 volume=0.428 peak=1605 ppm1=10.463 ppm2=8.259
assign ( resid 122 and name H
)
( resid 120 and name H
) 4.2 0.8 0.8 volume=0.204 peak=1606 ppm1=10.462 ppm2=7.982
assign ( resid 122 and name H
)
( resid 124 and name HD#
) 5.1 1.0 1.0 volume=0.120 peak=1607 ppm1=10.462 ppm2=7.419
assign ( resid 122 and name H
)
( resid 120 and name HA3
) 3.7 0.7 0.7 volume=0.427 peak=1608 ppm1=10.463 ppm2=4.555
assign ( resid 122 and name H
)
( resid 120 and name HA2
or resid 122 and name HA
) 3.2 0.6 0.6 volume=1.083 peak=1609 ppm1=10.462 ppm2=4.231
assign ( resid 122 and name H
)
( resid 122 and name HG3
) 3.5 0.7 0.7 volume=0.600 peak=1610 ppm1=10.461 ppm2=2.579
assign ( resid 122 and name H
)
( resid 122 and name HG2
) 3.5 0.7 0.7 volume=0.612 peak=1611 ppm1=10.462 ppm2=2.453
assign ( resid 122 and name H
)
( resid 121 and name HB
) 3.6 0.7 0.7 volume=0.463 peak=1612 ppm1=10.462 ppm2=2.320
assign ( resid 122 and name H
)
( resid 122 and name HB3
or resid 122 and name HB2
) 3.0 0.6 0.6 volume=1.368 peak=1613 ppm1=10.462 ppm2=2.174
assign ( resid 122 and name H
)
( resid 121 and name HG12
) 3.9 0.8 0.8 volume=0.304 peak=1614 ppm1=10.463 ppm2=1.852
assign ( resid 122 and name H
)
( resid 121 and name HG13
) 3.5 0.7 0.7 volume=0.571 peak=1615 ppm1=10.463 ppm2=1.715
assign ( resid 122 and name H
)
( resid 121 and name HG2#
) 3.8 0.8 0.8 volume=1.015 peak=1616 ppm1=10.460 ppm2=1.306
assign ( resid 122 and name H
)
( resid 118 and name HG1#
or resid 118 and name HG2#
) 4.2 0.8 0.8 volume=0.566 peak=1617 ppm1=10.463 ppm2=1.147
assign ( resid 123 and name H
)
( resid 121 and name H
) 4.3 0.9 0.9 volume=0.176 peak=1618 ppm1=8.264 ppm2=8.696
assign ( resid 193 and name H
)
( resid 192 and name H
) 3.4 0.7 0.7 volume=0.648 peak=1619 ppm1=8.207 ppm2=7.256
assign ( resid 125 and name H
)
( resid 124 and name H
) 3.4 0.7 0.7 volume=0.702 peak=1620 ppm1=7.986 ppm2=8.199
assign ( resid 126 and name H
)
( resid 125 and name H
or resid 129 and name H
) 3.0 0.6 0.6 volume=1.383 peak=1621 ppm1=7.221 ppm2=8.002
assign ( resid 126 and name H
)
( resid 123 and name H
or resid 124 and name H
) 4.0 0.8 0.8 volume=0.278 peak=1622 ppm1=7.209 ppm2=8.244
assign ( resid 126 and name H
)
( resid 128 and name H
) 4.0 0.8 0.8 volume=0.255 peak=1623 ppm1=7.232 ppm2=8.573
assign ( resid 126 and name H
)
( resid 123 and name HA
or resid 125 and name HA
) 3.2 0.6 0.6 volume=1.007 peak=1624 ppm1=7.222 ppm2=4.337
assign ( resid 126 and name H
)
( resid 124 and name HA
or resid 126 and name HA
) 3.2 0.6 0.6 volume=1.083 peak=1625 ppm1=7.220 ppm2=4.164
assign ( resid 126 and name H
)
( resid 124 and name HB2
or resid 127 and name HB3
) 3.9 0.8 0.8 volume=0.321 peak=1626 ppm1=7.219 ppm2=3.166
assign ( resid 126 and name H
)
( resid 124 and name HB3
) 3.9 0.8 0.8 volume=0.297 peak=1627 ppm1=7.207 ppm2=3.277
assign ( resid 126 and name H
)
( resid 122 and name HB3
or resid 122 and name HB2
or resid 126 and name HG
or resid 126 and name HB3
) 3.1 0.6 0.6 volume=1.197 peak=1628 ppm1=7.220 ppm2=2.173
assign ( resid 126 and name H
)
( resid 125 and name HB#
) 3.4 0.7 0.7 volume=2.261 peak=1629 ppm1=7.221 ppm2=1.717
assign ( resid 126 and name H
)
( resid 127 and name HB2
) 4.0 0.8 0.8 volume=0.247 peak=1630 ppm1=7.231 ppm2=2.551
assign ( resid 127 and name H
)
( resid 128 and name H
) 3.6 0.7 0.7 volume=0.469 peak=1631 ppm1=8.071 ppm2=8.576
assign ( resid 127 and name H
)
( resid 124 and name HD#
) 4.5 0.9 0.9 volume=0.253 peak=1632 ppm1=8.081 ppm2=7.421
assign ( resid 127 and name H
)
( resid 126 and name H
) 3.3 0.7 0.7 volume=0.790 peak=1633 ppm1=8.069 ppm2=7.226
assign ( resid 127 and name H
)
( resid 127 and name HD#
) 3.7 0.7 0.7 volume=0.798 peak=1634 ppm1=8.070 ppm2=6.483
assign ( resid 128 and name H
)
( resid 127 and name HD#
) 4.0 0.8 0.8 volume=0.488 peak=1635 ppm1=8.564 ppm2=6.479
assign ( resid 127 and name H
)
( resid 124 and name HA
or resid 126 and name HA
) 3.6 0.7 0.7 volume=0.467 peak=1636 ppm1=8.073 ppm2=4.154
assign ( resid 127 and name H
)
( resid 115 and name HA2
or resid 115 and name HA3
) 4.0 0.8 0.8 volume=0.246 peak=1637 ppm1=8.073 ppm2=4.006
assign ( resid 127 and name H
)
( resid 127 and name HA
or resid 128 and name HA3
) 3.2 0.6 0.6 volume=1.083 peak=1638 ppm1=8.071 ppm2=3.553
assign ( resid 127 and name H
)
( resid 127 and name HB3
) 3.4 0.7 0.7 volume=0.720 peak=1639 ppm1=8.070 ppm2=3.191
assign ( resid 127 and name H
)
( resid 127 and name HB2
) 3.4 0.7 0.7 volume=0.691 peak=1640 ppm1=8.071 ppm2=2.574
assign ( resid 127 and name H
)
( resid 126 and name HG
or resid 126 and name HB3
) 3.6 0.7 0.7 volume=0.462 peak=1641 ppm1=8.070 ppm2=2.185
assign ( resid 187 and name H
)
( resid 187 and name HD2#
or resid 187 and name HD1#
or resid 188 and name HD1#
) 3.7 0.7 0.7 volume=1.174 peak=1642 ppm1=8.031 ppm2=1.067
assign ( resid 127 and name H
)
( resid 126 and name HD1#
or resid 126 and name HD2#
) 3.8 0.8 0.8 volume=1.091 peak=1643 ppm1=8.070 ppm2=1.003
assign ( resid 127 and name H
)
( resid 128 and name HA2
) 4.0 0.8 0.8 volume=0.270 peak=1644 ppm1=8.070 ppm2=3.711
assign ( resid 127 and name H
)
( resid 123 and name HA
or resid 125 and name HA
) 3.6 0.7 0.7 volume=0.465 peak=1645 ppm1=8.073 ppm2=4.330
assign ( resid 128 and name H
)
( resid 131 and name H
) 4.5 0.9 0.9 volume=0.135 peak=1646 ppm1=8.570 ppm2=8.730
assign ( resid 128 and name H
)
( resid 127 and name H
or resid 129 and name H
or resid 130 and name H
) 3.3 0.7 0.7 volume=0.778 peak=1647 ppm1=8.566 ppm2=8.065
assign ( resid 128 and name H
)
( resid 126 and name H
) 4.1 0.8 0.8 volume=0.219 peak=1648 ppm1=8.570 ppm2=7.219
assign ( resid 128 and name H
)
( resid 125 and name HA
) 3.8 0.8 0.8 volume=0.369 peak=1649 ppm1=8.568 ppm2=4.347
assign ( resid 128 and name H
)
( resid 128 and name HA2
) 3.3 0.7 0.7 volume=0.798 peak=1650 ppm1=8.566 ppm2=3.718
assign ( resid 128 and name H
)
( resid 127 and name HA
or resid 128 and name HA3
) 3.2 0.6 0.6 volume=1.083 peak=1651 ppm1=8.567 ppm2=3.569
assign ( resid 128 and name H
)
( resid 124 and name HB2
or resid 127 and name HB3
) 3.9 0.8 0.8 volume=0.321 peak=1652 ppm1=8.561 ppm2=3.193
assign ( resid 128 and name H
)
( resid 127 and name HB2
) 4.0 0.8 0.8 volume=0.269 peak=1653 ppm1=8.567 ppm2=2.569
assign ( resid 128 and name H
)
( resid 126 and name HB3
) 4.3 0.9 0.9 volume=0.174 peak=1654 ppm1=8.573 ppm2=2.190
assign ( resid 128 and name H
)
( resid 125 and name HB#
) 4.6 0.9 0.9 volume=0.327 peak=1655 ppm1=8.571 ppm2=1.716
assign ( resid 129 and name H
)
( resid 131 and name H
) 4.4 0.9 0.9 volume=0.153 peak=1656 ppm1=8.049 ppm2=8.724
assign ( resid 129 and name H
)
( resid 128 and name H
) 3.7 0.7 0.7 volume=0.443 peak=1657 ppm1=8.046 ppm2=8.575
assign ( resid 186 and name H
)
( resid 185 and name H
) 3.9 0.8 0.8 volume=0.304 peak=1658 ppm1=8.024 ppm2=9.129
assign ( resid 186 and name H
)
( resid 184 and name H
) 4.1 0.8 0.8 volume=0.217 peak=1659 ppm1=8.023 ppm2=7.183
assign ( resid 186 and name H
)
( resid 180 and name HA
) 4.4 0.9 0.9 volume=0.140 peak=1660 ppm1=8.020 ppm2=4.627
assign ( resid 186 and name H
)
( resid 184 and name HA2
or resid 185 and name HA
) 3.3 0.7 0.7 volume=0.861 peak=1661 ppm1=8.025 ppm2=4.304
assign ( resid 129 and name H
or resid 186 and name H
)
( resid 129 and name HA
or resid 184 and name HA3
) 3.2 0.6 0.6 volume=1.083 peak=1662 ppm1=8.044 ppm2=4.107
assign ( resid 129 and name H
)
( resid 128 and name HA2
) 3.6 0.7 0.7 volume=0.492 peak=1663 ppm1=8.044 ppm2=3.724
assign ( resid 129 and name H
)
( resid 127 and name HA
or resid 128 and name HA3
) 3.6 0.7 0.7 volume=0.502 peak=1664 ppm1=8.044 ppm2=3.559
assign ( resid 186 and name H
)
( resid 186 and name HA
) 3.2 0.6 0.6 volume=1.083 peak=1665 ppm1=8.028 ppm2=3.463
assign ( resid 186 and name H
)
( resid 186 and name HB#
) 3.6 0.7 0.7 volume=1.371 peak=1666 ppm1=8.026 ppm2=1.511
assign ( resid 186 and name H
)
( resid 185 and name HG1#
or resid 185 and name HG2#
) 4.1 0.8 0.8 volume=0.635 peak=1667 ppm1=8.028 ppm2=1.268
assign ( resid 130 and name H
)
( resid 131 and name H
) 3.3 0.7 0.7 volume=0.862 peak=1668 ppm1=8.083 ppm2=8.729
assign ( resid 130 and name H
)
( resid 128 and name H
) 4.0 0.8 0.8 volume=0.246 peak=1669 ppm1=8.085 ppm2=8.570
assign ( resid 130 and name H
)
( resid 129 and name HA
) 3.4 0.7 0.7 volume=0.690 peak=1670 ppm1=8.086 ppm2=4.097
assign ( resid 130 and name H
)
( resid 128 and name HA2
) 3.2 0.6 0.6 volume=1.009 peak=1671 ppm1=8.084 ppm2=3.751
assign ( resid 130 and name H
)
( resid 108 and name HA
) 3.0 0.6 0.6 volume=1.356 peak=1672 ppm1=8.086 ppm2=3.458
assign ( resid 130 and name H
)
( resid 129 and name HG2
) 4.0 0.8 0.8 volume=0.269 peak=1673 ppm1=8.086 ppm2=2.655
assign ( resid 130 and name H
)
( resid 129 and name HG3
) 4.0 0.8 0.8 volume=0.274 peak=1674 ppm1=8.087 ppm2=2.523
assign ( resid 130 and name H
)
( resid 111 and name HB#
) 3.6 0.7 0.7 volume=1.544 peak=1675 ppm1=8.087 ppm2=1.593
assign ( resid 130 and name H
)
( resid 131 and name HB#
) 4.1 0.8 0.8 volume=0.691 peak=1676 ppm1=8.088 ppm2=1.212
assign ( resid 130 and name H
)
( resid 108 and name HG1#
) 5.0 1.0 1.0 volume=0.216 peak=1677 ppm1=8.086 ppm2=0.760
assign ( resid 131 and name H
)
( resid 128 and name H
or resid 134 and name H
) 3.8 0.8 0.8 volume=0.382 peak=1678 ppm1=8.726 ppm2=8.572
assign ( resid 131 and name H
)
( resid 132 and name HB
) 3.5 0.7 0.7 volume=0.571 peak=1679 ppm1=8.726 ppm2=2.293
assign ( resid 131 and name H
)
( resid 131 and name HB#
or resid 132 and name HG1#
) 3.1 0.6 0.6 volume=3.928 peak=1680 ppm1=8.727 ppm2=1.222
assign ( resid 132 and name H
)
( resid 131 and name H
) 3.5 0.7 0.7 volume=0.636 peak=1681 ppm1=8.083 ppm2=8.734
assign ( resid 132 and name H
)
( resid 134 and name H
) 3.9 0.8 0.8 volume=0.289 peak=1682 ppm1=8.079 ppm2=8.560
assign ( resid 132 and name H
)
( resid 133 and name H
) 3.3 0.7 0.7 volume=0.909 peak=1683 ppm1=8.082 ppm2=7.965
assign ( resid 132 and name H
)
( resid 129 and name HA
) 3.3 0.7 0.7 volume=0.851 peak=1684 ppm1=8.083 ppm2=4.086
assign ( resid 132 and name H
)
( resid 128 and name HA2
or resid 132 and name HA
) 3.2 0.6 0.6 volume=1.083 peak=1685 ppm1=8.082 ppm2=3.733
assign ( resid 132 and name H
)
( resid 128 and name HA3
) 4.1 0.8 0.8 volume=0.230 peak=1686 ppm1=8.082 ppm2=3.576
assign ( resid 132 and name H
)
( resid 132 and name HB
) 3.0 0.6 0.6 volume=1.542 peak=1687 ppm1=8.083 ppm2=2.302
assign ( resid 132 and name H
)
( resid 133 and name HB#
) 4.2 0.8 0.8 volume=0.594 peak=1688 ppm1=8.083 ppm2=1.672
assign ( resid 132 and name H
)
( resid 131 and name HB#
or resid 132 and name HG1#
) 3.2 0.6 0.6 volume=3.062 peak=1689 ppm1=8.083 ppm2=1.190
assign ( resid 132 and name H
)
( resid 132 and name HG2#
) 3.5 0.7 0.7 volume=1.788 peak=1690 ppm1=8.082 ppm2=1.022
assign ( resid 215 and name H
)
( resid 213 and name HB2
) 4.3 0.9 0.9 volume=0.170 peak=1691 ppm1=7.940 ppm2=1.846
assign ( resid 215 and name H
)
( resid 214 and name HB3
or resid 214 and name HB2
) 3.3 0.7 0.7 volume=0.877 peak=1692 ppm1=7.937 ppm2=2.839
assign ( resid 116 and name H
or resid 133 and name H
or resid 215 and name H
)
( resid 104 and name HD1#
or resid 126 and name HD1#
or resid 126 and name HD2#
or resid 132 and name HG2#
or resid 159 and name HD1#
) 3.6 0.7 0.7 volume=1.420 peak=1693 ppm1=7.955 ppm2=1.016
assign ( resid 215 and name H
)
( resid 211 and name HG2#
or resid 219 and name HD1#
or resid 219 and name HD2#
) 4.7 0.9 0.9 volume=0.294 peak=1694 ppm1=7.939 ppm2=0.867
assign ( resid 133 and name H
)
( resid 107 and name HG2#
or resid 131 and name HB#
or resid 132 and name HG1#
) 3.3 0.7 0.7 volume=2.657 peak=1695 ppm1=7.960 ppm2=1.175
assign ( resid 133 and name H
)
( resid 132 and name HB
) 2.8 0.6 0.6 volume=2.118 peak=1696 ppm1=7.959 ppm2=2.299
assign ( resid 116 and name H
or resid 133 and name H
)
( resid 115 and name HA2
or resid 115 and name HA3
or resid 131 and name HA
) 3.8 0.8 0.8 volume=0.376 peak=1697 ppm1=7.957 ppm2=3.992
assign ( resid 116 and name H
or resid 133 and name H
)
( resid 113 and name HA
or resid 132 and name HA
) 3.9 0.8 0.8 volume=0.317 peak=1698 ppm1=7.958 ppm2=3.753
assign ( resid 116 and name H
)
( resid 114 and name HA
) 4.3 0.9 0.9 volume=0.162 peak=1699 ppm1=7.954 ppm2=3.588
assign ( resid 116 and name H
or resid 133 and name H
or resid 215 and name H
)
( resid 134 and name HB3
or resid 134 and name HB2
) 4.0 0.8 0.8 volume=0.264 peak=1700 ppm1=7.961 ppm2=3.471
assign ( resid 202 and name H
)
( resid 201 and name H
) 3.6 0.7 0.7 volume=0.497 peak=1701 ppm1=8.488 ppm2=9.714
assign ( resid 134 and name H
)
( resid 135 and name H
) 3.2 0.6 0.6 volume=1.022 peak=1702 ppm1=8.536 ppm2=8.193
assign ( resid 134 and name H
)
( resid 133 and name H
or resid 136 and name H
) 3.1 0.6 0.6 volume=1.329 peak=1703 ppm1=8.539 ppm2=7.980
assign ( resid 134 and name H
)
( resid 131 and name H
) 3.5 0.7 0.7 volume=0.556 peak=1704 ppm1=8.546 ppm2=8.694
assign ( resid 134 and name H
)
( resid 134 and name HD#
) 3.4 0.7 0.7 volume=1.482 peak=1705 ppm1=8.543 ppm2=7.331
assign ( resid 134 and name H
)
( resid 134 and name HA
) 3.2 0.6 0.6 volume=1.083 peak=1706 ppm1=8.538 ppm2=4.382
assign ( resid 134 and name H
)
( resid 133 and name HA
) 3.0 0.6 0.6 volume=1.404 peak=1707 ppm1=8.544 ppm2=4.070
assign ( resid 134 and name H
)
( resid 132 and name HA
) 3.3 0.7 0.7 volume=0.867 peak=1708 ppm1=8.545 ppm2=3.726
assign ( resid 134 and name H
)
( resid 134 and name HB3
or resid 134 and name HB2
) 2.9 0.6 0.6 volume=1.994 peak=1709 ppm1=8.543 ppm2=3.509
assign ( resid 134 and name H
)
( resid 132 and name HB
) 3.2 0.6 0.6 volume=0.976 peak=1710 ppm1=8.539 ppm2=2.342
assign ( resid 134 and name H
)
( resid 135 and name HG13
) 3.5 0.7 0.7 volume=0.582 peak=1711 ppm1=8.536 ppm2=2.126
assign ( resid 134 and name H
)
( resid 108 and name HG2#
or resid 135 and name HG12
) 2.9 0.6 0.6 volume=2.544 peak=1712 ppm1=8.542 ppm2=1.507
assign ( resid 134 and name H
)
( resid 133 and name HB#
) 3.3 0.7 0.7 volume=2.455 peak=1713 ppm1=8.545 ppm2=1.667
assign ( resid 134 and name H
)
( resid 132 and name HG1#
) 3.4 0.7 0.7 volume=2.027 peak=1714 ppm1=8.544 ppm2=1.207
assign ( resid 134 and name H
)
( resid 104 and name HD1#
or resid 104 and name HD2#
or resid 135 and name HG2#
) 3.4 0.7 0.7 volume=2.249 peak=1715 ppm1=8.545 ppm2=1.027
assign ( resid 134 and name H
)
( resid 108 and name HG1#
) 4.1 0.8 0.8 volume=0.730 peak=1716 ppm1=8.547 ppm2=0.762
assign ( resid 135 and name H
)
( resid 134 and name HD#
) 4.2 0.8 0.8 volume=0.387 peak=1717 ppm1=8.193 ppm2=7.325
assign ( resid 135 and name H
)
( resid 134 and name HA
) 3.9 0.8 0.8 volume=0.284 peak=1718 ppm1=8.196 ppm2=4.379
assign ( resid 135 and name H
)
( resid 131 and name HA
or resid 133 and name HA
) 3.8 0.8 0.8 volume=0.335 peak=1719 ppm1=8.195 ppm2=4.052
assign ( resid 135 and name H
)
( resid 131 and name HA
or resid 136 and name HA2
) 3.8 0.8 0.8 volume=0.333 peak=1720 ppm1=8.194 ppm2=3.991
assign ( resid 135 and name H
)
( resid 132 and name HA
or resid 136 and name HA3
) 3.3 0.7 0.7 volume=0.822 peak=1721 ppm1=8.194 ppm2=3.722
assign ( resid 135 and name H
)
( resid 135 and name HA
) 3.2 0.6 0.6 volume=1.083 peak=1722 ppm1=8.196 ppm2=3.607
assign ( resid 135 and name H
)
( resid 135 and name HB
) 3.1 0.6 0.6 volume=1.115 peak=1723 ppm1=8.192 ppm2=2.350
assign ( resid 135 and name H
)
( resid 135 and name HG12
) 3.1 0.6 0.6 volume=1.102 peak=1724 ppm1=8.192 ppm2=1.486
assign ( resid 135 and name H
)
( resid 133 and name HB#
) 4.4 0.9 0.9 volume=0.462 peak=1725 ppm1=8.195 ppm2=1.638
assign ( resid 135 and name H
)
( resid 138 and name HG1#
) 5.4 1.1 1.1 volume=0.134 peak=1726 ppm1=8.193 ppm2=0.499
assign ( resid 136 and name H
)
( resid 138 and name HG1#
) 5.8 1.2 1.2 volume=0.087 peak=1727 ppm1=7.980 ppm2=0.481
assign ( resid 137 and name H
)
( resid 136 and name H
) 3.4 0.7 0.7 volume=0.733 peak=1728 ppm1=8.505 ppm2=7.990
assign ( resid 137 and name H
)
( resid 135 and name H
) 3.7 0.7 0.7 volume=0.433 peak=1729 ppm1=8.500 ppm2=8.208
assign ( resid 137 and name H
)
( resid 138 and name H
) 3.5 0.7 0.7 volume=0.582 peak=1730 ppm1=8.501 ppm2=8.766
assign ( resid 137 and name H
)
( resid 138 and name H
) 3.2 0.6 0.6 volume=0.975 peak=1731 ppm1=8.503 ppm2=8.700
assign ( resid 137 and name H
)
( resid 134 and name HD#
) 4.6 0.9 0.9 volume=0.239 peak=1732 ppm1=8.503 ppm2=7.336
assign ( resid 137 and name H
)
( resid 137 and name HA
) 3.2 0.6 0.6 volume=1.083 peak=1733 ppm1=8.505 ppm2=4.264
assign ( resid 137 and name H
)
( resid 133 and name HA
) 3.9 0.8 0.8 volume=0.305 peak=1734 ppm1=8.502 ppm2=4.087
assign ( resid 137 and name H
)
( resid 136 and name HA2
) 3.5 0.7 0.7 volume=0.623 peak=1735 ppm1=8.509 ppm2=3.971
assign ( resid 137 and name H
)
( resid 136 and name HA3
) 3.4 0.7 0.7 volume=0.738 peak=1736 ppm1=8.507 ppm2=3.691
assign ( resid 137 and name H
)
( resid 137 and name HB3
) 3.3 0.7 0.7 volume=0.820 peak=1737 ppm1=8.504 ppm2=2.413
assign ( resid 137 and name H
)
( resid 135 and name HG13
) 3.6 0.7 0.7 volume=0.489 peak=1738 ppm1=8.507 ppm2=2.120
assign ( resid 137 and name H
)
( resid 133 and name HB#
or resid 137 and name HG
) 3.3 0.7 0.7 volume=1.279 peak=1739 ppm1=8.507 ppm2=1.632
assign ( resid 137 and name H
)
( resid 108 and name HG1#
) 4.9 1.0 1.0 volume=0.236 peak=1740 ppm1=8.510 ppm2=0.699
assign ( resid 137 and name H
)
( resid 138 and name HG1#
) 4.7 0.9 0.9 volume=0.313 peak=1741 ppm1=8.501 ppm2=0.481
assign ( resid 138 and name H
)
( resid 137 and name H
or resid 139 and name H
) 3.2 0.6 0.6 volume=1.001 peak=1742 ppm1=8.732 ppm2=8.543
assign ( resid 138 and name H
)
( resid 135 and name H
) 3.6 0.7 0.7 volume=0.527 peak=1743 ppm1=8.732 ppm2=8.202
assign ( resid 138 and name H
)
( resid 136 and name H
) 3.8 0.8 0.8 volume=0.386 peak=1744 ppm1=8.730 ppm2=8.002
assign ( resid 138 and name H
)
( resid 134 and name HE#
) 4.4 0.9 0.9 volume=0.307 peak=1745 ppm1=8.737 ppm2=7.510
assign ( resid 138 and name H
)
( resid 134 and name HD#
) 4.4 0.9 0.9 volume=0.305 peak=1746 ppm1=8.735 ppm2=7.338
assign ( resid 138 and name H
)
( resid 137 and name HA
) 3.4 0.7 0.7 volume=0.644 peak=1747 ppm1=8.732 ppm2=4.263
assign ( resid 138 and name H
)
( resid 136 and name HA2
) 4.0 0.8 0.8 volume=0.266 peak=1748 ppm1=8.736 ppm2=3.967
assign ( resid 138 and name H
)
( resid 134 and name HA
) 3.7 0.7 0.7 volume=0.433 peak=1749 ppm1=8.733 ppm2=4.388
assign ( resid 138 and name H
)
( resid 135 and name HA
or resid 139 and name HB3
) 3.1 0.6 0.6 volume=1.148 peak=1750 ppm1=8.737 ppm2=3.609
assign ( resid 138 and name H
)
( resid 138 and name HA
) 3.2 0.6 0.6 volume=1.083 peak=1751 ppm1=8.733 ppm2=3.394
assign ( resid 138 and name H
)
( resid 139 and name HB2
) 3.9 0.8 0.8 volume=0.300 peak=1752 ppm1=8.731 ppm2=3.151
assign ( resid 138 and name H
)
( resid 137 and name HB3
) 3.4 0.7 0.7 volume=0.710 peak=1753 ppm1=8.733 ppm2=2.417
assign ( resid 138 and name H
)
( resid 138 and name HB
or resid 141 and name HG
) 2.8 0.6 0.6 volume=2.026 peak=1754 ppm1=8.734 ppm2=2.100
assign ( resid 138 and name H
)
( resid 137 and name HG
) 3.2 0.6 0.6 volume=0.981 peak=1755 ppm1=8.734 ppm2=1.630
assign ( resid 139 and name H
)
( resid 140 and name H
) 3.6 0.7 0.7 volume=0.513 peak=1756 ppm1=8.585 ppm2=8.330
assign ( resid 139 and name H
)
( resid 139 and name HD#
) 3.8 0.8 0.8 volume=0.764 peak=1757 ppm1=8.588 ppm2=6.979
assign ( resid 139 and name H
)
( resid 139 and name HA
) 3.2 0.6 0.6 volume=1.083 peak=1758 ppm1=8.585 ppm2=4.118
assign ( resid 139 and name H
)
( resid 135 and name HA
or resid 139 and name HB3
) 3.1 0.6 0.6 volume=1.304 peak=1759 ppm1=8.587 ppm2=3.622
assign ( resid 139 and name H
)
( resid 138 and name HA
or resid 140 and name HB2
) 3.8 0.8 0.8 volume=0.339 peak=1760 ppm1=8.585 ppm2=3.372
assign ( resid 139 and name H
)
( resid 139 and name HB2
) 3.2 0.6 0.6 volume=0.967 peak=1761 ppm1=8.586 ppm2=3.134
assign ( resid 139 and name H
)
( resid 135 and name HG13
or resid 138 and name HB
or resid 141 and name HG
) 3.4 0.7 0.7 volume=0.656 peak=1762 ppm1=8.589 ppm2=2.099
assign ( resid 139 and name H
)
( resid 104 and name HD2#
or resid 142 and name HG1#
or resid 142 and name HG2#
) 3.8 0.8 0.8 volume=0.996 peak=1763 ppm1=8.588 ppm2=1.051
assign ( resid 139 and name H
)
( resid 104 and name HD1#
or resid 138 and name HG2#
) 4.0 0.8 0.8 volume=0.779 peak=1764 ppm1=8.585 ppm2=0.949
assign ( resid 139 and name H
)
( resid 138 and name HG1#
) 4.1 0.8 0.8 volume=0.644 peak=1765 ppm1=8.586 ppm2=0.487
assign ( resid 140 and name H
)
( resid 138 and name H
) 4.0 0.8 0.8 volume=0.279 peak=1766 ppm1=8.315 ppm2=8.723
assign ( resid 140 and name H
)
( resid 141 and name H
) 3.3 0.7 0.7 volume=0.793 peak=1767 ppm1=8.319 ppm2=8.457
assign ( resid 214 and name H
)
( resid 213 and name HG
or resid 213 and name HB3
) 3.5 0.7 0.7 volume=0.561 peak=1768 ppm1=8.402 ppm2=2.158
assign ( resid 214 and name H
)
( resid 213 and name HB2
) 3.8 0.8 0.8 volume=0.368 peak=1769 ppm1=8.406 ppm2=1.851
assign ( resid 140 and name H
)
( resid 137 and name HD2#
or resid 141 and name HB3
) 3.6 0.7 0.7 volume=0.703 peak=1770 ppm1=8.315 ppm2=1.209
assign ( resid 140 and name H
)
( resid 138 and name HG1#
) 5.2 1.0 1.0 volume=0.162 peak=1771 ppm1=8.314 ppm2=0.455
assign ( resid 141 and name H
)
( resid 141 and name HD2#
) 3.8 0.8 0.8 volume=1.042 peak=1772 ppm1=8.454 ppm2=0.687
assign ( resid 141 and name H
)
( resid 141 and name HD1#
or resid 142 and name HG1#
or resid 142 and name HG2#
) 3.4 0.7 0.7 volume=2.064 peak=1773 ppm1=8.451 ppm2=1.034
assign ( resid 141 and name H
)
( resid 137 and name HD1#
or resid 137 and name HD2#
or resid 141 and name HB3
) 3.4 0.7 0.7 volume=1.162 peak=1774 ppm1=8.452 ppm2=1.224
assign ( resid 141 and name H
)
( resid 138 and name HG1#
) 5.0 1.0 1.0 volume=0.201 peak=1775 ppm1=8.443 ppm2=0.480
assign ( resid 141 and name H
)
( resid 142 and name HB
) 3.9 0.8 0.8 volume=0.296 peak=1776 ppm1=8.450 ppm2=2.385
assign ( resid 141 and name H
)
( resid 138 and name HB
or resid 141 and name HB2
or resid 141 and name HG
) 3.0 0.6 0.6 volume=1.593 peak=1777 ppm1=8.453 ppm2=2.089
assign ( resid 141 and name H
)
( resid 138 and name HA
or resid 140 and name HB2
) 3.3 0.7 0.7 volume=0.852 peak=1778 ppm1=8.455 ppm2=3.362
assign ( resid 141 and name H
)
( resid 140 and name HB3
) 3.7 0.7 0.7 volume=0.433 peak=1779 ppm1=8.456 ppm2=2.973
assign ( resid 141 and name H
)
( resid 139 and name HB3
or resid 140 and name HA
) 3.7 0.7 0.7 volume=0.447 peak=1780 ppm1=8.451 ppm2=3.634
assign ( resid 141 and name H
)
( resid 137 and name HA
) 3.8 0.8 0.8 volume=0.341 peak=1781 ppm1=8.456 ppm2=4.263
assign ( resid 141 and name H
)
( resid 140 and name HD#
) 4.5 0.9 0.9 volume=0.265 peak=1782 ppm1=8.457 ppm2=7.176
assign ( resid 141 and name H
)
( resid 139 and name HD#
) 4.7 0.9 0.9 volume=0.211 peak=1783 ppm1=8.450 ppm2=6.976
assign ( resid 141 and name H
)
( resid 140 and name H
or resid 143 and name H
) 3.3 0.7 0.7 volume=0.840 peak=1784 ppm1=8.453 ppm2=8.316
assign ( resid 141 and name H
)
( resid 142 and name H
) 3.3 0.7 0.7 volume=0.763 peak=1785 ppm1=8.454 ppm2=8.650
assign ( resid 142 and name H
)
( resid 141 and name H
) 3.2 0.6 0.6 volume=1.023 peak=1786 ppm1=8.646 ppm2=8.457
assign ( resid 142 and name H
)
( resid 140 and name H
or resid 143 and name H
) 2.9 0.6 0.6 volume=1.774 peak=1787 ppm1=8.649 ppm2=8.303
assign ( resid 142 and name H
)
( resid 141 and name HA
) 3.5 0.7 0.7 volume=0.593 peak=1788 ppm1=8.646 ppm2=4.542
assign ( resid 142 and name H
)
( resid 142 and name HA
) 3.2 0.6 0.6 volume=1.083 peak=1789 ppm1=8.646 ppm2=4.282
assign ( resid 142 and name H
)
( resid 139 and name HA
) 3.4 0.7 0.7 volume=0.753 peak=1790 ppm1=8.646 ppm2=4.113
assign ( resid 142 and name H
)
( resid 164 and name HD2
) 3.7 0.7 0.7 volume=0.429 peak=1791 ppm1=8.636 ppm2=3.200
assign ( resid 142 and name H
)
( resid 143 and name HA2
or resid 164 and name HD3
) 3.3 0.7 0.7 volume=0.836 peak=1792 ppm1=8.650 ppm2=3.577
assign ( resid 142 and name H
)
( resid 138 and name HA
or resid 143 and name HA3
) 3.3 0.7 0.7 volume=0.861 peak=1793 ppm1=8.645 ppm2=3.381
assign ( resid 142 and name H
)
( resid 141 and name HB3
) 3.3 0.7 0.7 volume=0.911 peak=1794 ppm1=8.653 ppm2=1.232
assign ( resid 142 and name H
)
( resid 142 and name HG1#
or resid 142 and name HG2#
or resid 168 and name HG1#
or resid 168 and name HG2#
) 2.8 0.6 0.6 volume=6.120 peak=1795 ppm1=8.648 ppm2=1.062
assign ( resid 142 and name H
)
( resid 141 and name HD2#
) 4.0 0.8 0.8 volume=0.748 peak=1796 ppm1=8.648 ppm2=0.683
assign ( resid 143 and name H
)
( resid 142 and name H
) 3.1 0.6 0.6 volume=1.253 peak=1797 ppm1=8.292 ppm2=8.651
assign ( resid 143 and name H
)
( resid 145 and name H
) 4.0 0.8 0.8 volume=0.249 peak=1798 ppm1=8.292 ppm2=8.807
assign ( resid 143 and name H
)
( resid 146 and name H
) 4.1 0.8 0.8 volume=0.229 peak=1799 ppm1=8.280 ppm2=7.138
assign ( resid 143 and name H
)
( resid 139 and name HD#
) 4.5 0.9 0.9 volume=0.264 peak=1800 ppm1=8.291 ppm2=7.005
assign ( resid 143 and name H
)
( resid 142 and name HA
) 3.6 0.7 0.7 volume=0.522 peak=1801 ppm1=8.286 ppm2=4.278
assign ( resid 143 and name H
)
( resid 139 and name HA
) 3.8 0.8 0.8 volume=0.355 peak=1802 ppm1=8.293 ppm2=4.125
assign ( resid 143 and name H
)
( resid 143 and name HA2
) 2.8 0.6 0.6 volume=2.004 peak=1803 ppm1=8.291 ppm2=3.572
assign ( resid 143 and name H
)
( resid 143 and name HA3
) 3.2 0.6 0.6 volume=1.083 peak=1804 ppm1=8.292 ppm2=3.360
assign ( resid 143 and name H
)
( resid 142 and name HB
) 3.4 0.7 0.7 volume=0.659 peak=1805 ppm1=8.294 ppm2=2.404
assign ( resid 143 and name H
)
( resid 141 and name HB2
) 3.7 0.7 0.7 volume=0.407 peak=1806 ppm1=8.293 ppm2=2.140
assign ( resid 143 and name H
)
( resid 141 and name HB3
) 3.9 0.8 0.8 volume=0.296 peak=1807 ppm1=8.289 ppm2=1.227
assign ( resid 143 and name H
)
( resid 142 and name HG1#
or resid 142 and name HG2#
) 3.4 0.7 0.7 volume=2.026 peak=1808 ppm1=8.291 ppm2=1.066
assign ( resid 145 and name H
)
( resid 143 and name H
) 3.8 0.8 0.8 volume=0.381 peak=1809 ppm1=8.802 ppm2=8.279
assign ( resid 145 and name H
)
( resid 140 and name HD#
or resid 146 and name H
) 3.5 0.7 0.7 volume=0.801 peak=1810 ppm1=8.800 ppm2=7.147
assign ( resid 145 and name H
)
( resid 145 and name HA
) 3.2 0.6 0.6 volume=1.083 peak=1811 ppm1=8.803 ppm2=3.928
assign ( resid 145 and name H
)
( resid 141 and name HA
) 3.7 0.7 0.7 volume=0.431 peak=1812 ppm1=8.802 ppm2=4.536
assign ( resid 145 and name H
)
( resid 140 and name HB2
or resid 143 and name HA3
) 3.8 0.8 0.8 volume=0.370 peak=1813 ppm1=8.805 ppm2=3.357
assign ( resid 145 and name H
)
( resid 140 and name HA
) 3.6 0.7 0.7 volume=0.529 peak=1814 ppm1=8.801 ppm2=3.650
assign ( resid 145 and name H
)
( resid 145 and name HG2
or resid 145 and name HG3
) 2.8 0.6 0.6 volume=2.082 peak=1815 ppm1=8.802 ppm2=2.523
assign ( resid 145 and name H
)
( resid 145 and name HE#
) 3.7 0.7 0.7 volume=1.348 peak=1816 ppm1=8.799 ppm2=2.169
assign ( resid 145 and name H
)
( resid 91 and name HB#
) 4.3 0.9 0.9 volume=0.494 peak=1817 ppm1=8.801 ppm2=1.221
assign ( resid 145 and name H
)
( resid 93 and name HD1#
or resid 93 and name HD2#
) 4.1 0.8 0.8 volume=0.653 peak=1818 ppm1=8.802 ppm2=0.783
assign ( resid 146 and name H
)
( resid 145 and name H
) 3.5 0.7 0.7 volume=0.560 peak=1819 ppm1=7.108 ppm2=8.809
assign ( resid 146 and name H
)
( resid 147 and name H
) 3.2 0.6 0.6 volume=1.047 peak=1820 ppm1=7.114 ppm2=8.231
assign ( resid 146 and name H
)
( resid 148 and name H
) 3.9 0.8 0.8 volume=0.301 peak=1821 ppm1=7.106 ppm2=8.079
assign ( resid 146 and name H
)
( resid 146 and name HB
) 3.1 0.6 0.6 volume=1.151 peak=1822 ppm1=7.113 ppm2=4.487
assign ( resid 146 and name H
)
( resid 142 and name HA
) 3.4 0.7 0.7 volume=0.716 peak=1823 ppm1=7.115 ppm2=4.269
assign ( resid 146 and name H
)
( resid 146 and name HA
) 3.2 0.6 0.6 volume=1.083 peak=1824 ppm1=7.112 ppm2=4.095
assign ( resid 146 and name H
)
( resid 145 and name HA
) 4.0 0.8 0.8 volume=0.274 peak=1825 ppm1=7.111 ppm2=3.921
assign ( resid 146 and name H
)
( resid 145 and name HG2
or resid 145 and name HG3
) 3.5 0.7 0.7 volume=0.580 peak=1826 ppm1=7.109 ppm2=2.530
assign ( resid 146 and name H
)
( resid 147 and name HB3
or resid 147 and name HB2
) 3.1 0.6 0.6 volume=1.158 peak=1827 ppm1=7.115 ppm2=2.171
assign ( resid 146 and name H
)
( resid 146 and name HG2#
) 3.7 0.7 0.7 volume=1.212 peak=1828 ppm1=7.111 ppm2=1.360
assign ( resid 147 and name H
)
( resid 146 and name H
) 3.2 0.6 0.6 volume=0.952 peak=1829 ppm1=8.216 ppm2=7.120
assign ( resid 147 and name H
)
( resid 147 and name HA
) 3.2 0.6 0.6 volume=1.083 peak=1830 ppm1=8.217 ppm2=4.270
assign ( resid 147 and name H
)
( resid 145 and name HA
) 4.2 0.8 0.8 volume=0.201 peak=1831 ppm1=8.222 ppm2=3.900
assign ( resid 147 and name H
)
( resid 147 and name HG2
or resid 147 and name HG3
) 2.9 0.6 0.6 volume=1.692 peak=1832 ppm1=8.217 ppm2=2.341
assign ( resid 147 and name H
)
( resid 147 and name HB3
or resid 147 and name HB2
) 2.7 0.5 0.5 volume=2.684 peak=1833 ppm1=8.217 ppm2=2.166
assign ( resid 147 and name H
)
( resid 146 and name HA
) 2.8 0.6 0.6 volume=2.173 peak=1834 ppm1=8.218 ppm2=4.090
assign ( resid 147 and name H
)
( resid 146 and name HG2#
) 4.0 0.8 0.8 volume=0.821 peak=1835 ppm1=8.216 ppm2=1.354
assign ( resid 228 and name H
)
( resid 227 and name HD2#
or resid 227 and name HD1#
) 3.6 0.7 0.7 volume=1.516 peak=1836 ppm1=8.223 ppm2=1.051
assign ( resid 148 and name H
)
( resid 145 and name H
) 4.2 0.8 0.8 volume=0.204 peak=1837 ppm1=8.080 ppm2=8.813
assign ( resid 148 and name H
)
( resid 147 and name H
) 3.1 0.6 0.6 volume=1.318 peak=1838 ppm1=8.081 ppm2=8.228
assign ( resid 149 and name H
)
( resid 147 and name H
) 4.3 0.9 0.9 volume=0.172 peak=1839 ppm1=7.976 ppm2=8.229
assign ( resid 149 and name H
)
( resid 151 and name H
) 4.2 0.8 0.8 volume=0.196 peak=1840 ppm1=7.976 ppm2=7.570
assign ( resid 149 and name H
)
( resid 146 and name H
) 4.5 0.9 0.9 volume=0.124 peak=1841 ppm1=7.980 ppm2=7.083
assign ( resid 149 and name H
)
( resid 147 and name HA
or resid 148 and name HA
) 3.3 0.7 0.7 volume=0.766 peak=1842 ppm1=7.976 ppm2=4.262
assign ( resid 149 and name H
)
( resid 149 and name HA
) 3.2 0.6 0.6 volume=1.083 peak=1843 ppm1=7.976 ppm2=4.010
assign ( resid 149 and name H
)
( resid 145 and name HA
) 3.6 0.7 0.7 volume=0.522 peak=1844 ppm1=7.976 ppm2=3.862
assign ( resid 149 and name H
)
( resid 91 and name HA
) 3.8 0.8 0.8 volume=0.335 peak=1845 ppm1=7.975 ppm2=3.651
assign ( resid 149 and name H
)
( resid 145 and name HG2
or resid 145 and name HG3
or resid 151 and name HG3
) 4.5 0.9 0.9 volume=0.130 peak=1846 ppm1=7.983 ppm2=2.552
assign ( resid 149 and name H
)
( resid 147 and name HB3
or resid 147 and name HB2
) 3.7 0.7 0.7 volume=0.420 peak=1847 ppm1=7.975 ppm2=2.161
assign ( resid 149 and name H
)
( resid 146 and name HG2#
) 5.0 1.0 1.0 volume=0.215 peak=1848 ppm1=7.976 ppm2=1.347
assign ( resid 149 and name H
)
( resid 91 and name HB#
) 4.3 0.9 0.9 volume=0.513 peak=1849 ppm1=7.976 ppm2=1.223
assign ( resid 149 and name H
)
( resid 149 and name HB#
) 3.6 0.7 0.7 volume=1.512 peak=1850 ppm1=7.976 ppm2=1.105
assign ( resid 149 and name H
)
( resid 93 and name HD1#
or resid 93 and name HD2#
) 5.4 1.1 1.1 volume=0.133 peak=1851 ppm1=7.971 ppm2=0.791
assign ( resid 150 and name H
)
( resid 147 and name H
) 5.5 1.1 1.1 volume=0.039 peak=1852 ppm1=7.908 ppm2=8.239
assign ( resid 150 and name H
)
( resid 151 and name H
or resid 152 and name H
) 3.7 0.7 0.7 volume=0.391 peak=1853 ppm1=7.905 ppm2=7.559
assign ( resid 150 and name H
)
( resid 147 and name HA
or resid 148 and name HA
or resid 150 and name HA
) 3.2 0.6 0.6 volume=1.083 peak=1854 ppm1=7.905 ppm2=4.264
assign ( resid 150 and name H
)
( resid 149 and name HA
) 4.1 0.8 0.8 volume=0.227 peak=1855 ppm1=7.906 ppm2=4.017
assign ( resid 150 and name H
)
( resid 91 and name HA
) 5.5 1.1 1.1 volume=0.039 peak=1856 ppm1=7.901 ppm2=3.657
assign ( resid 150 and name H
)
( resid 151 and name HG2
) 4.6 0.9 0.9 volume=0.117 peak=1857 ppm1=7.904 ppm2=2.628
assign ( resid 150 and name H
)
( resid 151 and name HG3
) 4.8 1.0 1.0 volume=0.089 peak=1858 ppm1=7.901 ppm2=2.549
assign ( resid 150 and name H
)
( resid 156 and name HB
) 4.2 0.8 0.8 volume=0.204 peak=1859 ppm1=7.908 ppm2=2.169
assign ( resid 150 and name H
)
( resid 146 and name HG2#
) 5.8 1.2 1.2 volume=0.088 peak=1860 ppm1=7.904 ppm2=1.362
assign ( resid 150 and name H
)
( resid 149 and name HB#
) 4.4 0.9 0.9 volume=0.454 peak=1861 ppm1=7.905 ppm2=1.104
assign ( resid 199 and name H
)
( resid 197 and name H
) 4.1 0.8 0.8 volume=0.239 peak=1862 ppm1=7.560 ppm2=8.114
assign ( resid 151 and name H
)
( resid 150 and name H
) 3.5 0.7 0.7 volume=0.567 peak=1863 ppm1=7.549 ppm2=7.921
assign ( resid 151 and name H
)
( resid 151 and name HE22
) 4.4 0.9 0.9 volume=0.149 peak=1864 ppm1=7.554 ppm2=7.419
assign ( resid 151 and name H
)
( resid 151 and name HE21
) 4.8 1.0 1.0 volume=0.083 peak=1865 ppm1=7.558 ppm2=6.863
assign ( resid 151 and name H
)
( resid 151 and name HA
) 3.2 0.6 0.6 volume=1.083 peak=1866 ppm1=7.555 ppm2=4.572
assign ( resid 151 and name H
)
( resid 148 and name HA
or resid 150 and name HA
) 3.2 0.6 0.6 volume=0.967 peak=1867 ppm1=7.553 ppm2=4.262
assign ( resid 166 and name H
)
( resid 166 and name HA
) 3.2 0.6 0.6 volume=1.083 peak=1868 ppm1=7.553 ppm2=4.050
assign ( resid 151 and name H
or resid 152 and name H
or resid 166 and name H
or resid 199 and name H
)
( resid 197 and name HA
) 4.2 0.8 0.8 volume=0.182 peak=1869 ppm1=7.558 ppm2=3.882
assign ( resid 152 and name H
or resid 166 and name H
)
( resid 152 and name HD3
or resid 165 and name HB3
) 3.6 0.7 0.7 volume=0.500 peak=1870 ppm1=7.560 ppm2=3.224
assign ( resid 151 and name H
)
( resid 151 and name HG2
) 3.1 0.6 0.6 volume=1.205 peak=1871 ppm1=7.553 ppm2=2.633
assign ( resid 151 and name H
)
( resid 151 and name HG3
) 3.2 0.6 0.6 volume=0.938 peak=1872 ppm1=7.553 ppm2=2.553
assign ( resid 166 and name H
)
( resid 162 and name HB2
) 3.0 0.6 0.6 volume=1.552 peak=1873 ppm1=7.562 ppm2=2.112
assign ( resid 152 and name H
or resid 166 and name H
)
( resid 156 and name HB
) 2.9 0.6 0.6 volume=1.831 peak=1874 ppm1=7.563 ppm2=2.214
assign ( resid 166 and name H
)
( resid 166 and name HD1#
or resid 169 and name HG2#
) 4.1 0.8 0.8 volume=0.680 peak=1875 ppm1=7.554 ppm2=1.211
assign ( resid 166 and name H
)
( resid 166 and name HD2#
or resid 169 and name HG1#
) 3.6 0.7 0.7 volume=1.491 peak=1876 ppm1=7.555 ppm2=1.073
assign ( resid 174 and name H
)
( resid 200 and name HD1#
) 4.5 0.9 0.9 volume=0.371 peak=1877 ppm1=7.548 ppm2=0.288
assign ( resid 152 and name H
)
( resid 150 and name H
or resid 153 and name H
) 3.5 0.7 0.7 volume=0.590 peak=1878 ppm1=7.574 ppm2=8.004
assign ( resid 166 and name H
or resid 174 and name H
)
( resid 167 and name H
or resid 173 and name H
) 3.4 0.7 0.7 volume=0.660 peak=1879 ppm1=7.557 ppm2=7.867
assign ( resid 152 and name H
)
( resid 152 and name HA
) 3.2 0.6 0.6 volume=1.083 peak=1880 ppm1=7.566 ppm2=4.631
assign ( resid 155 and name H
)
( resid 156 and name H
) 4.2 0.8 0.8 volume=0.185 peak=1881 ppm1=9.047 ppm2=7.611
assign ( resid 155 and name H
)
( resid 158 and name H
) 4.3 0.9 0.9 volume=0.163 peak=1882 ppm1=9.049 ppm2=8.321
assign ( resid 156 and name H
)
( resid 156 and name HA
) 3.2 0.6 0.6 volume=1.083 peak=1883 ppm1=7.588 ppm2=3.889
assign ( resid 156 and name H
)
( resid 155 and name H
) 4.2 0.8 0.8 volume=0.205 peak=1884 ppm1=7.581 ppm2=9.062
assign ( resid 156 and name H
)
( resid 157 and name H
) 3.3 0.7 0.7 volume=0.786 peak=1885 ppm1=7.584 ppm2=8.625
assign ( resid 156 and name H
)
( resid 158 and name H
) 4.2 0.8 0.8 volume=0.186 peak=1886 ppm1=7.593 ppm2=8.311
assign ( resid 156 and name H
)
( resid 153 and name H
) 4.2 0.8 0.8 volume=0.207 peak=1887 ppm1=7.585 ppm2=8.007
assign ( resid 156 and name H
)
( resid 156 and name HB
) 3.0 0.6 0.6 volume=1.418 peak=1888 ppm1=7.588 ppm2=2.180
assign ( resid 156 and name H
)
( resid 156 and name HG13
) 3.2 0.6 0.6 volume=0.969 peak=1889 ppm1=7.586 ppm2=1.730
assign ( resid 156 and name H
)
( resid 156 and name HG12
) 3.3 0.7 0.7 volume=0.792 peak=1890 ppm1=7.585 ppm2=1.270
assign ( resid 156 and name H
)
( resid 156 and name HG2#
) 3.8 0.8 0.8 volume=1.139 peak=1891 ppm1=7.588 ppm2=1.097
assign ( resid 156 and name H
)
( resid 156 and name HD1#
) 3.8 0.8 0.8 volume=1.099 peak=1892 ppm1=7.585 ppm2=0.979
assign ( resid 158 and name H
)
( resid 155 and name H
or resid 160 and name H
) 4.6 0.9 0.9 volume=0.118 peak=1893 ppm1=8.315 ppm2=9.094
assign ( resid 158 and name H
)
( resid 157 and name H
or resid 161 and name H
) 3.7 0.7 0.7 volume=0.402 peak=1894 ppm1=8.314 ppm2=8.625
assign ( resid 158 and name H
)
( resid 159 and name H
) 3.8 0.8 0.8 volume=0.356 peak=1895 ppm1=8.313 ppm2=7.717
assign ( resid 158 and name H
)
( resid 156 and name H
) 4.4 0.9 0.9 volume=0.150 peak=1896 ppm1=8.310 ppm2=7.587
assign ( resid 158 and name H
)
( resid 158 and name HA
) 3.2 0.6 0.6 volume=1.083 peak=1897 ppm1=8.313 ppm2=4.306
assign ( resid 158 and name H
)
( resid 158 and name HB2
) 3.3 0.7 0.7 volume=0.897 peak=1898 ppm1=8.313 ppm2=4.171
assign ( resid 158 and name H
)
( resid 158 and name HB3
or resid 158 and name HB2
) 3.3 0.7 0.7 volume=0.894 peak=1899 ppm1=8.313 ppm2=4.108
assign ( resid 158 and name H
)
( resid 156 and name HA
) 3.7 0.7 0.7 volume=0.417 peak=1900 ppm1=8.313 ppm2=3.915
assign ( resid 158 and name H
)
( resid 159 and name HB3
) 3.6 0.7 0.7 volume=0.457 peak=1901 ppm1=8.313 ppm2=2.125
assign ( resid 158 and name H
)
( resid 159 and name HB2
) 4.2 0.8 0.8 volume=0.186 peak=1902 ppm1=8.315 ppm2=1.701
assign ( resid 158 and name H
)
( resid 161 and name HG1#
) 5.4 1.1 1.1 volume=0.132 peak=1903 ppm1=8.314 ppm2=1.288
assign ( resid 158 and name H
)
( resid 161 and name HG2#
) 4.9 1.0 1.0 volume=0.224 peak=1904 ppm1=8.315 ppm2=1.091
assign ( resid 159 and name H
)
( resid 160 and name H
) 3.5 0.7 0.7 volume=0.548 peak=1905 ppm1=7.715 ppm2=9.092
assign ( resid 159 and name H
)
( resid 157 and name H
or resid 161 and name H
) 4.2 0.8 0.8 volume=0.207 peak=1906 ppm1=7.709 ppm2=8.631
assign ( resid 159 and name H
)
( resid 158 and name H
) 3.5 0.7 0.7 volume=0.576 peak=1907 ppm1=7.711 ppm2=8.319
assign ( resid 159 and name H
)
( resid 160 and name HB3
) 4.6 0.9 0.9 volume=0.121 peak=1908 ppm1=7.716 ppm2=3.038
assign ( resid 159 and name H
)
( resid 160 and name HB2
) 4.1 0.8 0.8 volume=0.220 peak=1909 ppm1=7.716 ppm2=3.279
assign ( resid 159 and name H
)
( resid 159 and name HB2
or resid 159 and name HG
) 3.0 0.6 0.6 volume=1.624 peak=1910 ppm1=7.712 ppm2=1.689
assign ( resid 159 and name H
)
( resid 159 and name HB3
) 3.3 0.7 0.7 volume=0.901 peak=1911 ppm1=7.714 ppm2=2.108
assign ( resid 159 and name H
)
( resid 161 and name HG1#
) 5.0 1.0 1.0 volume=0.195 peak=1912 ppm1=7.710 ppm2=1.298
assign ( resid 159 and name H
)
( resid 159 and name HD1#
) 3.6 0.7 0.7 volume=1.516 peak=1913 ppm1=7.712 ppm2=1.000
assign ( resid 159 and name H
)
( resid 156 and name H
) 4.5 0.9 0.9 volume=0.130 peak=1914 ppm1=7.706 ppm2=7.594
assign ( resid 160 and name H
)
( resid 161 and name HG1#
) 4.5 0.9 0.9 volume=0.376 peak=1915 ppm1=9.085 ppm2=1.299
assign ( resid 160 and name H
)
( resid 90 and name HD1#
or resid 156 and name HG2#
or resid 161 and name HG2#
) 3.8 0.8 0.8 volume=1.072 peak=1916 ppm1=9.083 ppm2=1.100
assign ( resid 160 and name H
)
( resid 159 and name HD1#
) 3.9 0.8 0.8 volume=0.904 peak=1917 ppm1=9.084 ppm2=0.992
assign ( resid 160 and name H
)
( resid 90 and name HB2
or resid 159 and name HB2
) 3.3 0.7 0.7 volume=0.906 peak=1918 ppm1=9.084 ppm2=1.690
assign ( resid 160 and name H
)
( resid 159 and name HB3
) 3.6 0.7 0.7 volume=0.520 peak=1919 ppm1=9.082 ppm2=2.116
assign ( resid 160 and name H
)
( resid 160 and name HB3
) 3.6 0.7 0.7 volume=0.472 peak=1920 ppm1=9.085 ppm2=3.039
assign ( resid 160 and name H
)
( resid 160 and name HB2
) 3.5 0.7 0.7 volume=0.559 peak=1921 ppm1=9.083 ppm2=3.281
assign ( resid 160 and name H
)
( resid 158 and name HA
or resid 159 and name HA
) 3.7 0.7 0.7 volume=0.427 peak=1922 ppm1=9.084 ppm2=4.275
assign ( resid 160 and name H
)
( resid 158 and name HB3
or resid 158 and name HB2
) 4.3 0.9 0.9 volume=0.177 peak=1923 ppm1=9.078 ppm2=4.140
assign ( resid 160 and name H
)
( resid 156 and name HA
or resid 160 and name HA
) 3.2 0.6 0.6 volume=1.083 peak=1924 ppm1=9.083 ppm2=3.893
assign ( resid 160 and name H
)
( resid 160 and name HD#
) 4.5 0.9 0.9 volume=0.263 peak=1925 ppm1=9.083 ppm2=7.062
assign ( resid 160 and name H
)
( resid 159 and name H
or resid 162 and name H
) 3.6 0.7 0.7 volume=0.519 peak=1926 ppm1=9.082 ppm2=7.723
assign ( resid 160 and name H
)
( resid 161 and name H
) 3.8 0.8 0.8 volume=0.382 peak=1927 ppm1=9.083 ppm2=8.639
assign ( resid 163 and name H
)
( resid 163 and name HD1#
) 3.9 0.8 0.8 volume=0.897 peak=1928 ppm1=8.192 ppm2=0.289
assign ( resid 163 and name H
)
( resid 163 and name HD2#
) 3.9 0.8 0.8 volume=0.880 peak=1929 ppm1=8.190 ppm2=0.530
assign ( resid 163 and name H
)
( resid 159 and name HD1#
or resid 161 and name HG2#
) 3.7 0.7 0.7 volume=1.165 peak=1930 ppm1=8.191 ppm2=1.050
assign ( resid 163 and name H
)
( resid 161 and name HG1#
or resid 163 and name HB2
) 3.7 0.7 0.7 volume=0.658 peak=1931 ppm1=8.190 ppm2=1.317
assign ( resid 163 and name H
)
( resid 161 and name HA
) 3.6 0.7 0.7 volume=0.472 peak=1932 ppm1=8.189 ppm2=3.263
assign ( resid 163 and name H
)
( resid 160 and name HA
) 3.9 0.8 0.8 volume=0.309 peak=1933 ppm1=8.190 ppm2=3.878
assign ( resid 163 and name H
)
( resid 162 and name HA
or resid 163 and name HA
) 3.2 0.6 0.6 volume=1.083 peak=1934 ppm1=8.188 ppm2=4.140
assign ( resid 163 and name H
)
( resid 162 and name H
) 3.5 0.7 0.7 volume=0.546 peak=1935 ppm1=8.185 ppm2=7.745
assign ( resid 163 and name H
)
( resid 164 and name H
) 3.7 0.7 0.7 volume=0.437 peak=1936 ppm1=8.202 ppm2=9.596
assign ( resid 164 and name H
)
( resid 161 and name H
or resid 165 and name H
) 3.5 0.7 0.7 volume=0.541 peak=1937 ppm1=9.571 ppm2=8.684
assign ( resid 164 and name H
)
( resid 163 and name H
) 3.8 0.8 0.8 volume=0.379 peak=1938 ppm1=9.576 ppm2=8.202
assign ( resid 164 and name H
)
( resid 160 and name HD#
) 4.5 0.9 0.9 volume=0.247 peak=1939 ppm1=9.573 ppm2=7.019
assign ( resid 164 and name H
)
( resid 162 and name HA
or resid 163 and name HA
) 3.6 0.7 0.7 volume=0.502 peak=1940 ppm1=9.571 ppm2=4.131
assign ( resid 164 and name H
)
( resid 160 and name HA
) 4.2 0.8 0.8 volume=0.210 peak=1941 ppm1=9.571 ppm2=3.892
assign ( resid 164 and name H
)
( resid 164 and name HD3
) 3.5 0.7 0.7 volume=0.610 peak=1942 ppm1=9.572 ppm2=3.564
assign ( resid 164 and name H
)
( resid 161 and name HA
or resid 164 and name HD2
) 3.3 0.7 0.7 volume=0.882 peak=1943 ppm1=9.573 ppm2=3.229
assign ( resid 164 and name H
)
( resid 162 and name HB2
) 3.9 0.8 0.8 volume=0.321 peak=1944 ppm1=9.571 ppm2=2.077
assign ( resid 164 and name H
)
( resid 161 and name HG1#
or resid 163 and name HB2
) 3.4 0.7 0.7 volume=1.104 peak=1945 ppm1=9.571 ppm2=1.312
assign ( resid 164 and name H
)
( resid 87 and name HD2#
or resid 161 and name HG2#
) 3.7 0.7 0.7 volume=1.201 peak=1946 ppm1=9.571 ppm2=1.067
assign ( resid 164 and name H
)
( resid 163 and name HB3
or resid 163 and name HG
) 3.3 0.7 0.7 volume=0.781 peak=1947 ppm1=9.573 ppm2=1.706
assign ( resid 164 and name H
)
( resid 163 and name HD2#
) 4.9 1.0 1.0 volume=0.230 peak=1948 ppm1=9.563 ppm2=0.531
assign ( resid 164 and name H
)
( resid 163 and name HD1#
) 4.8 1.0 1.0 volume=0.250 peak=1949 ppm1=9.570 ppm2=0.286
assign ( resid 165 and name H
)
( resid 164 and name H
) 3.6 0.7 0.7 volume=0.536 peak=1950 ppm1=8.683 ppm2=9.570
assign ( resid 165 and name H
)
( resid 167 and name H
) 4.0 0.8 0.8 volume=0.262 peak=1951 ppm1=8.691 ppm2=7.866
assign ( resid 165 and name H
)
( resid 166 and name H
) 3.4 0.7 0.7 volume=0.722 peak=1952 ppm1=8.688 ppm2=7.574
assign ( resid 165 and name H
)
( resid 165 and name HD22
) 3.9 0.8 0.8 volume=0.317 peak=1953 ppm1=8.682 ppm2=7.188
assign ( resid 165 and name H
)
( resid 165 and name HA
) 3.2 0.6 0.6 volume=1.083 peak=1954 ppm1=8.689 ppm2=4.407
assign ( resid 165 and name H
)
( resid 165 and name HB2
) 3.2 0.6 0.6 volume=0.922 peak=1955 ppm1=8.686 ppm2=2.743
assign ( resid 165 and name H
)
( resid 163 and name H
) 3.7 0.7 0.7 volume=0.437 peak=1956 ppm1=8.671 ppm2=8.197
assign ( resid 166 and name H
)
( resid 165 and name H
) 3.9 0.8 0.8 volume=0.328 peak=1957 ppm1=7.551 ppm2=8.699
assign ( resid 173 and name H
)
( resid 172 and name HB#
) 3.7 0.7 0.7 volume=1.161 peak=1958 ppm1=7.854 ppm2=1.963
assign ( resid 167 and name H
)
( resid 167 and name HG2#
) 3.8 0.8 0.8 volume=1.011 peak=1959 ppm1=7.854 ppm2=-0.147
assign ( resid 173 and name H
)
( resid 200 and name HD1#
) 4.4 0.9 0.9 volume=0.429 peak=1960 ppm1=7.851 ppm2=0.287
assign ( resid 167 and name H
)
( resid 166 and name HD1#
) 3.8 0.8 0.8 volume=1.129 peak=1961 ppm1=7.852 ppm2=1.209
assign ( resid 173 and name H
)
( resid 173 and name HB
or resid 173 and name HG13
) 2.9 0.6 0.6 volume=1.978 peak=1962 ppm1=7.853 ppm2=2.301
assign ( resid 167 and name H
)
( resid 165 and name HB3
) 4.0 0.8 0.8 volume=0.268 peak=1963 ppm1=7.854 ppm2=3.219
assign ( resid 167 and name H
)
( resid 167 and name HA
) 3.2 0.6 0.6 volume=1.083 peak=1964 ppm1=7.852 ppm2=3.801
assign ( resid 167 and name H
or resid 173 and name H
)
( resid 163 and name HA
or resid 167 and name HB
or resid 173 and name HA
) 2.9 0.6 0.6 volume=1.982 peak=1965 ppm1=7.852 ppm2=4.146
assign ( resid 173 and name H
)
( resid 170 and name HA
) 3.7 0.7 0.7 volume=0.395 peak=1966 ppm1=7.852 ppm2=4.550
assign ( resid 167 and name H
or resid 173 and name H
)
( resid 166 and name H
or resid 169 and name H
or resid 174 and name H
) 2.9 0.6 0.6 volume=1.691 peak=1967 ppm1=7.853 ppm2=7.546
assign ( resid 173 and name H
)
( resid 174 and name HD#
) 4.4 0.9 0.9 volume=0.307 peak=1968 ppm1=7.851 ppm2=7.127
assign ( resid 167 and name H
)
( resid 168 and name H
) 3.5 0.7 0.7 volume=0.603 peak=1969 ppm1=7.853 ppm2=8.816
assign ( resid 167 and name H
or resid 173 and name H
)
( resid 166 and name HD2#
or resid 168 and name HG1#
or resid 168 and name HG2#
or resid 173 and name HD1#
or resid 173 and name HG2#
) 3.1 0.6 0.6 volume=3.934 peak=1970 ppm1=7.853 ppm2=1.022
assign ( resid 173 and name H
)
( resid 173 and name HG12
) 3.2 0.6 0.6 volume=0.918 peak=1971 ppm1=7.856 ppm2=1.382
assign ( resid 168 and name H
)
( resid 167 and name HG2#
) 3.9 0.8 0.8 volume=0.863 peak=1972 ppm1=8.817 ppm2=-0.144
assign ( resid 168 and name H
)
( resid 141 and name HD2#
) 5.0 1.0 1.0 volume=0.200 peak=1973 ppm1=8.823 ppm2=0.676
assign ( resid 168 and name H
)
( resid 141 and name HD1#
or resid 168 and name HG1#
or resid 168 and name HG2#
or resid 169 and name HG1#
) 3.2 0.6 0.6 volume=2.970 peak=1974 ppm1=8.817 ppm2=1.051
assign ( resid 168 and name H
)
( resid 169 and name HG2#
) 3.9 0.8 0.8 volume=0.867 peak=1975 ppm1=8.816 ppm2=1.226
assign ( resid 168 and name H
)
( resid 168 and name HB
) 3.0 0.6 0.6 volume=1.541 peak=1976 ppm1=8.816 ppm2=2.127
assign ( resid 168 and name H
)
( resid 169 and name HB
) 3.9 0.8 0.8 volume=0.288 peak=1977 ppm1=8.816 ppm2=2.239
assign ( resid 168 and name H
)
( resid 168 and name HA
) 3.2 0.6 0.6 volume=1.083 peak=1978 ppm1=8.817 ppm2=3.443
assign ( resid 168 and name H
)
( resid 167 and name HA
) 3.4 0.7 0.7 volume=0.723 peak=1979 ppm1=8.816 ppm2=3.805
assign ( resid 168 and name H
)
( resid 167 and name HB
) 3.3 0.7 0.7 volume=0.834 peak=1980 ppm1=8.816 ppm2=4.133
assign ( resid 168 and name H
)
( resid 165 and name HA
) 4.1 0.8 0.8 volume=0.236 peak=1981 ppm1=8.817 ppm2=4.396
assign ( resid 168 and name H
)
( resid 166 and name H
or resid 169 and name H
) 3.2 0.6 0.6 volume=0.923 peak=1982 ppm1=8.816 ppm2=7.507
assign ( resid 168 and name H
)
( resid 167 and name H
) 3.5 0.7 0.7 volume=0.539 peak=1983 ppm1=8.818 ppm2=7.868
assign ( resid 168 and name H
)
( resid 165 and name H
) 4.0 0.8 0.8 volume=0.273 peak=1984 ppm1=8.817 ppm2=8.692
assign ( resid 169 and name H
)
( resid 168 and name H
) 3.7 0.7 0.7 volume=0.422 peak=1985 ppm1=7.491 ppm2=8.819
assign ( resid 169 and name H
)
( resid 171 and name H
) 4.3 0.9 0.9 volume=0.169 peak=1986 ppm1=7.487 ppm2=9.880
assign ( resid 169 and name H
)
( resid 170 and name H
) 3.6 0.7 0.7 volume=0.487 peak=1987 ppm1=7.493 ppm2=7.925
assign ( resid 169 and name H
)
( resid 165 and name HA
) 4.3 0.9 0.9 volume=0.164 peak=1988 ppm1=7.489 ppm2=4.412
assign ( resid 169 and name H
)
( resid 167 and name HB
) 4.4 0.9 0.9 volume=0.158 peak=1989 ppm1=7.490 ppm2=4.130
assign ( resid 169 and name H
)
( resid 167 and name HA
or resid 169 and name HA
) 3.2 0.6 0.6 volume=1.083 peak=1990 ppm1=7.493 ppm2=3.811
assign ( resid 169 and name H
)
( resid 168 and name HA
) 3.7 0.7 0.7 volume=0.394 peak=1991 ppm1=7.490 ppm2=3.446
assign ( resid 169 and name H
)
( resid 169 and name HB
or resid 170 and name HG
) 3.0 0.6 0.6 volume=1.421 peak=1992 ppm1=7.492 ppm2=2.246
assign ( resid 169 and name H
)
( resid 168 and name HB
) 3.3 0.7 0.7 volume=0.766 peak=1993 ppm1=7.489 ppm2=2.129
assign ( resid 169 and name H
)
( resid 169 and name HG2#
) 3.4 0.7 0.7 volume=2.000 peak=1994 ppm1=7.492 ppm2=1.226
assign ( resid 169 and name H
)
( resid 168 and name HG1#
or resid 169 and name HG1#
) 3.4 0.7 0.7 volume=1.985 peak=1995 ppm1=7.491 ppm2=1.074
assign ( resid 170 and name H
)
( resid 171 and name H
) 3.4 0.7 0.7 volume=0.651 peak=1996 ppm1=7.925 ppm2=9.874
assign ( resid 170 and name H
)
( resid 172 and name H
) 3.8 0.8 0.8 volume=0.357 peak=1997 ppm1=7.915 ppm2=7.765
assign ( resid 170 and name H
)
( resid 169 and name H
or resid 171 and name HD1
) 3.0 0.6 0.6 volume=1.468 peak=1998 ppm1=7.924 ppm2=7.508
assign ( resid 218 and name H
)
( resid 216 and name HA
) 4.5 0.9 0.9 volume=0.122 peak=1999 ppm1=7.961 ppm2=4.079
assign ( resid 218 and name H
)
( resid 215 and name HA
or resid 218 and name HB
) 3.1 0.6 0.6 volume=1.162 peak=2000 ppm1=7.962 ppm2=4.461
assign ( resid 218 and name H
)
( resid 217 and name HA
or resid 218 and name HA
) 3.2 0.6 0.6 volume=1.083 peak=2001 ppm1=7.962 ppm2=4.269
assign ( resid 170 and name H
)
( resid 167 and name HA
or resid 169 and name HA
) 3.2 0.6 0.6 volume=0.949 peak=2002 ppm1=7.926 ppm2=3.808
assign ( resid 170 and name H
)
( resid 170 and name HB3
) 3.4 0.7 0.7 volume=0.742 peak=2003 ppm1=7.927 ppm2=2.499
assign ( resid 170 and name H
)
( resid 169 and name HB
or resid 170 and name HG
) 2.8 0.6 0.6 volume=2.454 peak=2004 ppm1=7.925 ppm2=2.243
assign ( resid 218 and name H
)
( resid 219 and name HB2
) 4.4 0.9 0.9 volume=0.148 peak=2005 ppm1=7.962 ppm2=1.957
assign ( resid 218 and name H
)
( resid 215 and name HB#
or resid 217 and name HB#
) 3.8 0.8 0.8 volume=1.105 peak=2006 ppm1=7.962 ppm2=1.724
assign ( resid 170 and name H
)
( resid 168 and name HA
) 3.9 0.8 0.8 volume=0.302 peak=2007 ppm1=7.927 ppm2=3.452
assign ( resid 218 and name H
)
( resid 218 and name HG2#
) 4.2 0.8 0.8 volume=0.602 peak=2008 ppm1=7.962 ppm2=1.388
assign ( resid 170 and name H
)
( resid 166 and name HD1#
or resid 169 and name HG2#
or resid 170 and name HD2#
) 3.6 0.7 0.7 volume=1.507 peak=2009 ppm1=7.925 ppm2=1.207
assign ( resid 170 and name H
)
( resid 166 and name HD2#
or resid 169 and name HG1#
or resid 170 and name HD1#
) 3.2 0.6 0.6 volume=2.985 peak=2010 ppm1=7.925 ppm2=1.077
assign ( resid 171 and name H
)
( resid 170 and name HD1#
) 3.8 0.8 0.8 volume=1.031 peak=2011 ppm1=9.870 ppm2=1.069
assign ( resid 171 and name H
)
( resid 170 and name HD2#
) 4.2 0.8 0.8 volume=0.625 peak=2012 ppm1=9.875 ppm2=1.179
assign ( resid 171 and name H
)
( resid 170 and name H
) 3.4 0.7 0.7 volume=0.648 peak=2013 ppm1=9.875 ppm2=7.921
assign ( resid 171 and name H
)
( resid 169 and name H
or resid 171 and name HD1
) 3.0 0.6 0.6 volume=1.491 peak=2014 ppm1=9.873 ppm2=7.524
assign ( resid 171 and name H
)
( resid 134 and name HZ
) 3.8 0.8 0.8 volume=0.335 peak=2015 ppm1=9.870 ppm2=7.387
assign ( resid 171 and name H
)
( resid 172 and name H
) 3.4 0.7 0.7 volume=0.747 peak=2016 ppm1=9.870 ppm2=7.753
assign ( resid 171 and name H
)
( resid 168 and name HA
) 3.5 0.7 0.7 volume=0.603 peak=2017 ppm1=9.879 ppm2=3.466
assign ( resid 171 and name H
)
( resid 167 and name HA
or resid 169 and name HA
) 3.5 0.7 0.7 volume=0.547 peak=2018 ppm1=9.874 ppm2=3.809
assign ( resid 171 and name H
)
( resid 170 and name HG
) 3.6 0.7 0.7 volume=0.519 peak=2019 ppm1=9.875 ppm2=2.241
assign ( resid 171 and name H
)
( resid 170 and name HB3
) 3.9 0.8 0.8 volume=0.320 peak=2020 ppm1=9.872 ppm2=2.505
assign ( resid 171 and name H
)
( resid 172 and name HB#
) 4.1 0.8 0.8 volume=0.686 peak=2021 ppm1=9.868 ppm2=1.963
assign ( resid 171 and name H
)
( resid 170 and name HA
) 4.1 0.8 0.8 volume=0.211 peak=2022 ppm1=9.854 ppm2=4.516
assign ( resid 172 and name H
)
( resid 171 and name H
) 3.5 0.7 0.7 volume=0.615 peak=2023 ppm1=7.743 ppm2=9.876
assign ( resid 172 and name H
)
( resid 173 and name H
) 3.6 0.7 0.7 volume=0.531 peak=2024 ppm1=7.744 ppm2=7.864
assign ( resid 39 and name H
)
( resid 39 and name HB
) 3.3 0.7 0.7 volume=0.849 peak=2025 ppm1=7.720 ppm2=4.725
assign ( resid 172 and name H
)
( resid 170 and name HA
) 4.2 0.8 0.8 volume=0.186 peak=2026 ppm1=7.752 ppm2=4.553
assign ( resid 172 and name H
)
( resid 168 and name HA
) 3.8 0.8 0.8 volume=0.361 peak=2027 ppm1=7.743 ppm2=3.457
assign ( resid 172 and name H
)
( resid 172 and name HB#
) 3.3 0.7 0.7 volume=2.565 peak=2028 ppm1=7.744 ppm2=1.966
assign ( resid 39 and name H
)
( resid 38 and name HG2#
) 4.0 0.8 0.8 volume=0.786 peak=2029 ppm1=7.727 ppm2=1.298
assign ( resid 39 and name H
)
( resid 38 and name HG1#
or resid 41 and name HG1#
) 3.8 0.8 0.8 volume=0.998 peak=2030 ppm1=7.727 ppm2=1.182
assign ( resid 172 and name H
)
( resid 138 and name HG1#
) 5.7 1.1 1.1 volume=0.099 peak=2031 ppm1=7.740 ppm2=0.485
assign ( resid 173 and name H
)
( resid 200 and name HD2#
) 4.6 0.9 0.9 volume=0.355 peak=2032 ppm1=7.851 ppm2=0.825
assign ( resid 199 and name H
)
( resid 199 and name HD#
) 4.0 0.8 0.8 volume=0.563 peak=2033 ppm1=7.514 ppm2=7.011
assign ( resid 166 and name H
)
( resid 165 and name HA
) 4.0 0.8 0.8 volume=0.281 peak=2034 ppm1=7.558 ppm2=4.409
assign ( resid 152 and name H
)
( resid 152 and name HD2
) 4.0 0.8 0.8 volume=0.268 peak=2035 ppm1=7.568 ppm2=3.345
assign ( resid 176 and name H
)
( resid 173 and name HG2#
) 3.8 0.8 0.8 volume=1.050 peak=2036 ppm1=7.547 ppm2=1.019
assign ( resid 176 and name H
)
( resid 177 and name HG13
) 3.7 0.7 0.7 volume=0.395 peak=2037 ppm1=7.546 ppm2=1.390
assign ( resid 176 and name H
)
( resid 177 and name HG12
) 3.5 0.7 0.7 volume=0.632 peak=2038 ppm1=7.545 ppm2=1.640
assign ( resid 176 and name H
)
( resid 176 and name HB3
) 3.3 0.7 0.7 volume=0.903 peak=2039 ppm1=7.548 ppm2=3.137
assign ( resid 176 and name H
)
( resid 176 and name HB2
) 3.1 0.6 0.6 volume=1.314 peak=2040 ppm1=7.547 ppm2=3.519
assign ( resid 176 and name H
)
( resid 173 and name HA
) 3.7 0.7 0.7 volume=0.441 peak=2041 ppm1=7.546 ppm2=4.178
assign ( resid 176 and name H
)
( resid 174 and name HA
) 3.8 0.8 0.8 volume=0.364 peak=2042 ppm1=7.547 ppm2=4.009
assign ( resid 176 and name H
)
( resid 176 and name HA
) 3.2 0.6 0.6 volume=1.083 peak=2043 ppm1=7.546 ppm2=4.416
assign ( resid 176 and name H
)
( resid 176 and name HE#
) 4.3 0.9 0.9 volume=0.341 peak=2044 ppm1=7.539 ppm2=7.441
assign ( resid 176 and name H
)
( resid 178 and name H
or resid 179 and name H
) 4.2 0.8 0.8 volume=0.197 peak=2045 ppm1=7.550 ppm2=8.192
assign ( resid 176 and name H
)
( resid 177 and name H
) 3.2 0.6 0.6 volume=0.937 peak=2046 ppm1=7.546 ppm2=7.897
assign ( resid 177 and name H
)
( resid 178 and name H
or resid 179 and name H
) 3.2 0.6 0.6 volume=0.964 peak=2047 ppm1=7.896 ppm2=8.196
assign ( resid 177 and name H
)
( resid 176 and name H
) 3.1 0.6 0.6 volume=1.207 peak=2048 ppm1=7.889 ppm2=7.560
assign ( resid 177 and name H
)
( resid 176 and name HA
) 3.3 0.7 0.7 volume=0.768 peak=2049 ppm1=7.890 ppm2=4.417
assign ( resid 177 and name H
)
( resid 173 and name HA
) 3.4 0.7 0.7 volume=0.709 peak=2050 ppm1=7.884 ppm2=4.192
assign ( resid 177 and name H
)
( resid 174 and name HA
) 3.1 0.6 0.6 volume=1.202 peak=2051 ppm1=7.888 ppm2=4.011
assign ( resid 177 and name H
)
( resid 177 and name HA
) 3.2 0.6 0.6 volume=1.083 peak=2052 ppm1=7.885 ppm2=3.820
assign ( resid 177 and name H
)
( resid 176 and name HB2
or resid 178 and name HB3
or resid 178 and name HB2
) 3.2 0.6 0.6 volume=1.007 peak=2053 ppm1=7.890 ppm2=3.513
assign ( resid 177 and name H
)
( resid 176 and name HB3
) 3.5 0.7 0.7 volume=0.626 peak=2054 ppm1=7.890 ppm2=3.140
assign ( resid 177 and name H
)
( resid 177 and name HB
) 2.9 0.6 0.6 volume=1.811 peak=2055 ppm1=7.890 ppm2=2.235
assign ( resid 177 and name H
)
( resid 177 and name HG12
) 3.0 0.6 0.6 volume=1.592 peak=2056 ppm1=7.887 ppm2=1.631
assign ( resid 177 and name H
)
( resid 177 and name HD1#
) 3.6 0.7 0.7 volume=1.543 peak=2057 ppm1=7.885 ppm2=0.777
assign ( resid 178 and name H
)
( resid 177 and name H
) 3.6 0.7 0.7 volume=0.505 peak=2058 ppm1=8.200 ppm2=7.903
assign ( resid 178 and name H
)
( resid 176 and name H
) 3.8 0.8 0.8 volume=0.336 peak=2059 ppm1=8.203 ppm2=7.599
assign ( resid 178 and name H
)
( resid 127 and name HE#
) 4.4 0.9 0.9 volume=0.291 peak=2060 ppm1=8.196 ppm2=7.213
assign ( resid 179 and name H
)
( resid 127 and name HE#
) 4.2 0.8 0.8 volume=0.377 peak=2061 ppm1=8.144 ppm2=7.205
assign ( resid 178 and name H
)
( resid 174 and name HA
) 3.4 0.7 0.7 volume=0.720 peak=2062 ppm1=8.195 ppm2=4.006
assign ( resid 178 and name H
)
( resid 178 and name HB3
or resid 178 and name HB2
) 3.4 0.7 0.7 volume=0.704 peak=2063 ppm1=8.198 ppm2=3.512
assign ( resid 178 and name H
)
( resid 177 and name HB
) 3.5 0.7 0.7 volume=0.600 peak=2064 ppm1=8.195 ppm2=2.230
assign ( resid 178 and name H
)
( resid 177 and name HG12
) 3.4 0.7 0.7 volume=0.723 peak=2065 ppm1=8.199 ppm2=1.633
assign ( resid 178 and name H
)
( resid 177 and name HG2#
) 4.1 0.8 0.8 volume=0.666 peak=2066 ppm1=8.195 ppm2=1.208
assign ( resid 178 and name H
)
( resid 177 and name HG13
) 3.7 0.7 0.7 volume=0.388 peak=2067 ppm1=8.194 ppm2=1.361
assign ( resid 178 and name H
)
( resid 177 and name HD1#
) 4.7 0.9 0.9 volume=0.287 peak=2068 ppm1=8.202 ppm2=0.790
assign ( resid 178 and name H
)
( resid 177 and name HA
) 4.1 0.8 0.8 volume=0.217 peak=2069 ppm1=8.213 ppm2=3.819
assign ( resid 178 and name HE1
)
( resid 116 and name H
) 3.4 0.7 0.7 volume=0.654 peak=2070 ppm1=9.558 ppm2=7.958
assign ( resid 178 and name HE1
)
( resid 178 and name HD1
) 2.7 0.5 0.5 volume=2.859 peak=2071 ppm1=9.560 ppm2=7.642
assign ( resid 178 and name HE1
)
( resid 178 and name HZ2
) 2.9 0.6 0.6 volume=2.000 peak=2072 ppm1=9.560 ppm2=7.258
assign ( resid 178 and name HE1
)
( resid 73 and name HE#
) 3.8 0.8 0.8 volume=0.735 peak=2073 ppm1=9.560 ppm2=6.835
assign ( resid 178 and name HE1
)
( resid 178 and name HB3
or resid 178 and name HB2
) 3.6 0.7 0.7 volume=0.504 peak=2074 ppm1=9.561 ppm2=3.521
assign ( resid 178 and name HE1
)
( resid 116 and name HA
) 3.2 0.6 0.6 volume=0.948 peak=2075 ppm1=9.561 ppm2=4.132
assign ( resid 178 and name HE1
)
( resid 115 and name HA2
or resid 115 and name HA3
) 3.3 0.7 0.7 volume=0.899 peak=2076 ppm1=9.560 ppm2=3.991
assign ( resid 178 and name HE1
)
( resid 116 and name HB#
) 3.2 0.6 0.6 volume=3.026 peak=2077 ppm1=9.560 ppm2=1.621
assign ( resid 179 and name H
)
( resid 178 and name HE3
) 3.5 0.7 0.7 volume=0.581 peak=2078 ppm1=8.142 ppm2=6.881
assign ( resid 179 and name H
)
( resid 179 and name HA
) 3.2 0.6 0.6 volume=1.083 peak=2079 ppm1=8.144 ppm2=4.217
assign ( resid 179 and name H
)
( resid 178 and name HB3
or resid 178 and name HB2
) 3.5 0.7 0.7 volume=0.562 peak=2080 ppm1=8.143 ppm2=3.514
assign ( resid 179 and name H
)
( resid 179 and name HB3
) 3.3 0.7 0.7 volume=0.865 peak=2081 ppm1=8.141 ppm2=1.964
assign ( resid 179 and name H
)
( resid 179 and name HB2
or resid 179 and name HG
) 3.0 0.6 0.6 volume=1.535 peak=2082 ppm1=8.143 ppm2=1.813
assign ( resid 179 and name H
)
( resid 179 and name HD2#
) 4.1 0.8 0.8 volume=0.703 peak=2083 ppm1=8.145 ppm2=0.889
assign ( resid 179 and name H
)
( resid 179 and name HD1#
) 4.2 0.8 0.8 volume=0.615 peak=2084 ppm1=8.142 ppm2=0.832
assign ( resid 179 and name H
)
( resid 177 and name H
) 3.7 0.7 0.7 volume=0.412 peak=2085 ppm1=8.147 ppm2=7.925
assign ( resid 180 and name H
)
( resid 179 and name HD1#
) 4.2 0.8 0.8 volume=0.626 peak=2086 ppm1=8.399 ppm2=0.824
assign ( resid 181 and name H
)
( resid 180 and name HD2#
or resid 180 and name HD1#
or resid 188 and name HD1#
) 3.7 0.7 0.7 volume=1.199 peak=2087 ppm1=8.072 ppm2=1.021
assign ( resid 181 and name H
)
( resid 177 and name HG2#
) 4.6 0.9 0.9 volume=0.336 peak=2088 ppm1=8.071 ppm2=1.203
assign ( resid 181 and name H
)
( resid 180 and name HB2
) 3.5 0.7 0.7 volume=0.610 peak=2089 ppm1=8.073 ppm2=1.815
assign ( resid 181 and name H
)
( resid 180 and name HB3
) 3.7 0.7 0.7 volume=0.421 peak=2090 ppm1=8.075 ppm2=2.081
assign ( resid 181 and name H
)
( resid 177 and name HA
) 3.9 0.8 0.8 volume=0.300 peak=2091 ppm1=8.072 ppm2=3.853
assign ( resid 181 and name H
)
( resid 179 and name HA
or resid 181 and name HA3
or resid 181 and name HA2
) 3.2 0.6 0.6 volume=1.083 peak=2092 ppm1=8.072 ppm2=4.221
assign ( resid 181 and name H
)
( resid 180 and name HA
) 3.4 0.7 0.7 volume=0.752 peak=2093 ppm1=8.071 ppm2=4.619
assign ( resid 181 and name H
)
( resid 184 and name H
) 4.2 0.8 0.8 volume=0.195 peak=2094 ppm1=8.081 ppm2=7.175
assign ( resid 181 and name H
)
( resid 180 and name H
) 3.4 0.7 0.7 volume=0.655 peak=2095 ppm1=8.072 ppm2=8.403
assign ( resid 185 and name H
)
( resid 181 and name H
or resid 186 and name H
or resid 187 and name H
) 3.2 0.6 0.6 volume=0.981 peak=2096 ppm1=9.122 ppm2=8.038
assign ( resid 185 and name H
)
( resid 184 and name H
) 3.5 0.7 0.7 volume=0.553 peak=2097 ppm1=9.123 ppm2=7.176
assign ( resid 185 and name H
)
( resid 180 and name HA
) 3.9 0.8 0.8 volume=0.286 peak=2098 ppm1=9.126 ppm2=4.646
assign ( resid 185 and name H
)
( resid 184 and name HA2
or resid 185 and name HA
) 2.8 0.6 0.6 volume=2.015 peak=2099 ppm1=9.123 ppm2=4.305
assign ( resid 185 and name H
)
( resid 184 and name HA3
) 3.3 0.7 0.7 volume=0.799 peak=2100 ppm1=9.124 ppm2=4.108
assign ( resid 185 and name H
)
( resid 186 and name HA
) 3.8 0.8 0.8 volume=0.335 peak=2101 ppm1=9.124 ppm2=3.475
assign ( resid 185 and name H
)
( resid 185 and name HB
) 3.5 0.7 0.7 volume=0.603 peak=2102 ppm1=9.124 ppm2=2.576
assign ( resid 185 and name H
)
( resid 179 and name HG
or resid 187 and name HG
) 3.7 0.7 0.7 volume=0.401 peak=2103 ppm1=9.126 ppm2=1.805
assign ( resid 185 and name H
)
( resid 185 and name HG1#
or resid 185 and name HG2#
) 3.3 0.7 0.7 volume=2.327 peak=2104 ppm1=9.122 ppm2=1.269
assign ( resid 185 and name H
)
( resid 179 and name HD2#
) 4.6 0.9 0.9 volume=0.355 peak=2105 ppm1=9.120 ppm2=0.887
assign ( resid 186 and name H
)
( resid 187 and name HG
or resid 187 and name HB3
or resid 187 and name HB2
) 3.9 0.8 0.8 volume=0.307 peak=2106 ppm1=8.029 ppm2=1.821
assign ( resid 187 and name H
)
( resid 185 and name HG1#
or resid 185 and name HG2#
) 3.7 0.7 0.7 volume=1.167 peak=2107 ppm1=8.030 ppm2=1.281
assign ( resid 187 and name H
)
( resid 186 and name HB#
) 3.9 0.8 0.8 volume=0.954 peak=2108 ppm1=8.028 ppm2=1.512
assign ( resid 187 and name H
)
( resid 180 and name HB2
or resid 187 and name HG
or resid 187 and name HB3
or resid 187 and name HB2
) 2.8 0.6 0.6 volume=2.299 peak=2109 ppm1=8.031 ppm2=1.811
assign ( resid 187 and name H
)
( resid 185 and name HB
) 3.8 0.8 0.8 volume=0.352 peak=2110 ppm1=8.036 ppm2=2.571
assign ( resid 187 and name H
)
( resid 186 and name HA
) 3.3 0.7 0.7 volume=0.769 peak=2111 ppm1=8.031 ppm2=3.468
assign ( resid 187 and name H
)
( resid 187 and name HA
) 3.2 0.6 0.6 volume=1.083 peak=2112 ppm1=8.029 ppm2=4.484
assign ( resid 187 and name H
)
( resid 185 and name H
) 4.3 0.9 0.9 volume=0.163 peak=2113 ppm1=8.034 ppm2=9.110
assign ( resid 188 and name H
)
( resid 185 and name HG2#
) 3.8 0.8 0.8 volume=0.993 peak=2114 ppm1=8.019 ppm2=1.283
assign ( resid 188 and name H
)
( resid 180 and name HB2
or resid 187 and name HG
or resid 187 and name HB3
or resid 187 and name HB2
) 2.6 0.5 0.5 volume=3.641 peak=2115 ppm1=8.018 ppm2=1.810
assign ( resid 188 and name H
)
( resid 180 and name HB3
or resid 188 and name HG
) 3.2 0.6 0.6 volume=0.926 peak=2116 ppm1=8.010 ppm2=2.091
assign ( resid 188 and name H
)
( resid 186 and name HA
) 3.3 0.7 0.7 volume=0.820 peak=2117 ppm1=8.013 ppm2=3.465
assign ( resid 188 and name H
)
( resid 181 and name HA3
or resid 181 and name HA2
) 3.1 0.6 0.6 volume=1.166 peak=2118 ppm1=8.023 ppm2=4.253
assign ( resid 188 and name H
)
( resid 187 and name HA
) 3.0 0.6 0.6 volume=1.426 peak=2119 ppm1=8.018 ppm2=4.475
assign ( resid 188 and name H
)
( resid 180 and name HA
) 3.2 0.6 0.6 volume=0.966 peak=2120 ppm1=8.022 ppm2=4.619
assign ( resid 188 and name H
)
( resid 188 and name HA
) 3.2 0.6 0.6 volume=1.083 peak=2121 ppm1=8.024 ppm2=4.788
assign ( resid 188 and name H
)
( resid 189 and name H
) 3.6 0.7 0.7 volume=0.496 peak=2122 ppm1=8.025 ppm2=7.813
assign ( resid 191 and name H
)
( resid 192 and name H
) 3.3 0.7 0.7 volume=0.790 peak=2123 ppm1=7.789 ppm2=7.259
assign ( resid 189 and name H
)
( resid 188 and name H
) 3.8 0.8 0.8 volume=0.360 peak=2124 ppm1=7.807 ppm2=8.034
assign ( resid 189 and name H
)
( resid 192 and name H
) 4.0 0.8 0.8 volume=0.248 peak=2125 ppm1=7.801 ppm2=7.258
assign ( resid 189 and name H
)
( resid 189 and name HB
) 3.7 0.7 0.7 volume=0.396 peak=2126 ppm1=7.805 ppm2=4.924
assign ( resid 189 and name H
)
( resid 188 and name HA
) 2.8 0.6 0.6 volume=2.247 peak=2127 ppm1=7.805 ppm2=4.792
assign ( resid 189 and name H
)
( resid 192 and name HB
) 3.2 0.6 0.6 volume=1.002 peak=2128 ppm1=7.804 ppm2=2.253
assign ( resid 189 and name H
)
( resid 189 and name HG2#
) 3.2 0.6 0.6 volume=2.896 peak=2129 ppm1=7.805 ppm2=1.625
assign ( resid 189 and name H
)
( resid 192 and name HG1#
or resid 192 and name HG2#
) 3.5 0.7 0.7 volume=1.866 peak=2130 ppm1=7.805 ppm2=1.147
assign ( resid 189 and name H
)
( resid 188 and name HD2#
) 3.6 0.7 0.7 volume=1.529 peak=2131 ppm1=7.807 ppm2=0.960
assign ( resid 191 and name H
)
( resid 189 and name HA
) 3.2 0.6 0.6 volume=1.004 peak=2132 ppm1=7.794 ppm2=4.700
assign ( resid 191 and name H
)
( resid 189 and name HB
) 3.3 0.7 0.7 volume=0.785 peak=2133 ppm1=7.787 ppm2=4.925
assign ( resid 191 and name H
)
( resid 191 and name HB
) 2.8 0.6 0.6 volume=2.320 peak=2134 ppm1=7.789 ppm2=4.098
assign ( resid 191 and name H
)
( resid 191 and name HA
) 3.2 0.6 0.6 volume=1.083 peak=2135 ppm1=7.787 ppm2=3.771
assign ( resid 191 and name H
)
( resid 1 and name HE#
) 3.6 0.7 0.7 volume=1.442 peak=2136 ppm1=7.788 ppm2=2.248
assign ( resid 191 and name H
)
( resid 189 and name HG2#
) 3.9 0.8 0.8 volume=0.904 peak=2137 ppm1=7.790 ppm2=1.626
assign ( resid 191 and name H
)
( resid 191 and name HG2#
) 3.7 0.7 0.7 volume=1.320 peak=2138 ppm1=7.789 ppm2=1.271
assign ( resid 191 and name H
)
( resid 192 and name HG1#
or resid 192 and name HG2#
) 4.1 0.8 0.8 volume=0.714 peak=2139 ppm1=7.786 ppm2=1.154
assign ( resid 191 and name H
)
( resid 4 and name HD2#
) 4.1 0.8 0.8 volume=0.645 peak=2140 ppm1=7.788 ppm2=0.925
assign ( resid 191 and name H
)
( resid 4 and name HD1#
) 4.2 0.8 0.8 volume=0.622 peak=2141 ppm1=7.787 ppm2=0.680
assign ( resid 192 and name H
)
( resid 192 and name HG1#
or resid 192 and name HG2#
) 3.1 0.6 0.6 volume=3.517 peak=2142 ppm1=7.252 ppm2=1.152
assign ( resid 192 and name H
)
( resid 189 and name HG2#
) 4.1 0.8 0.8 volume=0.664 peak=2143 ppm1=7.249 ppm2=1.583
assign ( resid 192 and name H
)
( resid 192 and name HB
) 3.0 0.6 0.6 volume=1.609 peak=2144 ppm1=7.252 ppm2=2.254
assign ( resid 192 and name H
)
( resid 192 and name HA
) 3.2 0.6 0.6 volume=1.083 peak=2145 ppm1=7.252 ppm2=3.613
assign ( resid 192 and name H
)
( resid 191 and name HA
) 3.7 0.7 0.7 volume=0.442 peak=2146 ppm1=7.250 ppm2=3.767
assign ( resid 192 and name H
)
( resid 191 and name HB
) 3.1 0.6 0.6 volume=1.149 peak=2147 ppm1=7.251 ppm2=4.103
assign ( resid 192 and name H
)
( resid 189 and name HA
) 3.8 0.8 0.8 volume=0.351 peak=2148 ppm1=7.244 ppm2=4.710
assign ( resid 192 and name H
)
( resid 189 and name H
or resid 191 and name H
) 3.3 0.7 0.7 volume=0.872 peak=2149 ppm1=7.253 ppm2=7.787
assign ( resid 192 and name H
)
( resid 193 and name H
or resid 194 and name H
) 3.4 0.7 0.7 volume=0.748 peak=2150 ppm1=7.252 ppm2=8.202
assign ( resid 193 and name H
)
( resid 192 and name HB
) 3.3 0.7 0.7 volume=0.871 peak=2151 ppm1=8.205 ppm2=2.254
assign ( resid 193 and name H
)
( resid 189 and name H
or resid 191 and name H
) 4.1 0.8 0.8 volume=0.215 peak=2152 ppm1=8.213 ppm2=7.791
assign ( resid 124 and name H
)
( resid 124 and name HD#
) 3.3 0.7 0.7 volume=1.520 peak=2153 ppm1=8.212 ppm2=7.417
assign ( resid 124 and name H
)
( resid 124 and name HB3
) 3.2 0.6 0.6 volume=1.047 peak=2154 ppm1=8.212 ppm2=3.270
assign ( resid 124 and name H
)
( resid 124 and name HB2
) 3.2 0.6 0.6 volume=0.993 peak=2155 ppm1=8.213 ppm2=3.158
assign ( resid 239 and name H
)
( resid 239 and name HB3
) 3.2 0.6 0.6 volume=1.067 peak=2156 ppm1=8.212 ppm2=2.907
assign ( resid 239 and name H
)
( resid 239 and name HB2
) 3.0 0.6 0.6 volume=1.361 peak=2157 ppm1=8.211 ppm2=2.824
assign ( resid 194 and name H
)
( resid 194 and name HG1#
) 3.5 0.7 0.7 volume=1.634 peak=2158 ppm1=8.147 ppm2=0.446
assign ( resid 194 and name H
)
( resid 4 and name HD1#
) 3.9 0.8 0.8 volume=0.946 peak=2159 ppm1=8.165 ppm2=0.692
assign ( resid 194 and name H
)
( resid 194 and name HG2#
) 3.2 0.6 0.6 volume=2.873 peak=2160 ppm1=8.148 ppm2=0.819
assign ( resid 194 and name H
)
( resid 4 and name HD2#
or resid 7 and name HD1#
or resid 7 and name HD2#
) 3.4 0.7 0.7 volume=1.971 peak=2161 ppm1=8.145 ppm2=0.921
assign ( resid 194 and name H
)
( resid 192 and name HG1#
or resid 192 and name HG2#
) 3.6 0.7 0.7 volume=1.393 peak=2162 ppm1=8.146 ppm2=1.147
assign ( resid 194 and name H
)
( resid 195 and name HB#
) 3.9 0.8 0.8 volume=0.961 peak=2163 ppm1=8.154 ppm2=1.549
assign ( resid 194 and name H
)
( resid 194 and name HB
) 2.8 0.6 0.6 volume=2.151 peak=2164 ppm1=8.146 ppm2=1.889
assign ( resid 194 and name H
)
( resid 194 and name HA
) 3.2 0.6 0.6 volume=1.083 peak=2165 ppm1=8.152 ppm2=3.321
assign ( resid 194 and name H
)
( resid 191 and name HA
) 3.4 0.7 0.7 volume=0.754 peak=2166 ppm1=8.158 ppm2=3.773
assign ( resid 194 and name H
)
( resid 195 and name H
) 3.1 0.6 0.6 volume=1.140 peak=2167 ppm1=8.147 ppm2=8.368
assign ( resid 196 and name H
)
( resid 196 and name HD1#
or resid 196 and name HD2#
) 3.3 0.7 0.7 volume=2.378 peak=2168 ppm1=8.512 ppm2=0.909
assign ( resid 196 and name H
)
( resid 192 and name HG1#
or resid 192 and name HG2#
) 3.9 0.8 0.8 volume=0.978 peak=2169 ppm1=8.513 ppm2=1.146
assign ( resid 196 and name H
)
( resid 196 and name HB3
) 3.2 0.6 0.6 volume=0.998 peak=2170 ppm1=8.512 ppm2=1.381
assign ( resid 196 and name H
)
( resid 195 and name HB#
or resid 197 and name HG12
) 3.1 0.6 0.6 volume=1.963 peak=2171 ppm1=8.513 ppm2=1.553
assign ( resid 196 and name H
)
( resid 194 and name HB
) 3.9 0.8 0.8 volume=0.296 peak=2172 ppm1=8.514 ppm2=1.877
assign ( resid 196 and name H
)
( resid 196 and name HG
or resid 196 and name HB2
) 2.9 0.6 0.6 volume=1.646 peak=2173 ppm1=8.511 ppm2=2.105
assign ( resid 196 and name H
)
( resid 197 and name HB
) 3.7 0.7 0.7 volume=0.447 peak=2174 ppm1=8.510 ppm2=2.327
assign ( resid 196 and name H
)
( resid 196 and name HA
) 3.2 0.6 0.6 volume=1.083 peak=2175 ppm1=8.514 ppm2=4.096
assign ( resid 196 and name H
)
( resid 195 and name HA
) 3.6 0.7 0.7 volume=0.507 peak=2176 ppm1=8.518 ppm2=3.974
assign ( resid 196 and name H
)
( resid 197 and name H
) 3.4 0.7 0.7 volume=0.639 peak=2177 ppm1=8.512 ppm2=8.079
assign ( resid 196 and name H
)
( resid 195 and name H
) 3.4 0.7 0.7 volume=0.717 peak=2178 ppm1=8.510 ppm2=8.363
assign ( resid 197 and name H
)
( resid 196 and name HD2#
or resid 198 and name HG1#
) 3.6 0.7 0.7 volume=1.390 peak=2179 ppm1=8.057 ppm2=0.916
assign ( resid 197 and name H
)
( resid 197 and name HD1#
or resid 198 and name HG2#
) 3.6 0.7 0.7 volume=1.536 peak=2180 ppm1=8.059 ppm2=1.119
assign ( resid 197 and name H
)
( resid 196 and name HB3
) 3.4 0.7 0.7 volume=0.748 peak=2181 ppm1=8.057 ppm2=1.394
assign ( resid 197 and name H
)
( resid 197 and name HG12
) 2.9 0.6 0.6 volume=1.863 peak=2182 ppm1=8.058 ppm2=1.555
assign ( resid 197 and name H
)
( resid 196 and name HG
or resid 196 and name HB2
) 3.2 0.6 0.6 volume=0.948 peak=2183 ppm1=8.059 ppm2=2.133
assign ( resid 197 and name H
)
( resid 197 and name HB
or resid 198 and name HB
) 2.9 0.6 0.6 volume=1.967 peak=2184 ppm1=8.058 ppm2=2.336
assign ( resid 197 and name H
)
( resid 194 and name HA
) 3.3 0.7 0.7 volume=0.877 peak=2185 ppm1=8.063 ppm2=3.340
assign ( resid 197 and name H
)
( resid 197 and name HA
) 3.2 0.6 0.6 volume=1.083 peak=2186 ppm1=8.059 ppm2=3.890
assign ( resid 197 and name H
)
( resid 196 and name HA
) 3.3 0.7 0.7 volume=0.820 peak=2187 ppm1=8.056 ppm2=4.097
assign ( resid 197 and name H
)
( resid 195 and name H
) 3.9 0.8 0.8 volume=0.287 peak=2188 ppm1=8.050 ppm2=8.352
assign ( resid 197 and name H
)
( resid 196 and name H
or resid 200 and name H
) 3.4 0.7 0.7 volume=0.706 peak=2189 ppm1=8.056 ppm2=8.526
assign ( resid 197 and name H
)
( resid 198 and name H
) 3.4 0.7 0.7 volume=0.744 peak=2190 ppm1=8.059 ppm2=8.748
assign ( resid 199 and name H
)
( resid 198 and name H
) 3.5 0.7 0.7 volume=0.630 peak=2191 ppm1=7.519 ppm2=8.748
assign ( resid 199 and name H
)
( resid 200 and name H
) 3.4 0.7 0.7 volume=0.747 peak=2192 ppm1=7.515 ppm2=8.563
assign ( resid 198 and name H
)
( resid 198 and name HG1#
) 3.5 0.7 0.7 volume=1.893 peak=2193 ppm1=8.752 ppm2=0.908
assign ( resid 198 and name H
)
( resid 198 and name HG2#
) 3.4 0.7 0.7 volume=2.163 peak=2194 ppm1=8.751 ppm2=1.147
assign ( resid 198 and name H
)
( resid 194 and name HG1#
) 4.5 0.9 0.9 volume=0.390 peak=2195 ppm1=8.753 ppm2=0.443
assign ( resid 198 and name H
)
( resid 196 and name HB3
) 4.1 0.8 0.8 volume=0.220 peak=2196 ppm1=8.743 ppm2=1.408
assign ( resid 198 and name H
)
( resid 197 and name HB
or resid 198 and name HB
) 2.8 0.6 0.6 volume=2.268 peak=2197 ppm1=8.752 ppm2=2.341
assign ( resid 198 and name H
)
( resid 199 and name HB2
) 3.9 0.8 0.8 volume=0.301 peak=2198 ppm1=8.750 ppm2=3.079
assign ( resid 198 and name H
)
( resid 199 and name HB3
) 3.6 0.7 0.7 volume=0.490 peak=2199 ppm1=8.755 ppm2=3.382
assign ( resid 198 and name H
)
( resid 198 and name HA
) 3.2 0.6 0.6 volume=1.083 peak=2200 ppm1=8.750 ppm2=4.181
assign ( resid 198 and name H
)
( resid 195 and name HA
) 3.5 0.7 0.7 volume=0.617 peak=2201 ppm1=8.751 ppm2=3.976
assign ( resid 198 and name H
)
( resid 197 and name HA
) 3.8 0.8 0.8 volume=0.339 peak=2202 ppm1=8.755 ppm2=3.907
assign ( resid 198 and name H
)
( resid 199 and name H
) 3.3 0.7 0.7 volume=0.764 peak=2203 ppm1=8.755 ppm2=7.514
assign ( resid 198 and name H
)
( resid 197 and name H
) 3.3 0.7 0.7 volume=0.827 peak=2204 ppm1=8.753 ppm2=8.066
assign ( resid 198 and name H
)
( resid 196 and name H
or resid 200 and name H
) 3.8 0.8 0.8 volume=0.381 peak=2205 ppm1=8.754 ppm2=8.529
assign ( resid 199 and name H
)
( resid 198 and name HG1#
or resid 202 and name HD1#
) 3.5 0.7 0.7 volume=1.798 peak=2206 ppm1=7.517 ppm2=0.904
assign ( resid 199 and name H
)
( resid 197 and name HA
) 3.7 0.7 0.7 volume=0.425 peak=2207 ppm1=7.521 ppm2=3.896
assign ( resid 200 and name H
)
( resid 200 and name HB3
) 3.4 0.7 0.7 volume=0.654 peak=2208 ppm1=8.562 ppm2=1.589
assign ( resid 200 and name H
)
( resid 200 and name HB2
) 3.4 0.7 0.7 volume=0.658 peak=2209 ppm1=8.567 ppm2=1.512
assign ( resid 200 and name H
)
( resid 200 and name HG
) 3.2 0.6 0.6 volume=0.940 peak=2210 ppm1=8.570 ppm2=1.867
assign ( resid 200 and name H
)
( resid 199 and name HB2
) 3.4 0.7 0.7 volume=0.651 peak=2211 ppm1=8.568 ppm2=3.080
assign ( resid 200 and name H
)
( resid 199 and name HB3
) 3.5 0.7 0.7 volume=0.633 peak=2212 ppm1=8.564 ppm2=3.405
assign ( resid 200 and name H
)
( resid 197 and name HA
or resid 200 and name HA
) 3.2 0.6 0.6 volume=1.083 peak=2213 ppm1=8.567 ppm2=3.887
assign ( resid 200 and name H
)
( resid 196 and name HA
or resid 199 and name HA
) 3.3 0.7 0.7 volume=0.844 peak=2214 ppm1=8.569 ppm2=4.105
assign ( resid 200 and name H
)
( resid 199 and name HD#
) 4.2 0.8 0.8 volume=0.406 peak=2215 ppm1=8.566 ppm2=7.014
assign ( resid 200 and name H
)
( resid 199 and name H
) 3.5 0.7 0.7 volume=0.571 peak=2216 ppm1=8.571 ppm2=7.527
assign ( resid 200 and name H
)
( resid 201 and name H
) 3.8 0.8 0.8 volume=0.374 peak=2217 ppm1=8.569 ppm2=9.724
assign ( resid 201 and name H
)
( resid 200 and name HD1#
) 4.5 0.9 0.9 volume=0.401 peak=2218 ppm1=9.717 ppm2=0.287
assign ( resid 201 and name H
)
( resid 198 and name HG1#
or resid 202 and name HD1#
) 4.3 0.9 0.9 volume=0.509 peak=2219 ppm1=9.716 ppm2=0.878
assign ( resid 201 and name H
)
( resid 200 and name HB2
) 3.4 0.7 0.7 volume=0.711 peak=2220 ppm1=9.714 ppm2=1.516
assign ( resid 201 and name H
)
( resid 202 and name HB3
) 3.7 0.7 0.7 volume=0.399 peak=2221 ppm1=9.719 ppm2=2.320
assign ( resid 201 and name H
)
( resid 202 and name HB2
) 3.6 0.7 0.7 volume=0.457 peak=2222 ppm1=9.711 ppm2=2.190
assign ( resid 201 and name H
)
( resid 201 and name HB2
) 3.6 0.7 0.7 volume=0.480 peak=2223 ppm1=9.710 ppm2=2.641
assign ( resid 201 and name H
)
( resid 201 and name HB3
) 3.5 0.7 0.7 volume=0.604 peak=2224 ppm1=9.717 ppm2=3.236
assign ( resid 201 and name H
)
( resid 197 and name HA
or resid 200 and name HA
) 3.4 0.7 0.7 volume=0.725 peak=2225 ppm1=9.716 ppm2=3.887
assign ( resid 201 and name H
)
( resid 198 and name HA
or resid 201 and name HA
) 3.2 0.6 0.6 volume=1.083 peak=2226 ppm1=9.717 ppm2=4.202
assign ( resid 201 and name H
)
( resid 200 and name H
or resid 202 and name H
) 3.5 0.7 0.7 volume=0.566 peak=2227 ppm1=9.712 ppm2=8.528
assign ( resid 201 and name H
)
( resid 174 and name HH
) 4.2 0.8 0.8 volume=0.204 peak=2228 ppm1=9.717 ppm2=9.964
assign ( resid 202 and name H
)
( resid 202 and name HD2#
or resid 203 and name HG1#
or resid 203 and name HG2#
) 3.6 0.7 0.7 volume=1.550 peak=2229 ppm1=8.493 ppm2=1.028
assign ( resid 202 and name H
)
( resid 198 and name HA
or resid 201 and name HA
or resid 202 and name HA
) 3.2 0.6 0.6 volume=1.083 peak=2230 ppm1=8.489 ppm2=4.198
assign ( resid 202 and name H
)
( resid 202 and name HB3
) 3.2 0.6 0.6 volume=1.090 peak=2231 ppm1=8.493 ppm2=2.334
assign ( resid 203 and name H
)
( resid 170 and name HD2#
) 3.9 0.8 0.8 volume=0.853 peak=2232 ppm1=8.394 ppm2=1.211
assign ( resid 203 and name H
)
( resid 202 and name HD2#
or resid 203 and name HG1#
or resid 203 and name HG2#
) 3.0 0.6 0.6 volume=4.163 peak=2233 ppm1=8.390 ppm2=1.002
assign ( resid 203 and name H
)
( resid 202 and name HB3
or resid 203 and name HB
) 2.9 0.6 0.6 volume=1.995 peak=2234 ppm1=8.395 ppm2=2.303
assign ( resid 203 and name H
)
( resid 203 and name HA
) 3.2 0.6 0.6 volume=1.083 peak=2235 ppm1=8.394 ppm2=3.606
assign ( resid 203 and name H
)
( resid 200 and name HA
) 3.4 0.7 0.7 volume=0.645 peak=2236 ppm1=8.394 ppm2=3.885
assign ( resid 203 and name H
)
( resid 204 and name H
) 3.4 0.7 0.7 volume=0.744 peak=2237 ppm1=8.396 ppm2=9.398
assign ( resid 204 and name H
)
( resid 170 and name HD2#
) 4.0 0.8 0.8 volume=0.756 peak=2238 ppm1=9.394 ppm2=1.169
assign ( resid 204 and name H
)
( resid 170 and name HD1#
or resid 203 and name HG2#
) 3.7 0.7 0.7 volume=1.281 peak=2239 ppm1=9.396 ppm2=1.064
assign ( resid 204 and name H
)
( resid 204 and name HG2#
) 3.7 0.7 0.7 volume=1.222 peak=2240 ppm1=9.398 ppm2=1.830
assign ( resid 204 and name H
)
( resid 203 and name HB
) 3.2 0.6 0.6 volume=0.984 peak=2241 ppm1=9.397 ppm2=2.297
assign ( resid 204 and name H
)
( resid 203 and name HA
) 3.9 0.8 0.8 volume=0.311 peak=2242 ppm1=9.394 ppm2=3.601
assign ( resid 204 and name H
)
( resid 200 and name HA
) 3.9 0.8 0.8 volume=0.309 peak=2243 ppm1=9.390 ppm2=3.891
assign ( resid 204 and name H
)
( resid 201 and name HA
or resid 202 and name HA
or resid 204 and name HA
) 3.2 0.6 0.6 volume=1.083 peak=2244 ppm1=9.392 ppm2=4.182
assign ( resid 204 and name H
)
( resid 205 and name H
) 3.7 0.7 0.7 volume=0.406 peak=2245 ppm1=9.397 ppm2=7.709
assign ( resid 204 and name H
)
( resid 203 and name H
) 3.5 0.7 0.7 volume=0.622 peak=2246 ppm1=9.398 ppm2=8.403
assign ( resid 204 and name H
)
( resid 204 and name HB
) 4.0 0.8 0.8 volume=0.278 peak=2247 ppm1=9.409 ppm2=4.668
assign ( resid 205 and name H
)
( resid 206 and name H
) 3.5 0.7 0.7 volume=0.588 peak=2248 ppm1=7.701 ppm2=7.842
assign ( resid 205 and name H
)
( resid 208 and name H
) 4.3 0.9 0.9 volume=0.182 peak=2249 ppm1=7.709 ppm2=7.517
assign ( resid 205 and name H
)
( resid 206 and name HG2#
) 4.3 0.9 0.9 volume=0.476 peak=2250 ppm1=7.705 ppm2=1.423
assign ( resid 205 and name H
)
( resid 15 and name HE#
) 3.9 0.8 0.8 volume=0.909 peak=2251 ppm1=7.699 ppm2=2.220
assign ( resid 205 and name H
)
( resid 201 and name HB2
or resid 206 and name HB
) 3.7 0.7 0.7 volume=0.388 peak=2252 ppm1=7.698 ppm2=2.654
assign ( resid 205 and name H
)
( resid 201 and name HA
or resid 202 and name HA
or resid 204 and name HA
) 3.3 0.7 0.7 volume=0.807 peak=2253 ppm1=7.703 ppm2=4.190
assign ( resid 205 and name H
)
( resid 204 and name HB
) 4.0 0.8 0.8 volume=0.255 peak=2254 ppm1=7.696 ppm2=4.635
assign ( resid 205 and name H
)
( resid 207 and name H
) 4.2 0.8 0.8 volume=0.187 peak=2255 ppm1=7.705 ppm2=9.137
assign ( resid 205 and name H
)
( resid 204 and name H
) 3.7 0.7 0.7 volume=0.393 peak=2256 ppm1=7.699 ppm2=9.400
assign ( resid 206 and name H
)
( resid 205 and name H
) 3.5 0.7 0.7 volume=0.632 peak=2257 ppm1=7.837 ppm2=7.704
assign ( resid 206 and name H
)
( resid 208 and name H
) 3.9 0.8 0.8 volume=0.306 peak=2258 ppm1=7.839 ppm2=7.512
assign ( resid 206 and name H
)
( resid 206 and name HG1#
) 3.4 0.7 0.7 volume=2.120 peak=2259 ppm1=7.839 ppm2=1.034
assign ( resid 206 and name H
)
( resid 206 and name HG2#
) 3.5 0.7 0.7 volume=1.784 peak=2260 ppm1=7.838 ppm2=1.422
assign ( resid 206 and name H
)
( resid 204 and name HG2#
) 4.6 0.9 0.9 volume=0.322 peak=2261 ppm1=7.829 ppm2=1.858
assign ( resid 206 and name H
)
( resid 202 and name HB3
) 3.7 0.7 0.7 volume=0.398 peak=2262 ppm1=7.829 ppm2=2.327
assign ( resid 206 and name H
)
( resid 15 and name HE#
or resid 202 and name HB2
) 3.4 0.7 0.7 volume=1.008 peak=2263 ppm1=7.838 ppm2=2.210
assign ( resid 206 and name H
)
( resid 206 and name HB
) 3.1 0.6 0.6 volume=1.119 peak=2264 ppm1=7.839 ppm2=2.645
assign ( resid 206 and name H
)
( resid 202 and name HA
or resid 206 and name HA
) 3.2 0.6 0.6 volume=1.083 peak=2265 ppm1=7.836 ppm2=4.213
assign ( resid 206 and name H
)
( resid 207 and name H
) 3.6 0.7 0.7 volume=0.520 peak=2266 ppm1=7.839 ppm2=9.134
assign ( resid 207 and name H
)
( resid 203 and name HG1#
or resid 203 and name HG2#
or resid 206 and name HG1#
) 3.8 0.8 0.8 volume=1.155 peak=2267 ppm1=9.124 ppm2=1.033
assign ( resid 207 and name H
)
( resid 206 and name HG2#
) 4.3 0.9 0.9 volume=0.502 peak=2268 ppm1=9.122 ppm2=1.424
assign ( resid 207 and name H
)
( resid 206 and name HB
) 3.6 0.7 0.7 volume=0.465 peak=2269 ppm1=9.126 ppm2=2.636
assign ( resid 207 and name H
)
( resid 203 and name HA
or resid 207 and name HA2
) 3.3 0.7 0.7 volume=0.892 peak=2270 ppm1=9.123 ppm2=3.599
assign ( resid 207 and name H
)
( resid 202 and name HA
or resid 204 and name HA
or resid 206 and name HA
) 3.3 0.7 0.7 volume=0.809 peak=2271 ppm1=9.129 ppm2=4.200
assign ( resid 207 and name H
)
( resid 208 and name H
) 3.9 0.8 0.8 volume=0.314 peak=2272 ppm1=9.122 ppm2=7.507
assign ( resid 207 and name H
)
( resid 206 and name H
) 3.6 0.7 0.7 volume=0.460 peak=2273 ppm1=9.122 ppm2=7.842
assign ( resid 208 and name H
)
( resid 207 and name H
or resid 210 and name H
) 3.7 0.7 0.7 volume=0.412 peak=2274 ppm1=7.498 ppm2=9.142
assign ( resid 208 and name H
)
( resid 209 and name H
) 3.9 0.8 0.8 volume=0.290 peak=2275 ppm1=7.503 ppm2=8.075
assign ( resid 208 and name H
)
( resid 206 and name H
) 4.2 0.8 0.8 volume=0.192 peak=2276 ppm1=7.501 ppm2=7.850
assign ( resid 208 and name H
)
( resid 204 and name HA
or resid 206 and name HA
) 3.4 0.7 0.7 volume=0.664 peak=2277 ppm1=7.500 ppm2=4.180
assign ( resid 208 and name H
)
( resid 207 and name HA3
or resid 208 and name HA
) 3.2 0.6 0.6 volume=1.083 peak=2278 ppm1=7.501 ppm2=3.903
assign ( resid 208 and name H
)
( resid 203 and name HA
or resid 207 and name HA2
) 3.7 0.7 0.7 volume=0.390 peak=2279 ppm1=7.499 ppm2=3.583
assign ( resid 208 and name H
)
( resid 208 and name HB2
) 3.6 0.7 0.7 volume=0.514 peak=2280 ppm1=7.504 ppm2=3.257
assign ( resid 208 and name H
)
( resid 208 and name HB3
) 3.6 0.7 0.7 volume=0.516 peak=2281 ppm1=7.498 ppm2=3.017
assign ( resid 208 and name H
)
( resid 166 and name HD1#
or resid 211 and name HG12
) 3.7 0.7 0.7 volume=0.583 peak=2282 ppm1=7.501 ppm2=1.200
assign ( resid 208 and name H
)
( resid 166 and name HD2#
or resid 203 and name HG2#
) 4.1 0.8 0.8 volume=0.650 peak=2283 ppm1=7.502 ppm2=1.058
assign ( resid 208 and name H
)
( resid 206 and name HG2#
) 5.1 1.0 1.0 volume=0.190 peak=2284 ppm1=7.491 ppm2=1.434
assign ( resid 209 and name H
)
( resid 22 and name HE#
) 4.2 0.8 0.8 volume=0.410 peak=2285 ppm1=8.062 ppm2=7.133
assign ( resid 209 and name H
)
( resid 208 and name HD#
) 3.8 0.8 0.8 volume=0.762 peak=2286 ppm1=8.067 ppm2=6.989
assign ( resid 209 and name H
)
( resid 208 and name H
) 3.7 0.7 0.7 volume=0.410 peak=2287 ppm1=8.062 ppm2=7.505
assign ( resid 209 and name H
)
( resid 206 and name H
or resid 212 and name H
) 3.5 0.7 0.7 volume=0.544 peak=2288 ppm1=8.068 ppm2=7.864
assign ( resid 209 and name H
)
( resid 210 and name H
) 3.6 0.7 0.7 volume=0.469 peak=2289 ppm1=8.070 ppm2=9.177
assign ( resid 209 and name H
)
( resid 206 and name HA
) 3.8 0.8 0.8 volume=0.360 peak=2290 ppm1=8.071 ppm2=4.265
assign ( resid 209 and name H
)
( resid 207 and name HA2
or resid 210 and name HB3
) 3.2 0.6 0.6 volume=1.042 peak=2291 ppm1=8.067 ppm2=3.560
assign ( resid 209 and name H
)
( resid 208 and name HB3
) 3.8 0.8 0.8 volume=0.336 peak=2292 ppm1=8.073 ppm2=3.018
assign ( resid 209 and name H
)
( resid 208 and name HB2
) 3.7 0.7 0.7 volume=0.452 peak=2293 ppm1=8.069 ppm2=3.264
assign ( resid 209 and name H
)
( resid 206 and name HG2#
) 4.5 0.9 0.9 volume=0.385 peak=2294 ppm1=8.065 ppm2=1.443
assign ( resid 209 and name H
)
( resid 166 and name HD1#
) 4.7 0.9 0.9 volume=0.304 peak=2295 ppm1=8.065 ppm2=1.186
assign ( resid 209 and name H
)
( resid 206 and name HG1#
) 4.2 0.8 0.8 volume=0.558 peak=2296 ppm1=8.071 ppm2=1.050
assign ( resid 209 and name H
)
( resid 40 and name HD2#
) 4.6 0.9 0.9 volume=0.341 peak=2297 ppm1=8.071 ppm2=0.523
assign ( resid 209 and name H
)
( resid 40 and name HD1#
) 4.5 0.9 0.9 volume=0.410 peak=2298 ppm1=8.068 ppm2=0.406
assign ( resid 210 and name H
)
( resid 210 and name HD#
) 4.0 0.8 0.8 volume=0.499 peak=2299 ppm1=9.174 ppm2=7.565
assign ( resid 210 and name H
)
( resid 209 and name H
) 3.7 0.7 0.7 volume=0.406 peak=2300 ppm1=9.171 ppm2=8.078
assign ( resid 210 and name H
)
( resid 212 and name H
) 3.6 0.7 0.7 volume=0.504 peak=2301 ppm1=9.167 ppm2=7.860
assign ( resid 210 and name H
)
( resid 211 and name H
) 3.5 0.7 0.7 volume=0.629 peak=2302 ppm1=9.170 ppm2=8.485
assign ( resid 210 and name H
)
( resid 40 and name HD2#
) 5.1 1.0 1.0 volume=0.184 peak=2303 ppm1=9.171 ppm2=0.522
assign ( resid 210 and name H
)
( resid 40 and name HD1#
) 5.2 1.0 1.0 volume=0.167 peak=2304 ppm1=9.179 ppm2=0.413
assign ( resid 210 and name H
)
( resid 206 and name HG1#
or resid 213 and name HD1#
or resid 213 and name HD2#
) 4.2 0.8 0.8 volume=0.578 peak=2305 ppm1=9.172 ppm2=1.053
assign ( resid 210 and name H
)
( resid 206 and name HG2#
) 4.4 0.9 0.9 volume=0.430 peak=2306 ppm1=9.170 ppm2=1.441
assign ( resid 210 and name H
)
( resid 211 and name HG12
) 4.3 0.9 0.9 volume=0.163 peak=2307 ppm1=9.170 ppm2=1.259
assign ( resid 210 and name H
)
( resid 211 and name HB
) 3.7 0.7 0.7 volume=0.395 peak=2308 ppm1=9.171 ppm2=2.098
assign ( resid 210 and name H
)
( resid 211 and name HG13
) 4.4 0.9 0.9 volume=0.141 peak=2309 ppm1=9.171 ppm2=1.978
assign ( resid 210 and name H
)
( resid 207 and name HA3
or resid 208 and name HA
) 3.5 0.7 0.7 volume=0.595 peak=2310 ppm1=9.170 ppm2=3.863
assign ( resid 210 and name H
)
( resid 207 and name HA2
or resid 210 and name HB3
) 2.9 0.6 0.6 volume=1.871 peak=2311 ppm1=9.171 ppm2=3.551
assign ( resid 210 and name H
)
( resid 210 and name HB2
) 3.0 0.6 0.6 volume=1.345 peak=2312 ppm1=9.170 ppm2=3.429
assign ( resid 210 and name H
)
( resid 206 and name HA
) 3.9 0.8 0.8 volume=0.288 peak=2313 ppm1=9.168 ppm2=4.263
assign ( resid 210 and name H
)
( resid 210 and name HA
) 3.2 0.6 0.6 volume=1.083 peak=2314 ppm1=9.171 ppm2=4.622
assign ( resid 211 and name H
)
( resid 210 and name HD#
) 4.5 0.9 0.9 volume=0.257 peak=2315 ppm1=8.476 ppm2=7.568
assign ( resid 211 and name H
)
( resid 207 and name HA3
or resid 208 and name HA
or resid 211 and name HA
) 3.2 0.6 0.6 volume=1.083 peak=2316 ppm1=8.480 ppm2=3.850
assign ( resid 211 and name H
)
( resid 210 and name HB2
) 3.6 0.7 0.7 volume=0.466 peak=2317 ppm1=8.483 ppm2=3.422
assign ( resid 211 and name H
)
( resid 207 and name HA2
or resid 210 and name HB3
) 3.6 0.7 0.7 volume=0.488 peak=2318 ppm1=8.486 ppm2=3.551
assign ( resid 211 and name H
)
( resid 163 and name HD1#
) 4.5 0.9 0.9 volume=0.402 peak=2319 ppm1=8.487 ppm2=0.284
assign ( resid 211 and name H
)
( resid 211 and name HG2#
or resid 211 and name HD1#
) 3.6 0.7 0.7 volume=1.437 peak=2320 ppm1=8.483 ppm2=0.898
assign ( resid 211 and name H
)
( resid 166 and name HD2#
) 4.4 0.9 0.9 volume=0.438 peak=2321 ppm1=8.474 ppm2=1.066
assign ( resid 225 and name H
)
( resid 225 and name HB3
) 3.2 0.6 0.6 volume=1.044 peak=2322 ppm1=8.450 ppm2=2.258
assign ( resid 225 and name H
)
( resid 225 and name HB2
) 2.8 0.6 0.6 volume=2.105 peak=2323 ppm1=8.450 ppm2=2.127
assign ( resid 225 and name H
)
( resid 225 and name HG2
or resid 225 and name HG3
) 3.3 0.7 0.7 volume=0.773 peak=2324 ppm1=8.450 ppm2=2.463
assign ( resid 211 and name H
)
( resid 210 and name HA
) 4.1 0.8 0.8 volume=0.235 peak=2325 ppm1=8.494 ppm2=4.606
assign ( resid 211 and name H
)
( resid 212 and name H
) 3.4 0.7 0.7 volume=0.672 peak=2326 ppm1=8.485 ppm2=7.838
assign ( resid 211 and name H
)
( resid 210 and name H
) 3.6 0.7 0.7 volume=0.535 peak=2327 ppm1=8.484 ppm2=9.177
assign ( resid 211 and name H
)
( resid 213 and name H
) 4.1 0.8 0.8 volume=0.237 peak=2328 ppm1=8.482 ppm2=8.653
assign ( resid 212 and name H
)
( resid 213 and name H
) 3.5 0.7 0.7 volume=0.571 peak=2329 ppm1=7.827 ppm2=8.637
assign ( resid 212 and name H
)
( resid 211 and name H
) 3.4 0.7 0.7 volume=0.673 peak=2330 ppm1=7.827 ppm2=8.482
assign ( resid 212 and name H
)
( resid 163 and name HD2#
) 4.4 0.9 0.9 volume=0.428 peak=2331 ppm1=7.830 ppm2=0.526
assign ( resid 212 and name H
)
( resid 163 and name HD1#
) 4.2 0.8 0.8 volume=0.582 peak=2332 ppm1=7.828 ppm2=0.287
assign ( resid 212 and name H
)
( resid 211 and name HG2#
) 3.8 0.8 0.8 volume=1.048 peak=2333 ppm1=7.830 ppm2=0.871
assign ( resid 212 and name H
)
( resid 211 and name HG12
) 3.9 0.8 0.8 volume=0.285 peak=2334 ppm1=7.826 ppm2=1.242
assign ( resid 212 and name H
)
( resid 212 and name HB#
) 3.4 0.7 0.7 volume=2.169 peak=2335 ppm1=7.828 ppm2=1.467
assign ( resid 212 and name H
)
( resid 208 and name HA
or resid 211 and name HA
) 3.5 0.7 0.7 volume=0.554 peak=2336 ppm1=7.828 ppm2=3.843
assign ( resid 212 and name H
)
( resid 210 and name HA
) 4.0 0.8 0.8 volume=0.253 peak=2337 ppm1=7.829 ppm2=4.622
assign ( resid 212 and name H
)
( resid 208 and name HD#
) 4.7 0.9 0.9 volume=0.201 peak=2338 ppm1=7.828 ppm2=7.002
assign ( resid 212 and name H
)
( resid 210 and name H
) 4.2 0.8 0.8 volume=0.199 peak=2339 ppm1=7.831 ppm2=9.173
assign ( resid 213 and name H
)
( resid 212 and name HB#
) 3.9 0.8 0.8 volume=0.969 peak=2340 ppm1=8.629 ppm2=1.464
assign ( resid 213 and name H
)
( resid 40 and name HD2#
) 4.9 1.0 1.0 volume=0.241 peak=2341 ppm1=8.626 ppm2=0.529
assign ( resid 213 and name H
)
( resid 214 and name HB3
or resid 214 and name HB2
) 3.8 0.8 0.8 volume=0.363 peak=2342 ppm1=8.631 ppm2=2.840
assign ( resid 213 and name H
)
( resid 210 and name HB2
) 4.4 0.9 0.9 volume=0.142 peak=2343 ppm1=8.633 ppm2=3.415
assign ( resid 213 and name H
)
( resid 210 and name HB3
) 4.1 0.8 0.8 volume=0.218 peak=2344 ppm1=8.621 ppm2=3.556
assign ( resid 213 and name H
)
( resid 212 and name HA
or resid 213 and name HA
) 3.2 0.6 0.6 volume=1.083 peak=2345 ppm1=8.628 ppm2=4.147
assign ( resid 213 and name H
)
( resid 210 and name HA
) 3.5 0.7 0.7 volume=0.611 peak=2346 ppm1=8.630 ppm2=4.611
assign ( resid 213 and name H
)
( resid 22 and name HE#
) 5.1 1.0 1.0 volume=0.121 peak=2347 ppm1=8.640 ppm2=7.134
assign ( resid 213 and name H
)
( resid 215 and name H
) 4.1 0.8 0.8 volume=0.211 peak=2348 ppm1=8.623 ppm2=7.937
assign ( resid 213 and name H
)
( resid 214 and name H
) 3.5 0.7 0.7 volume=0.564 peak=2349 ppm1=8.628 ppm2=8.414
assign ( resid 213 and name H
)
( resid 210 and name H
) 4.5 0.9 0.9 volume=0.133 peak=2350 ppm1=8.631 ppm2=9.191
assign ( resid 213 and name H
)
( resid 163 and name HD1#
) 5.6 1.1 1.1 volume=0.101 peak=2351 ppm1=8.621 ppm2=0.280
assign ( resid 214 and name H
)
( resid 210 and name HA
or resid 214 and name HA
) 3.2 0.6 0.6 volume=1.083 peak=2352 ppm1=8.407 ppm2=4.583
assign ( resid 214 and name H
)
( resid 215 and name H
) 3.6 0.7 0.7 volume=0.531 peak=2353 ppm1=8.408 ppm2=7.946
assign ( resid 214 and name H
)
( resid 213 and name H
) 3.8 0.8 0.8 volume=0.374 peak=2354 ppm1=8.409 ppm2=8.640
assign ( resid 216 and name H
)
( resid 215 and name H
or resid 218 and name H
) 3.3 0.7 0.7 volume=0.838 peak=2355 ppm1=8.257 ppm2=7.949
assign ( resid 216 and name H
)
( resid 214 and name H
) 4.0 0.8 0.8 volume=0.256 peak=2356 ppm1=8.267 ppm2=8.415
assign ( resid 216 and name H
)
( resid 215 and name HA
) 3.5 0.7 0.7 volume=0.610 peak=2357 ppm1=8.256 ppm2=4.428
assign ( resid 216 and name H
)
( resid 213 and name HA
or resid 216 and name HA
) 3.2 0.6 0.6 volume=1.083 peak=2358 ppm1=8.257 ppm2=4.087
assign ( resid 216 and name H
)
( resid 214 and name HA
) 4.2 0.8 0.8 volume=0.185 peak=2359 ppm1=8.261 ppm2=4.580
assign ( resid 216 and name H
)
( resid 215 and name HB#
or resid 216 and name HB#
) 3.2 0.6 0.6 volume=3.187 peak=2360 ppm1=8.257 ppm2=1.693
assign ( resid 216 and name H
)
( resid 213 and name HB2
) 4.1 0.8 0.8 volume=0.211 peak=2361 ppm1=8.254 ppm2=1.846
assign ( resid 216 and name H
)
( resid 212 and name HB#
) 4.4 0.9 0.9 volume=0.459 peak=2362 ppm1=8.257 ppm2=1.436
assign ( resid 217 and name H
)
( resid 219 and name HD1#
or resid 219 and name HD2#
) 5.7 1.1 1.1 volume=0.093 peak=2363 ppm1=8.252 ppm2=0.853
assign ( resid 217 and name H
)
( resid 217 and name HA
) 3.2 0.6 0.6 volume=1.083 peak=2364 ppm1=8.246 ppm2=4.302
assign ( resid 217 and name H
)
( resid 214 and name HA
) 4.1 0.8 0.8 volume=0.214 peak=2365 ppm1=8.250 ppm2=4.582
assign ( resid 217 and name H
)
( resid 216 and name HB#
or resid 217 and name HB#
) 3.3 0.7 0.7 volume=2.507 peak=2366 ppm1=8.247 ppm2=1.724
assign ( resid 218 and name H
)
( resid 219 and name HD1#
or resid 219 and name HD2#
) 5.1 1.0 1.0 volume=0.187 peak=2367 ppm1=7.960 ppm2=0.849
assign ( resid 218 and name H
)
( resid 216 and name H
or resid 217 and name H
) 3.6 0.7 0.7 volume=0.529 peak=2368 ppm1=7.961 ppm2=8.256
assign ( resid 219 and name H
)
( resid 219 and name HB2
) 3.4 0.7 0.7 volume=0.713 peak=2369 ppm1=8.049 ppm2=1.951
assign ( resid 219 and name H
)
( resid 219 and name HG
) 3.3 0.7 0.7 volume=0.820 peak=2370 ppm1=8.048 ppm2=1.872
assign ( resid 219 and name H
)
( resid 215 and name HB#
or resid 216 and name HB#
or resid 219 and name HB3
) 3.7 0.7 0.7 volume=0.761 peak=2371 ppm1=8.048 ppm2=1.653
assign ( resid 219 and name H
)
( resid 219 and name HD1#
or resid 219 and name HD2#
) 3.9 0.8 0.8 volume=0.927 peak=2372 ppm1=8.048 ppm2=0.852
assign ( resid 219 and name H
)
( resid 159 and name HD1#
) 5.5 1.1 1.1 volume=0.114 peak=2373 ppm1=8.047 ppm2=1.003
assign ( resid 219 and name H
)
( resid 218 and name HG2#
) 4.5 0.9 0.9 volume=0.408 peak=2374 ppm1=8.048 ppm2=1.392
assign ( resid 219 and name H
)
( resid 221 and name H
) 4.8 1.0 1.0 volume=0.086 peak=2375 ppm1=8.054 ppm2=7.843
assign ( resid 219 and name H
)
( resid 216 and name H
or resid 217 and name H
) 4.4 0.9 0.9 volume=0.147 peak=2376 ppm1=8.045 ppm2=8.264
assign ( resid 220 and name H
)
( resid 217 and name HA
or resid 218 and name HA
or resid 219 and name HA
or resid 220 and name HA
) 3.2 0.6 0.6 volume=1.083 peak=2377 ppm1=7.997 ppm2=4.301
assign ( resid 220 and name H
)
( resid 216 and name HA
) 4.8 1.0 1.0 volume=0.086 peak=2378 ppm1=7.996 ppm2=4.065
assign ( resid 220 and name H
)
( resid 220 and name HD2
or resid 220 and name HD3
) 4.3 0.9 0.9 volume=0.168 peak=2379 ppm1=7.997 ppm2=3.410
assign ( resid 237 and name H
)
( resid 237 and name HB
) 2.8 0.6 0.6 volume=2.241 peak=2380 ppm1=7.987 ppm2=2.236
assign ( resid 220 and name H
)
( resid 219 and name HB2
) 3.6 0.7 0.7 volume=0.487 peak=2381 ppm1=7.997 ppm2=1.945
assign ( resid 220 and name H
)
( resid 219 and name HG
) 3.8 0.8 0.8 volume=0.358 peak=2382 ppm1=7.997 ppm2=1.856
assign ( resid 220 and name H
)
( resid 216 and name HB#
or resid 219 and name HB3
or resid 221 and name HB#
) 4.1 0.8 0.8 volume=0.385 peak=2383 ppm1=7.997 ppm2=1.652
assign ( resid 237 and name H
)
( resid 237 and name HG1#
or resid 237 and name HG2#
) 3.3 0.7 0.7 volume=2.691 peak=2384 ppm1=7.987 ppm2=1.092
assign ( resid 220 and name H
)
( resid 219 and name HD1#
or resid 219 and name HD2#
) 4.8 1.0 1.0 volume=0.261 peak=2385 ppm1=7.996 ppm2=0.852
assign ( resid 237 and name H
)
( resid 236 and name HA
or resid 238 and name HA
) 2.3 0.5 0.5 volume=7.369 peak=2386 ppm1=7.987 ppm2=4.476
assign ( resid 221 and name H
)
( resid 219 and name H
or resid 220 and name H
) 3.4 0.7 0.7 volume=0.693 peak=2387 ppm1=7.856 ppm2=8.004
assign ( resid 221 and name H
)
( resid 222 and name H
) 3.4 0.7 0.7 volume=0.642 peak=2388 ppm1=7.857 ppm2=8.116
assign ( resid 221 and name H
)
( resid 221 and name HA
) 3.2 0.6 0.6 volume=1.083 peak=2389 ppm1=7.857 ppm2=4.457
assign ( resid 221 and name H
)
( resid 217 and name HA
or resid 218 and name HA
or resid 219 and name HA
or resid 220 and name HA
) 3.3 0.7 0.7 volume=0.854 peak=2390 ppm1=7.857 ppm2=4.297
assign ( resid 221 and name H
)
( resid 221 and name HB#
) 3.4 0.7 0.7 volume=1.958 peak=2391 ppm1=7.857 ppm2=1.649
assign ( resid 222 and name H
)
( resid 223 and name H
) 4.1 0.8 0.8 volume=0.233 peak=2392 ppm1=8.116 ppm2=8.292
assign ( resid 222 and name H
)
( resid 221 and name H
) 3.3 0.7 0.7 volume=0.797 peak=2393 ppm1=8.114 ppm2=7.863
assign ( resid 222 and name H
)
( resid 221 and name HA
or resid 222 and name HA
) 3.2 0.6 0.6 volume=1.083 peak=2394 ppm1=8.114 ppm2=4.401
assign ( resid 222 and name H
)
( resid 219 and name HA
or resid 220 and name HA
) 3.8 0.8 0.8 volume=0.373 peak=2395 ppm1=8.113 ppm2=4.274
assign ( resid 223 and name H
)
( resid 222 and name H
) 3.4 0.7 0.7 volume=0.650 peak=2396 ppm1=8.294 ppm2=8.117
assign ( resid 223 and name H
)
( resid 220 and name H
) 4.4 0.9 0.9 volume=0.141 peak=2397 ppm1=8.289 ppm2=7.997
assign ( resid 224 and name H
)
( resid 223 and name HA
) 3.9 0.8 0.8 volume=0.317 peak=2398 ppm1=8.373 ppm2=4.914
assign ( resid 224 and name H
)
( resid 224 and name HA2
or resid 224 and name HA3
) 3.2 0.6 0.6 volume=1.083 peak=2399 ppm1=8.374 ppm2=4.172
assign ( resid 224 and name H
)
( resid 223 and name HB3
) 4.9 1.0 1.0 volume=0.075 peak=2400 ppm1=8.376 ppm2=3.548
assign ( resid 224 and name H
)
( resid 223 and name HB2
) 4.8 1.0 1.0 volume=0.084 peak=2401 ppm1=8.376 ppm2=3.374
assign ( resid 224 and name H
)
( resid 225 and name HB2
) 5.4 1.1 1.1 volume=0.045 peak=2402 ppm1=8.373 ppm2=2.154
assign ( resid 94 and name H
)
( resid 93 and name HD1#
or resid 93 and name HD2#
or resid 93 and name HB3
) 3.2 0.6 0.6 volume=1.760 peak=2403 ppm1=8.449 ppm2=0.798
assign ( resid 94 and name H
)
( resid 93 and name HG
) 3.7 0.7 0.7 volume=0.407 peak=2404 ppm1=8.445 ppm2=1.816
assign ( resid 94 and name H
or resid 225 and name H
)
( resid 93 and name HA
or resid 224 and name HA2
or resid 224 and name HA3
) 2.7 0.5 0.5 volume=2.937 peak=2405 ppm1=8.449 ppm2=4.173
assign ( resid 225 and name H
)
( resid 225 and name HA
) 3.2 0.6 0.6 volume=1.083 peak=2406 ppm1=8.450 ppm2=4.534
assign ( resid 94 and name H
)
( resid 94 and name HA
) 3.2 0.6 0.6 volume=1.083 peak=2407 ppm1=8.447 ppm2=4.932
assign ( resid 94 and name H
)
( resid 93 and name H
) 4.0 0.8 0.8 volume=0.257 peak=2408 ppm1=8.439 ppm2=7.433
assign ( resid 226 and name H
)
( resid 225 and name HA
) 2.2 0.4 0.4 volume=8.926 peak=2409 ppm1=8.391 ppm2=4.532
assign ( resid 226 and name H
)
( resid 226 and name HB3
or resid 226 and name HB2
) 2.4 0.5 0.5 volume=5.585 peak=2410 ppm1=8.391 ppm2=4.056
assign ( resid 226 and name H
)
( resid 225 and name HG2
or resid 225 and name HG3
) 3.2 0.6 0.6 volume=1.057 peak=2411 ppm1=8.392 ppm2=2.460
assign ( resid 226 and name H
)
( resid 225 and name HB3
) 2.8 0.6 0.6 volume=2.071 peak=2412 ppm1=8.391 ppm2=2.260
assign ( resid 226 and name H
)
( resid 225 and name HB2
) 3.0 0.6 0.6 volume=1.437 peak=2413 ppm1=8.390 ppm2=2.125
assign ( resid 227 and name H
)
( resid 227 and name HD2#
or resid 227 and name HD1#
) 3.7 0.7 0.7 volume=1.181 peak=2414 ppm1=8.349 ppm2=1.011
assign ( resid 227 and name H
)
( resid 227 and name HB3
or resid 227 and name HB2
) 2.1 0.4 0.4 volume=12.310 peak=2415 ppm1=8.352 ppm2=1.780
assign ( resid 227 and name H
)
( resid 226 and name HB3
or resid 226 and name HB2
) 2.5 0.5 0.5 volume=4.847 peak=2416 ppm1=8.352 ppm2=4.058
assign ( resid 228 and name H
)
( resid 227 and name HA
or resid 228 and name HA
) 2.1 0.4 0.4 volume=12.207 peak=2417 ppm1=8.220 ppm2=4.506
assign ( resid 228 and name H
)
( resid 227 and name HB3
or resid 227 and name HB2
) 2.6 0.5 0.5 volume=3.748 peak=2418 ppm1=8.220 ppm2=1.769
assign ( resid 228 and name H
)
( resid 228 and name HB#
) 2.5 0.5 0.5 volume=12.625 peak=2419 ppm1=8.220 ppm2=1.559
assign ( resid 229 and name H
)
( resid 228 and name HA
) 3.5 0.7 0.7 volume=0.577 peak=2420 ppm1=8.335 ppm2=4.501
assign ( resid 229 and name H
)
( resid 229 and name HA2
or resid 229 and name HA3
) 3.2 0.6 0.6 volume=1.083 peak=2421 ppm1=8.335 ppm2=4.138
assign ( resid 229 and name H
)
( resid 228 and name HB#
) 5.0 1.0 1.0 volume=0.196 peak=2422 ppm1=8.334 ppm2=1.560
assign ( resid 229 and name H
)
( resid 230 and name H
) 4.6 0.9 0.9 volume=0.111 peak=2423 ppm1=8.333 ppm2=7.929
assign ( resid 9 and name HE1
)
( resid 9 and name H
) 3.7 0.7 0.7 volume=0.405 peak=2424 ppm1=10.316 ppm2=8.790
assign ( resid 9 and name HE1
)
( resid 6 and name H
) 3.8 0.8 0.8 volume=0.351 peak=2425 ppm1=10.318 ppm2=7.721
assign ( resid 9 and name HE1
)
( resid 9 and name HZ2
) 2.5 0.5 0.5 volume=4.498 peak=2426 ppm1=10.319 ppm2=7.481
assign ( resid 9 and name HE1
)
( resid 9 and name HD1
) 2.2 0.4 0.4 volume=8.765 peak=2427 ppm1=10.320 ppm2=7.333
assign ( resid 9 and name HE1
)
( resid 9 and name HH2
) 3.0 0.6 0.6 volume=1.498 peak=2428 ppm1=10.319 ppm2=7.099
assign ( resid 9 and name HE1
)
( resid 5 and name HB
) 3.1 0.6 0.6 volume=1.122 peak=2429 ppm1=10.318 ppm2=4.849
assign ( resid 9 and name HE1
)
( resid 5 and name HA
or resid 6 and name HA
) 3.1 0.6 0.6 volume=1.122 peak=2430 ppm1=10.319 ppm2=4.302
assign ( resid 9 and name HE1
)
( resid 9 and name HB3
) 3.3 0.7 0.7 volume=0.876 peak=2431 ppm1=10.320 ppm2=3.682
assign ( resid 9 and name HE1
)
( resid 9 and name HB2
) 3.5 0.7 0.7 volume=0.538 peak=2432 ppm1=10.318 ppm2=3.381
assign ( resid 9 and name HE1
)
( resid 5 and name HG2#
) 3.4 0.7 0.7 volume=2.077 peak=2433 ppm1=10.320 ppm2=1.920
assign ( resid 9 and name HE1
)
( resid 6 and name HG2#
) 4.1 0.8 0.8 volume=0.702 peak=2434 ppm1=10.319 ppm2=1.433
assign ( resid 9 and name HE1
)
( resid 55 and name HB#
) 3.4 0.7 0.7 volume=2.115 peak=2435 ppm1=10.319 ppm2=0.206
assign ( resid 76 and name HE1
)
( resid 76 and name HD1
) 3.1 0.6 0.6 volume=1.191 peak=2436 ppm1=9.802 ppm2=7.066
assign ( resid 76 and name HE1
)
( resid 76 and name HZ2
) 3.5 0.7 0.7 volume=0.636 peak=2437 ppm1=9.802 ppm2=7.779
assign ( resid 76 and name HE1
)
( resid 76 and name HH2
) 3.7 0.7 0.7 volume=0.399 peak=2438 ppm1=9.804 ppm2=7.429
assign ( resid 76 and name HE1
)
( resid 197 and name HD1#
) 4.2 0.8 0.8 volume=0.549 peak=2439 ppm1=9.805 ppm2=1.107
assign ( resid 76 and name HE1
)
( resid 72 and name HG3
or resid 72 and name HG2
) 4.0 0.8 0.8 volume=0.245 peak=2440 ppm1=9.805 ppm2=1.795
assign ( resid 76 and name HE1
)
( resid 75 and name HB3
or resid 201 and name HB3
) 4.2 0.8 0.8 volume=0.186 peak=2441 ppm1=9.792 ppm2=3.220
assign ( resid 76 and name HE1
)
( resid 76 and name HA
) 3.9 0.8 0.8 volume=0.301 peak=2442 ppm1=9.802 ppm2=4.421
assign ( resid 171 and name HE1
)
( resid 167 and name HG2#
) 3.9 0.8 0.8 volume=0.868 peak=2443 ppm1=10.208 ppm2=-0.146
assign ( resid 171 and name HE1
)
( resid 204 and name HA
) 3.9 0.8 0.8 volume=0.284 peak=2444 ppm1=10.197 ppm2=4.160
assign ( resid 171 and name HE1
)
( resid 167 and name HA
) 3.9 0.8 0.8 volume=0.295 peak=2445 ppm1=10.206 ppm2=3.800
assign ( resid 171 and name HE1
)
( resid 204 and name HG2#
) 4.0 0.8 0.8 volume=0.732 peak=2446 ppm1=10.204 ppm2=1.827
assign ( resid 171 and name HE1
)
( resid 170 and name HD2#
) 3.8 0.8 0.8 volume=1.019 peak=2447 ppm1=10.205 ppm2=1.206
assign ( resid 171 and name HE1
)
( resid 83 and name HG2#
) 4.3 0.9 0.9 volume=0.504 peak=2448 ppm1=10.205 ppm2=0.867
assign ( resid 171 and name HE1
)
( resid 171 and name HD1
) 3.2 0.6 0.6 volume=0.985 peak=2449 ppm1=10.205 ppm2=7.532
assign ( resid 171 and name HE1
)
( resid 171 and name HZ2
) 3.8 0.8 0.8 volume=0.359 peak=2450 ppm1=10.216 ppm2=7.332
assign ( resid 171 and name HE1
)
( resid 204 and name HB
) 3.5 0.7 0.7 volume=0.600 peak=2451 ppm1=10.204 ppm2=4.680
assign ( resid 2 and name H
)
( resid 3 and name H
) 3.6 0.7 0.7 volume=0.482 peak=2452 ppm1=8.086 ppm2=8.620
assign ( resid 2 and name H
)
( resid 5 and name H
) 4.4 0.9 0.9 volume=0.151 peak=2453 ppm1=8.085 ppm2=8.417
assign ( resid 2 and name H
)
( resid 2 and name HA
or resid 3 and name HA3
) 3.2 0.6 0.6 volume=1.083 peak=2454 ppm1=8.085 ppm2=4.345
assign ( resid 22 and name H
)
( resid 22 and name HA
) 3.2 0.6 0.6 volume=1.083 peak=2455 ppm1=8.739 ppm2=4.883
assign ( resid 22 and name H
)
( resid 21 and name HA
) 3.0 0.6 0.6 volume=1.347 peak=2456 ppm1=8.742 ppm2=4.253
assign ( resid 22 and name H
)
( resid 20 and name HA
) 3.4 0.7 0.7 volume=0.749 peak=2457 ppm1=8.739 ppm2=4.126
assign ( resid 22 and name H
)
( resid 18 and name HA2
or resid 18 and name HA3
or resid 22 and name HB3
) 3.1 0.6 0.6 volume=1.164 peak=2458 ppm1=8.739 ppm2=3.542
assign ( resid 22 and name H
)
( resid 22 and name HB2
) 3.2 0.6 0.6 volume=0.972 peak=2459 ppm1=8.741 ppm2=3.360
assign ( resid 22 and name H
)
( resid 20 and name HB3
) 3.5 0.7 0.7 volume=0.557 peak=2460 ppm1=8.741 ppm2=2.083
assign ( resid 22 and name H
)
( resid 23 and name HB#
) 3.8 0.8 0.8 volume=1.006 peak=2461 ppm1=8.740 ppm2=1.713
assign ( resid 22 and name H
)
( resid 20 and name HB2
or resid 21 and name HB#
) 2.8 0.6 0.6 volume=3.130 peak=2462 ppm1=8.740 ppm2=1.527
assign ( resid 22 and name H
)
( resid 41 and name HG1#
or resid 213 and name HD1#
or resid 213 and name HD2#
) 3.9 0.8 0.8 volume=0.849 peak=2463 ppm1=8.743 ppm2=1.126
assign ( resid 38 and name H
)
( resid 41 and name HG2#
) 4.0 0.8 0.8 volume=0.757 peak=2464 ppm1=8.790 ppm2=1.455
assign ( resid 38 and name H
)
( resid 38 and name HG2#
) 3.2 0.6 0.6 volume=2.807 peak=2465 ppm1=8.793 ppm2=1.298
assign ( resid 38 and name H
)
( resid 38 and name HG1#
or resid 41 and name HG1#
) 3.6 0.7 0.7 volume=1.595 peak=2466 ppm1=8.792 ppm2=1.184
assign ( resid 161 and name H
)
( resid 161 and name HG2#
) 3.3 0.7 0.7 volume=2.695 peak=2467 ppm1=8.633 ppm2=1.089
assign ( resid 200 and name H
)
( resid 200 and name HD2#
) 3.9 0.8 0.8 volume=0.919 peak=2468 ppm1=8.570 ppm2=0.830
assign ( resid 200 and name H
)
( resid 197 and name HD1#
) 4.2 0.8 0.8 volume=0.547 peak=2469 ppm1=8.572 ppm2=1.085
assign ( resid 15 and name H
)
( resid 202 and name HD1#
) 4.4 0.9 0.9 volume=0.435 peak=2470 ppm1=8.502 ppm2=0.907
assign ( resid 85 and name H
)
( resid 84 and name HG2#
or resid 102 and name HD1#
) 3.4 0.7 0.7 volume=1.994 peak=2471 ppm1=9.149 ppm2=1.044
assign ( resid 2 and name H
)
( resid 2 and name HB
) 2.9 0.6 0.6 volume=1.825 peak=2472 ppm1=8.085 ppm2=2.292
assign ( resid 3 and name H
)
( resid 1 and name HE#
or resid 2 and name HB
) 3.8 0.8 0.8 volume=0.566 peak=2473 ppm1=8.621 ppm2=2.293
assign ( resid 4 and name H
)
( resid 4 and name HG
) 2.9 0.6 0.6 volume=1.958 peak=2474 ppm1=8.145 ppm2=1.779
assign ( resid 5 and name H
)
( resid 4 and name HG
) 3.7 0.7 0.7 volume=0.420 peak=2475 ppm1=8.458 ppm2=1.791
assign ( resid 5 and name H
)
( resid 5 and name HG2#
) 3.4 0.7 0.7 volume=2.175 peak=2476 ppm1=8.458 ppm2=1.920
assign ( resid 5 and name H
)
( resid 4 and name HB2
) 3.3 0.7 0.7 volume=0.856 peak=2477 ppm1=8.457 ppm2=2.055
assign ( resid 5 and name H
)
( resid 4 and name HB3
or resid 6 and name HG2#
) 3.6 0.7 0.7 volume=0.733 peak=2478 ppm1=8.457 ppm2=1.394
assign ( resid 5 and name H
)
( resid 4 and name HD2#
) 4.0 0.8 0.8 volume=0.754 peak=2479 ppm1=8.460 ppm2=0.912
assign ( resid 5 and name H
)
( resid 4 and name HD1#
) 4.6 0.9 0.9 volume=0.362 peak=2480 ppm1=8.465 ppm2=0.687
assign ( resid 6 and name H
)
( resid 5 and name HG2#
or resid 7 and name HB2
) 3.7 0.7 0.7 volume=0.648 peak=2481 ppm1=7.675 ppm2=1.914
assign ( resid 6 and name H
)
( resid 6 and name HG2#
) 3.7 0.7 0.7 volume=1.240 peak=2482 ppm1=7.678 ppm2=1.429
assign ( resid 6 and name H
)
( resid 2 and name HG1#
or resid 2 and name HG2#
) 4.7 0.9 0.9 volume=0.292 peak=2483 ppm1=7.679 ppm2=1.161
assign ( resid 6 and name H
)
( resid 7 and name HD2#
) 4.5 0.9 0.9 volume=0.398 peak=2484 ppm1=7.680 ppm2=0.911
assign ( resid 3 and name H
)
( resid 2 and name HG1#
or resid 2 and name HG2#
) 4.0 0.8 0.8 volume=0.774 peak=2485 ppm1=8.620 ppm2=1.162
assign ( resid 3 and name H
)
( resid 6 and name HG2#
) 4.8 1.0 1.0 volume=0.257 peak=2486 ppm1=8.619 ppm2=1.429
assign ( resid 2 and name H
)
( resid 2 and name HG1#
or resid 2 and name HG2#
) 3.5 0.7 0.7 volume=1.749 peak=2487 ppm1=8.085 ppm2=1.178
assign ( resid 2 and name H
)
( resid 4 and name HD2#
) 5.8 1.2 1.2 volume=0.084 peak=2488 ppm1=8.082 ppm2=0.911
assign ( resid 4 and name H
)
( resid 4 and name HD2#
or resid 7 and name HD2#
) 3.5 0.7 0.7 volume=1.899 peak=2489 ppm1=8.150 ppm2=0.922
assign ( resid 3 and name H
)
( resid 2 and name H
or resid 4 and name H
) 3.6 0.7 0.7 volume=0.535 peak=2490 ppm1=8.619 ppm2=8.118
assign ( resid 3 and name H
)
( resid 6 and name H
) 4.5 0.9 0.9 volume=0.122 peak=2491 ppm1=8.612 ppm2=7.661
assign ( resid 3 and name H
)
( resid 2 and name HA
or resid 3 and name HA3
) 2.8 0.6 0.6 volume=2.287 peak=2492 ppm1=8.621 ppm2=4.337
assign ( resid 3 and name H
)
( resid 3 and name HA2
) 3.2 0.6 0.6 volume=1.083 peak=2493 ppm1=8.621 ppm2=4.154
assign ( resid 3 and name H
)
( resid 4 and name HD2#
) 5.3 1.1 1.1 volume=0.140 peak=2494 ppm1=8.620 ppm2=0.920
assign ( resid 6 and name H
)
( resid 6 and name HB
) 3.1 0.6 0.6 volume=1.139 peak=2495 ppm1=7.675 ppm2=4.463
assign ( resid 4 and name H
)
( resid 3 and name H
) 3.3 0.7 0.7 volume=0.859 peak=2496 ppm1=8.146 ppm2=8.631
assign ( resid 4 and name H
)
( resid 5 and name H
) 3.1 0.6 0.6 volume=1.197 peak=2497 ppm1=8.145 ppm2=8.456
assign ( resid 4 and name H
)
( resid 7 and name H
or resid 60 and name HH2
) 3.7 0.7 0.7 volume=0.423 peak=2498 ppm1=8.134 ppm2=7.529
assign ( resid 4 and name H
)
( resid 3 and name HA3
) 2.9 0.6 0.6 volume=1.969 peak=2499 ppm1=8.146 ppm2=4.273
assign ( resid 4 and name H
)
( resid 3 and name HA2
) 2.9 0.6 0.6 volume=1.837 peak=2500 ppm1=8.147 ppm2=4.168
assign ( resid 4 and name H
)
( resid 4 and name HA
) 3.2 0.6 0.6 volume=1.083 peak=2501 ppm1=8.145 ppm2=3.835
assign ( resid 4 and name H
)
( resid 4 and name HB2
) 3.0 0.6 0.6 volume=1.500 peak=2502 ppm1=8.150 ppm2=2.066
assign ( resid 4 and name H
)
( resid 4 and name HB3
) 3.1 0.6 0.6 volume=1.213 peak=2503 ppm1=8.148 ppm2=1.400
assign ( resid 4 and name H
)
( resid 4 and name HD1#
) 3.8 0.8 0.8 volume=1.041 peak=2504 ppm1=8.148 ppm2=0.684
assign ( resid 7 and name H
)
( resid 7 and name HG
or resid 7 and name HB2
) 2.9 0.6 0.6 volume=1.953 peak=2505 ppm1=7.529 ppm2=1.888
assign ( resid 7 and name H
)
( resid 6 and name HG2#
) 3.6 0.7 0.7 volume=1.534 peak=2506 ppm1=7.532 ppm2=1.429
assign ( resid 8 and name H
)
( resid 8 and name HD#
) 3.5 0.7 0.7 volume=1.199 peak=2507 ppm1=8.191 ppm2=7.146
assign ( resid 5 and name H
)
( resid 4 and name H
) 3.4 0.7 0.7 volume=0.755 peak=2508 ppm1=8.456 ppm2=8.159
assign ( resid 5 and name H
)
( resid 6 and name H
) 3.4 0.7 0.7 volume=0.757 peak=2509 ppm1=8.453 ppm2=7.680
assign ( resid 5 and name H
)
( resid 7 and name H
or resid 60 and name HH2
) 3.5 0.7 0.7 volume=0.621 peak=2510 ppm1=8.459 ppm2=7.544
assign ( resid 5 and name H
)
( resid 8 and name HD#
) 4.5 0.9 0.9 volume=0.264 peak=2511 ppm1=8.457 ppm2=7.132
assign ( resid 5 and name H
)
( resid 5 and name HB
) 3.2 0.6 0.6 volume=0.990 peak=2512 ppm1=8.456 ppm2=4.844
assign ( resid 5 and name H
)
( resid 2 and name HA
or resid 3 and name HA3
or resid 5 and name HA
) 3.2 0.6 0.6 volume=1.083 peak=2513 ppm1=8.458 ppm2=4.342
assign ( resid 5 and name H
)
( resid 3 and name HA2
) 3.7 0.7 0.7 volume=0.425 peak=2514 ppm1=8.460 ppm2=4.134
assign ( resid 5 and name H
)
( resid 4 and name HA
) 3.6 0.7 0.7 volume=0.474 peak=2515 ppm1=8.459 ppm2=3.827
assign ( resid 5 and name H
)
( resid 2 and name HG1#
or resid 2 and name HG2#
) 4.9 1.0 1.0 volume=0.226 peak=2516 ppm1=8.455 ppm2=1.149
assign ( resid 6 and name H
)
( resid 5 and name HB
) 3.7 0.7 0.7 volume=0.449 peak=2517 ppm1=7.671 ppm2=4.837
assign ( resid 6 and name H
)
( resid 5 and name H
) 3.5 0.7 0.7 volume=0.539 peak=2518 ppm1=7.678 ppm2=8.457
assign ( resid 6 and name H
)
( resid 8 and name H
) 4.1 0.8 0.8 volume=0.236 peak=2519 ppm1=7.673 ppm2=8.248
assign ( resid 6 and name H
)
( resid 7 and name H
) 3.5 0.7 0.7 volume=0.581 peak=2520 ppm1=7.678 ppm2=7.539
assign ( resid 6 and name H
)
( resid 9 and name HD1
) 4.0 0.8 0.8 volume=0.267 peak=2521 ppm1=7.679 ppm2=7.334
assign ( resid 6 and name H
)
( resid 8 and name HD#
) 4.8 1.0 1.0 volume=0.183 peak=2522 ppm1=7.670 ppm2=7.173
assign ( resid 9 and name H
)
( resid 9 and name HD1
) 3.3 0.7 0.7 volume=0.841 peak=2523 ppm1=8.789 ppm2=7.330
assign ( resid 9 and name H
)
( resid 8 and name HD#
) 3.9 0.8 0.8 volume=0.578 peak=2524 ppm1=8.791 ppm2=7.143
assign ( resid 6 and name H
)
( resid 2 and name HA
or resid 3 and name HA3
or resid 5 and name HA
or resid 6 and name HA
) 3.2 0.6 0.6 volume=1.083 peak=2525 ppm1=7.675 ppm2=4.293
assign ( resid 6 and name H
)
( resid 3 and name HA2
) 3.8 0.8 0.8 volume=0.334 peak=2526 ppm1=7.678 ppm2=4.129
assign ( resid 6 and name H
)
( resid 4 and name HA
) 4.2 0.8 0.8 volume=0.196 peak=2527 ppm1=7.678 ppm2=3.814
assign ( resid 7 and name H
)
( resid 4 and name HD2#
or resid 7 and name HD1#
or resid 7 and name HD2#
) 3.2 0.6 0.6 volume=3.039 peak=2528 ppm1=7.528 ppm2=0.910
assign ( resid 7 and name H
)
( resid 194 and name HG1#
) 4.0 0.8 0.8 volume=0.757 peak=2529 ppm1=7.533 ppm2=0.444
assign ( resid 7 and name H
)
( resid 7 and name HB3
) 2.9 0.6 0.6 volume=1.775 peak=2530 ppm1=7.531 ppm2=1.173
assign ( resid 7 and name H
)
( resid 4 and name HA
) 3.4 0.7 0.7 volume=0.654 peak=2531 ppm1=7.531 ppm2=3.819
assign ( resid 7 and name H
)
( resid 7 and name HA
) 3.2 0.6 0.6 volume=1.083 peak=2532 ppm1=7.541 ppm2=4.097
assign ( resid 7 and name H
)
( resid 3 and name HA3
or resid 5 and name HA
or resid 6 and name HA
) 3.5 0.7 0.7 volume=0.593 peak=2533 ppm1=7.542 ppm2=4.291
assign ( resid 7 and name H
)
( resid 6 and name HB
) 3.1 0.6 0.6 volume=1.185 peak=2534 ppm1=7.533 ppm2=4.470
assign ( resid 7 and name H
)
( resid 6 and name H
) 3.4 0.7 0.7 volume=0.668 peak=2535 ppm1=7.543 ppm2=7.685
assign ( resid 7 and name H
)
( resid 8 and name H
) 3.6 0.7 0.7 volume=0.518 peak=2536 ppm1=7.542 ppm2=8.231
assign ( resid 8 and name H
)
( resid 7 and name HD1#
or resid 7 and name HD2#
or resid 198 and name HG1#
) 3.5 0.7 0.7 volume=1.617 peak=2537 ppm1=8.192 ppm2=0.904
assign ( resid 8 and name H
)
( resid 9 and name H
) 3.3 0.7 0.7 volume=0.778 peak=2538 ppm1=8.193 ppm2=8.781
assign ( resid 8 and name H
)
( resid 10 and name H
) 3.4 0.7 0.7 volume=0.744 peak=2539 ppm1=8.195 ppm2=8.395
assign ( resid 8 and name H
)
( resid 7 and name H
) 3.1 0.6 0.6 volume=1.248 peak=2540 ppm1=8.197 ppm2=7.530
assign ( resid 8 and name H
)
( resid 8 and name HE#
) 4.1 0.8 0.8 volume=0.430 peak=2541 ppm1=8.192 ppm2=6.722
assign ( resid 8 and name H
)
( resid 8 and name HA
) 3.2 0.6 0.6 volume=1.083 peak=2542 ppm1=8.185 ppm2=4.923
assign ( resid 8 and name H
)
( resid 5 and name HA
) 3.2 0.6 0.6 volume=0.940 peak=2543 ppm1=8.198 ppm2=4.340
assign ( resid 8 and name H
)
( resid 55 and name HB#
) 4.0 0.8 0.8 volume=0.801 peak=2544 ppm1=8.185 ppm2=0.205
assign ( resid 8 and name H
)
( resid 194 and name HG1#
) 4.2 0.8 0.8 volume=0.593 peak=2545 ppm1=8.210 ppm2=0.436
assign ( resid 9 and name H
)
( resid 10 and name H
) 3.2 0.6 0.6 volume=0.979 peak=2546 ppm1=8.788 ppm2=8.371
assign ( resid 9 and name H
)
( resid 8 and name H
or resid 11 and name H
) 3.5 0.7 0.7 volume=0.626 peak=2547 ppm1=8.789 ppm2=8.197
assign ( resid 9 and name H
)
( resid 6 and name H
or resid 9 and name HE3
) 3.6 0.7 0.7 volume=0.514 peak=2548 ppm1=8.796 ppm2=7.729
assign ( resid 9 and name H
)
( resid 51 and name HD#
) 4.1 0.8 0.8 volume=0.472 peak=2549 ppm1=8.790 ppm2=7.585
assign ( resid 9 and name H
)
( resid 8 and name HA
or resid 9 and name HA
) 3.2 0.6 0.6 volume=1.083 peak=2550 ppm1=8.791 ppm2=4.939
assign ( resid 9 and name H
)
( resid 7 and name HA
or resid 55 and name HA
) 3.7 0.7 0.7 volume=0.433 peak=2551 ppm1=8.783 ppm2=4.069
assign ( resid 9 and name H
)
( resid 5 and name HA
or resid 6 and name HA
) 3.2 0.6 0.6 volume=1.004 peak=2552 ppm1=8.791 ppm2=4.304
assign ( resid 9 and name H
)
( resid 9 and name HB3
) 3.0 0.6 0.6 volume=1.559 peak=2553 ppm1=8.792 ppm2=3.684
assign ( resid 9 and name H
)
( resid 9 and name HB2
) 3.1 0.6 0.6 volume=1.105 peak=2554 ppm1=8.790 ppm2=3.387
assign ( resid 9 and name H
)
( resid 51 and name HB3
) 3.7 0.7 0.7 volume=0.416 peak=2555 ppm1=8.804 ppm2=2.949
assign ( resid 9 and name H
)
( resid 5 and name HG2#
or resid 10 and name HG
) 3.6 0.7 0.7 volume=0.793 peak=2556 ppm1=8.788 ppm2=1.926
assign ( resid 9 and name H
)
( resid 6 and name HG2#
) 4.4 0.9 0.9 volume=0.424 peak=2557 ppm1=8.798 ppm2=1.427
assign ( resid 9 and name H
)
( resid 10 and name HD1#
) 4.0 0.8 0.8 volume=0.732 peak=2558 ppm1=8.792 ppm2=0.988
assign ( resid 9 and name H
)
( resid 55 and name HB#
) 3.9 0.8 0.8 volume=0.989 peak=2559 ppm1=8.798 ppm2=0.208
assign ( resid 10 and name H
)
( resid 8 and name HA
or resid 9 and name HA
) 3.9 0.8 0.8 volume=0.292 peak=2560 ppm1=8.365 ppm2=4.929
assign ( resid 10 and name H
)
( resid 10 and name HA
) 3.2 0.6 0.6 volume=1.083 peak=2561 ppm1=8.368 ppm2=4.177
assign ( resid 10 and name H
)
( resid 9 and name HB3
) 3.7 0.7 0.7 volume=0.416 peak=2562 ppm1=8.366 ppm2=3.691
assign ( resid 10 and name H
)
( resid 9 and name HB2
or resid 11 and name HA2
or resid 11 and name HA3
) 3.7 0.7 0.7 volume=0.402 peak=2563 ppm1=8.367 ppm2=3.380
assign ( resid 10 and name H
)
( resid 9 and name H
) 3.7 0.7 0.7 volume=0.398 peak=2564 ppm1=8.367 ppm2=8.796
assign ( resid 10 and name H
)
( resid 11 and name H
) 3.7 0.7 0.7 volume=0.392 peak=2565 ppm1=8.373 ppm2=8.161
assign ( resid 203 and name H
)
( resid 205 and name H
) 3.7 0.7 0.7 volume=0.389 peak=2566 ppm1=8.387 ppm2=7.715
assign ( resid 10 and name H
)
( resid 6 and name HA
) 4.2 0.8 0.8 volume=0.197 peak=2567 ppm1=8.360 ppm2=4.297
assign ( resid 97 and name H
)
( resid 95 and name HA
) 4.0 0.8 0.8 volume=0.272 peak=2568 ppm1=8.356 ppm2=4.415
assign ( resid 195 and name H
)
( resid 191 and name HA
) 3.6 0.7 0.7 volume=0.471 peak=2569 ppm1=8.355 ppm2=3.774
assign ( resid 97 and name H
)
( resid 98 and name HB3
) 3.9 0.8 0.8 volume=0.300 peak=2570 ppm1=8.357 ppm2=3.398
assign ( resid 97 and name H
)
( resid 94 and name HB3
or resid 98 and name HB2
) 4.0 0.8 0.8 volume=0.277 peak=2571 ppm1=8.356 ppm2=3.200
assign ( resid 10 and name H
)
( resid 10 and name HB3
) 3.2 0.6 0.6 volume=1.063 peak=2572 ppm1=8.366 ppm2=2.036
assign ( resid 10 and name H
)
( resid 198 and name HG2#
) 4.5 0.9 0.9 volume=0.388 peak=2573 ppm1=8.367 ppm2=1.152
assign ( resid 77 and name H
)
( resid 77 and name HG2#
) 3.4 0.7 0.7 volume=2.195 peak=2574 ppm1=8.473 ppm2=1.008
assign ( resid 135 and name H
)
( resid 132 and name HG2#
or resid 135 and name HD1#
or resid 135 and name HG2#
) 3.3 0.7 0.7 volume=2.558 peak=2575 ppm1=8.193 ppm2=1.029
assign ( resid 77 and name H
)
( resid 77 and name HD1#
or resid 78 and name HD1#
or resid 78 and name HD2#
) 3.3 0.7 0.7 volume=2.647 peak=2576 ppm1=8.472 ppm2=0.886
assign ( resid 11 and name H
)
( resid 10 and name HG
) 3.5 0.7 0.7 volume=0.565 peak=2577 ppm1=8.130 ppm2=1.960
assign ( resid 12 and name H
)
( resid 9 and name HE3
) 4.1 0.8 0.8 volume=0.240 peak=2578 ppm1=8.561 ppm2=7.737
assign ( resid 13 and name H
)
( resid 9 and name HE3
) 4.4 0.9 0.9 volume=0.153 peak=2579 ppm1=9.020 ppm2=7.724
assign ( resid 15 and name H
)
( resid 13 and name HG2#
or resid 202 and name HD2#
or resid 206 and name HG1#
) 3.4 0.7 0.7 volume=2.168 peak=2580 ppm1=8.514 ppm2=1.019
assign ( resid 18 and name H
)
( resid 210 and name HE#
) 5.0 1.0 1.0 volume=0.135 peak=2581 ppm1=7.968 ppm2=7.249
assign ( resid 22 and name H
)
( resid 40 and name HD2#
) 5.1 1.0 1.0 volume=0.180 peak=2582 ppm1=8.751 ppm2=0.524
assign ( resid 24 and name H
)
( resid 22 and name HA
) 4.5 0.9 0.9 volume=0.128 peak=2583 ppm1=8.802 ppm2=4.883
assign ( resid 85 and name H
)
( resid 85 and name HB3
) 3.1 0.6 0.6 volume=1.169 peak=2584 ppm1=9.151 ppm2=3.396
assign ( resid 85 and name H
)
( resid 85 and name HB2
) 3.2 0.6 0.6 volume=0.922 peak=2585 ppm1=9.150 ppm2=3.602
assign ( resid 85 and name H
)
( resid 81 and name HA
or resid 82 and name HA
) 3.2 0.6 0.6 volume=1.014 peak=2586 ppm1=9.149 ppm2=4.467
assign ( resid 85 and name H
)
( resid 85 and name HA
) 3.2 0.6 0.6 volume=1.083 peak=2587 ppm1=9.149 ppm2=4.662
assign ( resid 241 and name H
)
( resid 240 and name HA
or resid 241 and name HA
) 3.2 0.6 0.6 volume=1.083 peak=2588 ppm1=8.277 ppm2=4.321
assign ( resid 240 and name H
)
( resid 240 and name HA
or resid 241 and name HA
) 3.2 0.6 0.6 volume=1.083 peak=2589 ppm1=8.168 ppm2=4.350
assign ( resid 241 and name H
)
( resid 241 and name HG2
or resid 241 and name HG3
) 4.3 0.9 0.9 volume=0.173 peak=2590 ppm1=8.285 ppm2=2.319
assign ( resid 241 and name H
)
( resid 241 and name HB3
or resid 241 and name HB2
) 3.1 0.6 0.6 volume=1.307 peak=2591 ppm1=8.286 ppm2=2.035
assign ( resid 241 and name H
)
( resid 240 and name HD1#
) 4.6 0.9 0.9 volume=0.334 peak=2592 ppm1=8.291 ppm2=0.998
assign ( resid 239 and name H
)
( resid 238 and name HA
) 2.7 0.5 0.5 volume=2.885 peak=2593 ppm1=8.212 ppm2=4.462
assign ( resid 240 and name H
)
( resid 241 and name HB3
or resid 241 and name HB2
) 4.5 0.9 0.9 volume=0.127 peak=2594 ppm1=8.168 ppm2=2.044
assign ( resid 240 and name H
)
( resid 240 and name HG
or resid 240 and name HB2
or resid 240 and name HB3
) 2.6 0.5 0.5 volume=3.182 peak=2595 ppm1=8.169 ppm2=1.795
assign ( resid 240 and name H
)
( resid 239 and name HB3
) 3.5 0.7 0.7 volume=0.565 peak=2596 ppm1=8.170 ppm2=2.913
assign ( resid 240 and name H
)
( resid 239 and name HB2
) 3.7 0.7 0.7 volume=0.405 peak=2597 ppm1=8.168 ppm2=2.823
assign ( resid 240 and name H
)
( resid 240 and name HD2#
) 4.1 0.8 0.8 volume=0.636 peak=2598 ppm1=8.172 ppm2=1.098
assign ( resid 97 and name H
)
( resid 93 and name HB2
) 4.3 0.9 0.9 volume=0.179 peak=2599 ppm1=8.356 ppm2=1.396
assign ( resid 238 and name H
)
( resid 237 and name H
) 3.7 0.7 0.7 volume=0.451 peak=2600 ppm1=8.291 ppm2=7.969
assign ( resid 238 and name H
)
( resid 238 and name HA
) 3.2 0.6 0.6 volume=1.083 peak=2601 ppm1=8.294 ppm2=4.461
assign ( resid 238 and name H
)
( resid 237 and name HA
) 2.7 0.5 0.5 volume=3.098 peak=2602 ppm1=8.293 ppm2=4.227
assign ( resid 238 and name H
)
( resid 237 and name HB
) 3.6 0.7 0.7 volume=0.478 peak=2603 ppm1=8.293 ppm2=2.236
assign ( resid 238 and name H
)
( resid 238 and name HB#
) 3.3 0.7 0.7 volume=2.390 peak=2604 ppm1=8.293 ppm2=1.525
assign ( resid 238 and name H
)
( resid 240 and name HD1#
) 4.2 0.8 0.8 volume=0.602 peak=2605 ppm1=8.301 ppm2=0.980
assign ( resid 236 and name H
)
( resid 236 and name HB#
) 3.1 0.6 0.6 volume=3.530 peak=2606 ppm1=8.367 ppm2=1.546
assign ( resid 234 and name H
)
( resid 232 and name HG2#
or resid 234 and name HG2#
) 5.5 1.1 1.1 volume=0.118 peak=2607 ppm1=8.118 ppm2=1.385
assign ( resid 234 and name H
)
( resid 234 and name HB
) 4.0 0.8 0.8 volume=0.254 peak=2608 ppm1=8.115 ppm2=4.305
assign ( resid 234 and name H
)
( resid 233 and name HA
) 3.5 0.7 0.7 volume=0.567 peak=2609 ppm1=8.115 ppm2=4.852
assign ( resid 234 and name H
)
( resid 234 and name HA
) 3.2 0.6 0.6 volume=1.083 peak=2610 ppm1=8.116 ppm2=4.708
assign ( resid 231 and name H
)
( resid 231 and name HB3
) 3.4 0.7 0.7 volume=0.648 peak=2611 ppm1=8.502 ppm2=2.919
assign ( resid 231 and name H
)
( resid 231 and name HB2
) 3.2 0.6 0.6 volume=1.024 peak=2612 ppm1=8.503 ppm2=2.813
assign ( resid 232 and name H
)
( resid 231 and name HB3
) 3.1 0.6 0.6 volume=1.136 peak=2613 ppm1=8.120 ppm2=2.892
assign ( resid 233 and name H
)
( resid 233 and name HB3
or resid 233 and name HB2
) 3.1 0.6 0.6 volume=1.323 peak=2614 ppm1=8.439 ppm2=2.827
assign ( resid 232 and name H
)
( resid 232 and name HG2#
) 3.5 0.7 0.7 volume=1.714 peak=2615 ppm1=8.119 ppm2=1.355
assign ( resid 230 and name H
)
( resid 230 and name HB
) 2.9 0.6 0.6 volume=1.979 peak=2616 ppm1=7.946 ppm2=2.285
assign ( resid 231 and name H
)
( resid 230 and name HB
) 3.5 0.7 0.7 volume=0.610 peak=2617 ppm1=8.503 ppm2=2.283
assign ( resid 231 and name H
)
( resid 230 and name HG1#
or resid 230 and name HG2#
) 4.1 0.8 0.8 volume=0.650 peak=2618 ppm1=8.503 ppm2=1.090
assign ( resid 231 and name H
)
( resid 230 and name HA
) 2.6 0.5 0.5 volume=3.318 peak=2619 ppm1=8.502 ppm2=4.358
assign ( resid 231 and name H
)
( resid 231 and name HA
) 3.2 0.6 0.6 volume=1.083 peak=2620 ppm1=8.502 ppm2=4.867
assign ( resid 231 and name H
)
( resid 230 and name H
) 3.4 0.7 0.7 volume=0.638 peak=2621 ppm1=8.503 ppm2=7.951
assign ( resid 230 and name H
)
( resid 230 and name HA
) 3.2 0.6 0.6 volume=1.083 peak=2622 ppm1=7.947 ppm2=4.363
assign ( resid 230 and name H
)
( resid 229 and name HA2
or resid 229 and name HA3
) 2.4 0.5 0.5 volume=5.620 peak=2623 ppm1=7.946 ppm2=4.138
assign ( resid 230 and name H
)
( resid 230 and name HG1#
or resid 230 and name HG2#
) 3.4 0.7 0.7 volume=2.207 peak=2624 ppm1=7.945 ppm2=1.078
assign ( resid 230 and name H
)
( resid 232 and name HG2#
) 4.2 0.8 0.8 volume=0.588 peak=2625 ppm1=7.950 ppm2=1.335
assign ( resid 232 and name H
)
( resid 232 and name HB
or resid 232 and name HA
) 3.0 0.6 0.6 volume=1.453 peak=2626 ppm1=8.117 ppm2=4.483
assign ( resid 232 and name H
)
( resid 230 and name HB
) 4.1 0.8 0.8 volume=0.233 peak=2627 ppm1=8.116 ppm2=2.280
assign ( resid 232 and name H
)
( resid 231 and name HA
or resid 233 and name HA
) 2.4 0.5 0.5 volume=5.891 peak=2628 ppm1=8.119 ppm2=4.868
assign ( resid 233 and name H
)
( resid 233 and name HA
) 3.2 0.6 0.6 volume=1.083 peak=2629 ppm1=8.438 ppm2=4.847
assign ( resid 32 and name H
)
( resid 33 and name HG3
or resid 33 and name HG2
) 4.2 0.8 0.8 volume=0.199 peak=2630 ppm1=9.108 ppm2=2.504
assign ( resid 107 and name H
or resid 195 and name H
)
( resid 106 and name HG2#
or resid 191 and name HG2#
) 3.6 0.7 0.7 volume=1.449 peak=2631 ppm1=8.348 ppm2=1.304
assign ( resid 107 and name H
or resid 195 and name H
)
( resid 107 and name HG2#
or resid 192 and name HG1#
or resid 192 and name HG2#
or resid 198 and name HG2#
) 3.0 0.6 0.6 volume=4.258 peak=2632 ppm1=8.348 ppm2=1.152
assign ( resid 107 and name H
or resid 195 and name H
)
( resid 108 and name HG2#
or resid 195 and name HB#
) 3.0 0.6 0.6 volume=4.279 peak=2633 ppm1=8.351 ppm2=1.545
assign ( resid 107 and name H
or resid 195 and name H
)
( resid 4 and name HD1#
or resid 108 and name HG1#
) 4.5 0.9 0.9 volume=0.414 peak=2634 ppm1=8.356 ppm2=0.702
assign ( resid 107 and name H
or resid 195 and name H
)
( resid 7 and name HD2#
or resid 107 and name HG1#
or resid 198 and name HG1#
) 3.1 0.6 0.6 volume=3.849 peak=2635 ppm1=8.349 ppm2=0.929
assign ( resid 124 and name H
)
( resid 124 and name HE#
) 3.8 0.8 0.8 volume=0.746 peak=2636 ppm1=8.208 ppm2=6.895
assign ( resid 37 and name H
)
( resid 35 and name H
) 4.2 0.8 0.8 volume=0.187 peak=2637 ppm1=7.375 ppm2=8.518
assign ( resid 37 and name H
)
( resid 40 and name HD2#
) 5.0 1.0 1.0 volume=0.214 peak=2638 ppm1=7.374 ppm2=0.535
assign ( resid 37 and name H
)
( resid 39 and name HG2#
) 5.0 1.0 1.0 volume=0.219 peak=2639 ppm1=7.378 ppm2=1.764
assign ( resid 42 and name H
)
( resid 40 and name H
) 4.9 1.0 1.0 volume=0.073 peak=2640 ppm1=8.571 ppm2=7.531
assign ( resid 42 and name H
)
( resid 39 and name H
) 4.7 0.9 0.9 volume=0.098 peak=2641 ppm1=8.561 ppm2=7.717
assign ( resid 43 and name H
)
( resid 44 and name H
) 3.7 0.7 0.7 volume=0.428 peak=2642 ppm1=8.287 ppm2=8.001
assign ( resid 44 and name H
)
( resid 40 and name HD1#
) 5.0 1.0 1.0 volume=0.195 peak=2643 ppm1=7.998 ppm2=0.415
assign ( resid 44 and name H
)
( resid 41 and name HB
) 4.1 0.8 0.8 volume=0.229 peak=2644 ppm1=7.999 ppm2=2.624
assign ( resid 44 and name H
)
( resid 19 and name HA
) 4.2 0.8 0.8 volume=0.189 peak=2645 ppm1=8.008 ppm2=4.801
assign ( resid 44 and name H
)
( resid 47 and name H
) 4.3 0.9 0.9 volume=0.169 peak=2646 ppm1=8.006 ppm2=6.919
assign ( resid 50 and name H
)
( resid 75 and name HB3
) 4.6 0.9 0.9 volume=0.119 peak=2647 ppm1=8.548 ppm2=3.235
assign ( resid 50 and name H
)
( resid 51 and name HB2
) 4.5 0.9 0.9 volume=0.136 peak=2648 ppm1=8.558 ppm2=3.489
assign ( resid 60 and name H
)
( resid 69 and name HD#
) 4.6 0.9 0.9 volume=0.241 peak=2649 ppm1=8.512 ppm2=6.744
assign ( resid 59 and name H
)
( resid 60 and name HD1
) 4.0 0.8 0.8 volume=0.275 peak=2650 ppm1=8.929 ppm2=7.161
assign ( resid 57 and name H
)
( resid 8 and name HE#
) 5.3 1.1 1.1 volume=0.092 peak=2651 ppm1=8.180 ppm2=6.728
assign ( resid 59 and name H
)
( resid 59 and name HA2
or resid 59 and name HA3
) 3.2 0.6 0.6 volume=1.083 peak=2652 ppm1=8.927 ppm2=3.722
assign ( resid 59 and name H
)
( resid 58 and name HA
) 2.8 0.6 0.6 volume=2.153 peak=2653 ppm1=8.929 ppm2=4.005
assign ( resid 59 and name H
)
( resid 60 and name HA
) 4.2 0.8 0.8 volume=0.191 peak=2654 ppm1=8.936 ppm2=5.172
assign ( resid 60 and name H
)
( resid 60 and name HA
) 3.2 0.6 0.6 volume=1.083 peak=2655 ppm1=8.512 ppm2=5.194
assign ( resid 59 and name H
)
( resid 58 and name HB
) 3.8 0.8 0.8 volume=0.364 peak=2656 ppm1=8.924 ppm2=2.062
assign ( resid 59 and name H
)
( resid 70 and name HG1#
) 5.1 1.0 1.0 volume=0.185 peak=2657 ppm1=8.931 ppm2=1.422
assign ( resid 59 and name H
)
( resid 58 and name HG1#
or resid 58 and name HG2#
) 3.4 0.7 0.7 volume=2.032 peak=2658 ppm1=8.929 ppm2=0.921
assign ( resid 60 and name H
)
( resid 60 and name HB3
) 3.2 0.6 0.6 volume=1.018 peak=2659 ppm1=8.515 ppm2=3.054
assign ( resid 60 and name H
)
( resid 61 and name HG1#
) 4.1 0.8 0.8 volume=0.711 peak=2660 ppm1=8.512 ppm2=1.108
assign ( resid 60 and name H
)
( resid 58 and name HG1#
or resid 58 and name HG2#
) 3.8 0.8 0.8 volume=0.992 peak=2661 ppm1=8.516 ppm2=0.933
assign ( resid 59 and name H
)
( resid 70 and name HB
) 4.3 0.9 0.9 volume=0.161 peak=2662 ppm1=8.929 ppm2=2.545
assign ( resid 60 and name H
)
( resid 58 and name HA
) 3.1 0.6 0.6 volume=1.277 peak=2663 ppm1=8.513 ppm2=4.010
assign ( resid 60 and name HE1
)
( resid 55 and name HA
) 4.2 0.8 0.8 volume=0.193 peak=2664 ppm1=10.281 ppm2=4.092
assign ( resid 59 and name H
)
( resid 58 and name H
) 4.0 0.8 0.8 volume=0.272 peak=2665 ppm1=8.925 ppm2=7.779
assign ( resid 59 and name H
)
( resid 60 and name H
) 3.3 0.7 0.7 volume=0.848 peak=2666 ppm1=8.928 ppm2=8.516
assign ( resid 60 and name H
)
( resid 61 and name H
) 3.9 0.8 0.8 volume=0.307 peak=2667 ppm1=8.518 ppm2=9.180
assign ( resid 60 and name H
)
( resid 59 and name H
) 3.1 0.6 0.6 volume=1.299 peak=2668 ppm1=8.512 ppm2=8.936
assign ( resid 63 and name H
)
( resid 66 and name HA
) 4.0 0.8 0.8 volume=0.270 peak=2669 ppm1=8.620 ppm2=4.992
assign ( resid 60 and name H
)
( resid 59 and name HA2
or resid 59 and name HA3
or resid 60 and name HB2
) 2.9 0.6 0.6 volume=1.831 peak=2670 ppm1=8.513 ppm2=3.676
assign ( resid 60 and name H
)
( resid 58 and name HB
) 4.3 0.9 0.9 volume=0.161 peak=2671 ppm1=8.521 ppm2=2.050
assign ( resid 60 and name H
)
( resid 67 and name HG2#
) 4.2 0.8 0.8 volume=0.581 peak=2672 ppm1=8.510 ppm2=0.618
assign ( resid 66 and name H
)
( resid 62 and name HA
) 4.2 0.8 0.8 volume=0.210 peak=2673 ppm1=8.693 ppm2=5.135
assign ( resid 67 and name H
)
( resid 68 and name HA
) 4.2 0.8 0.8 volume=0.200 peak=2674 ppm1=8.112 ppm2=4.073
assign ( resid 69 and name H
)
( resid 68 and name H
) 3.8 0.8 0.8 volume=0.354 peak=2675 ppm1=8.118 ppm2=9.299
assign ( resid 70 and name H
)
( resid 69 and name HB3
) 4.2 0.8 0.8 volume=0.207 peak=2676 ppm1=8.764 ppm2=3.226
assign ( resid 70 and name H
)
( resid 69 and name HB2
) 4.4 0.9 0.9 volume=0.140 peak=2677 ppm1=8.756 ppm2=2.786
assign ( resid 69 and name H
)
( resid 67 and name HG2#
) 4.5 0.9 0.9 volume=0.391 peak=2678 ppm1=8.129 ppm2=0.624
assign ( resid 74 and name H
)
( resid 72 and name HA
) 4.0 0.8 0.8 volume=0.253 peak=2679 ppm1=7.191 ppm2=3.775
assign ( resid 73 and name H
)
( resid 76 and name H
) 3.5 0.7 0.7 volume=0.616 peak=2680 ppm1=6.370 ppm2=8.124
assign ( resid 74 and name H
)
( resid 75 and name HB3
) 4.2 0.8 0.8 volume=0.206 peak=2681 ppm1=7.194 ppm2=3.231
assign ( resid 74 and name H
)
( resid 72 and name H
) 4.3 0.9 0.9 volume=0.178 peak=2682 ppm1=7.175 ppm2=6.579
assign ( resid 75 and name H
)
( resid 73 and name H
) 4.5 0.9 0.9 volume=0.132 peak=2683 ppm1=7.754 ppm2=6.385
assign ( resid 78 and name H
)
( resid 75 and name HB3
) 4.4 0.9 0.9 volume=0.157 peak=2684 ppm1=7.690 ppm2=3.208
assign ( resid 85 and name H
)
( resid 84 and name HA
) 3.7 0.7 0.7 volume=0.450 peak=2685 ppm1=9.145 ppm2=3.780
assign ( resid 85 and name H
)
( resid 82 and name H
or resid 85 and name HD#
) 3.2 0.6 0.6 volume=1.279 peak=2686 ppm1=9.148 ppm2=6.916
assign ( resid 85 and name H
)
( resid 83 and name HG2#
) 4.9 1.0 1.0 volume=0.238 peak=2687 ppm1=9.145 ppm2=0.861
assign ( resid 85 and name H
)
( resid 84 and name HG1#
) 3.9 0.8 0.8 volume=0.886 peak=2688 ppm1=9.148 ppm2=1.301
assign ( resid 85 and name H
)
( resid 84 and name HB
) 3.3 0.7 0.7 volume=0.814 peak=2689 ppm1=9.146 ppm2=2.356
assign ( resid 85 and name H
)
( resid 86 and name H
) 3.5 0.7 0.7 volume=0.575 peak=2690 ppm1=9.147 ppm2=8.711
assign ( resid 85 and name H
)
( resid 84 and name H
) 3.5 0.7 0.7 volume=0.613 peak=2691 ppm1=9.153 ppm2=8.292
assign ( resid 85 and name H
)
( resid 86 and name HB3
) 4.1 0.8 0.8 volume=0.241 peak=2692 ppm1=9.145 ppm2=2.497
assign ( resid 88 and name H
)
( resid 85 and name HD#
) 5.1 1.0 1.0 volume=0.122 peak=2693 ppm1=9.498 ppm2=6.923
assign ( resid 89 and name H
)
( resid 85 and name HD#
) 5.0 1.0 1.0 volume=0.143 peak=2694 ppm1=9.008 ppm2=6.896
assign ( resid 89 and name H
)
( resid 85 and name HA
) 4.5 0.9 0.9 volume=0.137 peak=2695 ppm1=9.027 ppm2=4.669
assign ( resid 93 and name H
)
( resid 89 and name HD2#
) 5.6 1.1 1.1 volume=0.104 peak=2696 ppm1=7.433 ppm2=0.668
assign ( resid 94 and name H
)
( resid 98 and name HD#
) 5.3 1.1 1.1 volume=0.096 peak=2697 ppm1=8.453 ppm2=7.314
assign ( resid 94 and name H
)
( resid 97 and name HG2
) 4.1 0.8 0.8 volume=0.222 peak=2698 ppm1=8.428 ppm2=2.708
assign ( resid 97 and name H
)
( resid 93 and name HD1#
or resid 93 and name HD2#
or resid 93 and name HB3
) 3.9 0.8 0.8 volume=0.519 peak=2699 ppm1=8.355 ppm2=0.779
assign ( resid 97 and name H
)
( resid 100 and name HD1#
) 4.6 0.9 0.9 volume=0.339 peak=2700 ppm1=8.355 ppm2=1.082
assign ( resid 97 and name H
)
( resid 96 and name HB3
) 4.1 0.8 0.8 volume=0.227 peak=2701 ppm1=8.353 ppm2=1.733
assign ( resid 97 and name H
)
( resid 96 and name HB2
) 4.1 0.8 0.8 volume=0.230 peak=2702 ppm1=8.357 ppm2=1.861
assign ( resid 97 and name H
)
( resid 97 and name HG3
) 3.5 0.7 0.7 volume=0.600 peak=2703 ppm1=8.356 ppm2=2.547
assign ( resid 97 and name H
)
( resid 97 and name HG2
) 3.3 0.7 0.7 volume=0.821 peak=2704 ppm1=8.355 ppm2=2.703
assign ( resid 100 and name H
)
( resid 98 and name HB3
) 4.8 1.0 1.0 volume=0.084 peak=2705 ppm1=7.904 ppm2=3.366
assign ( resid 106 and name H
)
( resid 108 and name H
) 4.3 0.9 0.9 volume=0.182 peak=2706 ppm1=8.251 ppm2=7.766
assign ( resid 105 and name H
)
( resid 102 and name H
) 4.3 0.9 0.9 volume=0.166 peak=2707 ppm1=8.219 ppm2=8.653
assign ( resid 108 and name H
)
( resid 111 and name H
) 4.0 0.8 0.8 volume=0.251 peak=2708 ppm1=7.752 ppm2=8.691
assign ( resid 110 and name H
)
( resid 108 and name HG1#
) 5.3 1.1 1.1 volume=0.153 peak=2709 ppm1=8.996 ppm2=0.777
assign ( resid 114 and name H
)
( resid 126 and name HB3
) 4.3 0.9 0.9 volume=0.165 peak=2710 ppm1=8.898 ppm2=2.215
assign ( resid 110 and name H
)
( resid 113 and name H
) 4.5 0.9 0.9 volume=0.122 peak=2711 ppm1=8.999 ppm2=8.133
assign ( resid 125 and name H
)
( resid 128 and name H
) 5.0 1.0 1.0 volume=0.066 peak=2712 ppm1=7.995 ppm2=8.569
assign ( resid 128 and name H
)
( resid 124 and name HD#
) 5.2 1.0 1.0 volume=0.103 peak=2713 ppm1=8.558 ppm2=7.420
assign ( resid 131 and name H
)
( resid 108 and name HG1#
) 5.3 1.1 1.1 volume=0.146 peak=2714 ppm1=8.722 ppm2=0.754
assign ( resid 131 and name H
)
( resid 127 and name HD#
) 4.9 1.0 1.0 volume=0.151 peak=2715 ppm1=8.724 ppm2=6.487
assign ( resid 132 and name H
)
( resid 129 and name HG2
) 4.5 0.9 0.9 volume=0.122 peak=2716 ppm1=8.085 ppm2=2.656
assign ( resid 135 and name H
)
( resid 138 and name H
) 4.3 0.9 0.9 volume=0.161 peak=2717 ppm1=8.179 ppm2=8.735
assign ( resid 135 and name H
)
( resid 134 and name H
or resid 137 and name H
) 3.6 0.7 0.7 volume=0.531 peak=2718 ppm1=8.188 ppm2=8.541
assign ( resid 139 and name H
)
( resid 141 and name HD2#
) 5.5 1.1 1.1 volume=0.114 peak=2719 ppm1=8.595 ppm2=0.681
assign ( resid 140 and name H
)
( resid 141 and name HA
) 4.1 0.8 0.8 volume=0.242 peak=2720 ppm1=8.327 ppm2=4.551
assign ( resid 143 and name H
)
( resid 141 and name H
) 4.3 0.9 0.9 volume=0.175 peak=2721 ppm1=8.302 ppm2=8.463
assign ( resid 147 and name H
)
( resid 145 and name H
) 4.3 0.9 0.9 volume=0.168 peak=2722 ppm1=8.202 ppm2=8.815
assign ( resid 145 and name H
)
( resid 148 and name H
) 4.3 0.9 0.9 volume=0.161 peak=2723 ppm1=8.800 ppm2=8.093
assign ( resid 146 and name H
)
( resid 91 and name HB#
) 5.1 1.0 1.0 volume=0.177 peak=2724 ppm1=7.126 ppm2=1.222
assign ( resid 146 and name H
)
( resid 149 and name H
) 4.3 0.9 0.9 volume=0.180 peak=2725 ppm1=7.106 ppm2=7.965
assign ( resid 153 and name H
)
( resid 154 and name H
) 4.0 0.8 0.8 volume=0.255 peak=2726 ppm1=8.000 ppm2=8.946
assign ( resid 153 and name H
)
( resid 156 and name HG12
) 3.7 0.7 0.7 volume=0.422 peak=2727 ppm1=7.999 ppm2=1.273
assign ( resid 153 and name H
)
( resid 156 and name HG2#
) 3.5 0.7 0.7 volume=1.750 peak=2728 ppm1=8.002 ppm2=1.098
assign ( resid 153 and name H
)
( resid 156 and name HB
) 2.6 0.5 0.5 volume=3.865 peak=2729 ppm1=8.001 ppm2=2.210
assign ( resid 153 and name H
)
( resid 152 and name HD2
) 3.5 0.7 0.7 volume=0.633 peak=2730 ppm1=7.999 ppm2=3.346
assign ( resid 153 and name H
)
( resid 152 and name HD3
) 3.4 0.7 0.7 volume=0.645 peak=2731 ppm1=8.001 ppm2=3.232
assign ( resid 153 and name H
)
( resid 152 and name HA
) 2.6 0.5 0.5 volume=3.874 peak=2732 ppm1=8.001 ppm2=4.641
assign ( resid 153 and name H
)
( resid 152 and name H
or resid 156 and name H
) 2.9 0.6 0.6 volume=1.684 peak=2733 ppm1=8.001 ppm2=7.577
assign ( resid 153 and name H
)
( resid 157 and name H
) 4.0 0.8 0.8 volume=0.278 peak=2734 ppm1=7.997 ppm2=8.635
assign ( resid 160 and name H
)
( resid 158 and name H
) 4.8 1.0 1.0 volume=0.086 peak=2735 ppm1=9.099 ppm2=8.323
assign ( resid 163 and name H
)
( resid 159 and name HB3
or resid 162 and name HB2
) 3.3 0.7 0.7 volume=0.801 peak=2736 ppm1=8.190 ppm2=2.081
assign ( resid 163 and name H
)
( resid 162 and name HB3
) 3.2 0.6 0.6 volume=0.977 peak=2737 ppm1=8.190 ppm2=1.968
assign ( resid 162 and name H
)
( resid 163 and name HD2#
) 5.2 1.0 1.0 volume=0.168 peak=2738 ppm1=7.742 ppm2=0.537
assign ( resid 163 and name H
)
( resid 159 and name HB2
or resid 163 and name HB3
or resid 163 and name HG
) 3.0 0.6 0.6 volume=1.450 peak=2739 ppm1=8.190 ppm2=1.704
assign ( resid 167 and name H
)
( resid 208 and name HD#
) 4.7 0.9 0.9 volume=0.191 peak=2740 ppm1=7.838 ppm2=6.992
assign ( resid 163 and name H
)
( resid 160 and name HD#
) 4.9 1.0 1.0 volume=0.162 peak=2741 ppm1=8.192 ppm2=7.007
assign ( resid 164 and name H
)
( resid 166 and name H
) 4.5 0.9 0.9 volume=0.138 peak=2742 ppm1=9.596 ppm2=7.577
assign ( resid 164 and name H
)
( resid 165 and name HD21
) 4.3 0.9 0.9 volume=0.179 peak=2743 ppm1=9.559 ppm2=7.628
assign ( resid 165 and name H
)
( resid 161 and name HG1#
or resid 163 and name HB2
) 3.5 0.7 0.7 volume=0.951 peak=2744 ppm1=8.685 ppm2=1.303
assign ( resid 170 and name H
)
( resid 167 and name HG2#
) 5.1 1.0 1.0 volume=0.182 peak=2745 ppm1=7.934 ppm2=-0.161
assign ( resid 170 and name H
)
( resid 168 and name H
) 4.3 0.9 0.9 volume=0.163 peak=2746 ppm1=7.934 ppm2=8.818
assign ( resid 24 and name HE1
)
( resid 24 and name HB3
) 3.3 0.7 0.7 volume=0.903 peak=2747 ppm1=10.362 ppm2=3.656
assign ( resid 24 and name HE1
)
( resid 24 and name HB2
) 3.2 0.6 0.6 volume=1.014 peak=2748 ppm1=10.366 ppm2=3.532
assign ( resid 24 and name HE1
)
( resid 24 and name HZ2
) 2.1 0.4 0.4 volume=12.474 peak=2749 ppm1=10.364 ppm2=7.634
assign ( resid 24 and name HE1
)
( resid 24 and name HD1
) 1.8 0.1 0.4 volume=32.287 peak=2750 ppm1=10.364 ppm2=7.288
assign ( resid 171 and name HE1
)
( resid 171 and name H
) 4.2 0.8 0.8 volume=0.187 peak=2751 ppm1=10.206 ppm2=9.867
assign ( resid 9 and name H
)
( resid 9 and name HE1
) 4.2 0.8 0.8 volume=0.188 peak=2752 ppm1=8.791 ppm2=10.318
assign ( resid 178 and name H
)
( resid 178 and name HE3
) 4.3 0.9 0.9 volume=0.172 peak=2753 ppm1=8.202 ppm2=6.893
assign ( resid 172 and name H
)
( resid 174 and name HD#
) 5.3 1.1 1.1 volume=0.093 peak=2754 ppm1=7.750 ppm2=7.125
assign ( resid 173 and name H
)
( resid 176 and name HB2
) 4.3 0.9 0.9 volume=0.163 peak=2755 ppm1=7.863 ppm2=3.471
assign ( resid 184 and name H
)
( resid 185 and name H
) 3.4 0.7 0.7 volume=0.654 peak=2756 ppm1=7.177 ppm2=9.129
assign ( resid 60 and name HE1
)
( resid 60 and name HH2
) 4.1 0.8 0.8 volume=0.239 peak=2757 ppm1=10.291 ppm2=7.549
assign ( resid 24 and name H
)
( resid 26 and name H
) 4.8 1.0 1.0 volume=0.085 peak=2758 ppm1=8.808 ppm2=7.829
assign ( resid 184 and name H
)
( resid 181 and name H
or resid 186 and name H
) 3.4 0.7 0.7 volume=0.698 peak=2759 ppm1=7.175 ppm2=8.045
assign ( resid 184 and name H
)
( resid 178 and name HE3
) 3.6 0.7 0.7 volume=0.501 peak=2760 ppm1=7.179 ppm2=6.885
assign ( resid 184 and name H
)
( resid 178 and name HZ3
) 4.2 0.8 0.8 volume=0.190 peak=2761 ppm1=7.175 ppm2=6.523
assign ( resid 184 and name H
)
( resid 184 and name HA2
) 2.9 0.6 0.6 volume=1.814 peak=2762 ppm1=7.177 ppm2=4.297
assign ( resid 184 and name H
)
( resid 184 and name HA3
) 3.2 0.6 0.6 volume=1.083 peak=2763 ppm1=7.177 ppm2=4.110
assign ( resid 184 and name H
)
( resid 185 and name HG2#
) 4.1 0.8 0.8 volume=0.687 peak=2764 ppm1=7.178 ppm2=1.300
assign ( resid 184 and name H
)
( resid 179 and name HD2#
) 5.1 1.0 1.0 volume=0.179 peak=2765 ppm1=7.181 ppm2=0.895
assign ( resid 189 and name H
)
( resid 188 and name HG
) 4.5 0.9 0.9 volume=0.132 peak=2766 ppm1=7.805 ppm2=2.058
assign ( resid 196 and name H
)
( resid 198 and name H
) 4.1 0.8 0.8 volume=0.224 peak=2767 ppm1=8.500 ppm2=8.750
assign ( resid 196 and name H
)
( resid 194 and name HG1#
) 5.0 1.0 1.0 volume=0.219 peak=2768 ppm1=8.520 ppm2=0.450
assign ( resid 197 and name H
)
( resid 200 and name HD1#
) 4.6 0.9 0.9 volume=0.351 peak=2769 ppm1=8.057 ppm2=0.287
assign ( resid 197 and name H
)
( resid 199 and name H
) 4.2 0.8 0.8 volume=0.189 peak=2770 ppm1=8.053 ppm2=7.509
assign ( resid 199 and name H
)
( resid 200 and name HD1#
) 5.2 1.0 1.0 volume=0.162 peak=2771 ppm1=7.515 ppm2=0.274
assign ( resid 200 and name H
)
( resid 200 and name HD1#
) 4.0 0.8 0.8 volume=0.797 peak=2772 ppm1=8.568 ppm2=0.293
assign ( resid 201 and name H
)
( resid 199 and name H
) 4.5 0.9 0.9 volume=0.128 peak=2773 ppm1=9.721 ppm2=7.535
assign ( resid 202 and name H
)
( resid 200 and name HA
) 4.6 0.9 0.9 volume=0.118 peak=2774 ppm1=8.479 ppm2=3.879
assign ( resid 203 and name H
)
( resid 201 and name HB3
) 4.2 0.8 0.8 volume=0.190 peak=2775 ppm1=8.389 ppm2=3.241
assign ( resid 204 and name H
)
( resid 202 and name H
) 4.2 0.8 0.8 volume=0.183 peak=2776 ppm1=9.414 ppm2=8.515
assign ( resid 208 and name H
)
( resid 211 and name HB
) 4.5 0.9 0.9 volume=0.129 peak=2777 ppm1=7.500 ppm2=2.090
assign ( resid 206 and name H
)
( resid 207 and name HA3
) 3.9 0.8 0.8 volume=0.320 peak=2778 ppm1=7.838 ppm2=3.904
assign ( resid 208 and name H
)
( resid 205 and name H
) 4.6 0.9 0.9 volume=0.110 peak=2779 ppm1=7.508 ppm2=7.713
assign ( resid 209 and name H
)
( resid 211 and name HB
) 4.3 0.9 0.9 volume=0.159 peak=2780 ppm1=8.064 ppm2=2.099
assign ( resid 210 and name H
)
( resid 213 and name HB2
) 4.5 0.9 0.9 volume=0.138 peak=2781 ppm1=9.166 ppm2=1.873
assign ( resid 213 and name H
)
( resid 216 and name H
) 4.7 0.9 0.9 volume=0.096 peak=2782 ppm1=8.618 ppm2=8.253
assign ( resid 217 and name H
)
( resid 220 and name HD2
or resid 220 and name HD3
) 5.0 1.0 1.0 volume=0.067 peak=2783 ppm1=8.264 ppm2=3.403
assign ( resid 171 and name HE1
)
( resid 80 and name HG2#
) 5.3 1.1 1.1 volume=0.152 peak=2784 ppm1=10.197 ppm2=0.457
assign ( resid 171 and name H
)
( resid 174 and name HD#
) 4.9 1.0 1.0 volume=0.148 peak=2785 ppm1=9.877 ppm2=7.096
assign ( resid 7 and name H
)
( resid 8 and name HD#
) 4.3 0.9 0.9 volume=0.356 peak=2786 ppm1=7.513 ppm2=7.127
assign ( resid 19 and name H
)
( resid 22 and name HD#
) 4.2 0.8 0.8 volume=0.368 peak=2787 ppm1=8.402 ppm2=7.230
assign ( resid 18 and name H
)
( resid 16 and name H
) 4.3 0.9 0.9 volume=0.171 peak=2788 ppm1=7.984 ppm2=9.032
assign ( resid 54 and name H
)
( resid 60 and name HE1
) 4.1 0.8 0.8 volume=0.217 peak=2789 ppm1=7.673 ppm2=10.285
assign ( resid 87 and name H
)
( resid 90 and name H
) 3.7 0.7 0.7 volume=0.406 peak=2790 ppm1=8.587 ppm2=7.875
assign ( resid 151 and name HE22
)
( resid 151 and name HA
) 3.4 0.7 0.7 volume=0.655 peak=2791 ppm1=7.421 ppm2=4.563
assign ( resid 151 and name HE21
)
( resid 151 and name HA
) 3.3 0.7 0.7 volume=0.770 peak=2792 ppm1=6.864 ppm2=4.560
assign ( resid 151 and name HE22
)
( resid 151 and name HG2
) 2.8 0.6 0.6 volume=2.264 peak=2793 ppm1=7.422 ppm2=2.632
assign ( resid 151 and name HE21
)
( resid 151 and name HG2
) 2.8 0.6 0.6 volume=2.357 peak=2794 ppm1=6.863 ppm2=2.635
assign ( resid 151 and name HE22
)
( resid 151 and name HE21
) 1.6 0.1 0.3 volume=55.004 peak=2795 ppm1=7.422 ppm2=6.871
assign ( resid 151 and name HE21
)
( resid 151 and name HE22
) 1.6 0.1 0.3 volume=64.790 peak=2796 ppm1=6.863 ppm2=7.425
assign ( resid 165 and name HD21
)
( resid 161 and name HA
or resid 165 and name HB3
) 3.6 0.7 0.7 volume=0.524 peak=2797 ppm1=7.622 ppm2=3.200
assign ( resid 165 and name HD22
)
( resid 161 and name HA
or resid 165 and name HB3
) 3.6 0.7 0.7 volume=0.531 peak=2798 ppm1=7.190 ppm2=3.214
assign ( resid 105 and name HD21
)
( resid 105 and name HD22
) 4.0 0.8 0.8 volume=0.278 peak=2799 ppm1=7.611 ppm2=5.925
assign ( resid 165 and name HD22
)
( resid 165 and name H
) 4.1 0.8 0.8 volume=0.215 peak=2800 ppm1=7.182 ppm2=8.689
assign ( resid 165 and name HD21
)
( resid 165 and name H
) 4.2 0.8 0.8 volume=0.202 peak=2801 ppm1=7.629 ppm2=8.666
assign ( resid 165 and name HD22
)
( resid 165 and name HD21
) 3.0 0.6 0.6 volume=1.472 peak=2802 ppm1=7.190 ppm2=7.630
assign ( resid 165 and name HD21
)
( resid 165 and name HD22
) 3.1 0.6 0.6 volume=1.236 peak=2803 ppm1=7.623 ppm2=7.193
assign ( resid 165 and name HD21
)
( resid 165 and name HA
) 3.9 0.8 0.8 volume=0.297 peak=2804 ppm1=7.622 ppm2=4.412
assign ( resid 165 and name HD22
)
( resid 165 and name HA
) 4.1 0.8 0.8 volume=0.237 peak=2805 ppm1=7.194 ppm2=4.406
assign ( resid 165 and name HD21
)
( resid 162 and name HA
) 4.2 0.8 0.8 volume=0.196 peak=2806 ppm1=7.619 ppm2=4.160
assign ( resid 165 and name HD22
)
( resid 162 and name HA
) 4.0 0.8 0.8 volume=0.278 peak=2807 ppm1=7.196 ppm2=4.141
assign ( resid 165 and name HD21
)
( resid 165 and name HB2
) 3.7 0.7 0.7 volume=0.429 peak=2808 ppm1=7.622 ppm2=2.751
assign ( resid 165 and name HD22
)
( resid 165 and name HB2
) 3.5 0.7 0.7 volume=0.546 peak=2809 ppm1=7.192 ppm2=2.744
assign ( resid 165 and name HD22
)
( resid 161 and name HG2#
) 4.0 0.8 0.8 volume=0.793 peak=2810 ppm1=7.185 ppm2=1.087
assign ( resid 165 and name HD21
)
( resid 161 and name HG2#
) 4.1 0.8 0.8 volume=0.681 peak=2811 ppm1=7.627 ppm2=1.084
assign ( resid 165 and name HD21
)
( resid 161 and name HG1#
) 5.0 1.0 1.0 volume=0.206 peak=2812 ppm1=7.622 ppm2=1.312
assign ( resid 165 and name HD22
)
( resid 161 and name HG1#
) 5.0 1.0 1.0 volume=0.205 peak=2813 ppm1=7.192 ppm2=1.306
assign ( resid 105 and name HD22
)
( resid 105 and name HD21
) 4.3 0.9 0.9 volume=0.177 peak=2814 ppm1=5.923 ppm2=7.588
assign ( resid 105 and name HD21
)
( resid 105 and name HA
) 4.3 0.9 0.9 volume=0.161 peak=2815 ppm1=7.604 ppm2=4.324
assign ( resid 105 and name HD21
)
( resid 105 and name HB2
) 4.2 0.8 0.8 volume=0.195 peak=2816 ppm1=7.607 ppm2=2.747
assign ( resid 105 and name HD21
)
( resid 84 and name HG2#
) 5.1 1.0 1.0 volume=0.173 peak=2817 ppm1=7.609 ppm2=1.050
assign ( resid 105 and name HD21
)
( resid 80 and name HG2#
) 5.2 1.0 1.0 volume=0.162 peak=2818 ppm1=7.608 ppm2=0.448
assign ( resid 105 and name HD22
)
( resid 105 and name HB2
) 4.5 0.9 0.9 volume=0.124 peak=2819 ppm1=5.919 ppm2=2.750
assign ( resid 105 and name HD22
)
( resid 109 and name HE#
) 5.4 1.1 1.1 volume=0.133 peak=2820 ppm1=5.910 ppm2=1.436
assign ( resid 105 and name HD22
)
( resid 84 and name HG2#
) 5.5 1.1 1.1 volume=0.122 peak=2821 ppm1=5.915 ppm2=1.116
assign ( resid 105 and name HD22
)
( resid 105 and name HA
) 4.3 0.9 0.9 volume=0.163 peak=2822 ppm1=5.914 ppm2=4.259
assign ( resid 171 and name H
)
( resid 171 and name HE1
) 4.5 0.9 0.9 volume=0.132 peak=2823 ppm1=9.895 ppm2=10.210
assign ( resid 159 and name H
)
( resid 219 and name HD1#
or resid 219 and name HD2#
) 4.8 1.0 1.0 volume=0.276 peak=2824 ppm1=7.712 ppm2=0.863
assign ( resid 230 and name H
)
( resid 231 and name H
) 3.3 0.7 0.7 volume=0.887 peak=2825 ppm1=7.946 ppm2=8.497
assign ( resid 232 and name H
)
( resid 231 and name H
or resid 233 and name H
) 2.7 0.5 0.5 volume=2.804 peak=2826 ppm1=8.118 ppm2=8.455
assign ( resid 233 and name H
)
( resid 232 and name H
or resid 234 and name H
) 2.7 0.5 0.5 volume=2.573 peak=2827 ppm1=8.439 ppm2=8.117
assign ( resid 234 and name H
)
( resid 233 and name H
) 3.8 0.8 0.8 volume=0.369 peak=2828 ppm1=8.114 ppm2=8.449
assign ( resid 230 and name H
)
( resid 229 and name H
) 3.3 0.7 0.7 volume=0.882 peak=2829 ppm1=7.943 ppm2=8.362
assign ( resid 177 and name HD1#
)
( resid 200 and name HD1#
) 4.2 0.8 0.8 volume=1.848 peak=1 ppm1=0.761 ppm2=0.284
assign ( resid 177 and name HD1#
)
( resid 197 and name HD1#
) 4.5 0.9 0.9 volume=1.131 peak=2 ppm1=0.757 ppm2=1.096
assign ( resid 177 and name HD1#
)
( resid 196 and name HD2#
) 4.9 1.0 1.0 volume=0.663 peak=3 ppm1=0.764 ppm2=0.966
assign ( resid 43 and name HD1#
)
( resid 40 and name HD1#
) 4.5 0.9 0.9 volume=1.114 peak=4 ppm1=0.849 ppm2=0.405
assign ( resid 46 and name HD1#
)
( resid 43 and name HD1#
) 4.6 0.9 0.9 volume=0.963 peak=5 ppm1=0.881 ppm2=0.867
assign ( resid 46 and name HD1#
)
( resid 82 and name HD2#
) 4.6 0.9 0.9 volume=1.016 peak=6 ppm1=0.894 ppm2=1.100
assign ( resid 46 and name HD1#
)
( resid 78 and name HD2#
) 4.9 1.0 1.0 volume=0.691 peak=7 ppm1=0.886 ppm2=0.858
assign ( resid 74 and name HD1#
)
( resid 70 and name HG2#
) 4.1 0.8 0.8 volume=1.982 peak=8 ppm1=0.706 ppm2=1.164
assign ( resid 74 and name HD1#
)
( resid 77 and name HD1#
) 4.5 0.9 0.9 volume=1.102 peak=9 ppm1=0.708 ppm2=0.864
assign ( resid 77 and name HD1#
)
( resid 74 and name HD1#
) 4.7 0.9 0.9 volume=0.941 peak=10 ppm1=0.865 ppm2=0.714
assign ( resid 77 and name HD1#
)
( resid 110 and name HD2#
) 4.4 0.9 0.9 volume=1.409 peak=11 ppm1=0.874 ppm2=0.987
assign ( resid 102 and name HD1#
)
( resid 84 and name HG2#
) 4.2 0.8 0.8 volume=1.723 peak=12 ppm1=1.031 ppm2=1.079
assign ( resid 156 and name HD1#
)
( resid 90 and name HD2#
) 4.8 1.0 1.0 volume=0.836 peak=13 ppm1=0.960 ppm2=0.931
assign ( resid 173 and name HD1#
)
( resid 200 and name HD2#
) 4.5 0.9 0.9 volume=1.202 peak=14 ppm1=0.996 ppm2=0.807
assign ( resid 177 and name HD1#
)
( resid 200 and name HD2#
) 5.0 1.0 1.0 volume=0.591 peak=15 ppm1=0.765 ppm2=0.847
assign ( resid 197 and name HD1#
)
( resid 200 and name HD1#
) 5.0 1.0 1.0 volume=0.628 peak=16 ppm1=1.089 ppm2=0.289
assign ( resid 197 and name HD1#
)
( resid 177 and name HD1#
) 4.3 0.9 0.9 volume=1.534 peak=17 ppm1=1.088 ppm2=0.756
assign ( resid 194 and name HG1#
)
( resid 198 and name HG2#
) 5.1 1.0 1.0 volume=0.566 peak=18 ppm1=0.450 ppm2=1.151
assign ( resid 163 and name HD2#
)
( resid 90 and name HD1#
) 5.0 1.0 1.0 volume=0.608 peak=19 ppm1=0.526 ppm2=1.116
assign ( resid 163 and name HD1#
)
( resid 211 and name HD1#
) 5.2 1.0 1.0 volume=0.516 peak=20 ppm1=0.283 ppm2=0.924
assign ( resid 168 and name HG1#
)
( resid 141 and name HD2#
) 4.8 1.0 1.0 volume=0.757 peak=21 ppm1=1.072 ppm2=0.663
assign ( resid 137 and name HD2#
)
( resid 101 and name HG1#
) 4.6 0.9 0.9 volume=0.977 peak=22 ppm1=1.206 ppm2=1.067
assign ( resid 84 and name HG2#
)
( resid 102 and name HD1#
) 4.8 1.0 1.0 volume=0.808 peak=23 ppm1=1.100 ppm2=1.036
assign ( resid 170 and name HD1#
)
( resid 200 and name HD2#
) 4.5 0.9 0.9 volume=1.144 peak=24 ppm1=1.074 ppm2=0.834
assign ( resid 90 and name HD1#
)
( resid 163 and name HD2#
) 5.2 1.0 1.0 volume=0.507 peak=25 ppm1=1.115 ppm2=0.546
assign ( resid 141 and name HD2#
)
( resid 138 and name HG1#
) 5.2 1.0 1.0 volume=0.493 peak=26 ppm1=0.678 ppm2=0.421
assign ( resid 56 and name HD1#
)
( resid 53 and name HG1#
) 5.0 1.0 1.0 volume=0.607 peak=27 ppm1=1.300 ppm2=0.977
assign ( resid 70 and name HG2#
)
( resid 74 and name HD1#
) 4.2 0.8 0.8 volume=1.655 peak=28 ppm1=1.165 ppm2=0.713
assign ( resid 70 and name HG1#
)
( resid 70 and name HG2#
) 4.5 0.9 0.9 volume=1.132 peak=29 ppm1=1.407 ppm2=1.102
assign ( resid 211 and name HD1#
)
( resid 166 and name HD2#
) 4.4 0.9 0.9 volume=1.294 peak=30 ppm1=0.920 ppm2=1.080
Contact the webmaster for help, if required. Friday, May 10, 2024 7:00:07 AM GMT (wattos1)