NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
547968 |
2lpy   |
18282 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | simple |
assign ( resid 69 and name HG1
)
( resid 69 and name HB
) 2.9 0.6 0.6 volume=1.748 peak=346 ppm1=0.312 ppm2=3.610
assign ( resid 11 and name HB1
)
( resid 12 and name HG2#
) 4.3 0.9 0.9 volume=0.516 peak=157 ppm1=3.125 ppm2=1.153
assign ( resid 86 and name HD1#
)
( resid 85 and name HG
) 4.2 0.8 0.8 volume=0.586 peak=400 ppm1=0.809 ppm2=1.710
assign ( resid 53 and name HA
)
( resid 56 and name HB2
) 3.4 0.7 0.7 volume=0.684 peak=117 ppm1=4.143 ppm2=3.310
assign ( resid 74 and name HA
)
( resid 74 and name HG1
) 3.2 0.6 0.6 volume=1.044 peak=418 ppm1=4.388 ppm2=1.292
assign ( resid 51 and name HG11
)
( resid 53 and name HD1#
) 4.3 0.9 0.9 volume=0.531 peak=334 ppm1=1.252 ppm2=0.900
assign ( resid 53 and name HD1#
)
( resid 53 and name HN
) 4.8 2.0 1.0 volume=0.275 peak=544 ppm1=0.978 ppm2=8.805
assign ( resid 19 and name HA
)
( resid 21 and name HN
) 3.9 0.8 0.8 volume=0.314 peak=212 ppm1=3.791 ppm2=7.914
assign ( resid 19 and name HA
)
( resid 19 and name HN
) 3.5 0.7 0.7 volume=0.539 peak=479 ppm1=3.784 ppm2=8.174
assign ( resid 109 and name HA
)
( resid 110 and name HN
) 3.5 0.7 0.7 volume=0.561 peak=21 ppm1=4.041 ppm2=8.193
assign ( resid 84 and name HB2
)
( resid 85 and name HB2
) 4.3 0.9 0.9 volume=0.181 peak=413 ppm1=2.902 ppm2=1.788
assign ( resid 89 and name HA
)
( resid 89 and name HG
) 2.8 0.6 0.6 volume=2.236 peak=325 ppm1=3.917 ppm2=0.660
assign ( resid 90 and name HD1#
)
( resid 90 and name HA
) 3.6 1.7 0.7 volume=1.422 peak=470 ppm1=0.017 ppm2=3.303
assign ( resid 19 and name HD2#
)
( resid 85 and name HB2
) 3.2 0.6 1.6 volume=2.963 peak=498 ppm1=0.637 ppm2=1.829
assign ( resid 116 and name HB
)
( resid 116 and name HN
) 3.6 0.7 0.7 volume=0.477 peak=112 ppm1=4.166 ppm2=8.059
assign ( resid 43 and name HD1
)
( resid 43 and name HA
) 3.9 0.8 0.8 volume=0.298 peak=219 ppm1=3.904 ppm2=4.322
assign ( resid 101 and name HB#
)
( resid 102 and name HN
) 3.7 0.7 0.7 volume=1.231 peak=351 ppm1=1.409 ppm2=7.570
assign ( resid 69 and name HB
)
( resid 69 and name HA
) 3.2 0.6 0.6 volume=1.013 peak=91 ppm1=3.604 ppm2=3.843
assign ( resid 31 and name HG
)
( resid 12 and name HA
) 3.9 0.8 1.8 volume=0.316 peak=488 ppm1=0.599 ppm2=3.198
assign ( resid 97 and name HA
)
( resid 97 and name HB1
) 2.7 0.5 0.5 volume=2.502 peak=106 ppm1=4.321 ppm2=2.417
assign ( resid 31 and name HA
)
( resid 33 and name HN
) 4.6 0.9 0.9 volume=0.119 peak=260 ppm1=3.477 ppm2=7.277
assign ( resid 97 and name HA
)
( resid 98 and name HA
) 3.8 0.8 0.8 volume=0.369 peak=525 ppm1=4.317 ppm2=3.923
assign ( resid 38 and name HA
)
( resid 42 and name HN
) 4.0 0.8 0.8 volume=0.265 peak=169 ppm1=3.086 ppm2=7.208
assign ( resid 14 and name HB1
)
( resid 14 and name HG2
) 3.4 0.7 0.7 volume=0.707 peak=253 ppm1=2.202 ppm2=2.543
assign ( resid 35 and name HA
)
( resid 12 and name HG2#
) 4.6 0.9 0.9 volume=0.362 peak=10 ppm1=3.805 ppm2=1.116
assign ( resid 46 and name HD2
)
( resid 43 and name HA
) 3.2 0.6 1.9 volume=1.046 peak=361 ppm1=3.366 ppm2=4.248
assign ( resid 69 and name HG1
)
( resid 69 and name HN
) 3.8 0.8 0.8 volume=0.382 peak=422 ppm1=0.310 ppm2=7.949
assign ( resid 80 and name HB1
)
( resid 80 and name HN
) 3.2 0.6 0.6 volume=0.913 peak=491 ppm1=2.982 ppm2=7.280
assign ( resid 90 and name HD1#
)
( resid 52 and name HA
) 4.7 0.9 0.9 volume=0.296 peak=124 ppm1=0.019 ppm2=4.697
assign ( resid 86 and name HG11
)
( resid 86 and name HG2#
) 4.7 2.9 0.9 volume=0.313 peak=514 ppm1=1.423 ppm2=-0.489
assign ( resid 12 and name HG2#
)
( resid 12 and name HG1#
) 4.1 2.8 0.8 volume=2.010 peak=87 ppm1=1.130 ppm2=0.652
assign ( resid 77 and name HA
)
( resid 80 and name HN
) 3.3 0.7 0.7 volume=0.792 peak=336 ppm1=3.915 ppm2=7.276
assign ( resid 9 and name HB2
)
( resid 9 and name HN
) 3.1 0.6 0.6 volume=1.231 peak=372 ppm1=1.978 ppm2=7.695
assign ( resid 75 and name HA
)
( resid 77 and name HG2#
) 4.4 0.9 0.9 volume=0.469 peak=170 ppm1=4.435 ppm2=1.139
assign ( resid 35 and name HA
)
( resid 12 and name HG1#
) 4.6 0.9 0.9 volume=0.335 peak=102 ppm1=3.795 ppm2=0.587
assign ( resid 85 and name HG
)
( resid 85 and name HN
) 3.4 0.7 0.7 volume=0.706 peak=313 ppm1=1.741 ppm2=7.752
assign ( resid 89 and name HA
)
( resid 88 and name HN
) 3.3 0.7 1.7 volume=0.837 peak=467 ppm1=3.912 ppm2=7.710
assign ( resid 9 and name HA
)
( resid 12 and name HG2#
) 4.3 0.9 0.9 volume=0.505 peak=195 ppm1=3.966 ppm2=1.130
assign ( resid 26 and name HB
)
( resid 26 and name HG2#
) 3.6 1.7 0.7 volume=1.549 peak=393 ppm1=1.819 ppm2=0.724
assign ( resid 95 and name HB
)
( resid 90 and name HA
) 3.9 0.8 0.8 volume=0.323 peak=508 ppm1=2.068 ppm2=3.254
assign ( resid 76 and name HD2
)
( resid 75 and name HG2#
) 5.0 3.0 1.0 volume=0.204 peak=547 ppm1=2.723 ppm2=0.514
assign ( resid 102 and name HB#
)
( resid 99 and name HA
) 3.9 0.8 0.8 volume=0.983 peak=333 ppm1=1.308 ppm2=3.445
assign ( resid 89 and name HB2
)
( resid 85 and name HG
) 2.9 0.6 0.6 volume=1.957 peak=483 ppm1=1.204 ppm2=1.748
assign ( resid 101 and name HA
)
( resid 104 and name HB#
) 3.3 0.7 0.7 volume=2.679 peak=92 ppm1=4.221 ppm2=1.430
assign ( resid 72 and name HG1
)
( resid 72 and name HB1
) 2.6 0.5 0.5 volume=3.472 peak=428 ppm1=2.033 ppm2=2.414
assign ( resid 38 and name HA
)
( resid 38 and name HN
) 3.7 0.7 0.7 volume=0.423 peak=233 ppm1=3.085 ppm2=8.431
assign ( resid 50 and name HA
)
( resid 48 and name HG2
) 3.9 0.8 1.6 volume=0.289 peak=487 ppm1=4.256 ppm2=2.570
assign ( resid 31 and name HA
)
( resid 31 and name HD1#
) 3.9 0.8 0.8 volume=0.876 peak=553 ppm1=3.485 ppm2=0.574
assign ( resid 90 and name HD1#
)
( resid 52 and name HN
) 4.8 1.0 1.0 volume=0.264 peak=432 ppm1=0.023 ppm2=7.170
assign ( resid 116 and name HA
)
( resid 116 and name HN
) 3.6 0.7 0.7 volume=0.535 peak=294 ppm1=4.233 ppm2=8.074
assign ( resid 51 and name HD1#
)
( resid 86 and name HD1#
) 3.8 0.8 0.8 volume=3.438 peak=115 ppm1=0.619 ppm2=0.868
assign ( resid 21 and name HA
)
( resid 23 and name HN
) 3.5 0.7 0.7 volume=0.636 peak=248 ppm1=4.118 ppm2=7.835
assign ( resid 53 and name HA
)
( resid 53 and name HG11
) 3.4 0.7 0.7 volume=0.665 peak=519 ppm1=4.147 ppm2=1.575
assign ( resid 51 and name HB
)
( resid 51 and name HA
) 4.1 0.8 0.8 volume=0.238 peak=185 ppm1=1.998 ppm2=4.091
assign ( resid 86 and name HA
)
( resid 89 and name HD1#
) 4.4 0.9 0.9 volume=0.428 peak=94 ppm1=3.464 ppm2=0.610
assign ( resid 90 and name HG2#
)
( resid 51 and name HG11
) 3.6 0.7 1.7 volume=1.554 peak=536 ppm1=0.612 ppm2=1.289
assign ( resid 9 and name HA
)
( resid 10 and name HN
) 3.4 0.7 0.7 volume=0.727 peak=431 ppm1=3.968 ppm2=8.921
assign ( resid 35 and name HB1
)
( resid 36 and name HN
) 4.1 1.8 0.8 volume=0.237 peak=251 ppm1=2.880 ppm2=8.312
assign ( resid 97 and name HA
)
( resid 99 and name HN
) 3.9 0.8 0.8 volume=0.314 peak=434 ppm1=4.321 ppm2=7.920
assign ( resid 26 and name HB
)
( resid 27 and name HN
) 4.1 0.8 0.8 volume=0.236 peak=341 ppm1=1.835 ppm2=8.637
assign ( resid 77 and name HA
)
( resid 79 and name HN
) 4.1 0.8 0.8 volume=0.211 peak=373 ppm1=3.916 ppm2=7.827
assign ( resid 117 and name HB2
)
( resid 110 and name HB2
) 3.9 0.8 0.8 volume=0.307 peak=177 ppm1=2.703 ppm2=1.598
assign ( resid 51 and name HB
)
( resid 86 and name HD1#
) 4.1 0.8 0.8 volume=0.644 peak=237 ppm1=1.978 ppm2=0.880
assign ( resid 53 and name HD1#
)
( resid 83 and name HA
) 4.3 0.9 0.9 volume=0.510 peak=139 ppm1=0.982 ppm2=4.426
assign ( resid 16 and name HA
)
( resid 19 and name HG
) 3.4 0.7 1.7 volume=0.743 peak=484 ppm1=3.735 ppm2=0.730
assign ( resid 53 and name HD1#
)
( resid 53 and name HG11
) 3.0 0.6 0.6 volume=4.280 peak=259 ppm1=0.982 ppm2=1.564
assign ( resid 90 and name HG2#
)
( resid 90 and name HA
) 3.6 1.7 0.7 volume=1.421 peak=255 ppm1=0.619 ppm2=4.131
assign ( resid 72 and name HD2
)
( resid 72 and name HG1
) 2.8 0.6 0.6 volume=2.445 peak=127 ppm1=3.287 ppm2=2.070
assign ( resid 53 and name HA
)
( resid 51 and name HG2#
) 4.4 0.9 0.9 volume=0.466 peak=438 ppm1=4.148 ppm2=0.595
assign ( resid 90 and name HB
)
( resid 53 and name HD1#
) 5.0 3.0 1.0 volume=0.202 peak=59 ppm1=1.631 ppm2=0.951
assign ( resid 26 and name HB
)
( resid 26 and name HN
) 3.6 0.7 0.7 volume=0.474 peak=478 ppm1=1.815 ppm2=7.557
assign ( resid 21 and name HG2#
)
( resid 19 and name HG
) 5.2 1.0 1.0 volume=0.165 peak=516 ppm1=1.347 ppm2=0.757
assign ( resid 90 and name HG2#
)
( resid 53 and name HN
) 4.4 0.9 0.9 volume=0.463 peak=357 ppm1=0.606 ppm2=8.787
assign ( resid 69 and name HB
)
( resid 69 and name HG1
) 3.1 0.6 0.6 volume=1.294 peak=384 ppm1=3.601 ppm2=0.312
assign ( resid 90 and name HD1#
)
( resid 90 and name HB
) 4.6 2.9 0.9 volume=0.344 peak=402 ppm1=0.017 ppm2=1.976
assign ( resid 97 and name HG2
)
( resid 97 and name HA
) 3.5 0.7 1.7 volume=0.595 peak=262 ppm1=2.070 ppm2=4.316
assign ( resid 33 and name HA
)
( resid 33 and name HB2
) 2.9 0.6 0.6 volume=1.872 peak=103 ppm1=4.214 ppm2=1.903
assign ( resid 99 and name HA
)
( resid 99 and name HG1#
) 3.6 1.7 0.7 volume=1.571 peak=550 ppm1=3.437 ppm2=0.848
assign ( resid 53 and name HD1#
)
( resid 52 and name HB1
) 4.4 0.9 0.9 volume=0.428 peak=159 ppm1=0.987 ppm2=2.728
assign ( resid 12 and name HG2#
)
( resid 11 and name HA
) 3.7 0.7 1.7 volume=1.357 peak=497 ppm1=1.131 ppm2=4.121
assign ( resid 69 and name HA
)
( resid 69 and name HN
) 3.6 0.7 0.7 volume=0.511 peak=474 ppm1=3.866 ppm2=7.958
assign ( resid 69 and name HB
)
( resid 70 and name HN
) 3.6 0.7 0.7 volume=0.514 peak=309 ppm1=3.601 ppm2=8.587
assign ( resid 86 and name HG2#
)
( resid 86 and name HD1#
) 4.0 2.8 0.8 volume=2.508 peak=353 ppm1=-0.496 ppm2=0.825
assign ( resid 50 and name HB
)
( resid 50 and name HN
) 3.8 0.8 0.8 volume=0.381 peak=534 ppm1=3.503 ppm2=7.601
assign ( resid 97 and name HA
)
( resid 98 and name HN
) 3.7 0.7 0.7 volume=0.428 peak=132 ppm1=4.320 ppm2=8.312
assign ( resid 102 and name HA
)
( resid 102 and name HN
) 3.4 0.7 0.7 volume=0.744 peak=165 ppm1=4.004 ppm2=7.599
assign ( resid 90 and name HG12
)
( resid 89 and name HN
) 4.7 0.9 0.9 volume=0.103 peak=107 ppm1=1.609 ppm2=7.459
assign ( resid 29 and name HA
)
( resid 32 and name HG
) 3.4 0.7 0.7 volume=0.685 peak=421 ppm1=3.705 ppm2=0.816
assign ( resid 31 and name HA
)
( resid 31 and name HN
) 3.9 0.8 0.8 volume=0.311 peak=228 ppm1=3.487 ppm2=7.532
assign ( resid 59 and name HG1#
)
( resid 59 and name HA
) 3.8 0.8 0.8 volume=1.043 peak=93 ppm1=-0.418 ppm2=3.668
assign ( resid 86 and name HA
)
( resid 86 and name HG2#
) 4.4 2.9 0.9 volume=0.471 peak=446 ppm1=3.462 ppm2=-0.495
assign ( resid 97 and name HD1
)
( resid 97 and name HA
) 3.8 0.8 0.8 volume=0.341 peak=136 ppm1=3.686 ppm2=4.295
assign ( resid 14 and name HB1
)
( resid 14 and name HA
) 3.8 0.8 0.8 volume=0.339 peak=242 ppm1=2.205 ppm2=3.653
assign ( resid 26 and name HB
)
( resid 16 and name HG1
) 4.2 0.8 0.8 volume=0.187 peak=420 ppm1=1.820 ppm2=1.402
assign ( resid 77 and name HG2#
)
( resid 77 and name HN
) 3.4 0.7 0.7 volume=2.252 peak=34 ppm1=1.055 ppm2=8.603
assign ( resid 18 and name HA
)
( resid 19 and name HN
) 3.6 0.7 0.7 volume=0.523 peak=11 ppm1=3.800 ppm2=8.109
assign ( resid 90 and name HG12
)
( resid 51 and name HG11
) 3.8 0.8 0.8 volume=0.366 peak=202 ppm1=1.619 ppm2=1.340
assign ( resid 33 and name HA
)
( resid 37 and name HB2
) 3.2 0.6 1.6 volume=0.944 peak=329 ppm1=4.216 ppm2=2.754
assign ( resid 77 and name HG2#
)
( resid 77 and name HA
) 3.3 0.7 0.7 volume=2.520 peak=403 ppm1=1.053 ppm2=3.915
assign ( resid 39 and name HA
)
( resid 40 and name HN
) 4.2 0.8 0.8 volume=0.184 peak=427 ppm1=3.469 ppm2=8.061
assign ( resid 51 and name HB
)
( resid 51 and name HD1#
) 3.9 1.8 0.8 volume=0.891 peak=48 ppm1=1.984 ppm2=0.627
assign ( resid 15 and name HG
)
( resid 15 and name HA
) 3.8 2.8 0.8 volume=0.376 peak=201 ppm1=0.718 ppm2=3.875
assign ( resid 86 and name HG2#
)
( resid 87 and name HA
) 4.8 3.0 1.0 volume=0.253 peak=146 ppm1=-0.500 ppm2=3.215
assign ( resid 85 and name HG
)
( resid 85 and name HA
) 3.3 0.7 0.7 volume=0.792 peak=147 ppm1=1.741 ppm2=4.076
assign ( resid 29 and name HA
)
( resid 29 and name HB#
) 3.4 1.7 0.7 volume=1.953 peak=210 ppm1=3.709 ppm2=1.243
assign ( resid 95 and name HB
)
( resid 90 and name HG2#
) 4.3 0.9 0.9 volume=0.486 peak=282 ppm1=2.061 ppm2=0.642
assign ( resid 12 and name HG1#
)
( resid 12 and name HB
) 3.4 1.7 0.7 volume=2.042 peak=114 ppm1=0.641 ppm2=2.072
assign ( resid 59 and name HB
)
( resid 59 and name HG1#
) 4.3 2.9 0.9 volume=0.503 peak=518 ppm1=1.481 ppm2=-0.427
assign ( resid 38 and name HG1#
)
( resid 38 and name HG2#
) 3.6 1.7 0.7 volume=4.297 peak=36 ppm1=0.508 ppm2=0.724
assign ( resid 39 and name HG2
)
( resid 39 and name HE1
) 2.9 0.6 0.6 volume=1.685 peak=510 ppm1=1.383 ppm2=2.953
assign ( resid 110 and name HA
)
( resid 111 and name HN
) 3.4 0.7 0.7 volume=0.647 peak=476 ppm1=4.285 ppm2=8.211
assign ( resid 109 and name HB
)
( resid 109 and name HG2#
) 4.9 3.0 1.0 volume=0.246 peak=320 ppm1=1.806 ppm2=0.847
assign ( resid 110 and name HG
)
( resid 109 and name HG11
) 3.0 0.6 0.6 volume=1.344 peak=204 ppm1=1.453 ppm2=1.086
assign ( resid 59 and name HG1#
)
( resid 38 and name HA
) 4.6 0.9 0.9 volume=0.350 peak=25 ppm1=-0.418 ppm2=3.117
assign ( resid 51 and name HD1#
)
( resid 52 and name HN
) 3.9 0.8 0.8 volume=0.960 peak=490 ppm1=0.626 ppm2=7.164
assign ( resid 38 and name HG2#
)
( resid 38 and name HG1#
) 4.3 2.9 0.9 volume=1.447 peak=405 ppm1=0.692 ppm2=0.489
assign ( resid 87 and name HA
)
( resid 87 and name HN
) 3.7 0.7 0.7 volume=0.441 peak=410 ppm1=3.225 ppm2=7.861
assign ( resid 102 and name HB#
)
( resid 99 and name HB
) 3.6 0.7 1.7 volume=1.405 peak=447 ppm1=1.305 ppm2=2.170
assign ( resid 85 and name HB2
)
( resid 89 and name HB2
) 3.0 0.6 2.6 volume=1.374 peak=232 ppm1=1.760 ppm2=1.217
assign ( resid 72 and name HG1
)
( resid 68 and name HA
) 3.3 0.7 0.7 volume=0.791 peak=176 ppm1=2.027 ppm2=4.324
assign ( resid 53 and name HG2#
)
( resid 87 and name HA
) 4.2 0.8 0.8 volume=0.625 peak=412 ppm1=1.055 ppm2=3.318
assign ( resid 77 and name HB
)
( resid 77 and name HN
) 3.2 0.6 0.6 volume=1.078 peak=120 ppm1=2.217 ppm2=8.588
assign ( resid 86 and name HA
)
( resid 86 and name HB
) 3.9 0.8 0.8 volume=0.304 peak=376 ppm1=3.463 ppm2=1.973
assign ( resid 74 and name HB1
)
( resid 74 and name HN
) 3.5 0.7 0.7 volume=0.599 peak=49 ppm1=1.606 ppm2=7.495
assign ( resid 21 and name HG2#
)
( resid 21 and name HB
) 3.2 0.6 0.6 volume=2.803 peak=46 ppm1=1.357 ppm2=4.192
assign ( resid 15 and name HD1#
)
( resid 14 and name HB1
) 5.1 1.0 1.0 volume=0.191 peak=217 ppm1=0.342 ppm2=2.103
assign ( resid 14 and name HB1
)
( resid 11 and name HA
) 3.1 0.6 1.6 volume=1.184 peak=172 ppm1=2.189 ppm2=4.181
assign ( resid 59 and name HB
)
( resid 59 and name HG2#
) 4.2 2.8 0.8 volume=0.591 peak=126 ppm1=1.483 ppm2=0.441
assign ( resid 15 and name HG
)
( resid 11 and name HA
) 4.2 0.8 1.8 volume=0.185 peak=131 ppm1=0.711 ppm2=4.194
assign ( resid 95 and name HB
)
( resid 98 and name HG2
) 2.6 0.5 1.5 volume=3.663 peak=529 ppm1=2.068 ppm2=2.455
assign ( resid 16 and name HB2
)
( resid 16 and name HG1
) 2.6 0.5 0.5 volume=3.612 peak=27 ppm1=1.767 ppm2=1.366
assign ( resid 12 and name HA
)
( resid 12 and name HN
) 3.7 0.7 0.7 volume=0.420 peak=292 ppm1=3.107 ppm2=8.079
assign ( resid 118 and name HB2
)
( resid 118 and name HG
) 3.1 0.6 0.6 volume=1.144 peak=193 ppm1=1.576 ppm2=0.805
assign ( resid 90 and name HG12
)
( resid 90 and name HA
) 3.9 2.8 0.8 volume=0.319 peak=154 ppm1=1.620 ppm2=3.291
assign ( resid 59 and name HA
)
( resid 58 and name HA
) 4.6 0.9 0.9 volume=0.108 peak=256 ppm1=3.673 ppm2=4.189
assign ( resid 78 and name HB
)
( resid 78 and name HN
) 4.3 0.9 0.9 volume=0.168 peak=288 ppm1=3.869 ppm2=7.377
assign ( resid 110 and name HG
)
( resid 108 and name HB1
) 2.8 0.6 0.6 volume=2.296 peak=31 ppm1=1.464 ppm2=1.868
assign ( resid 69 and name HB
)
( resid 69 and name HN
) 3.4 0.7 0.7 volume=0.709 peak=246 ppm1=3.596 ppm2=7.951
assign ( resid 59 and name HA
)
( resid 59 and name HN
) 3.7 0.7 0.7 volume=0.421 peak=198 ppm1=3.674 ppm2=7.830
assign ( resid 102 and name HB#
)
( resid 102 and name HA
) 3.4 1.7 0.7 volume=2.239 peak=71 ppm1=1.304 ppm2=3.999
assign ( resid 29 and name HA
)
( resid 30 and name HN
) 3.8 0.8 0.8 volume=0.352 peak=44 ppm1=3.711 ppm2=6.934
assign ( resid 31 and name HG
)
( resid 30 and name HA
) 4.1 0.8 1.8 volume=0.232 peak=396 ppm1=0.603 ppm2=4.381
assign ( resid 51 and name HD1#
)
( resid 90 and name HB
) 3.4 0.7 1.7 volume=1.979 peak=64 ppm1=0.622 ppm2=1.956
assign ( resid 86 and name HA
)
( resid 86 and name HN
) 3.9 0.8 0.8 volume=0.283 peak=258 ppm1=3.463 ppm2=7.939
assign ( resid 47 and name HA
)
( resid 48 and name HN
) 3.2 0.6 0.6 volume=1.070 peak=319 ppm1=3.936 ppm2=7.682
assign ( resid 76 and name HD2
)
( resid 78 and name HG2#
) 5.3 1.1 1.1 volume=0.142 peak=533 ppm1=2.722 ppm2=1.103
assign ( resid 97 and name HD1
)
( resid 96 and name HN
) 4.3 0.9 0.9 volume=0.181 peak=517 ppm1=3.674 ppm2=7.516
assign ( resid 53 and name HG2#
)
( resid 53 and name HG11
) 3.1 0.6 0.6 volume=3.671 peak=38 ppm1=1.054 ppm2=1.565
assign ( resid 77 and name HB
)
( resid 77 and name HG2#
) 3.4 1.7 0.7 volume=2.173 peak=241 ppm1=2.213 ppm2=1.060
assign ( resid 89 and name HD1#
)
( resid 89 and name HA
) 3.4 1.7 0.7 volume=2.225 peak=394 ppm1=0.619 ppm2=3.893
assign ( resid 9 and name HA
)
( resid 12 and name HN
) 3.8 0.8 0.8 volume=0.338 peak=385 ppm1=3.963 ppm2=8.164
assign ( resid 5 and name HG
)
( resid 5 and name HA
) 3.7 1.7 0.7 volume=0.441 peak=377 ppm1=1.011 ppm2=3.731
assign ( resid 53 and name HD1#
)
( resid 90 and name HA
) 3.8 0.8 1.8 volume=1.091 peak=223 ppm1=0.982 ppm2=3.279
assign ( resid 102 and name HA
)
( resid 103 and name HG2#
) 3.6 0.7 1.7 volume=1.605 peak=79 ppm1=4.001 ppm2=0.809
assign ( resid 111 and name HB1
)
( resid 108 and name HN
) 3.1 0.6 0.6 volume=1.149 peak=383 ppm1=1.778 ppm2=8.361
assign ( resid 51 and name HD1#
)
( resid 51 and name HB
) 3.8 0.8 0.8 volume=1.013 peak=18 ppm1=0.620 ppm2=1.970
assign ( resid 51 and name HD1#
)
( resid 89 and name HB2
) 3.5 0.7 0.7 volume=1.858 peak=537 ppm1=0.624 ppm2=1.200
assign ( resid 53 and name HG11
)
( resid 53 and name HA
) 3.3 0.7 0.7 volume=0.816 peak=26 ppm1=1.563 ppm2=4.141
assign ( resid 53 and name HG11
)
( resid 53 and name HN
) 3.6 0.7 0.7 volume=0.497 peak=285 ppm1=1.564 ppm2=8.781
assign ( resid 19 and name HD2#
)
( resid 19 and name HA
) 3.3 0.7 0.7 volume=2.556 peak=58 ppm1=0.634 ppm2=3.802
#assign ( resid 18 and name HA
# )
# ( resid 19 and name HB2
# ) 3.8 0.8 1.8 volume=0.373 peak=279 ppm1=3.796 ppm2=1.789
assign ( resid 89 and name HB2
)
( resid 86 and name HG11
) 3.8 0.8 0.8 volume=0.341 peak=293 ppm1=1.201 ppm2=1.492
assign ( resid 89 and name HB2
)
( resid 89 and name HG
) 3.1 0.6 0.6 volume=1.147 peak=503 ppm1=1.204 ppm2=0.636
assign ( resid 72 and name HD2
)
( resid 75 and name HG2#
) 4.8 1.0 1.0 volume=0.261 peak=78 ppm1=3.274 ppm2=0.512
assign ( resid 76 and name HD2
)
( resid 76 and name HB1
) 4.3 0.9 0.9 volume=0.182 peak=35 ppm1=2.722 ppm2=2.235
assign ( resid 19 and name HA
)
( resid 18 and name HB#
) 3.9 0.8 0.8 volume=0.862 peak=14 ppm1=3.782 ppm2=1.431
assign ( resid 61 and name HB2
)
( resid 61 and name HA
) 3.1 0.6 0.6 volume=1.186 peak=19 ppm1=2.685 ppm2=4.258
assign ( resid 31 and name HA
)
( resid 12 and name HG2#
) 4.6 0.9 0.9 volume=0.341 peak=12 ppm1=3.483 ppm2=1.086
assign ( resid 79 and name HA
)
( resid 79 and name HN
) 3.5 0.7 0.7 volume=0.623 peak=5 ppm1=4.002 ppm2=7.817
assign ( resid 21 and name HB
)
( resid 23 and name HN
) 3.6 0.7 1.7 volume=0.517 peak=167 ppm1=4.221 ppm2=7.822
assign ( resid 90 and name HG2#
)
( resid 90 and name HG12
) 3.3 0.7 0.7 volume=2.710 peak=268 ppm1=0.604 ppm2=1.617
assign ( resid 89 and name HA
)
( resid 89 and name HN
) 3.4 0.7 0.7 volume=0.717 peak=247 ppm1=3.910 ppm2=7.451
assign ( resid 59 and name HG2#
)
( resid 38 and name HG2#
) 4.5 0.9 0.9 volume=1.132 peak=453 ppm1=0.439 ppm2=0.711
assign ( resid 31 and name HD1#
)
( resid 32 and name HG
) 3.0 0.6 1.6 volume=4.455 peak=380 ppm1=0.554 ppm2=0.792
assign ( resid 12 and name HG1#
)
( resid 12 and name HG2#
) 4.0 2.8 0.8 volume=2.469 peak=471 ppm1=0.640 ppm2=1.122
assign ( resid 53 and name HD1#
)
( resid 51 and name HG11
) 3.8 0.8 1.8 volume=1.009 peak=535 ppm1=0.977 ppm2=1.266
assign ( resid 14 and name HG2
)
( resid 11 and name HA
) 4.3 0.9 0.9 volume=0.167 peak=461 ppm1=2.559 ppm2=4.213
assign ( resid 50 and name HB
)
( resid 50 and name HG2#
) 3.9 2.8 0.8 volume=0.850 peak=122 ppm1=3.506 ppm2=1.048
assign ( resid 16 and name HB2
)
( resid 26 and name HG1#
) 4.2 0.8 0.8 volume=0.616 peak=43 ppm1=1.716 ppm2=0.787
assign ( resid 78 and name HG2#
)
( resid 78 and name HA
) 3.1 0.6 0.6 volume=3.857 peak=299 ppm1=1.124 ppm2=3.902
assign ( resid 59 and name HG2#
)
( resid 59 and name HG1#
) 4.2 2.8 0.8 volume=1.700 peak=197 ppm1=0.441 ppm2=-0.409
assign ( resid 98 and name HA
)
( resid 99 and name HG2#
) 4.1 0.8 0.8 volume=0.699 peak=209 ppm1=3.954 ppm2=0.793
assign ( resid 89 and name HA
)
( resid 85 and name HG
) 3.0 0.6 2.6 volume=1.524 peak=301 ppm1=3.907 ppm2=1.768
assign ( resid 97 and name HD1
)
( resid 97 and name HB1
) 3.8 0.8 0.8 volume=0.347 peak=509 ppm1=3.677 ppm2=2.406
assign ( resid 89 and name HB2
)
( resid 89 and name HA
) 3.6 0.7 0.7 volume=0.515 peak=227 ppm1=1.203 ppm2=3.910
assign ( resid 111 and name HG1
)
( resid 115 and name HB2
) 3.2 0.6 1.6 volume=0.947 peak=349 ppm1=1.355 ppm2=2.090
assign ( resid 90 and name HG12
)
( resid 90 and name HB
) 2.9 0.6 0.6 volume=1.807 peak=184 ppm1=1.625 ppm2=2.026
assign ( resid 69 and name HG1
)
( resid 69 and name HA
) 3.0 0.6 0.6 volume=1.600 peak=57 ppm1=0.312 ppm2=3.868
assign ( resid 88 and name HB1
)
( resid 85 and name HA
) 2.6 0.5 1.5 volume=3.220 peak=37 ppm1=1.992 ppm2=4.053
assign ( resid 85 and name HG
)
( resid 86 and name HD1#
) 3.6 0.7 1.7 volume=1.507 peak=263 ppm1=1.742 ppm2=0.807
assign ( resid 5 and name HA
)
( resid 6 and name HN
) 4.1 0.8 0.8 volume=0.233 peak=512 ppm1=3.709 ppm2=8.328
assign ( resid 39 and name HA
)
( resid 38 and name HG1#
) 4.9 1.0 1.0 volume=0.227 peak=192 ppm1=3.470 ppm2=0.522
assign ( resid 32 and name HB2
)
( resid 32 and name HG
) 3.2 0.6 0.6 volume=0.929 peak=151 ppm1=1.295 ppm2=0.810
assign ( resid 90 and name HD1#
)
( resid 51 and name HG11
) 3.6 0.7 0.7 volume=1.519 peak=158 ppm1=0.017 ppm2=1.317
assign ( resid 86 and name HD1#
)
( resid 53 and name HG2#
) 5.2 1.0 1.0 volume=0.495 peak=24 ppm1=0.809 ppm2=1.042
assign ( resid 53 and name HB
)
( resid 53 and name HD1#
) 3.6 0.7 0.7 volume=1.541 peak=523 ppm1=1.934 ppm2=1.029
assign ( resid 38 and name HG1#
)
( resid 59 and name HB
) 4.5 0.9 0.9 volume=0.377 peak=186 ppm1=0.510 ppm2=1.443
assign ( resid 76 and name HD2
)
( resid 75 and name HN
) 5.0 1.0 1.0 volume=0.071 peak=130 ppm1=2.711 ppm2=7.365
assign ( resid 102 and name HB#
)
( resid 102 and name HN
) 3.5 1.7 0.7 volume=1.704 peak=216 ppm1=1.304 ppm2=7.557
assign ( resid 75 and name HB
)
( resid 77 and name HA
) 3.3 0.7 2.7 volume=0.783 peak=415 ppm1=2.164 ppm2=3.945
assign ( resid 53 and name HD1#
)
( resid 53 and name HA
) 3.5 1.7 0.7 volume=1.899 peak=352 ppm1=0.981 ppm2=4.153
assign ( resid 50 and name HG2#
)
( resid 51 and name HA
) 3.1 0.6 0.6 volume=3.655 peak=187 ppm1=1.141 ppm2=4.175
assign ( resid 86 and name HD1#
)
( resid 86 and name HB
) 3.6 2.7 0.7 volume=1.546 peak=287 ppm1=0.810 ppm2=1.957
assign ( resid 86 and name HG2#
)
( resid 89 and name HN
) 4.4 0.9 0.9 volume=0.466 peak=271 ppm1=-0.497 ppm2=7.426
assign ( resid 53 and name HG11
)
( resid 53 and name HD1#
) 3.3 0.7 0.7 volume=2.667 peak=482 ppm1=1.559 ppm2=1.013
assign ( resid 85 and name HG
)
( resid 89 and name Hn
) 3.3 0.7 0.7 volume=2.667 peak=482 ppm1=1.559 ppm2=1.013
assign ( resid 45 and name HA
)
( resid 45 and name HN
) 3.6 1.7 0.7 volume=0.471 peak=442 ppm1=4.035 ppm2=7.289
assign ( resid 86 and name HD1#
)
( resid 87 and name HN
) 4.3 0.9 0.9 volume=0.497 peak=267 ppm1=0.813 ppm2=7.955
assign ( resid 18 and name HB#
)
( resid 19 and name HN
) 3.3 0.7 0.7 volume=2.320 peak=354 ppm1=1.344 ppm2=8.128
assign ( resid 32 and name HA
)
( resid 32 and name HB2
) 3.5 0.7 0.7 volume=0.558 peak=83 ppm1=3.605 ppm2=1.326
assign ( resid 65 and name HB1
)
( resid 65 and name HA
) 2.9 0.6 0.6 volume=1.866 peak=459 ppm1=2.797 ppm2=4.486
assign ( resid 118 and name HA
)
( resid 119 and name HN
) 3.0 0.6 0.6 volume=1.523 peak=539 ppm1=4.148 ppm2=8.120
assign ( resid 116 and name HA
)
( resid 117 and name HN
) 3.1 0.6 0.6 volume=1.125 peak=89 ppm1=4.225 ppm2=8.290
assign ( resid 64 and name HB1
)
( resid 64 and name HN
) 3.0 0.6 0.6 volume=1.538 peak=116 ppm1=2.205 ppm2=8.243
assign ( resid 88 and name HB1
)
( resid 87 and name HB2
) 3.3 0.7 2.7 volume=0.823 peak=496 ppm1=2.064 ppm2=0.824
assign ( resid 110 and name HG
)
( resid 110 and name HN
) 3.5 0.7 0.7 volume=0.574 peak=140 ppm1=1.455 ppm2=8.171
assign ( resid 15 and name HG
)
( resid 86 and name HG11
) 3.3 0.7 1.7 volume=0.818 peak=68 ppm1=0.726 ppm2=1.472
assign ( resid 84 and name HB2
)
( resid 84 and name HA
) 3.3 0.7 0.7 volume=0.857 peak=33 ppm1=2.908 ppm2=4.244
assign ( resid 26 and name HB
)
( resid 26 and name HA
) 3.5 0.7 0.7 volume=0.549 peak=143 ppm1=1.818 ppm2=4.153
assign ( resid 59 and name HG2#
)
( resid 60 and name HA1
) 5.3 1.1 1.1 volume=0.146 peak=435 ppm1=0.447 ppm2=4.312
assign ( resid 77 and name HA
)
( resid 77 and name HN
) 3.4 0.7 0.7 volume=0.689 peak=338 ppm1=3.915 ppm2=8.607
assign ( resid 16 and name HA
)
( resid 16 and name HG1
) 3.3 0.7 0.7 volume=0.851 peak=4 ppm1=3.737 ppm2=1.366
assign ( resid 89 and name HB2
)
( resid 86 and name HD1#
) 4.3 0.9 0.9 volume=0.483 peak=245 ppm1=1.204 ppm2=0.868
assign ( resid 85 and name HB2
)
( resid 86 and name HA
) 3.9 0.8 1.8 volume=0.296 peak=250 ppm1=1.757 ppm2=3.449
assign ( resid 102 and name HB#
)
( resid 103 and name HG2#
) 4.3 0.9 0.9 volume=1.525 peak=234 ppm1=1.306 ppm2=0.862
assign ( resid 65 and name HB1
)
( resid 64 and name HA
) 3.3 0.7 2.7 volume=0.910 peak=466 ppm1=2.804 ppm2=4.215
assign ( resid 90 and name HD1#
)
( resid 90 and name HG12
) 3.7 1.7 0.7 volume=1.209 peak=97 ppm1=0.018 ppm2=1.611
assign ( resid 108 and name HG1
)
( resid 110 and name HN
) 3.9 0.8 0.8 volume=0.294 peak=315 ppm1=2.156 ppm2=8.168
assign ( resid 77 and name HB
)
( resid 79 and name HB#
) 3.8 0.8 1.8 volume=1.053 peak=463 ppm1=2.219 ppm2=0.909
assign ( resid 99 and name HB
)
( resid 99 and name HA
) 3.6 0.7 0.7 volume=0.479 peak=229 ppm1=2.126 ppm2=3.433
assign ( resid 18 and name HA
)
( resid 17 and name HN
) 4.0 0.8 1.8 volume=0.255 peak=96 ppm1=3.801 ppm2=7.858
assign ( resid 72 and name HD2
)
( resid 75 and name HN
) 4.0 0.8 1.8 volume=0.265 peak=500 ppm1=3.278 ppm2=7.335
assign ( resid 38 and name HG1#
)
( resid 59 and name HG1#
) 5.1 2.0 1.0 volume=0.534 peak=162 ppm1=0.508 ppm2=-0.415
assign ( resid 16 and name HD1
)
( resid 30 and name HA
) 3.2 0.6 2.0 volume=0.988 peak=211 ppm1=1.700 ppm2=4.376
assign ( resid 12 and name HG2#
)
( resid 12 and name HN
) 3.7 1.7 0.7 volume=1.203 peak=109 ppm1=1.132 ppm2=8.087
assign ( resid 43 and name HG2
)
( resid 43 and name HA
) 3.2 0.6 0.6 volume=1.061 peak=174 ppm1=2.101 ppm2=4.315
assign ( resid 112 and name HA
)
( resid 111 and name HN
) 3.3 0.7 1.7 volume=0.888 peak=386 ppm1=4.393 ppm2=8.226
assign ( resid 21 and name HA
)
( resid 21 and name HG2#
) 3.7 0.7 0.7 volume=1.256 peak=199 ppm1=4.115 ppm2=1.359
assign ( resid 31 and name HA
)
( resid 32 and name HG
) 3.9 0.8 2.0 volume=0.286 peak=218 ppm1=3.485 ppm2=0.825
assign ( resid 75 and name HG2#
)
( resid 67 and name HB2
) 3.7 0.7 2.7 volume=1.299 peak=224 ppm1=0.509 ppm2=3.353
assign ( resid 79 and name HB#
)
( resid 79 and name HA
) 3.4 2.7 0.7 volume=1.928 peak=265 ppm1=0.796 ppm2=3.992
assign ( resid 89 and name HB2
)
( resid 89 and name HN
) 3.8 2.8 0.8 volume=0.341 peak=448 ppm1=1.204 ppm2=7.451
assign ( resid 46 and name HA
)
( resid 46 and name HG1
) 3.2 2.6 0.6 volume=1.033 peak=312 ppm1=4.011 ppm2=2.043
assign ( resid 46 and name HD2
)
( resid 45 and name HN
) 3.8 1.8 0.8 volume=0.331 peak=61 ppm1=3.367 ppm2=7.296
assign ( resid 59 and name HA
)
( resid 60 and name HN
) 4.0 0.8 0.8 volume=0.245 peak=423 ppm1=3.670 ppm2=7.559
assign ( resid 87 and name HA
)
( resid 87 and name HG2
) 3.6 0.7 0.7 volume=0.528 peak=161 ppm1=3.221 ppm2=1.741
assign ( resid 89 and name HA
)
( resid 88 and name HB1
) 2.7 0.5 2.5 volume=2.973 peak=513 ppm1=3.913 ppm2=2.074
assign ( resid 29 and name HB#
)
( resid 29 and name HA
) 3.2 1.6 0.6 volume=2.986 peak=340 ppm1=1.231 ppm2=3.713
assign ( resid 86 and name HG11
)
( resid 86 and name HN
) 3.8 0.8 0.8 volume=0.330 peak=119 ppm1=1.421 ppm2=7.932
assign ( resid 15 and name HD1#
)
( resid 86 and name HG11
) 4.0 0.8 0.8 volume=0.838 peak=280 ppm1=0.342 ppm2=1.483
assign ( resid 90 and name HG2#
)
( resid 90 and name HD1#
) 4.0 2.8 0.8 volume=2.323 peak=254 ppm1=0.609 ppm2=0.025
assign ( resid 68 and name HA
)
( resid 70 and name HN
) 3.1 0.6 0.6 volume=1.173 peak=454 ppm1=4.410 ppm2=8.673
assign ( resid 72 and name HD2
)
( resid 68 and name HA
) 3.0 0.6 0.6 volume=1.393 peak=244 ppm1=3.278 ppm2=4.364
assign ( resid 53 and name HB
)
( resid 53 and name HN
) 3.2 0.6 0.6 volume=0.916 peak=99 ppm1=1.934 ppm2=8.764
assign ( resid 19 and name HG
)
( resid 85 and name HG
) 2.7 2.5 1.5 volume=2.938 peak=77 ppm1=0.740 ppm2=1.847
assign ( resid 86 and name HG2#
)
( resid 86 and name HB
) 3.5 1.7 0.7 volume=1.807 peak=42 ppm1=-0.495 ppm2=1.952
assign ( resid 74 and name HB1
)
( resid 73 and name HA
) 3.9 0.8 1.8 volume=0.329 peak=231 ppm1=1.592 ppm2=4.120
assign ( resid 86 and name HD1#
)
( resid 89 and name HD1#
) 4.0 0.8 1.8 volume=2.319 peak=215 ppm1=0.810 ppm2=0.595
assign ( resid 35 and name HB1
)
( resid 33 and name HN
) 4.3 0.9 0.9 volume=0.168 peak=111 ppm1=2.879 ppm2=7.240
assign ( resid 53 and name HB
)
( resid 53 and name HG11
) 3.2 0.6 0.6 volume=1.069 peak=300 ppm1=1.935 ppm2=1.548
assign ( resid 77 and name HA
)
( resid 77 and name HB
) 3.1 0.6 0.6 volume=1.225 peak=22 ppm1=3.916 ppm2=2.218
assign ( resid 39 and name HA
)
( resid 39 and name HN
) 3.7 0.7 0.7 volume=0.427 peak=54 ppm1=3.473 ppm2=7.587
assign ( resid 79 and name HA
)
( resid 82 and name HB2
) 3.7 0.7 0.7 volume=0.400 peak=391 ppm1=4.010 ppm2=1.590
assign ( resid 14 and name HB1
)
( resid 11 and name HB1
) 4.0 0.8 1.8 volume=0.245 peak=29 ppm1=2.177 ppm2=2.986
assign ( resid 76 and name HD2
)
( resid 79 and name HB2
) 4.1 0.8 1.8 volume=0.234 peak=308 ppm1=2.722 ppm2=0.797
assign ( resid 66 and name HB2
)
( resid 65 and name HA
) 3.4 0.7 2.7 volume=0.683 peak=133 ppm1=3.287 ppm2=4.427
assign ( resid 77 and name HA
)
( resid 77 and name HG2#
) 3.6 1.7 0.7 volume=1.516 peak=6 ppm1=3.916 ppm2=1.065
assign ( resid 19 and name HB1
)
( resid 20 and name HN
) 3.8 0.8 0.8 volume=0.377 peak=3 ppm1=1.724 ppm2=8.361
assign ( resid 43 and name HD1
)
( resid 43 and name HG2
) 2.9 0.6 0.6 volume=1.843 peak=358 ppm1=3.891 ppm2=2.042
assign ( resid 26 and name HG2#
)
( resid 26 and name HB
) 3.2 0.6 0.6 volume=3.296 peak=532 ppm1=0.689 ppm2=1.832
assign ( resid 90 and name HD1#
)
( resid 86 and name HG2#
) 4.4 0.9 0.9 volume=1.255 peak=452 ppm1=0.020 ppm2=-0.485
assign ( resid 53 and name HG11
)
( resid 52 and name HA
) 3.6 0.7 1.7 volume=0.496 peak=408 ppm1=1.532 ppm2=4.692
assign ( resid 75 and name HB
)
( resid 74 and name HD1
) 3.0 0.6 1.6 volume=1.587 peak=433 ppm1=2.165 ppm2=1.955
assign ( resid 89 and name HG
)
( resid 85 and name HG
) 2.7 0.5 2.5 volume=3.068 peak=359 ppm1=0.635 ppm2=1.746
assign ( resid 72 and name HD2
)
( resid 71 and name HN
) 4.3 1.9 0.9 volume=0.181 peak=456 ppm1=3.284 ppm2=7.904
assign ( resid 88 and name HB1
)
( resid 87 and name HG2
) 2.7 0.5 0.5 volume=2.557 peak=47 ppm1=2.060 ppm2=1.716
assign ( resid 45 and name HA
)
( resid 50 and name HG2#
) 4.3 0.9 0.9 volume=0.476 peak=495 ppm1=4.052 ppm2=1.157
assign ( resid 77 and name HG2#
)
( resid 76 and name HD2
) 4.0 0.8 1.8 volume=0.732 peak=505 ppm1=1.054 ppm2=2.734
assign ( resid 86 and name HB
)
( resid 86 and name HG2#
) 5.5 4.1 1.1 volume=0.120 peak=252 ppm1=1.995 ppm2=-0.459
assign ( resid 67 and name HB2
)
( resid 64 and name HB2
) 4.5 0.9 0.9 volume=0.123 peak=404 ppm1=3.284 ppm2=2.214
assign ( resid 90 and name HA
)
( resid 90 and name HD1#
) 5.0 4.0 1.0 volume=0.201 peak=45 ppm1=3.361 ppm2=0.096
assign ( resid 119 and name HA
)
( resid 115 and name HB2
) 3.3 0.7 0.7 volume=0.766 peak=80 ppm1=4.072 ppm2=2.118
assign ( resid 85 and name HG
)
( resid 88 and name HG1
) 3.5 0.7 0.7 volume=0.574 peak=20 ppm1=1.734 ppm2=2.224
assign ( resid 86 and name HB
)
( resid 83 and name HA
) 3.6 0.7 0.7 volume=0.486 peak=501 ppm1=1.983 ppm2=4.402
assign ( resid 108 and name HB1
)
( resid 109 and name HN
) 3.0 0.6 1.6 volume=1.343 peak=531 ppm1=1.827 ppm2=8.146
assign ( resid 15 and name HD1#
)
( resid 15 and name HA
) 3.7 2.7 0.7 volume=1.292 peak=343 ppm1=0.340 ppm2=3.876
assign ( resid 67 and name HB2
)
( resid 75 and name HG2#
) 5.2 1.0 1.0 volume=0.165 peak=417 ppm1=3.274 ppm2=0.530
assign ( resid 99 and name HA
)
( resid 99 and name HN
) 3.6 0.7 0.7 volume=0.457 peak=356 ppm1=3.436 ppm2=7.896
assign ( resid 18 and name HA
)
( resid 18 and name HB#
) 3.5 2.7 0.7 volume=1.800 peak=141 ppm1=3.799 ppm2=1.348
assign ( resid 92 and name HB1
)
( resid 95 and name HG1#
) 3.6 0.7 1.7 volume=1.609 peak=424 ppm1=1.934 ppm2=0.833
assign ( resid 86 and name HG2#
)
( resid 90 and name HB
) 4.4 0.9 0.9 volume=0.418 peak=52 ppm1=-0.495 ppm2=1.687
assign ( resid 43 and name HB1
)
( resid 45 and name HN
) 4.4 0.9 0.9 volume=0.151 peak=17 ppm1=2.435 ppm2=7.311
assign ( resid 88 and name HA
)
( resid 88 and name HB1
) 2.6 0.5 0.5 volume=3.502 peak=481 ppm1=3.860 ppm2=2.022
assign ( resid 32 and name HB2
)
( resid 34 and name HN
) 3.9 0.8 0.8 volume=0.313 peak=511 ppm1=1.302 ppm2=7.850
assign ( resid 101 and name HB#
)
( resid 99 and name HB
) 3.9 0.8 1.8 volume=0.945 peak=411 ppm1=1.409 ppm2=2.144
assign ( resid 72 and name HD2
)
( resid 72 and name HB1
) 3.5 0.7 1.7 volume=0.633 peak=7 ppm1=3.288 ppm2=2.436
assign ( resid 25 and name HA
)
( resid 26 and name HN
) 2.9 0.6 0.6 volume=1.946 peak=208 ppm1=4.339 ppm2=7.548
assign ( resid 86 and name HA
)
( resid 89 and name HB2
) 4.2 2.8 0.8 volume=0.184 peak=437 ppm1=3.461 ppm2=1.263
assign ( resid 74 and name HB1
)
( resid 73 and name HN
) 4.1 0.8 0.8 volume=0.224 peak=504 ppm1=1.613 ppm2=8.613
assign ( resid 38 and name HB
)
( resid 38 and name HG2#
) 4.2 2.8 0.8 volume=0.606 peak=108 ppm1=2.313 ppm2=0.705
assign ( resid 118 and name HA
)
( resid 118 and name HB2
) 2.7 0.5 0.5 volume=2.882 peak=540 ppm1=4.158 ppm2=1.517
assign ( resid 38 and name HG2#
)
( resid 38 and name HN
) 3.8 2.8 0.8 volume=1.020 peak=74 ppm1=0.695 ppm2=8.448
assign ( resid 77 and name HA
)
( resid 80 and name HB1
) 4.3 0.9 0.9 volume=0.179 peak=541 ppm1=3.917 ppm2=2.989
assign ( resid 85 and name HA
)
( resid 86 and name HB
) 2.5 0.5 3.0 volume=4.217 peak=322 ppm1=4.044 ppm2=2.002
assign ( resid 78 and name HB
)
( resid 79 and name HN
) 4.5 0.9 0.9 volume=0.121 peak=455 ppm1=3.868 ppm2=7.804
assign ( resid 68 and name HA
)
( resid 68 and name HB1
) 3.1 0.6 0.6 volume=1.218 peak=328 ppm1=4.379 ppm2=2.905
assign ( resid 75 and name HG2#
)
( resid 75 and name HB
) 3.3 0.7 0.7 volume=2.533 peak=548 ppm1=0.508 ppm2=2.233
assign ( resid 90 and name HD1#
)
( resid 51 and name HD1#
) 3.7 0.7 0.7 volume=3.693 peak=135 ppm1=0.018 ppm2=0.613
assign ( resid 59 and name HG2#
)
( resid 58 and name HB1
) 4.7 0.9 0.9 volume=0.313 peak=468 ppm1=0.439 ppm2=2.179
assign ( resid 12 and name HG2#
)
( resid 9 and name HA
) 3.8 0.8 0.8 volume=1.056 peak=50 ppm1=1.126 ppm2=3.884
assign ( resid 73 and name HB1
)
( resid 74 and name HN
) 2.9 0.6 0.6 volume=1.782 peak=464 ppm1=1.987 ppm2=7.505
assign ( resid 101 and name HA
)
( resid 103 and name HB
) 3.3 0.7 0.7 volume=0.785 peak=182 ppm1=4.204 ppm2=2.125
assign ( resid 29 and name HA
)
( resid 27 and name HD2
) 3.7 0.7 0.7 volume=0.447 peak=307 ppm1=3.711 ppm2=1.701
assign ( resid 31 and name HG
)
( resid 31 and name HA
) 3.5 1.7 0.7 volume=0.576 peak=191 ppm1=0.592 ppm2=3.505
assign ( resid 18 and name HA
)
( resid 19 and name HD2#
) 5.2 1.0 1.0 volume=0.157 peak=502 ppm1=3.794 ppm2=0.613
assign ( resid 86 and name HG2#
)
( resid 51 and name HD1#
) 4.2 0.8 0.8 volume=1.887 peak=171 ppm1=-0.493 ppm2=0.628
assign ( resid 31 and name HD1#
)
( resid 12 and name HG2#
) 4.6 0.9 0.9 volume=0.961 peak=28 ppm1=0.559 ppm2=1.078
assign ( resid 35 and name HA
)
( resid 34 and name HN
) 3.4 0.7 2.7 volume=0.745 peak=375 ppm1=3.769 ppm2=7.712
assign ( resid 51 and name HD1#
)
( resid 86 and name HG11
) 4.6 1.9 0.9 volume=0.329 peak=65 ppm1=0.618 ppm2=1.484
assign ( resid 79 and name HA
)
( resid 80 and name HN
) 3.6 0.7 0.7 volume=0.512 peak=486 ppm1=4.001 ppm2=7.324
assign ( resid 38 and name HG1#
)
( resid 38 and name HA
) 3.8 2.8 0.8 volume=1.073 peak=444 ppm1=0.508 ppm2=3.076
assign ( resid 98 and name HA
)
( resid 102 and name HB#
) 4.1 0.8 0.8 volume=0.633 peak=542 ppm1=3.948 ppm2=1.357
assign ( resid 53 and name HB
)
( resid 53 and name HA
) 3.4 0.7 0.7 volume=0.660 peak=281 ppm1=1.937 ppm2=4.143
assign ( resid 11 and name HB1
)
( resid 12 and name HN
) 3.9 0.8 0.8 volume=0.298 peak=156 ppm1=3.079 ppm2=8.051
assign ( resid 5 and name HG
)
( resid 8 and name HB2
) 3.7 0.7 1.7 volume=0.445 peak=189 ppm1=1.003 ppm2=3.044
assign ( resid 51 and name HD1#
)
( resid 51 and name HA
) 3.9 1.8 0.8 volume=0.860 peak=321 ppm1=0.622 ppm2=4.147
assign ( resid 19 and name HG
)
( resid 21 and name HG2#
) 3.4 0.7 1.7 volume=2.117 peak=318 ppm1=0.740 ppm2=1.435
assign ( resid 88 and name HA
)
( resid 87 and name HG2
) 2.9 0.6 0.6 volume=1.916 peak=462 ppm1=3.867 ppm2=1.784
assign ( resid 32 and name HA
)
( resid 34 and name HN
) 3.7 0.7 1.7 volume=0.443 peak=205 ppm1=3.600 ppm2=7.830
assign ( resid 98 and name HA
)
( resid 98 and name HG2
) 2.8 0.6 0.6 volume=2.381 peak=222 ppm1=3.943 ppm2=2.439
assign ( resid 86 and name HB
)
( resid 87 and name HA
) 4.0 0.8 0.8 volume=0.282 peak=382 ppm1=1.978 ppm2=3.182
assign ( resid 85 and name HA
)
( resid 85 and name HB2
) 2.8 0.6 0.6 volume=2.469 peak=295 ppm1=4.056 ppm2=1.762
assign ( resid 77 and name HG2#
)
( resid 77 and name HB
) 3.0 0.6 0.6 volume=4.259 peak=134 ppm1=1.054 ppm2=2.217
assign ( resid 14 and name HB1
)
( resid 10 and name HB2
) 2.7 0.5 1.5 volume=2.728 peak=155 ppm1=2.202 ppm2=1.921
assign ( resid 86 and name HG2#
)
( resid 86 and name HG11
) 3.8 0.8 0.8 volume=1.029 peak=469 ppm1=-0.496 ppm2=1.395
assign ( resid 38 and name HB
)
( resid 38 and name HG1#
) 4.3 2.9 0.9 volume=0.523 peak=330 ppm1=2.303 ppm2=0.508
assign ( resid 75 and name HB
)
( resid 75 and name HG2#
) 4.2 2.8 0.8 volume=0.575 peak=371 ppm1=2.204 ppm2=0.499
assign ( resid 53 and name HD1#
)
( resid 90 and name HG2#
) 5.2 2.0 1.0 volume=0.500 peak=323 ppm1=0.980 ppm2=0.595
assign ( resid 15 and name HG
)
( resid 15 and name HB1
) 2.9 0.6 0.6 volume=1.742 peak=493 ppm1=0.724 ppm2=1.812
assign ( resid 9 and name HA
)
( resid 12 and name HB
) 2.7 0.5 0.5 volume=2.690 peak=67 ppm1=3.971 ppm2=2.057
assign ( resid 99 and name HA
)
( resid 99 and name HB
) 3.8 0.8 0.8 volume=0.376 peak=458 ppm1=3.436 ppm2=2.126
assign ( resid 86 and name HA
)
( resid 89 and name HN
) 4.0 0.8 0.8 volume=0.244 peak=345 ppm1=3.460 ppm2=7.436
assign ( resid 85 and name HG
)
( resid 89 and name HB2
) 3.9 0.8 0.8 volume=0.301 peak=264 ppm1=1.739 ppm2=1.192
assign ( resid 15 and name HB1
)
( resid 15 and name HD1#
) 5.1 4.0 1.0 volume=0.190 peak=75 ppm1=1.825 ppm2=0.339
assign ( resid 59 and name HG2#
)
( resid 59 and name HB
) 3.8 2.8 0.8 volume=1.100 peak=506 ppm1=0.441 ppm2=1.490
assign ( resid 14 and name HG2
)
( resid 10 and name HB2
) 3.9 0.8 0.8 volume=0.306 peak=275 ppm1=2.551 ppm2=1.896
assign ( resid 89 and name HB2
)
( resid 90 and name HA
) 4.3 0.9 0.9 volume=0.172 peak=445 ppm1=1.207 ppm2=3.407
assign ( resid 90 and name HG2#
)
( resid 90 and name HA
) 3.7 1.7 0.7 volume=1.351 peak=369 ppm1=0.605 ppm2=3.343
assign ( resid 76 and name HD2
)
( resid 76 and name HG1
) 3.7 0.7 0.7 volume=0.454 peak=557 ppm1=2.717 ppm2=1.735
assign ( resid 16 and name HB2
)
( resid 17 and name HN
) 3.5 0.7 0.7 volume=0.620 peak=425 ppm1=1.741 ppm2=7.854
assign ( resid 98 and name HA
)
( resid 98 and name HN
) 3.3 0.7 0.7 volume=0.828 peak=13 ppm1=3.956 ppm2=8.269
assign ( resid 113 and name HB2
)
( resid 112 and name HA
) 4.8 1.0 1.0 volume=0.085 peak=257 ppm1=2.757 ppm2=4.400
assign ( resid 15 and name HB1
)
( resid 18 and name HB#
) 3.7 0.7 1.7 volume=1.274 peak=84 ppm1=1.889 ppm2=1.459
assign ( resid 97 and name HA
)
( resid 101 and name HB#
) 4.7 0.9 0.9 volume=0.300 peak=225 ppm1=4.326 ppm2=1.383
assign ( resid 14 and name HG2
)
( resid 14 and name HB1
) 3.6 0.7 0.7 volume=0.487 peak=298 ppm1=2.553 ppm2=2.200
assign ( resid 26 and name HA
)
( resid 26 and name HB
) 2.9 0.6 0.6 volume=1.912 peak=344 ppm1=4.136 ppm2=1.824
assign ( resid 59 and name HG2#
)
( resid 41 and name HA
) 5.1 1.0 1.0 volume=0.194 peak=389 ppm1=0.450 ppm2=3.987
assign ( resid 16 and name HA
)
( resid 16 and name HD2
) 3.2 0.6 1.6 volume=1.064 peak=381 ppm1=3.731 ppm2=1.728
assign ( resid 99 and name HB
)
( resid 99 and name HN
) 3.3 1.7 0.7 volume=0.760 peak=190 ppm1=2.139 ppm2=7.926
assign ( resid 99 and name HB
)
( resid 99 and name HG2#
) 3.5 1.7 0.7 volume=1.794 peak=524 ppm1=2.149 ppm2=0.839
assign ( resid 80 and name HB1
)
( resid 81 and name HN
) 3.5 0.7 0.7 volume=0.579 peak=85 ppm1=2.977 ppm2=7.757
assign ( resid 118 and name HB2
)
( resid 118 and name HA
) 3.9 1.8 0.8 volume=0.318 peak=101 ppm1=1.550 ppm2=4.147
assign ( resid 53 and name HG11
)
( resid 90 and name HB
) 2.9 0.6 0.6 volume=1.961 peak=178 ppm1=1.552 ppm2=1.957
assign ( resid 74 and name HB1
)
( resid 74 and name HA
) 3.5 1.7 0.7 volume=0.572 peak=363 ppm1=1.614 ppm2=4.406
assign ( resid 12 and name HG2#
)
( resid 12 and name HB
) 3.5 1.7 0.7 volume=1.810 peak=489 ppm1=1.128 ppm2=2.066
assign ( resid 12 and name HG2#
)
( resid 12 and name HA
) 3.7 2.7 0.7 volume=1.339 peak=499 ppm1=1.128 ppm2=3.116
assign ( resid 117 and name HA
)
( resid 117 and name HN
) 3.3 0.7 0.7 volume=0.797 peak=451 ppm1=4.573 ppm2=8.305
assign ( resid 117 and name HA
)
( resid 118 and name HN
) 3.0 0.6 0.6 volume=1.390 peak=69 ppm1=4.572 ppm2=8.085
assign ( resid 53 and name HA
)
( resid 53 and name HD1#
) 3.7 1.7 0.7 volume=1.350 peak=138 ppm1=4.145 ppm2=1.004
assign ( resid 38 and name HG1#
)
( resid 38 and name HN
) 4.5 1.9 0.9 volume=0.398 peak=90 ppm1=0.508 ppm2=8.487
assign ( resid 35 and name HB1
)
( resid 35 and name HA
) 3.4 0.7 0.7 volume=0.654 peak=480 ppm1=2.889 ppm2=3.800
assign ( resid 21 and name HA
)
( resid 22 and name HN
) 4.0 0.8 0.8 volume=0.271 peak=436 ppm1=4.114 ppm2=7.312
assign ( resid 90 and name HG12
)
( resid 90 and name HD1#
) 4.3 2.9 0.9 volume=0.477 peak=399 ppm1=1.619 ppm2=0.032
assign ( resid 90 and name HA
)
( resid 51 and name HG11
) 3.9 0.8 0.8 volume=0.296 peak=163 ppm1=3.351 ppm2=1.316
assign ( resid 21 and name HB
)
( resid 22 and name HN
) 4.1 0.8 0.8 volume=0.232 peak=230 ppm1=4.209 ppm2=7.393
assign ( resid 12 and name HG2#
)
( resid 11 and name HB1
) 3.7 0.7 0.7 volume=1.294 peak=297 ppm1=1.126 ppm2=3.113
assign ( resid 46 and name HD2
)
( resid 46 and name HB2
) 3.7 0.7 0.7 volume=0.437 peak=555 ppm1=3.368 ppm2=2.558
assign ( resid 59 and name HG1#
)
( resid 59 and name HB
) 3.7 2.7 0.7 volume=1.351 peak=397 ppm1=-0.418 ppm2=1.479
assign ( resid 75 and name HG2#
)
( resid 77 and name HG2#
) 3.8 0.8 1.8 volume=3.113 peak=350 ppm1=0.508 ppm2=1.142
assign ( resid 86 and name HG2#
)
( resid 90 and name HD1#
) 4.4 0.9 0.9 volume=1.257 peak=530 ppm1=-0.494 ppm2=0.025
assign ( resid 51 and name HD1#
)
( resid 52 and name HN
) 3.6 0.7 0.7 volume=1.483 peak=426 ppm1=0.620 ppm2=7.148
assign ( resid 53 and name HG2#
)
( resid 53 and name HB
) 3.2 0.6 0.6 volume=2.813 peak=440 ppm1=1.053 ppm2=1.932
assign ( resid 15 and name HG
)
( resid 15 and name HD1#
) 3.8 2.8 0.8 volume=1.113 peak=125 ppm1=0.722 ppm2=0.349
assign ( resid 19 and name HD2#
)
( resid 85 and name HD2#
) 3.3 0.7 1.7 volume=7.314 peak=70 ppm1=0.635 ppm2=0.803
assign ( resid 59 and name HA
)
( resid 59 and name HB
) 4.0 2.8 0.8 volume=0.250 peak=214 ppm1=3.672 ppm2=1.468
assign ( resid 15 and name HD1#
)
( resid 86 and name HA
) 4.3 0.9 0.9 volume=0.520 peak=289 ppm1=0.342 ppm2=3.412
assign ( resid 59 and name HG2#
)
( resid 59 and name HA
) 3.9 2.8 0.8 volume=0.893 peak=175 ppm1=0.440 ppm2=3.675
assign ( resid 88 and name HA
)
( resid 87 and name HN
) 3.3 0.7 1.9 volume=0.825 peak=123 ppm1=3.850 ppm2=7.886
assign ( resid 39 and name HA
)
( resid 39 and name HG2
) 3.3 0.7 0.7 volume=0.851 peak=374 ppm1=3.470 ppm2=1.373
assign ( resid 53 and name HB
)
( resid 51 and name HG2#
) 4.4 0.9 0.9 volume=0.431 peak=326 ppm1=1.934 ppm2=0.599
assign ( resid 86 and name HD1#
)
( resid 86 and name HA
) 3.7 0.7 0.7 volume=1.339 peak=1 ppm1=0.811 ppm2=3.460
assign ( resid 38 and name HB
)
( resid 38 and name HN
) 3.8 0.8 0.8 volume=0.360 peak=327 ppm1=2.310 ppm2=8.460
assign ( resid 59 and name HG2#
)
( resid 60 and name HN
) 4.0 0.8 0.8 volume=0.810 peak=339 ppm1=0.440 ppm2=7.542
assign ( resid 99 and name HB
)
( resid 98 and name HN
) 3.6 0.7 1.7 volume=0.519 peak=314 ppm1=2.147 ppm2=8.311
assign ( resid 27 and name HB2
)
( resid 27 and name HN
) 3.6 0.7 0.7 volume=0.492 peak=342 ppm1=1.651 ppm2=8.640
assign ( resid 87 and name HA
)
( resid 88 and name HN
) 4.3 0.9 0.9 volume=0.175 peak=392 ppm1=3.233 ppm2=7.641
assign ( resid 59 and name HG1#
)
( resid 59 and name HG2#
) 3.9 2.8 0.8 volume=2.947 peak=473 ppm1=-0.416 ppm2=0.462
assign ( resid 85 and name HA
)
( resid 89 and name HB2
) 3.3 0.7 1.7 volume=0.783 peak=55 ppm1=4.051 ppm2=1.313
assign ( resid 75 and name HB
)
( resid 77 and name HG2#
) 4.2 0.8 0.8 volume=0.598 peak=203 ppm1=2.201 ppm2=1.102
assign ( resid 46 and name HD2
)
( resid 46 and name HG1
) 3.5 0.7 0.7 volume=0.547 peak=60 ppm1=3.367 ppm2=2.115
assign ( resid 38 and name HG1#
)
( resid 39 and name HN
) 4.3 0.9 0.9 volume=0.520 peak=221 ppm1=0.511 ppm2=7.564
assign ( resid 97 and name HD1
)
( resid 97 and name HG2
) 3.1 0.6 2.6 volume=1.211 peak=390 ppm1=3.672 ppm2=2.097
assign ( resid 29 and name HB#
)
( resid 31 and name HN
) 5.2 1.0 1.0 volume=0.159 peak=206 ppm1=1.225 ppm2=7.613
assign ( resid 85 and name HG
)
( resid 89 and name HN
) 3.6 0.7 0.7 volume=0.495 peak=554 ppm1=1.759 ppm2=7.445
assign ( resid 16 and name HA
)
( resid 20 and name HN
) 3.6 0.7 0.7 volume=0.482 peak=485 ppm1=3.728 ppm2=8.336
assign ( resid 85 and name HA
)
( resid 22 and name HG1
) 3.0 0.6 2.6 volume=1.360 peak=546 ppm1=4.051 ppm2=1.562
assign ( resid 90 and name HA
)
( resid 90 and name HG2#
) 4.3 2.9 0.9 volume=0.528 peak=552 ppm1=3.350 ppm2=0.598
assign ( resid 38 and name HG1#
)
( resid 37 and name HB1
) 4.0 0.8 0.8 volume=0.775 peak=66 ppm1=0.508 ppm2=2.775
assign ( resid 54 and name HB2
)
( resid 54 and name HN
) 3.3 0.7 0.7 volume=0.872 peak=331 ppm1=1.893 ppm2=8.101
assign ( resid 53 and name HD1#
)
( resid 90 and name HD1#
) 5.4 3.1 1.1 volume=0.381 peak=545 ppm1=0.984 ppm2=0.034
assign ( resid 38 and name HG2#
)
( resid 38 and name HB
) 3.7 1.7 0.7 volume=1.213 peak=273 ppm1=0.695 ppm2=2.295
assign ( resid 90 and name HD1#
)
( resid 95 and name HG1#
) 4.7 0.9 0.9 volume=0.925 peak=32 ppm1=0.017 ppm2=0.900
assign ( resid 59 and name HG2#
)
( resid 60 and name HA2
) 4.4 0.9 0.9 volume=0.422 peak=347 ppm1=0.439 ppm2=2.469
assign ( resid 35 and name HA
)
( resid 35 and name HB1
) 3.1 0.6 0.6 volume=1.321 peak=398 ppm1=3.800 ppm2=2.937
assign ( resid 27 and name HG2
)
( resid 27 and name HE2
) 3.1 0.6 0.6 volume=1.195 peak=430 ppm1=1.522 ppm2=2.952
assign ( resid 118 and name HA
)
( resid 118 and name HG
) 3.0 0.6 0.6 volume=1.445 peak=472 ppm1=4.149 ppm2=0.803
assign ( resid 38 and name HA
)
( resid 39 and name HN
) 3.8 0.8 0.8 volume=0.337 peak=104 ppm1=3.086 ppm2=7.630
assign ( resid 86 and name HG2#
)
( resid 86 and name HA
) 3.9 0.8 0.8 volume=0.953 peak=370 ppm1=-0.495 ppm2=3.449
assign ( resid 16 and name HA
)
( resid 19 and name HN
) 4.0 0.8 0.8 volume=0.283 peak=278 ppm1=3.730 ppm2=8.161
assign ( resid 95 and name HB
)
( resid 95 and name HG1#
) 4.1 2.8 0.8 volume=0.650 peak=290 ppm1=2.050 ppm2=0.885
assign ( resid 86 and name HA
)
( resid 86 and name HG11
) 4.4 2.9 0.9 volume=0.151 peak=362 ppm1=3.464 ppm2=1.449
assign ( resid 67 and name HB2
)
( resid 63 and name HA
) 3.7 0.7 0.7 volume=0.433 peak=507 ppm1=3.275 ppm2=4.111
assign ( resid 109 and name HA
)
( resid 107 and name HB2
) 3.4 0.7 1.7 volume=0.652 peak=283 ppm1=4.041 ppm2=1.915
assign ( resid 14 and name HG2
)
( resid 14 and name HA
) 4.2 0.8 0.8 volume=0.184 peak=274 ppm1=2.558 ppm2=3.648
assign ( resid 88 and name HG1
)
( resid 89 and name HN
) 3.1 0.6 0.6 volume=1.106 peak=494 ppm1=2.264 ppm2=7.490
assign ( resid 74 and name HA
)
( resid 74 and name HB1
) 3.0 0.6 0.6 volume=1.593 peak=270 ppm1=4.355 ppm2=1.626
assign ( resid 75 and name HG2#
)
( resid 75 and name HN
) 3.7 1.7 0.7 volume=1.295 peak=311 ppm1=0.508 ppm2=7.277
assign ( resid 38 and name HG2#
)
( resid 38 and name HA
) 3.8 0.8 0.8 volume=1.072 peak=492 ppm1=0.696 ppm2=3.098
assign ( resid 102 and name HB#
)
( resid 103 and name HN
) 4.0 0.8 0.8 volume=0.810 peak=53 ppm1=1.305 ppm2=8.855
assign ( resid 26 and name HA
)
( resid 26 and name HG1#
) 3.5 1.7 0.7 volume=1.826 peak=160 ppm1=4.144 ppm2=0.733
assign ( resid 87 and name HA
)
( resid 89 and name HB2
) 3.4 0.7 2.7 volume=0.668 peak=378 ppm1=3.223 ppm2=1.297
assign ( resid 53 and name HB
)
( resid 54 and name HN
) 3.8 1.8 0.8 volume=0.334 peak=30 ppm1=1.936 ppm2=8.101
assign ( resid 26 and name HA
)
( resid 27 and name HN
) 2.8 0.6 0.6 volume=2.103 peak=520 ppm1=4.147 ppm2=8.608
assign ( resid 59 and name HG2#
)
( resid 59 and name HN
) 3.9 0.8 0.8 volume=0.962 peak=8 ppm1=0.441 ppm2=7.825
assign ( resid 15 and name HD1#
)
( resid 15 and name HB1
) 3.6 1.7 0.7 volume=1.585 peak=296 ppm1=0.341 ppm2=1.816
assign ( resid 74 and name HB1
)
( resid 74 and name HD1
) 2.9 0.6 0.6 volume=1.798 peak=261 ppm1=1.607 ppm2=1.979
assign ( resid 88 and name HG1
)
( resid 88 and name HB1
) 2.1 0.4 0.4 volume=13.389 peak=152 ppm1=2.268 ppm2=1.997
assign ( resid 51 and name HD1#
)
( resid 86 and name HN
) 4.3 0.9 0.9 volume=0.481 peak=527 ppm1=0.628 ppm2=7.888
assign ( resid 51 and name HG11
)
( resid 89 and name HG
) 3.2 0.6 2.6 volume=1.019 peak=100 ppm1=1.257 ppm2=0.640
assign ( resid 53 and name HD1#
)
( resid 53 and name HB
) 3.7 0.7 0.7 volume=1.358 peak=538 ppm1=0.983 ppm2=1.921
assign ( resid 69 and name HA
)
( resid 69 and name HG1
) 3.1 0.6 0.6 volume=1.302 peak=137 ppm1=3.866 ppm2=0.314
assign ( resid 29 and name HB#
)
( resid 30 and name HN
) 3.9 0.8 0.8 volume=0.919 peak=15 ppm1=1.231 ppm2=6.921
assign ( resid 43 and name HD1
)
( resid 43 and name HB1
) 3.8 0.8 0.8 volume=0.347 peak=302 ppm1=3.899 ppm2=2.385
assign ( resid 73 and name HB1
)
( resid 73 and name HN
) 3.0 0.6 0.6 volume=1.425 peak=16 ppm1=1.985 ppm2=8.603
assign ( resid 21 and name HG2#
)
( resid 19 and name HA
) 4.0 0.8 0.8 volume=0.799 peak=526 ppm1=1.355 ppm2=3.807
assign ( resid 33 and name HB2
)
( resid 33 and name HN
) 3.1 0.6 0.6 volume=1.215 peak=239 ppm1=1.908 ppm2=7.188
assign ( resid 90 and name HD1#
)
( resid 51 and name HA
) 4.3 0.9 0.9 volume=0.490 peak=449 ppm1=0.018 ppm2=4.143
assign ( resid 51 and name HB
)
( resid 51 and name HG11
) 3.8 2.8 0.8 volume=0.335 peak=332 ppm1=1.991 ppm2=1.224
assign ( resid 19 and name HB1
)
( resid 21 and name HN
) 3.6 0.7 1.7 volume=0.517 peak=72 ppm1=1.691 ppm2=7.858
assign ( resid 51 and name HG11
)
( resid 52 and name HN
) 4.3 0.9 0.9 volume=0.178 peak=128 ppm1=1.271 ppm2=7.170
assign ( resid 32 and name HA
)
( resid 32 and name HG
) 3.1 0.6 0.6 volume=1.325 peak=366 ppm1=3.603 ppm2=0.813
assign ( resid 102 and name HA
)
( resid 101 and name HA
) 3.3 0.7 1.7 volume=0.884 peak=238 ppm1=4.010 ppm2=4.207
assign ( resid 77 and name HB
)
( resid 77 and name HA
) 3.0 0.6 0.6 volume=1.420 peak=272 ppm1=2.215 ppm2=3.929
assign ( resid 52 and name HA
)
( resid 52 and name HB1
) 3.3 0.7 0.7 volume=0.809 peak=337 ppm1=4.610 ppm2=2.718
assign ( resid 69 and name HG1
)
( resid 70 and name HN
) 3.8 0.8 0.8 volume=0.334 peak=200 ppm1=0.311 ppm2=8.599
assign ( resid 18 and name HA
)
( resid 20 and name HB2
) 3.8 0.8 2.8 volume=0.340 peak=82 ppm1=3.797 ppm2=2.133
assign ( resid 16 and name HD2
)
( resid 30 and name HB1
) 3.5 0.7 0.7 volume=0.580 peak=2 ppm1=1.753 ppm2=2.714
assign ( resid 89 and name HA
)
( resid 89 and name HB2
) 3.3 0.7 0.7 volume=0.791 peak=367 ppm1=3.907 ppm2=1.227
assign ( resid 117 and name HA
)
( resid 117 and name HB2
) 2.9 0.6 0.6 volume=1.957 peak=407 ppm1=4.573 ppm2=2.686
assign ( resid 97 and name HA
)
( resid 99 and name HA
) 3.7 0.7 2.7 volume=0.408 peak=515 ppm1=4.320 ppm2=3.410
assign ( resid 87 and name HA
)
( resid 87 and name HB2
) 3.5 0.7 0.7 volume=0.583 peak=150 ppm1=3.223 ppm2=0.760
assign ( resid 51 and name HG11
)
( resid 51 and name HB
) 3.9 1.8 0.8 volume=0.290 peak=543 ppm1=1.269 ppm2=1.986
assign ( resid 86 and name HA
)
( resid 86 and name HD1#
) 4.0 0.8 0.8 volume=0.841 peak=213 ppm1=3.457 ppm2=0.810
assign ( resid 59 and name HB
)
( resid 59 and name HN
) 3.7 1.7 0.7 volume=0.442 peak=457 ppm1=1.475 ppm2=7.815
assign ( resid 31 and name HD1#
)
( resid 31 and name HA
) 3.7 0.7 0.7 volume=1.250 peak=88 ppm1=0.557 ppm2=3.492
assign ( resid 48 and name HB2
)
( resid 48 and name HN
) 2.9 0.6 0.6 volume=1.692 peak=148 ppm1=2.108 ppm2=7.702
assign ( resid 59 and name HB
)
( resid 60 and name HN
) 3.7 0.7 0.7 volume=0.422 peak=269 ppm1=1.481 ppm2=7.552
assign ( resid 38 and name HG1#
)
( resid 43 and name HB1
) 4.1 0.8 1.8 volume=0.680 peak=236 ppm1=0.509 ppm2=2.503
assign ( resid 86 and name HG11
)
( resid 86 and name HB
) 3.1 0.6 0.6 volume=1.213 peak=551 ppm1=1.414 ppm2=1.954
assign ( resid 88 and name HG1
)
( resid 87 and name HN
) 3.5 0.7 0.7 volume=0.539 peak=441 ppm1=2.267 ppm2=7.917
assign ( resid 86 and name HB
)
( resid 86 and name HD1#
) 4.8 3.0 1.0 volume=0.255 peak=355 ppm1=1.980 ppm2=0.836
assign ( resid 15 and name HB1
)
( resid 15 and name HG
) 3.2 0.6 0.6 volume=0.944 peak=149 ppm1=1.886 ppm2=0.739
assign ( resid 54 and name HA
)
( resid 54 and name HN
) 3.2 0.6 0.6 volume=1.082 peak=23 ppm1=4.118 ppm2=8.140
assign ( resid 21 and name HB
)
( resid 21 and name HG2#
) 3.6 1.7 0.7 volume=1.581 peak=306 ppm1=4.221 ppm2=1.353
assign ( resid 85 and name HA
)
( resid 85 and name HD2#
) 3.7 0.7 0.7 volume=1.225 peak=284 ppm1=4.052 ppm2=0.797
assign ( resid 35 and name HA
)
( resid 36 and name HN
) 4.7 0.9 0.9 volume=0.094 peak=439 ppm1=3.773 ppm2=8.380
assign ( resid 84 and name HB2
)
( resid 85 and name HN
) 3.4 0.7 0.7 volume=0.759 peak=414 ppm1=2.909 ppm2=7.711
assign ( resid 18 and name HB#
)
( resid 18 and name HA
) 3.2 0.6 0.6 volume=2.734 peak=416 ppm1=1.343 ppm2=3.773
assign ( resid 16 and name HD2
)
( resid 30 and name HB1
) 3.5 0.7 1.7 volume=0.630 peak=196 ppm1=1.712 ppm2=2.662
assign ( resid 5 and name HA
)
( resid 7 and name HN
) 3.9 0.8 0.8 volume=0.296 peak=179 ppm1=3.706 ppm2=8.724
assign ( resid 86 and name HG2#
)
( resid 88 and name HG1
) 5.3 1.1 1.1 volume=0.142 peak=304 ppm1=-0.497 ppm2=2.240
assign ( resid 89 and name HG
)
( resid 89 and name HB2
) 3.2 0.6 0.6 volume=0.914 peak=401 ppm1=0.634 ppm2=1.241
assign ( resid 110 and name HG
)
( resid 109 and name HD1#
) 3.6 0.7 0.7 volume=1.562 peak=522 ppm1=1.471 ppm2=0.786
assign ( resid 109 and name HB
)
( resid 109 and name HN
) 4.1 0.8 0.8 volume=0.223 peak=95 ppm1=1.807 ppm2=8.115
assign ( resid 102 and name HA
)
( resid 102 and name HB#
) 3.6 1.7 0.7 volume=1.425 peak=56 ppm1=4.003 ppm2=1.306
assign ( resid 53 and name HA
)
( resid 53 and name HB
) 3.2 0.6 0.6 volume=0.912 peak=291 ppm1=4.142 ppm2=1.938
assign ( resid 80 and name HB1
)
( resid 80 and name HA
) 3.4 0.7 0.7 volume=0.709 peak=194 ppm1=2.978 ppm2=4.461
assign ( resid 31 and name HA
)
( resid 34 and name HN
) 3.9 0.8 0.8 volume=0.327 peak=406 ppm1=3.485 ppm2=7.801
assign ( resid 24 and name HA
)
( resid 25 and name HN
) 2.9 0.6 0.6 volume=1.684 peak=365 ppm1=4.040 ppm2=8.653
assign ( resid 109 and name HA
)
( resid 109 and name HG2#
) 3.4 0.7 0.7 volume=2.009 peak=240 ppm1=4.040 ppm2=0.839
assign ( resid 85 and name HG
)
( resid 19 and name HD2#
) 3.7 0.7 0.7 volume=1.166 peak=379 ppm1=1.752 ppm2=0.638
assign ( resid 99 and name HA
)
( resid 98 and name HN
) 4.4 0.9 0.9 volume=0.147 peak=98 ppm1=3.451 ppm2=8.319
assign ( resid 109 and name HA
)
( resid 109 and name HG11
) 3.4 0.7 0.7 volume=0.673 peak=317 ppm1=4.051 ppm2=1.120
assign ( resid 113 and name HB2
)
( resid 113 and name HN
) 3.4 0.7 0.7 volume=0.689 peak=243 ppm1=2.736 ppm2=7.956
assign ( resid 101 and name HB#
)
( resid 99 and name HN
) 3.2 0.6 1.6 volume=2.761 peak=335 ppm1=1.409 ppm2=7.897
assign ( resid 38 and name HB
)
( resid 39 and name HN
) 3.7 0.7 0.7 volume=0.420 peak=556 ppm1=2.291 ppm2=7.565
assign ( resid 90 and name HA
)
( resid 90 and name HB
) 3.6 0.7 0.7 volume=0.471 peak=316 ppm1=3.354 ppm2=1.626
assign ( resid 65 and name HB1
)
( resid 64 and name HA
) 3.6 0.7 1.9 volume=0.508 peak=409 ppm1=2.791 ppm2=3.925
assign ( resid 72 and name HB1
)
( resid 73 and name HN
) 4.6 0.9 0.9 volume=0.109 peak=266 ppm1=2.483 ppm2=8.588
assign ( resid 67 and name HB2
)
( resid 68 and name HA
) 3.8 0.8 1.8 volume=0.381 peak=460 ppm1=3.254 ppm2=4.377
assign ( resid 32 and name HA
)
( resid 33 and name HN
) 3.9 0.8 0.8 volume=0.299 peak=220 ppm1=3.605 ppm2=7.136
assign ( resid 21 and name HG2#
)
( resid 21 and name HN
) 3.6 1.7 0.7 volume=1.488 peak=62 ppm1=1.357 ppm2=7.839
assign ( resid 123 and name HA
)
( resid 123 and name HB2
) 2.5 0.5 0.5 volume=3.918 peak=276 ppm1=4.594 ppm2=3.116
assign ( resid 101 and name HB#
)
( resid 101 and name HA
) 3.0 0.6 0.6 volume=4.404 peak=39 ppm1=1.410 ppm2=4.211
assign ( resid 16 and name HB2
)
( resid 17 and name HA
) 3.1 0.6 2.6 volume=1.214 peak=521 ppm1=1.763 ppm2=3.864
assign ( resid 50 and name HB
)
( resid 48 and name HB2
) 4.4 0.9 0.9 volume=0.142 peak=121 ppm1=3.498 ppm2=2.183
assign ( resid 16 and name HA
)
( resid 24 and name HG1#
) 4.3 0.9 0.9 volume=0.510 peak=73 ppm1=3.735 ppm2=0.961
assign ( resid 98 and name HA
)
( resid 99 and name HN
) 3.1 0.6 0.6 volume=1.243 peak=188 ppm1=3.958 ppm2=7.877
assign ( resid 14 and name HA
)
( resid 13 and name HN
) 4.4 0.9 0.9 volume=0.153 peak=145 ppm1=3.669 ppm2=8.365
assign ( resid 90 and name HG12
)
( resid 90 and name HG2#
) 4.0 1.8 0.8 volume=0.804 peak=166 ppm1=1.616 ppm2=0.603
assign ( resid 15 and name HD1#
)
( resid 15 and name HG
) 3.2 0.6 0.6 volume=2.975 peak=277 ppm1=0.341 ppm2=0.708
assign ( resid 59 and name HA
)
( resid 59 and name HG1#
) 4.1 0.8 0.8 volume=0.637 peak=235 ppm1=3.671 ppm2=-0.417
assign ( resid 19 and name HD2#
)
( resid 18 and name HB#
) 4.3 0.9 0.9 volume=1.560 peak=368 ppm1=0.633 ppm2=1.393
assign ( resid 118 and name HG
)
( resid 118 and name HB2
) 2.7 0.5 0.5 volume=2.846 peak=86 ppm1=0.848 ppm2=1.562
assign ( resid 50 and name HA
)
( resid 50 and name HG2#
) 3.8 0.8 0.8 volume=1.014 peak=180 ppm1=4.247 ppm2=1.108
assign ( resid 86 and name HB
)
( resid 89 and name HB2
) 3.3 0.7 2.7 volume=0.818 peak=168 ppm1=1.985 ppm2=1.282
assign ( resid 78 and name HB
)
( resid 78 and name HG2#
) 3.7 2.7 0.7 volume=1.275 peak=181 ppm1=3.875 ppm2=1.125
assign ( resid 74 and name HB1
)
( resid 74 and name HG1
) 3.2 0.6 0.6 volume=0.939 peak=113 ppm1=1.610 ppm2=1.300
assign ( resid 59 and name HA
)
( resid 59 and name HG2#
) 4.0 2.8 0.8 volume=0.737 peak=443 ppm1=3.671 ppm2=0.445
assign ( resid 39 and name HA
)
( resid 39 and name HD1
) 3.2 0.6 1.8 volume=0.948 peak=226 ppm1=3.471 ppm2=1.614
assign ( resid 86 and name HG2#
)
( resid 86 and name HN
) 4.3 0.9 0.9 volume=0.535 peak=528 ppm1=-0.496 ppm2=7.923
assign ( resid 69 and name HG1
)
( resid 70 and name HA
) 3.4 0.7 1.7 volume=0.750 peak=173 ppm1=0.309 ppm2=4.670
assign ( resid 86 and name HA
)
( resid 85 and name HG
) 3.6 0.7 0.7 volume=0.459 peak=419 ppm1=3.465 ppm2=1.748
assign ( resid 76 and name HD2
)
( resid 75 and name HA
) 3.4 0.7 0.7 volume=0.648 peak=475 ppm1=2.717 ppm2=4.426
assign ( resid 31 and name HD1#
)
( resid 16 and name HD2
) 4.3 0.9 0.9 volume=0.492 peak=360 ppm1=0.560 ppm2=1.753
assign ( resid 19 and name HB1
)
( resid 19 and name HA
) 3.5 0.7 0.7 volume=0.588 peak=76 ppm1=1.702 ppm2=3.696
assign ( resid 19 and name HG
)
( resid 19 and name HA
) 3.0 0.6 0.6 volume=1.394 peak=303 ppm1=0.740 ppm2=3.760
assign ( resid 69 and name HA
)
( resid 70 and name HA
) 3.7 0.7 0.7 volume=0.439 peak=9 ppm1=3.874 ppm2=4.688
assign ( resid 75 and name HA
)
( resid 75 and name HG2#
) 4.6 2.9 0.9 volume=0.353 peak=465 ppm1=4.388 ppm2=0.490
assign ( resid 37 and name HN
)
( resid 38 and name HA
) 3.6 0.7 1.7 volume=0.528 peak=30 ppm1=7.865 ppm2=3.158
assign ( resid 56 and name HN
)
( resid 56 and name HB2
) 3.4 1.7 0.7 volume=0.731 peak=60 ppm1=8.915 ppm2=3.288
assign ( resid 70 and name HN
)
( resid 71 and name HN
) 3.8 1.8 0.8 volume=0.385 peak=11 ppm1=8.582 ppm2=7.902
assign ( resid 23 and name HN
)
( resid 22 and name HN
) 3.3 0.7 0.7 volume=0.829 peak=52 ppm1=7.882 ppm2=7.323
assign ( resid 63 and name HN
)
( resid 64 and name HB2
) 2.8 0.6 2.6 volume=2.422 peak=66 ppm1=8.511 ppm2=1.998
assign ( resid 56 and name HN
)
( resid 55 and name HA
) 3.6 0.7 0.7 volume=0.495 peak=26 ppm1=8.938 ppm2=4.424
assign ( resid 27 and name HN
)
( resid 26 and name HA
) 3.1 0.6 0.6 volume=1.292 peak=20 ppm1=8.601 ppm2=4.139
assign ( resid 114 and name HN
)
( resid 114 and name HB1
) 3.3 0.7 0.7 volume=0.788 peak=35 ppm1=7.955 ppm2=3.884
assign ( resid 44 and name HN
)
( resid 43 and name HA
) 3.9 0.8 0.8 volume=0.312 peak=51 ppm1=6.617 ppm2=4.299
assign ( resid 20 and name HN
)
( resid 19 and name HB1
) 2.9 0.6 0.6 volume=1.888 peak=15 ppm1=8.350 ppm2=1.719
assign ( resid 78 and name HN
)
( resid 78 and name HG2#
) 4.2 2.8 0.8 volume=0.612 peak=37 ppm1=7.384 ppm2=1.069
assign ( resid 56 and name HN
)
( resid 55 and name HB2
) 3.8 0.8 0.8 volume=0.383 peak=31 ppm1=8.936 ppm2=2.813
assign ( resid 22 and name HN
)
( resid 22 and name HB1
) 3.5 0.7 0.7 volume=0.603 peak=67 ppm1=7.340 ppm2=2.164
assign ( resid 53 and name HN
)
( resid 54 and name HN
) 3.3 0.7 0.7 volume=0.787 peak=42 ppm1=8.822 ppm2=8.114
assign ( resid 52 and name HN
)
( resid 51 and name HD1#
) 4.5 0.9 0.9 volume=0.394 peak=10 ppm1=7.161 ppm2=0.565
assign ( resid 34 and name HN
)
( resid 33 and name HB2
) 3.6 0.7 0.7 volume=0.514 peak=46 ppm1=7.749 ppm2=1.926
assign ( resid 34 and name HN
)
( resid 34 and name HB2
) 3.4 1.7 0.7 volume=0.687 peak=1 ppm1=7.739 ppm2=3.151
assign ( resid 10 and name HN
)
( resid 9 and name HA
) 3.8 0.8 0.8 volume=0.378 peak=32 ppm1=8.910 ppm2=4.032
assign ( resid 10 and name HN
)
( resid 9 and name HB2
) 3.4 0.7 0.7 volume=0.712 peak=71 ppm1=8.917 ppm2=1.969
assign ( resid 53 and name HN
)
( resid 53 and name HB
) 4.0 1.8 0.8 volume=0.271 peak=68 ppm1=8.809 ppm2=1.933
assign ( resid 56 and name HN
)
( resid 55 and name HN
) 3.3 0.7 0.7 volume=0.879 peak=14 ppm1=8.928 ppm2=9.188
assign ( resid 63 and name HN
)
( resid 64 and name HB1
) 3.2 0.6 1.6 volume=0.930 peak=33 ppm1=8.525 ppm2=2.275
assign ( resid 73 and name HN
)
( resid 74 and name HD1
) 3.2 0.6 0.6 volume=1.055 peak=34 ppm1=8.586 ppm2=1.966
assign ( resid 47 and name HN
)
( resid 46 and name HG1
) 3.0 0.6 1.6 volume=1.444 peak=4 ppm1=6.535 ppm2=2.059
assign ( resid 7 and name HN
)
( resid 6 and name HA
) 3.5 0.7 1.7 volume=0.552 peak=50 ppm1=8.714 ppm2=4.132
assign ( resid 63 and name HN
)
( resid 63 and name HA
) 3.6 2.7 0.7 volume=0.531 peak=16 ppm1=8.537 ppm2=4.134
assign ( resid 60 and name HN
)
( resid 62 and name HN
) 3.6 0.7 0.7 volume=0.463 peak=61 ppm1=7.515 ppm2=7.921
assign ( resid 30 and name HN
)
( resid 30 and name HB1
) 3.1 0.6 0.6 volume=1.144 peak=8 ppm1=6.891 ppm2=2.701
assign ( resid 68 and name HN
)
( resid 68 and name HB1
) 3.7 1.7 0.7 volume=0.401 peak=62 ppm1=8.791 ppm2=3.060
assign ( resid 86 and name HN
)
( resid 85 and name HG
) 3.4 0.7 0.7 volume=0.689 peak=13 ppm1=7.964 ppm2=1.825
assign ( resid 98 and name HN
)
( resid 98 and name HA
) 3.6 0.7 0.7 volume=0.535 peak=55 ppm1=8.362 ppm2=3.971
assign ( resid 30 and name HN
)
( resid 31 and name HN
) 3.3 0.7 0.7 volume=0.804 peak=53 ppm1=6.899 ppm2=7.540
assign ( resid 49 and name HN
)
( resid 50 and name HN
) 3.5 0.7 0.7 volume=0.627 peak=36 ppm1=7.276 ppm2=7.603
assign ( resid 71 and name HN
)
( resid 70 and name HN
) 3.4 0.7 0.7 volume=0.651 peak=59 ppm1=7.867 ppm2=8.515
assign ( resid 55 and name HN
)
( resid 53 and name HB
) 3.7 0.7 1.7 volume=0.407 peak=56 ppm1=9.175 ppm2=2.023
assign ( resid 73 and name HN
)
( resid 74 and name HN
) 3.7 1.7 0.7 volume=0.412 peak=41 ppm1=8.583 ppm2=7.464
assign ( resid 57 and name HN
)
( resid 57 and name HB2
) 3.4 0.7 0.7 volume=0.742 peak=48 ppm1=9.132 ppm2=2.172
assign ( resid 25 and name HN
)
( resid 24 and name HA
) 3.3 0.7 0.7 volume=0.785 peak=21 ppm1=8.680 ppm2=3.978
assign ( resid 23 and name HN
)
( resid 23 and name HA2
) 3.2 0.6 0.6 volume=1.092 peak=7 ppm1=7.881 ppm2=3.820
assign ( resid 30 and name HN
)
( resid 29 and name HB#
) 4.4 2.9 0.9 volume=0.467 peak=22 ppm1=6.888 ppm2=1.221
assign ( resid 78 and name HN
)
( resid 78 and name HB
) 3.7 0.7 0.7 volume=0.436 peak=47 ppm1=7.385 ppm2=3.912
assign ( resid 103 and name HN
)
( resid 103 and name HG2#
) 4.0 1.8 0.8 volume=0.748 peak=39 ppm1=8.836 ppm2=0.812
assign ( resid 49 and name HN
)
( resid 50 and name HB
) 3.7 0.7 0.7 volume=0.417 peak=23 ppm1=7.277 ppm2=3.527
assign ( resid 68 and name HN
)
( resid 67 and name HB2
) 3.9 0.8 0.8 volume=0.300 peak=69 ppm1=8.791 ppm2=3.391
assign ( resid 118 and name HN
)
( resid 118 and name HA
) 2.4 0.5 0.5 volume=5.506 peak=40 ppm1=8.088 ppm2=4.184
assign ( resid 71 and name HN
)
( resid 71 and name HA2
) 3.5 0.7 0.7 volume=0.571 peak=49 ppm1=7.863 ppm2=3.502
assign ( resid 6 and name HN
)
( resid 7 and name HA
) 3.3 0.7 2.7 volume=0.885 peak=43 ppm1=8.218 ppm2=4.026
assign ( resid 49 and name HN
)
( resid 48 and name HB2
) 3.9 0.8 0.8 volume=0.329 peak=5 ppm1=7.291 ppm2=2.111
assign ( resid 74 and name HN
)
( resid 73 and name HB1
) 2.9 0.6 0.6 volume=1.739 peak=9 ppm1=7.498 ppm2=1.990
assign ( resid 114 and name HN
)
( resid 113 and name HA
) 2.9 0.6 0.6 volume=1.895 peak=2 ppm1=7.957 ppm2=4.675
assign ( resid 27 and name HN
)
( resid 26 and name HB
) 3.2 0.6 1.6 volume=1.062 peak=24 ppm1=8.607 ppm2=1.725
assign ( resid 24 and name HN
)
( resid 24 and name HG1#
) 4.5 0.9 0.9 volume=0.394 peak=54 ppm1=7.418 ppm2=0.838
assign ( resid 98 and name HN
)
( resid 99 and name HN
) 3.4 0.7 0.7 volume=0.727 peak=64 ppm1=8.391 ppm2=7.819
assign ( resid 48 and name HN
)
( resid 47 and name HB1
) 3.4 0.7 0.7 volume=0.686 peak=6 ppm1=7.703 ppm2=2.108
assign ( resid 53 and name HN
)
( resid 52 and name HA
) 3.8 1.8 0.8 volume=0.376 peak=17 ppm1=8.756 ppm2=4.631
assign ( resid 7 and name HN
)
( resid 7 and name HB2
) 2.9 0.6 0.6 volume=1.642 peak=58 ppm1=8.707 ppm2=1.994
assign ( resid 27 and name HN
)
( resid 26 and name HG1#
) 4.5 0.9 0.9 volume=0.393 peak=19 ppm1=8.600 ppm2=0.726
assign ( resid 67 and name HN
)
( resid 66 and name HB1
) 3.7 0.7 0.7 volume=0.426 peak=65 ppm1=9.073 ppm2=3.215
assign ( resid 48 and name HN
)
( resid 48 and name HA
) 4.0 0.8 0.8 volume=0.282 peak=12 ppm1=7.705 ppm2=4.068
assign ( resid 31 and name HN
)
( resid 30 and name HB1
) 3.3 0.7 0.7 volume=0.858 peak=3 ppm1=7.501 ppm2=2.664
assign ( resid 116 and name HN
)
( resid 116 and name HA
) 2.9 0.6 0.6 volume=1.668 peak=45 ppm1=8.058 ppm2=4.264
assign ( resid 24 and name HN
)
( resid 23 and name HA2
) 3.9 0.8 0.8 volume=0.317 peak=44 ppm1=7.426 ppm2=3.849
assign ( resid 63 and name HN
)
( resid 64 and name HA
) 3.2 0.6 2.6 volume=0.952 peak=38 ppm1=8.523 ppm2=3.881
assign ( resid 30 and name HN
)
( resid 30 and name HA
) 3.8 0.8 0.8 volume=0.382 peak=18 ppm1=6.897 ppm2=4.359
assign ( resid 74 and name HN
)
( resid 74 and name HB1
) 3.2 0.6 0.6 volume=0.920 peak=29 ppm1=7.483 ppm2=1.596
assign ( resid 69 and name HN
)
( resid 69 and name HA
) 2.5 0.5 0.5 volume=4.829 peak=28 ppm1=7.979 ppm2=3.931
assign ( resid 47 and name HN
)
( resid 47 and name HA
) 3.6 0.7 0.7 volume=0.490 peak=27 ppm1=6.541 ppm2=3.935
assign ( resid 24 and name HN
)
( resid 24 and name HB
) 3.8 2.8 0.8 volume=0.339 peak=63 ppm1=7.402 ppm2=1.965
assign ( resid 52 and name HN
)
( resid 53 and name HA
) 3.2 0.6 2.6 volume=1.012 peak=57 ppm1=7.173 ppm2=4.103
Contact the webmaster for help, if required. Friday, May 17, 2024 2:55:58 PM GMT (wattos1)