Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
605452 | 5ldl RC | 34015 | cing | 1-original | 2 | XPLOR/CNS | distance | NOE | simple |
assign ( resid 76 and name HD1
)
( resid 75 and name HA
) 2.3 0.4 0.4 volume=1.358 peak=594 ppm1=3.319 ppm2=4.254
assign ( resid 76 and name HA
)
( resid 78 and name HB
) 4.5 0.9 0.9 volume=0.121 peak=857 ppm1=4.552 ppm2=1.433
assign ( resid 25 and name HA
)
( resid 25 and name HE1
) 4.8 0.4 0.4 volume=0.888 peak=865 ppm1=4.335 ppm2=2.838
assign ( resid 19 and name HA
)
( resid 19 and name HD1#
) 3.5 0.7 0.7 volume=1.654 peak=763 ppm1=3.768 ppm2=0.616
assign ( resid 97 and name HA
)
( resid 97 and name HG1
) 3.9 0.4 0.4 volume=0.435 peak=94 ppm1=4.360 ppm2=1.924
assign ( resid 90 and name HA
)
( resid 99 and name HG2#
) 4.8 0.4 0.4 volume=0.272 peak=813 ppm1=3.412 ppm2=0.841
assign ( resid 90 and name HB
)
( resid 90 and name HN
) 3.9 1.8 0.8 volume=0.313 peak=414 ppm1=1.331 ppm2=7.756
assign ( resid 33 and name HB2
)
( resid 34 and name HN
) 3.4 0.4 0.4 volume=0.543 peak=1022 ppm1=1.882 ppm2=7.601
assign ( resid 119 and name HG1
)
( resid 118 and name HB2
) 5.0 0.4 0.4 volume=0.071 peak=81 ppm1=2.053 ppm2=1.520
assign ( resid 101 and name HB#
)
( resid 101 and name HN
) 2.7 0.6 0.6 volume=3.377 peak=511 ppm1=1.401 ppm2=7.890
assign ( resid 25 and name HE1
)
( resid 26 and name HA
) 4.6 0.7 0.5 volume=0.532 peak=576 ppm1=2.928 ppm2=4.101
assign ( resid 99 and name HG1#
)
( resid 103 and name HG2#
) 3.6 0.7 0.7 volume=4.796 peak=482 ppm1=0.826 ppm2=1.020
assign ( resid 9 and name HB2
)
( resid 9 and name HG1
) 2.3 0.6 0.9 volume=12.911 peak=1068 ppm1=2.031 ppm2=2.270
assign ( resid 9 and name HB2
)
( resid 10 and name HN
) 3.3 0.7 0.7 volume=0.878 peak=899 ppm1=2.036 ppm2=8.910
assign ( resid 12 and name HB
)
( resid 13 and name HA
) 4.6 0.5 0.5 volume=0.502 peak=444 ppm1=2.061 ppm2=4.200
assign ( resid 93 and name HD1
)
( resid 93 and name HB2
) 2.8 0.5 1.0 volume=4.787 peak=890 ppm1=1.703 ppm2=1.977
assign ( resid 45 and name HA
)
( resid 45 and name HB1
) 3.9 1.8 0.8 volume=0.292 peak=542 ppm1=3.996 ppm2=2.494
assign ( resid 113 and name HA
)
( resid 111 and name HE1
) 5.0 0.4 0.5 volume=0.196 peak=694 ppm1=4.586 ppm2=2.912
assign ( resid 24 and name HG1#
)
( resid 24 and name HB
) 2.3 0.4 0.4 volume=4.477 peak=513 ppm1=0.835 ppm2=1.960
assign ( resid 40 and name HB1
)
( resid 43 and name HD1
) 5.5 0.4 0.4 volume=0.437 peak=948 ppm1=2.614 ppm2=3.934
assign ( resid 85 and name HD2#
)
( resid 19 and name HD2#
) 3.5 0.5 0.5 volume=2.418 peak=588 ppm1=0.786 ppm2=0.585
assign ( resid 111 and name HA
)
( resid 111 and name HB1
) 2.4 0.3 0.3 volume=1.026 peak=867 ppm1=4.261 ppm2=1.699
assign ( resid 65 and name HB1
)
( resid 66 and name HB1
) 4.2 0.8 0.8 volume=0.194 peak=319 ppm1=2.775 ppm2=3.370
assign ( resid 59 and name HA
)
( resid 59 and name HB
) 3.9 0.8 0.8 volume=0.321 peak=433 ppm1=3.757 ppm2=1.580
assign ( resid 86 and name HG2#
)
( resid 52 and name HN
) 5.1 1.0 1.0 volume=0.186 peak=920 ppm1=-0.534 ppm2=7.106
assign ( resid 95 and name HG2#
)
( resid 95 and name HB
) 2.7 0.6 0.6 volume=3.499 peak=70 ppm1=0.513 ppm2=1.054
assign ( resid 59 and name HA
)
( resid 62 and name HN
) 3.7 0.7 0.7 volume=0.440 peak=127 ppm1=3.759 ppm2=7.914
assign ( resid 90 and name HD1#
)
( resid 51 and name HG12
) 4.1 0.8 0.8 volume=0.643 peak=521 ppm1=0.235 ppm2=1.271
assign ( resid 101 and name HB#
)
( resid 98 and name HB1
) 3.7 0.7 0.7 volume=1.247 peak=285 ppm1=1.397 ppm2=2.128
assign ( resid 72 and name HD2
)
( resid 73 and name HN
) 4.7 0.8 0.8 volume=0.216 peak=570 ppm1=3.284 ppm2=8.599
assign ( resid 102 and name HA
)
( resid 102 and name HN
) 2.8 0.3 0.3 volume=0.424 peak=466 ppm1=3.996 ppm2=7.554
assign ( resid 38 and name HA
)
( resid 38 and name HB
) 3.1 0.8 0.8 volume=0.218 peak=991 ppm1=3.056 ppm2=2.231
assign ( resid 106 and name HB
)
( resid 107 and name HN
) 3.1 0.4 0.4 volume=0.285 peak=935 ppm1=4.214 ppm2=1.896
assign ( resid 95 and name HG2#
)
( resid 94 and name HB1
) 4.8 0.8 0.8 volume=2.642 peak=739 ppm1=0.509 ppm2=2.235
assign ( resid 108 and name HA
)
( resid 103 and name HG1#
) 5.2 0.4 0.4 volume=0.427 peak=462 ppm1=4.159 ppm2=0.766
assign ( resid 53 and name HB
)
( resid 56 and name HB1
) 5.8 0.4 0.4 volume=0.243 peak=556 ppm1=1.915 ppm2=3.338
assign ( resid 41 and name HG2#
)
( resid 42 and name HN
) 3.5 1.0 1.0 volume=0.243 peak=166 ppm1=0.718 ppm2=7.271
assign ( resid 101 and name HB#
)
( resid 103 and name HG2#
) 7.1 1.4 0.9 volume=0.079 peak=428 ppm1=1.399 ppm2=0.916
assign ( resid 59 and name HA
)
( resid 59 and name HG2#
) 4.0 1.8 0.8 volume=0.832 peak=951 ppm1=3.757 ppm2=0.451
assign ( resid 86 and name HB
)
( resid 86 and name HG2#
) 3.0 0.9 0.5 volume=0.350 peak=90 ppm1=1.910 ppm2=-0.519
assign ( resid 88 and name HA
)
( resid 88 and name HB1
) 2.6 0.5 0.5 volume=3.789 peak=918 ppm1=3.850 ppm2=2.010
assign ( resid 108 and name HG1
)
( resid 108 and name HB1
) 2.6 0.5 0.5 volume=3.350 peak=250 ppm1=2.141 ppm2=1.839
assign ( resid 25 and name HE1
)
( resid 25 and name HA
) 4.8 0.4 0.4 volume=0.785 peak=707 ppm1=2.932 ppm2=4.420
assign ( resid 43 and name HD1
)
( resid 43 and name HG2
) 2.9 0.6 0.6 volume=1.929 peak=621 ppm1=3.878 ppm2=2.044
assign ( resid 101 and name HA
)
( resid 101 and name HN
) 3.3 0.7 0.7 volume=0.846 peak=853 ppm1=4.216 ppm2=7.907
assign ( resid 64 and name HB1
)
( resid 65 and name HN
) 2.3 0.4 0.4 volume=1.256 peak=677 ppm1=2.155 ppm2=8.338
assign ( resid 117 and name HA
)
( resid 119 and name HG1
) 3.2 0.4 0.4 volume=0.456 peak=579 ppm1=4.568 ppm2=2.098
assign ( resid 33 and name HA
)
( resid 33 and name HN
) 3.5 0.7 0.7 volume=0.600 peak=826 ppm1=4.220 ppm2=7.156
assign ( resid 86 and name HD1#
)
( resid 86 and name HN
) 3.2 0.8 0.8 volume=0.592 peak=1002 ppm1=0.782 ppm2=7.850
assign ( resid 69 and name HG1
)
( resid 66 and name HB2
) 5.8 0.4 0.3 volume=0.130 peak=463 ppm1=0.246 ppm2=3.315
assign ( resid 111 and name HB1
)
( resid 111 and name HG1
) 2.8 0.6 0.6 volume=2.116 peak=732 ppm1=1.713 ppm2=1.350
assign ( resid 38 and name HG2#
)
( resid 37 and name HA
) 4.5 0.8 0.8 volume=0.620 peak=580 ppm1=0.649 ppm2=4.280
assign ( resid 99 and name HG1#
)
( resid 97 and name HD2
) 4.5 0.7 0.7 volume=2.845 peak=1066 ppm1=0.824 ppm2=3.692
assign ( resid 19 and name HD1#
)
( resid 15 and name HN
) 5.6 0.4 0.4 volume=0.333 peak=34 ppm1=0.602 ppm2=8.406
assign ( resid 70 and name HA
)
( resid 69 and name HB
) 4.3 0.9 0.9 volume=0.182 peak=4 ppm1=4.558 ppm2=3.520
assign ( resid 93 and name HE1
)
( resid 93 and name HB1
) 4.1 0.4 0.4 volume=0.543 peak=939 ppm1=2.972 ppm2=2.014
assign ( resid 14 and name HB2
)
( resid 14 and name HG2
) 3.2 0.6 0.6 volume=1.065 peak=393 ppm1=2.195 ppm2=2.566
assign ( resid 30 and name HB2
)
( resid 31 and name HN
) 3.8 0.8 0.8 volume=0.368 peak=1025 ppm1=2.729 ppm2=7.397
assign ( resid 88 and name HA
)
( resid 90 and name HG2#
) 4.0 0.4 0.4 volume=0.390 peak=760 ppm1=3.860 ppm2=0.370
assign ( resid 33 and name HA
)
( resid 33 and name HB2
) 3.0 0.6 0.6 volume=1.544 peak=777 ppm1=4.210 ppm2=1.906
assign ( resid 6 and name HA
)
( resid 9 and name HN
) 3.8 0.8 0.8 volume=0.354 peak=803 ppm1=4.084 ppm2=7.648
assign ( resid 25 and name HA
)
( resid 25 and name HD2
) 4.6 0.4 0.4 volume=2.028 peak=1047 ppm1=4.318 ppm2=1.683
assign ( resid 5 and name HA
)
( resid 5 and name HB1
) 3.1 0.6 0.6 volume=1.306 peak=171 ppm1=3.700 ppm2=1.325
assign ( resid 53 and name HG2#
)
( resid 53 and name HA
) 3.0 0.7 0.7 volume=1.664 peak=701 ppm1=1.052 ppm2=4.115
assign ( resid 46 and name HD2
)
( resid 47 and name HG1
) 3.9 0.8 0.8 volume=0.303 peak=57 ppm1=3.633 ppm2=2.412
assign ( resid 59 and name HG1#
)
( resid 56 and name HA
) 4.5 0.9 0.9 volume=0.380 peak=54 ppm1=-0.332 ppm2=4.724
assign ( resid 47 and name HA
)
( resid 47 and name HN
) 3.5 0.7 0.7 volume=0.614 peak=728 ppm1=3.932 ppm2=6.510
assign ( resid 59 and name HG1#
)
( resid 60 and name HA1
) 5.6 1.1 1.1 volume=0.107 peak=866 ppm1=-0.341 ppm2=4.065
assign ( resid 87 and name HD1
)
( resid 88 and name HN
) 2.8 0.4 0.4 volume=0.467 peak=484 ppm1=1.563 ppm2=7.831
assign ( resid 117 and name HA
)
( resid 117 and name HN
) 4.1 1.8 0.8 volume=0.241 peak=173 ppm1=4.574 ppm2=8.308
assign ( resid 119 and name HA
)
( resid 119 and name HN
) 2.3 0.4 0.4 volume=1.122 peak=69 ppm1=4.071 ppm2=8.130
assign ( resid 35 and name HA
)
( resid 38 and name HN
) 4.0 0.8 0.8 volume=0.251 peak=883 ppm1=3.781 ppm2=8.784
assign ( resid 24 and name HA
)
( resid 24 and name HN
) 2.8 0.3 0.3 volume=0.679 peak=7 ppm1=4.007 ppm2=7.333
assign ( resid 12 and name HA
)
( resid 12 and name HG2#
) 2.8 0.8 0.8 volume=0.802 peak=2 ppm1=3.095 ppm2=1.090
assign ( resid 50 and name HB
)
( resid 50 and name HN
) 3.9 0.8 0.8 volume=0.324 peak=89 ppm1=3.493 ppm2=7.575
assign ( resid 18 and name HB#
)
( resid 19 and name HN
) 2.5 0.3 0.4 volume=2.412 peak=1080 ppm1=1.327 ppm2=8.099
assign ( resid 14 and name HG2
)
( resid 14 and name HA
) 4.1 1.8 0.8 volume=0.237 peak=151 ppm1=2.559 ppm2=3.660
assign ( resid 33 and name HB1
)
( resid 37 and name HB2
) 4.6 1.4 0.9 volume=0.118 peak=779 ppm1=1.894 ppm2=2.779
assign ( resid 16 and name HD2
)
( resid 26 and name HG2#
) 5.5 0.4 0.4 volume=1.784 peak=963 ppm1=1.763 ppm2=0.799
assign ( resid 47 and name HG2
)
( resid 47 and name HN
) 2.5 0.7 0.7 volume=0.591 peak=56 ppm1=2.451 ppm2=6.522
assign ( resid 50 and name HA
)
( resid 98 and name HB1
) 3.8 0.4 0.4 volume=0.647 peak=248 ppm1=4.243 ppm2=2.192
assign ( resid 73 and name HB1
)
( resid 72 and name HA
) 4.9 0.4 0.4 volume=0.570 peak=968 ppm1=1.986 ppm2=4.661
assign ( resid 98 and name HA
)
( resid 97 and name HB1
) 5.7 0.4 0.4 volume=1.986 peak=412 ppm1=3.918 ppm2=1.782
assign ( resid 116 and name HB
)
( resid 115 and name HB1
) 5.3 0.4 0.4 volume=0.178 peak=823 ppm1=4.138 ppm2=1.853
assign ( resid 12 and name HA
)
( resid 12 and name HN
) 2.7 0.3 0.3 volume=0.340 peak=746 ppm1=3.095 ppm2=8.044
assign ( resid 14 and name HA
)
( resid 14 and name HB1
) 2.8 0.6 0.6 volume=1.014 peak=244 ppm1=3.655 ppm2=1.849
assign ( resid 14 and name HA
)
( resid 17 and name HN
) 3.5 0.7 0.7 volume=0.591 peak=1045 ppm1=3.645 ppm2=7.883
assign ( resid 7 and name HB1
)
( resid 10 and name HN
) 5.0 0.7 1.0 volume=0.547 peak=607 ppm1=2.052 ppm2=8.967
assign ( resid 72 and name HG2
)
( resid 73 and name HA
) 4.7 0.5 0.8 volume=2.813 peak=916 ppm1=2.018 ppm2=3.874
assign ( resid 53 and name HG2#
)
( resid 52 and name HA
) 4.7 0.8 0.8 volume=0.636 peak=879 ppm1=1.042 ppm2=4.658
assign ( resid 88 and name HG1
)
( resid 85 and name HA
) 4.2 0.4 0.4 volume=1.508 peak=1015 ppm1=2.248 ppm2=4.095
assign ( resid 111 and name HD1
)
( resid 111 and name HA
) 3.5 0.7 1.5 volume=0.783 peak=21 ppm1=1.537 ppm2=4.156
assign ( resid 119 and name HG1
)
( resid 118 and name HN
) 4.0 0.4 0.4 volume=0.384 peak=64 ppm1=2.057 ppm2=8.094
assign ( resid 24 and name HG1#
)
( resid 25 and name HE2
) 5.1 0.4 0.4 volume=1.337 peak=999 ppm1=0.840 ppm2=2.976
assign ( resid 78 and name HG2#
)
( resid 76 and name HB2
) 4.1 0.8 0.8 volume=0.646 peak=170 ppm1=0.606 ppm2=2.234
assign ( resid 9 and name HB2
)
( resid 5 and name HG
) 3.8 0.8 0.8 volume=0.370 peak=291 ppm1=2.034 ppm2=1.025
assign ( resid 74 and name HB1
)
( resid 74 and name HN
) 3.6 0.4 0.4 volume=0.618 peak=731 ppm1=1.949 ppm2=7.460
assign ( resid 25 and name HA
)
( resid 26 and name HN
) 2.6 0.4 0.4 volume=1.641 peak=565 ppm1=4.322 ppm2=7.347
assign ( resid 21 and name HA
)
( resid 21 and name HN
) 3.8 0.8 0.8 volume=0.347 peak=662 ppm1=4.108 ppm2=7.286
assign ( resid 78 and name HD1#
)
( resid 78 and name HA
) 3.7 0.7 0.7 volume=1.250 peak=926 ppm1=0.101 ppm2=3.850
assign ( resid 98 and name HB1
)
( resid 99 and name HG2#
) 4.4 0.9 0.9 volume=0.460 peak=126 ppm1=2.174 ppm2=0.826
assign ( resid 53 and name HB
)
( resid 54 and name HN
) 2.9 0.3 0.4 volume=0.434 peak=419 ppm1=1.920 ppm2=8.093
assign ( resid 31 and name HA
)
( resid 35 and name HB2
) 4.5 0.8 0.8 volume=0.314 peak=660 ppm1=3.545 ppm2=2.969
assign ( resid 76 and name HG1
)
( resid 74 and name HB1
) 4.8 0.3 0.3 volume=0.381 peak=386 ppm1=4.549 ppm2=2.016
assign ( resid 33 and name HB2
)
( resid 29 and name HA
) 4.4 1.9 1.1 volume=0.441 peak=891 ppm1=1.888 ppm2=3.661
assign ( resid 43 and name HD1
)
( resid 43 and name HB2
) 3.7 0.7 0.7 volume=0.429 peak=800 ppm1=3.879 ppm2=2.367
assign ( resid 18 and name HA
)
( resid 15 and name HA
) 5.6 0.4 0.4 volume=1.267 peak=792 ppm1=3.798 ppm2=3.943
assign ( resid 125 and name HB1
)
( resid 124 and name HB2
) 5.4 0.4 0.4 volume=37.907 peak=515 ppm1=3.155 ppm2=3.041
assign ( resid 76 and name HA
)
( resid 77 and name HB
) 4.2 0.8 0.8 volume=0.192 peak=45 ppm1=4.548 ppm2=2.180
assign ( resid 84 and name HB2
)
( resid 82 and name HA
) 5.1 0.8 0.8 volume=0.318 peak=202 ppm1=2.906 ppm2=4.411
assign ( resid 35 and name HB1
)
( resid 39 and name HG1
) 4.7 0.8 0.8 volume=0.308 peak=762 ppm1=2.912 ppm2=1.328
assign ( resid 97 and name HA
)
( resid 98 and name HN
) 2.6 0.4 0.4 volume=0.375 peak=58 ppm1=4.366 ppm2=8.373
assign ( resid 101 and name HB#
)
( resid 100 and name HA
) 4.2 0.8 0.8 volume=0.607 peak=17 ppm1=1.387 ppm2=3.741
assign ( resid 98 and name HA
)
( resid 98 and name HB2
) 2.8 0.6 0.6 volume=2.064 peak=84 ppm1=3.909 ppm2=2.413
assign ( resid 39 and name HA
)
( resid 38 and name HN
) 4.7 0.8 0.8 volume=0.212 peak=313 ppm1=3.454 ppm2=8.327
assign ( resid 80 and name HB1
)
( resid 84 and name HB2
) 5.7 0.4 0.4 volume=3.428 peak=18 ppm1=2.860 ppm2=3.067
assign ( resid 73 and name HB1
)
( resid 74 and name HN
) 3.5 0.4 0.4 volume=1.626 peak=516 ppm1=1.996 ppm2=7.783
assign ( resid 90 and name HG2#
)
( resid 89 and name HA
) 5.1 0.4 0.4 volume=0.939 peak=613 ppm1=0.423 ppm2=3.904
assign ( resid 57 and name HA
)
( resid 57 and name HN
) 3.8 0.8 0.8 volume=0.383 peak=850 ppm1=4.411 ppm2=9.172
assign ( resid 43 and name HG2
)
( resid 44 and name HN
) 4.0 1.5 0.8 volume=0.275 peak=713 ppm1=2.083 ppm2=6.673
assign ( resid 59 and name HG1#
)
( resid 59 and name HB
) 2.6 0.7 0.7 volume=1.603 peak=988 ppm1=-0.335 ppm2=1.507
assign ( resid 33 and name HB1
)
( resid 37 and name HB2
) 4.9 0.4 0.4 volume=0.507 peak=539 ppm1=1.902 ppm2=3.230
assign ( resid 102 and name HB#
)
( resid 103 and name HB
) 4.8 0.4 0.4 volume=0.722 peak=887 ppm1=1.294 ppm2=1.891
assign ( resid 47 and name HB2
)
( resid 49 and name HN
) 4.7 0.5 0.5 volume=0.523 peak=802 ppm1=2.451 ppm2=7.223
assign ( resid 25 and name HE1
)
( resid 25 and name HG1
) 2.7 0.4 0.4 volume=6.870 peak=59 ppm1=2.935 ppm2=1.410
assign ( resid 86 and name HG2#
)
( resid 57 and name HA
) 5.1 0.9 0.9 volume=0.285 peak=227 ppm1=-0.506 ppm2=4.411
assign ( resid 79 and name HA
)
( resid 79 and name HN
) 3.3 0.7 0.7 volume=0.781 peak=490 ppm1=3.891 ppm2=7.947
assign ( resid 78 and name HG2#
)
( resid 82 and name HN
) 4.4 0.9 0.9 volume=0.439 peak=754 ppm1=0.613 ppm2=8.399
assign ( resid 53 and name HA
)
( resid 51 and name HD1#
) 4.9 0.4 0.4 volume=0.634 peak=1060 ppm1=4.129 ppm2=0.616
assign ( resid 117 and name HA
)
( resid 118 and name HN
) 2.9 0.6 0.6 volume=1.664 peak=100 ppm1=4.566 ppm2=8.098
assign ( resid 93 and name HA
)
( resid 93 and name HB1
) 3.8 1.4 0.8 volume=0.386 peak=741 ppm1=4.521 ppm2=2.012
assign ( resid 18 and name HB#
)
( resid 17 and name HN
) 4.0 0.8 0.8 volume=0.823 peak=1054 ppm1=1.330 ppm2=7.871
assign ( resid 87 and name HD1
)
( resid 87 and name HA
) 3.8 1.3 0.8 volume=0.368 peak=338 ppm1=1.563 ppm2=3.278
assign ( resid 24 and name HA
)
( resid 24 and name HN
) 2.8 0.3 0.3 volume=0.718 peak=264 ppm1=4.013 ppm2=7.531
assign ( resid 53 and name HA
)
( resid 56 and name HA
) 5.7 0.4 0.4 volume=0.499 peak=79 ppm1=4.145 ppm2=4.684
assign ( resid 89 and name HA
)
( resid 90 and name HG2#
) 5.1 0.4 0.4 volume=0.844 peak=239 ppm1=3.871 ppm2=0.328
assign ( resid 108 and name HB1
)
( resid 108 and name HN
) 4.1 0.8 0.8 volume=0.223 peak=733 ppm1=1.818 ppm2=7.322
assign ( resid 93 and name HE1
)
( resid 99 and name HB
) 4.5 0.5 0.5 volume=0.279 peak=148 ppm1=4.517 ppm2=0.717
assign ( resid 118 and name HD2#
)
( resid 118 and name HG
) 2.8 0.7 0.7 volume=2.431 peak=872 ppm1=0.767 ppm2=1.535
assign ( resid 3 and name HA
)
( resid 5 and name HB2
) 4.3 0.4 0.4 volume=0.590 peak=856 ppm1=3.867 ppm2=1.455
assign ( resid 111 and name HD1
)
( resid 108 and name HA
) 5.6 0.4 0.4 volume=0.458 peak=168 ppm1=1.715 ppm2=4.131
assign ( resid 86 and name HD1#
)
( resid 85 and name HB1
) 4.1 0.8 0.8 volume=0.633 peak=120 ppm1=0.781 ppm2=1.713
assign ( resid 77 and name HB
)
( resid 76 and name HA
) 3.6 0.7 0.7 volume=0.454 peak=1033 ppm1=2.125 ppm2=4.655
assign ( resid 103 and name HG2#
)
( resid 99 and name HA
) 5.0 0.9 0.9 volume=0.523 peak=413 ppm1=0.996 ppm2=3.407
assign ( resid 114 and name HB1
)
( resid 115 and name HN
) 4.1 0.4 0.4 volume=0.137 peak=639 ppm1=3.807 ppm2=8.185
assign ( resid 14 and name HB1
)
( resid 11 and name HB1
) 5.0 0.8 0.8 volume=0.298 peak=137 ppm1=2.179 ppm2=2.999
assign ( resid 50 and name HG1
)
( resid 50 and name HN
) 4.0 0.8 0.8 volume=0.276 peak=836 ppm1=1.163 ppm2=7.583
assign ( resid 40 and name HB1
)
( resid 41 and name HG12
) 4.1 0.7 0.7 volume=0.388 peak=1082 ppm1=2.633 ppm2=1.000
assign ( resid 101 and name HA
)
( resid 104 and name HN
) 3.6 0.4 0.4 volume=0.341 peak=1029 ppm1=4.208 ppm2=8.366
assign ( resid 12 and name HG2#
)
( resid 9 and name HB1
) 5.6 1.1 1.1 volume=0.110 peak=847 ppm1=1.127 ppm2=1.963
assign ( resid 53 and name HA
)
( resid 52 and name HB1
) 4.7 0.4 0.4 volume=0.157 peak=234 ppm1=4.132 ppm2=2.718
assign ( resid 98 and name HG1
)
( resid 98 and name HB1
) 4.0 1.6 1.0 volume=10.467 peak=545 ppm1=2.341 ppm2=2.100
assign ( resid 53 and name HA
)
( resid 52 and name HB2
) 5.0 0.4 0.4 volume=0.206 peak=136 ppm1=4.135 ppm2=3.057
assign ( resid 46 and name HD2
)
( resid 45 and name HA
) 3.1 0.8 0.8 volume=0.225 peak=644 ppm1=3.631 ppm2=4.000
assign ( resid 15 and name HD1#
)
( resid 86 and name HA
) 5.8 0.4 0.4 volume=0.668 peak=159 ppm1=0.330 ppm2=3.396
assign ( resid 17 and name HG2
)
( resid 16 and name HE1
) 5.7 0.4 0.4 volume=0.371 peak=140 ppm1=2.385 ppm2=2.879
assign ( resid 18 and name HA
)
( resid 21 and name HB
) 4.6 0.7 0.7 volume=0.472 peak=169 ppm1=3.795 ppm2=4.186
assign ( resid 52 and name HA
)
( resid 53 and name HB
) 4.8 0.7 0.7 volume=0.480 peak=123 ppm1=4.604 ppm2=1.873
assign ( resid 90 and name HD1#
)
( resid 90 and name HN
) 4.7 0.9 0.9 volume=0.303 peak=501 ppm1=0.224 ppm2=7.741
assign ( resid 73 and name HB1
)
( resid 73 and name HN
) 2.9 0.6 0.6 volume=1.944 peak=870 ppm1=1.981 ppm2=8.589
assign ( resid 118 and name HD2#
)
( resid 118 and name HA
) 2.8 0.8 0.8 volume=1.132 peak=520 ppm1=0.767 ppm2=4.183
assign ( resid 59 and name HG1#
)
( resid 40 and name HB2
) 4.4 0.4 0.4 volume=0.317 peak=225 ppm1=-0.341 ppm2=2.485
assign ( resid 74 and name HA
)
( resid 75 and name HN
) 2.7 0.4 0.4 volume=0.404 peak=1078 ppm1=4.370 ppm2=7.437
assign ( resid 15 and name HD2#
)
( resid 15 and name HD1#
) 2.9 0.8 0.8 volume=2.911 peak=685 ppm1=0.330 ppm2=0.713
assign ( resid 40 and name HB1
)
( resid 41 and name HB
) 4.4 0.9 0.9 volume=0.140 peak=442 ppm1=2.606 ppm2=1.781
assign ( resid 73 and name HB1
)
( resid 74 and name HA
) 4.0 0.6 0.6 volume=1.426 peak=144 ppm1=1.999 ppm2=4.322
assign ( resid 6 and name HA
)
( resid 5 and name HB1
) 3.5 0.7 0.7 volume=0.876 peak=650 ppm1=4.091 ppm2=1.466
assign ( resid 75 and name HG1#
)
( resid 75 and name HN
) 2.4 0.4 0.4 volume=0.829 peak=645 ppm1=0.906 ppm2=7.392
assign ( resid 24 and name HG2#
)
( resid 78 and name HA
) 5.1 0.5 0.5 volume=0.243 peak=16 ppm1=4.000 ppm2=3.842
assign ( resid 107 and name HB1
)
( resid 109 and name HA
) 5.8 0.4 0.4 volume=0.434 peak=622 ppm1=1.879 ppm2=4.003
assign ( resid 72 and name HG1
)
( resid 72 and name HA
) 3.7 0.7 0.7 volume=0.423 peak=318 ppm1=2.014 ppm2=4.723
assign ( resid 45 and name HA
)
( resid 48 and name HN
) 4.7 0.4 0.4 volume=0.342 peak=452 ppm1=3.986 ppm2=7.690
assign ( resid 54 and name HA
)
( resid 53 and name HG2#
) 3.7 0.7 0.7 volume=1.310 peak=959 ppm1=4.099 ppm2=1.098
assign ( resid 69 and name HA
)
( resid 68 and name HA
) 4.5 0.9 0.9 volume=0.123 peak=101 ppm1=3.837 ppm2=4.211
assign ( resid 86 and name HG2#
)
( resid 89 and name HN
) 4.4 0.9 0.9 volume=0.451 peak=715 ppm1=-0.520 ppm2=7.391
assign ( resid 16 and name HG1
)
( resid 13 and name HA
) 3.9 0.8 0.8 volume=0.307 peak=859 ppm1=1.303 ppm2=4.100
assign ( resid 74 and name HA
)
( resid 74 and name HB2
) 2.9 0.6 0.6 volume=1.857 peak=346 ppm1=4.382 ppm2=2.090
assign ( resid 12 and name HG1#
)
( resid 16 and name HG1
) 3.6 0.7 0.7 volume=1.449 peak=118 ppm1=0.603 ppm2=1.357
assign ( resid 11 and name HB2
)
( resid 11 and name HB1
) 2.0 0.5 0.5 volume=3.487 peak=962 ppm1=3.004 ppm2=3.258
assign ( resid 57 and name HA
)
( resid 60 and name HN
) 3.5 0.7 0.7 volume=0.618 peak=416 ppm1=4.419 ppm2=7.613
assign ( resid 110 and name HA
)
( resid 109 and name HD1#
) 4.8 0.4 0.4 volume=0.419 peak=266 ppm1=4.273 ppm2=0.801
assign ( resid 77 and name HB
)
( resid 76 and name HA
) 4.2 0.8 0.8 volume=0.203 peak=1005 ppm1=2.125 ppm2=4.479
assign ( resid 24 and name HA
)
( resid 24 and name HG1#
) 3.6 0.4 0.4 volume=2.899 peak=314 ppm1=4.010 ppm2=0.786
assign ( resid 30 and name HB2
)
( resid 30 and name HN
) 3.8 1.5 0.8 volume=0.361 peak=39 ppm1=2.741 ppm2=6.832
assign ( resid 25 and name HE1
)
( resid 25 and name HB1
) 3.8 0.4 0.4 volume=13.672 peak=896 ppm1=2.932 ppm2=1.640
assign ( resid 29 and name HA
)
( resid 33 and name HG1
) 5.7 0.4 0.3 volume=0.334 peak=293 ppm1=3.646 ppm2=1.404
assign ( resid 32 and name HA
)
( resid 33 and name HA
) 3.9 0.8 0.8 volume=0.323 peak=742 ppm1=3.599 ppm2=4.168
assign ( resid 98 and name HB1
)
( resid 98 and name HA
) 2.9 0.7 0.7 volume=0.632 peak=955 ppm1=2.188 ppm2=3.883
assign ( resid 51 and name HD1#
)
( resid 51 and name HG11
) 2.8 0.7 0.7 volume=2.429 peak=110 ppm1=0.608 ppm2=1.203
assign ( resid 102 and name HB#
)
( resid 100 and name HN
) 4.4 0.7 0.7 volume=2.119 peak=885 ppm1=1.292 ppm2=7.547
assign ( resid 86 and name HG2#
)
( resid 86 and name HA
) 2.8 0.8 0.8 volume=1.026 peak=919 ppm1=-0.514 ppm2=3.434
assign ( resid 10 and name HA
)
( resid 11 and name HN
) 3.1 0.6 0.6 volume=1.219 peak=1074 ppm1=4.113 ppm2=7.828
assign ( resid 99 and name HA
)
( resid 101 and name HN
) 3.6 0.7 0.7 volume=0.475 peak=609 ppm1=3.422 ppm2=7.884
assign ( resid 29 and name HA
)
( resid 30 and name HN
) 3.9 0.8 0.8 volume=0.321 peak=458 ppm1=3.658 ppm2=6.898
assign ( resid 54 and name HA
)
( resid 54 and name HN
) 3.2 0.6 0.6 volume=0.987 peak=573 ppm1=4.100 ppm2=8.135
assign ( resid 38 and name HG2#
)
( resid 46 and name HB1
) 4.1 0.7 0.4 volume=0.459 peak=456 ppm1=0.656 ppm2=1.919
assign ( resid 47 and name HA
)
( resid 47 and name HB1
) 2.4 0.5 0.5 volume=6.275 peak=900 ppm1=3.932 ppm2=2.066
assign ( resid 69 and name HA
)
( resid 68 and name HN
) 4.6 0.8 0.8 volume=0.264 peak=980 ppm1=3.820 ppm2=8.858
assign ( resid 69 and name HB
)
( resid 69 and name HG1
) 3.0 0.6 0.6 volume=1.382 peak=160 ppm1=3.553 ppm2=0.237
assign ( resid 102 and name HA
)
( resid 101 and name HA
) 4.8 0.7 0.7 volume=0.467 peak=882 ppm1=3.992 ppm2=4.205
assign ( resid 50 and name HG1
)
( resid 52 and name HB1
) 5.2 0.3 0.4 volume=0.185 peak=251 ppm1=1.151 ppm2=2.782
assign ( resid 14 and name HB2
)
( resid 15 and name HN
) 2.8 0.3 0.4 volume=0.364 peak=680 ppm1=2.184 ppm2=8.436
assign ( resid 16 and name HD1
)
( resid 16 and name HE1
) 2.6 0.5 0.5 volume=3.414 peak=904 ppm1=1.660 ppm2=2.939
assign ( resid 50 and name HG1
)
( resid 52 and name HA
) 4.3 0.4 0.4 volume=0.634 peak=766 ppm1=1.150 ppm2=4.673
assign ( resid 26 and name HB
)
( resid 26 and name HN
) 2.6 0.3 0.3 volume=0.507 peak=305 ppm1=1.766 ppm2=7.362
assign ( resid 77 and name HA
)
( resid 75 and name HG2#
) 4.6 0.4 0.4 volume=1.786 peak=247 ppm1=3.819 ppm2=1.034
assign ( resid 26 and name HG1#
)
( resid 26 and name HB
) 2.8 0.9 0.9 volume=3.653 peak=630 ppm1=0.681 ppm2=1.768
assign ( resid 86 and name HD1#
)
( resid 86 and name HG12
) 2.7 0.7 0.7 volume=1.280 peak=470 ppm1=0.781 ppm2=1.408
assign ( resid 90 and name HD1#
)
( resid 90 and name HG12
) 2.6 0.7 0.7 volume=1.376 peak=663 ppm1=0.236 ppm2=1.497
assign ( resid 66 and name HA
)
( resid 69 and name HB
) 3.7 0.7 0.7 volume=0.409 peak=376 ppm1=4.496 ppm2=3.547
assign ( resid 32 and name HA
)
( resid 33 and name HN
) 3.7 0.7 0.7 volume=0.426 peak=141 ppm1=3.601 ppm2=7.113
assign ( resid 40 and name HB1
)
( resid 41 and name HD1#
) 4.7 0.9 0.9 volume=0.303 peak=182 ppm1=2.626 ppm2=0.677
assign ( resid 53 and name HG11
)
( resid 53 and name HN
) 3.0 0.8 0.8 volume=0.252 peak=453 ppm1=1.536 ppm2=8.293
assign ( resid 72 and name HG1
)
( resid 72 and name HB2
) 2.6 0.5 0.5 volume=3.295 peak=97 ppm1=2.013 ppm2=2.403
assign ( resid 26 and name HB
)
( resid 26 and name HG2#
) 2.5 0.7 0.7 volume=1.779 peak=63 ppm1=1.758 ppm2=0.733
assign ( resid 54 and name HA
)
( resid 55 and name HA
) 4.7 0.5 0.5 volume=0.430 peak=990 ppm1=4.103 ppm2=4.372
assign ( resid 90 and name HG11
)
( resid 90 and name HG2#
) 4.1 0.8 0.8 volume=0.653 peak=102 ppm1=1.353 ppm2=0.364
assign ( resid 76 and name HA
)
( resid 77 and name HA
) 4.5 0.9 0.9 volume=0.130 peak=175 ppm1=4.549 ppm2=3.890
assign ( resid 125 and name HA
)
( resid 125 and name HN
) 3.0 0.4 0.4 volume=0.320 peak=895 ppm1=4.389 ppm2=8.159
assign ( resid 59 and name HG2#
)
( resid 59 and name HB
) 2.7 0.7 0.7 volume=1.257 peak=1077 ppm1=0.456 ppm2=1.518
assign ( resid 80 and name HA
)
( resid 77 and name HG2#
) 5.4 0.4 0.4 volume=0.149 peak=189 ppm1=4.410 ppm2=0.954
assign ( resid 113 and name HB1
)
( resid 113 and name HA
) 3.1 0.6 0.6 volume=1.242 peak=525 ppm1=2.732 ppm2=4.690
assign ( resid 43 and name HD1
)
( resid 41 and name HG1#
) 5.1 0.5 0.5 volume=0.187 peak=368 ppm1=3.889 ppm2=0.866
assign ( resid 90 and name HA
)
( resid 90 and name HG2#
) 3.2 0.4 0.4 volume=0.572 peak=862 ppm1=3.409 ppm2=0.421
assign ( resid 78 and name HD1#
)
( resid 79 and name HB#
) 5.9 1.2 1.2 volume=0.227 peak=917 ppm1=0.093 ppm2=0.920
assign ( resid 74 and name HA
)
( resid 73 and name HA
) 3.9 0.8 0.8 volume=0.292 peak=138 ppm1=4.383 ppm2=3.875
assign ( resid 74 and name HB2
)
( resid 76 and name HG1
) 4.9 0.6 0.6 volume=0.967 peak=1011 ppm1=1.938 ppm2=1.684
assign ( resid 90 and name HB
)
( resid 51 and name HG1#
) 5.4 0.4 0.4 volume=0.251 peak=886 ppm1=1.337 ppm2=0.690
assign ( resid 65 and name HB1
)
( resid 66 and name HB1
) 4.5 0.6 0.6 volume=2.004 peak=1012 ppm1=2.775 ppm2=3.008
assign ( resid 97 and name HD1
)
( resid 94 and name HN
) 5.1 0.4 0.4 volume=0.181 peak=9 ppm1=3.712 ppm2=8.434
assign ( resid 16 and name HA
)
( resid 17 and name HN
) 3.5 0.7 0.7 volume=0.558 peak=434 ppm1=3.683 ppm2=7.854
assign ( resid 119 and name HA
)
( resid 119 and name HB2
) 3.0 0.4 0.4 volume=1.824 peak=974 ppm1=4.080 ppm2=1.811
assign ( resid 97 and name HA
)
( resid 99 and name HN
) 4.2 0.4 0.4 volume=0.255 peak=877 ppm1=4.361 ppm2=7.898
assign ( resid 57 and name HA
)
( resid 61 and name HB2
) 4.0 0.8 0.8 volume=0.275 peak=864 ppm1=4.400 ppm2=2.659
assign ( resid 51 and name HD1#
)
( resid 52 and name HA
) 4.3 0.9 0.9 volume=0.537 peak=331 ppm1=0.605 ppm2=4.688
assign ( resid 6 and name HA
)
( resid 9 and name HB2
) 3.5 0.7 0.7 volume=0.864 peak=119 ppm1=4.088 ppm2=2.065
assign ( resid 59 and name HB
)
( resid 59 and name HA
) 3.0 0.3 0.3 volume=0.269 peak=83 ppm1=1.505 ppm2=3.760
assign ( resid 90 and name HD1#
)
( resid 99 and name HB
) 4.9 1.0 1.0 volume=0.244 peak=1032 ppm1=0.244 ppm2=2.087
assign ( resid 17 and name HG2
)
( resid 17 and name HB1
) 2.2 0.4 0.4 volume=8.595 peak=605 ppm1=2.398 ppm2=2.094
assign ( resid 101 and name HA
)
( resid 103 and name HG1#
) 4.4 0.9 0.9 volume=0.436 peak=68 ppm1=4.192 ppm2=0.751
assign ( resid 86 and name HD1#
)
( resid 86 and name HA
) 2.6 0.7 0.7 volume=1.496 peak=937 ppm1=0.785 ppm2=3.443
assign ( resid 99 and name HA
)
( resid 99 and name HG2#
) 2.5 0.7 0.7 volume=1.679 peak=858 ppm1=3.428 ppm2=0.844
assign ( resid 102 and name HB#
)
( resid 99 and name HA
) 3.8 0.8 0.8 volume=1.094 peak=1026 ppm1=1.292 ppm2=3.441
assign ( resid 17 and name HG2
)
( resid 13 and name HA
) 5.6 0.4 0.4 volume=2.845 peak=317 ppm1=2.398 ppm2=4.153
assign ( resid 67 and name HB2
)
( resid 67 and name HN
) 2.6 0.7 0.7 volume=0.513 peak=838 ppm1=3.284 ppm2=9.086
assign ( resid 110 and name HA
)
( resid 117 and name HA
) 4.0 0.4 0.4 volume=0.423 peak=773 ppm1=4.289 ppm2=4.490
assign ( resid 78 and name HG12
)
( resid 24 and name HG2#
) 3.6 0.4 0.4 volume=3.607 peak=406 ppm1=0.620 ppm2=0.865
assign ( resid 98 and name HB1
)
( resid 99 and name HA
) 4.7 0.7 0.7 volume=0.585 peak=1048 ppm1=2.193 ppm2=3.321
assign ( resid 16 and name HA
)
( resid 16 and name HE1
) 4.1 0.8 0.8 volume=0.213 peak=498 ppm1=3.712 ppm2=2.815
assign ( resid 84 and name HA
)
( resid 84 and name HB1
) 3.0 0.6 0.6 volume=0.431 peak=973 ppm1=4.225 ppm2=3.007
assign ( resid 26 and name HG1#
)
( resid 27 and name HN
) 3.5 0.4 0.4 volume=0.672 peak=833 ppm1=0.672 ppm2=8.557
assign ( resid 111 and name HG1
)
( resid 113 and name HA
) 4.7 0.4 0.4 volume=0.507 peak=424 ppm1=1.376 ppm2=4.671
assign ( resid 43 and name HB2
)
( resid 43 and name HA
) 3.1 0.6 0.6 volume=1.170 peak=3 ppm1=2.424 ppm2=4.306
assign ( resid 46 and name HD2
)
( resid 46 and name HD1
) 1.9 0.6 0.6 volume=1.986 peak=176 ppm1=3.634 ppm2=3.289
assign ( resid 35 and name HA
)
( resid 39 and name HG1
) 3.6 0.7 0.7 volume=0.497 peak=584 ppm1=3.788 ppm2=1.387
assign ( resid 38 and name HG2#
)
( resid 37 and name HB1
) 3.8 0.4 0.4 volume=0.376 peak=812 ppm1=0.473 ppm2=2.766
assign ( resid 50 and name HB
)
( resid 49 and name HA2
) 5.7 0.5 0.5 volume=0.318 peak=834 ppm1=3.506 ppm2=3.194
assign ( resid 41 and name HG2#
)
( resid 41 and name HG12
) 2.6 0.4 0.4 volume=2.685 peak=478 ppm1=0.737 ppm2=0.996
assign ( resid 79 and name HB#
)
( resid 77 and name HA
) 4.0 0.6 0.6 volume=0.206 peak=379 ppm1=0.932 ppm2=2.128
assign ( resid 27 and name HD1
)
( resid 27 and name HE1
) 2.5 0.5 0.5 volume=4.503 peak=957 ppm1=1.620 ppm2=2.914
assign ( resid 29 and name HA
)
( resid 29 and name HB#
) 2.5 0.7 0.7 volume=1.771 peak=967 ppm1=3.662 ppm2=1.174
assign ( resid 118 and name HA
)
( resid 118 and name HD2#
) 2.6 0.7 0.9 volume=1.567 peak=683 ppm1=4.154 ppm2=0.800
assign ( resid 35 and name HA
)
( resid 35 and name HB1
) 3.0 0.6 0.6 volume=1.407 peak=257 ppm1=3.795 ppm2=2.910
assign ( resid 116 and name HB
)
( resid 116 and name HG1
) 2.8 0.6 0.6 volume=2.145 peak=1008 ppm1=4.156 ppm2=1.134
assign ( resid 95 and name HG2#
)
( resid 95 and name HA
) 2.9 0.7 0.7 volume=1.380 peak=641 ppm1=0.511 ppm2=4.481
assign ( resid 103 and name HG1#
)
( resid 104 and name HB#
) 3.5 0.4 0.4 volume=0.982 peak=654 ppm1=0.752 ppm2=1.244
assign ( resid 98 and name HA
)
( resid 101 and name HB#
) 3.1 0.8 0.8 volume=0.669 peak=938 ppm1=3.911 ppm2=1.405
assign ( resid 106 and name HA
)
( resid 106 and name HG1
) 2.4 0.4 0.4 volume=0.069 peak=354 ppm1=4.310 ppm2=1.135
assign ( resid 9 and name HA
)
( resid 9 and name HB2
) 2.7 0.5 0.5 volume=2.832 peak=117 ppm1=3.959 ppm2=2.042
assign ( resid 53 and name HA
)
( resid 53 and name HB
) 3.2 0.6 0.6 volume=1.062 peak=196 ppm1=4.134 ppm2=1.921
assign ( resid 19 and name HD1#
)
( resid 19 and name HN
) 4.0 0.8 0.8 volume=0.778 peak=752 ppm1=0.611 ppm2=8.156
assign ( resid 59 and name HG2#
)
( resid 62 and name HB2
) 4.6 0.9 0.9 volume=0.324 peak=778 ppm1=0.451 ppm2=3.233
assign ( resid 77 and name HB
)
( resid 78 and name HG11
) 4.5 0.8 0.8 volume=0.199 peak=790 ppm1=2.137 ppm2=0.539
assign ( resid 47 and name HG2
)
( resid 47 and name HB1
) 3.0 0.3 0.3 volume=6.604 peak=636 ppm1=2.447 ppm2=2.057
assign ( resid 5 and name HA
)
( resid 5 and name HG
) 2.5 0.3 0.3 volume=0.651 peak=348 ppm1=3.698 ppm2=1.012
assign ( resid 86 and name HD1#
)
( resid 15 and name HD1#
) 5.8 0.4 0.4 volume=0.383 peak=825 ppm1=-0.516 ppm2=0.320
assign ( resid 93 and name HA
)
( resid 93 and name HE1
) 4.3 0.4 0.4 volume=3.449 peak=776 ppm1=4.523 ppm2=3.034
assign ( resid 69 and name HG1
)
( resid 66 and name HN
) 4.5 0.5 0.5 volume=0.540 peak=417 ppm1=0.244 ppm2=7.836
assign ( resid 18 and name HB#
)
( resid 19 and name HD1#
) 4.4 0.9 0.9 volume=1.282 peak=76 ppm1=1.325 ppm2=0.592
assign ( resid 98 and name HG1
)
( resid 99 and name HA
) 3.7 0.7 0.7 volume=0.400 peak=789 ppm1=2.342 ppm2=3.410
assign ( resid 117 and name HA
)
( resid 117 and name HB2
) 2.8 0.6 0.6 volume=2.302 peak=179 ppm1=4.568 ppm2=2.647
assign ( resid 9 and name HA
)
( resid 11 and name HN
) 3.9 0.8 0.8 volume=0.305 peak=587 ppm1=3.960 ppm2=7.552
assign ( resid 79 and name HB#
)
( resid 78 and name HN
) 5.4 1.1 1.1 volume=0.131 peak=20 ppm1=0.917 ppm2=8.462
assign ( resid 17 and name HG2
)
( resid 14 and name HA
) 4.1 0.8 0.8 volume=0.242 peak=1069 ppm1=2.403 ppm2=3.603
assign ( resid 14 and name HG2
)
( resid 14 and name HB2
) 2.8 0.6 0.6 volume=0.562 peak=691 ppm1=2.548 ppm2=2.183
assign ( resid 53 and name HD1#
)
( resid 53 and name HN
) 4.0 1.0 1.0 volume=0.271 peak=814 ppm1=0.980 ppm2=8.742
assign ( resid 77 and name HA
)
( resid 76 and name HA
) 3.9 0.8 0.8 volume=0.301 peak=304 ppm1=3.822 ppm2=4.652
assign ( resid 59 and name HG2#
)
( resid 56 and name HA
) 4.2 0.8 0.8 volume=0.621 peak=1044 ppm1=0.457 ppm2=4.715
assign ( resid 14 and name HB2
)
( resid 11 and name HN
) 4.5 0.8 0.8 volume=1.372 peak=380 ppm1=2.180 ppm2=7.627
assign ( resid 78 and name HG2#
)
( resid 76 and name HB2
) 4.4 0.4 0.4 volume=2.104 peak=688 ppm1=0.620 ppm2=1.966
assign ( resid 40 and name HB1
)
( resid 38 and name HA
) 4.8 0.7 0.7 volume=0.453 peak=771 ppm1=2.612 ppm2=3.012
assign ( resid 66 and name HB2
)
( resid 66 and name HN
) 2.5 0.6 0.6 volume=0.241 peak=191 ppm1=3.283 ppm2=7.846
assign ( resid 52 and name HA
)
( resid 53 and name HD1#
) 4.4 0.9 0.9 volume=0.455 peak=27 ppm1=4.620 ppm2=0.894
assign ( resid 53 and name HG12
)
( resid 53 and name HN
) 3.7 0.7 0.7 volume=0.447 peak=806 ppm1=1.549 ppm2=8.773
assign ( resid 15 and name HD1#
)
( resid 11 and name HA
) 5.1 1.0 1.0 volume=0.184 peak=727 ppm1=0.343 ppm2=4.163
assign ( resid 99 and name HG1#
)
( resid 90 and name HG11
) 3.6 0.4 0.4 volume=5.159 peak=283 ppm1=0.825 ppm2=1.331
assign ( resid 79 and name HB#
)
( resid 79 and name HA
) 2.4 0.7 0.7 volume=2.186 peak=347 ppm1=0.928 ppm2=3.895
assign ( resid 22 and name HA
)
( resid 23 and name HN
) 3.6 0.7 0.7 volume=0.480 peak=324 ppm1=4.356 ppm2=7.870
assign ( resid 103 and name HG1#
)
( resid 100 and name HA
) 3.9 0.8 0.8 volume=0.911 peak=246 ppm1=0.768 ppm2=3.765
assign ( resid 33 and name HA
)
( resid 33 and name HE1
) 3.5 0.7 1.4 volume=0.567 peak=730 ppm1=4.209 ppm2=3.029
assign ( resid 73 and name HB1
)
( resid 75 and name HN
) 5.3 0.4 0.4 volume=0.406 peak=474 ppm1=1.991 ppm2=7.321
assign ( resid 101 and name HA
)
( resid 101 and name HB#
) 2.6 0.6 0.6 volume=3.283 peak=997 ppm1=4.205 ppm2=1.419
assign ( resid 69 and name HG1
)
( resid 66 and name HB2
) 5.7 0.3 0.3 volume=0.374 peak=1055 ppm1=0.226 ppm2=2.993
assign ( resid 86 and name HG2#
)
( resid 51 and name HD1#
) 4.1 0.8 0.8 volume=1.974 peak=265 ppm1=-0.517 ppm2=0.615
assign ( resid 90 and name HG2#
)
( resid 90 and name HA
) 3.9 0.8 0.8 volume=0.858 peak=631 ppm1=0.416 ppm2=3.419
assign ( resid 118 and name HD2#
)
( resid 117 and name HB2
) 4.7 0.4 0.4 volume=0.111 peak=705 ppm1=0.765 ppm2=2.656
assign ( resid 22 and name HA
)
( resid 21 and name HN
) 4.7 0.8 0.8 volume=0.302 peak=219 ppm1=4.348 ppm2=7.557
assign ( resid 24 and name HB
)
( resid 25 and name HG1
) 5.6 0.4 0.4 volume=1.412 peak=820 ppm1=1.941 ppm2=1.450
assign ( resid 59 and name HG2#
)
( resid 59 and name HN
) 2.8 0.7 0.7 volume=1.209 peak=553 ppm1=0.454 ppm2=7.915
assign ( resid 53 and name HG2#
)
( resid 53 and name HN
) 4.8 1.0 1.0 volume=0.276 peak=49 ppm1=1.049 ppm2=8.379
assign ( resid 108 and name HA
)
( resid 110 and name HN
) 4.0 0.4 0.4 volume=0.588 peak=40 ppm1=4.168 ppm2=8.207
assign ( resid 39 and name HA
)
( resid 43 and name HD1
) 4.9 0.4 0.4 volume=0.252 peak=299 ppm1=3.452 ppm2=3.915
assign ( resid 21 and name HA
)
( resid 23 and name HN
) 3.4 0.7 0.7 volume=0.685 peak=272 ppm1=4.102 ppm2=7.869
assign ( resid 66 and name HA
)
( resid 68 and name HN
) 4.3 0.5 0.6 volume=0.462 peak=884 ppm1=4.505 ppm2=8.777
assign ( resid 65 and name HB1
)
( resid 65 and name HA
) 3.2 0.6 0.6 volume=1.014 peak=41 ppm1=2.780 ppm2=4.500
assign ( resid 64 and name HB1
)
( resid 61 and name HB2
) 4.5 0.7 0.7 volume=0.812 peak=363 ppm1=2.178 ppm2=2.658
assign ( resid 10 and name HA
)
( resid 12 and name HB
) 5.0 0.5 0.5 volume=3.100 peak=398 ppm1=4.080 ppm2=2.047
assign ( resid 90 and name HG2#
)
( resid 90 and name HD1#
) 2.5 0.8 0.8 volume=2.244 peak=435 ppm1=0.421 ppm2=0.220
assign ( resid 77 and name HG1#
)
( resid 79 and name HN
) 4.1 0.8 0.8 volume=0.645 peak=783 ppm1=0.952 ppm2=7.877
assign ( resid 79 and name HB#
)
( resid 79 and name HN
) 3.4 1.3 0.7 volume=2.030 peak=1061 ppm1=0.928 ppm2=7.967
assign ( resid 33 and name HA
)
( resid 32 and name HN
) 4.7 0.7 0.7 volume=0.409 peak=273 ppm1=4.223 ppm2=8.716
assign ( resid 109 and name HA
)
( resid 108 and name HB1
) 4.8 0.4 0.4 volume=0.339 peak=863 ppm1=4.043 ppm2=1.843
assign ( resid 102 and name HA
)
( resid 101 and name HN
) 4.6 0.8 0.8 volume=0.231 peak=965 ppm1=3.996 ppm2=7.850
assign ( resid 90 and name HD1#
)
( resid 51 and name HG2#
) 4.5 1.2 1.0 volume=0.523 peak=190 ppm1=0.235 ppm2=0.759
assign ( resid 12 and name HA
)
( resid 11 and name HN
) 4.6 0.8 0.8 volume=0.252 peak=301 ppm1=3.091 ppm2=7.485
assign ( resid 99 and name HG2#
)
( resid 93 and name HB1
) 4.3 0.4 0.4 volume=0.309 peak=116 ppm1=0.797 ppm2=2.702
assign ( resid 40 and name HB1
)
( resid 37 and name HB1
) 4.6 0.8 0.8 volume=0.380 peak=188 ppm1=2.623 ppm2=3.231
assign ( resid 33 and name HA
)
( resid 32 and name HB1
) 4.2 0.6 0.6 volume=0.982 peak=499 ppm1=4.206 ppm2=1.640
assign ( resid 59 and name HB
)
( resid 59 and name HG1#
) 2.2 0.4 0.4 volume=0.529 peak=927 ppm1=1.489 ppm2=-0.335
assign ( resid 78 and name HD1#
)
( resid 78 and name HN
) 4.0 1.0 1.0 volume=0.210 peak=717 ppm1=0.100 ppm2=8.330
assign ( resid 98 and name HA
)
( resid 98 and name HN
) 3.2 0.6 0.6 volume=0.969 peak=510 ppm1=3.925 ppm2=8.291
assign ( resid 97 and name HB1
)
( resid 93 and name HE1
) 3.2 0.4 0.4 volume=0.315 peak=675 ppm1=3.712 ppm2=2.938
assign ( resid 18 and name HB#
)
( resid 17 and name HB1
) 4.0 0.8 0.8 volume=0.763 peak=703 ppm1=1.328 ppm2=2.123
assign ( resid 53 and name HG2#
)
( resid 54 and name HN
) 3.6 0.7 0.7 volume=1.464 peak=420 ppm1=1.050 ppm2=8.114
assign ( resid 16 and name HA
)
( resid 19 and name HN
) 3.9 0.8 0.8 volume=0.324 peak=61 ppm1=3.699 ppm2=8.113
assign ( resid 5 and name HA
)
( resid 7 and name HN
) 4.0 0.8 0.8 volume=0.265 peak=245 ppm1=3.691 ppm2=8.720
assign ( resid 119 and name HA
)
( resid 119 and name HG1
) 3.1 0.4 0.4 volume=0.775 peak=702 ppm1=4.080 ppm2=2.080
assign ( resid 17 and name HG2
)
( resid 16 and name HB1
) 4.7 0.5 0.5 volume=3.011 peak=726 ppm1=2.397 ppm2=1.791
assign ( resid 12 and name HG1#
)
( resid 11 and name HN
) 5.6 0.4 0.4 volume=0.391 peak=561 ppm1=0.592 ppm2=7.548
assign ( resid 52 and name HA
)
( resid 50 and name HG1
) 3.7 0.7 0.7 volume=0.404 peak=350 ppm1=4.615 ppm2=1.114
assign ( resid 54 and name HA
)
( resid 55 and name HN
) 3.8 0.8 0.8 volume=0.364 peak=5 ppm1=4.112 ppm2=9.104
assign ( resid 102 and name HB#
)
( resid 102 and name HA
) 2.7 0.7 0.7 volume=2.553 peak=971 ppm1=1.292 ppm2=3.989
assign ( resid 53 and name HD1#
)
( resid 53 and name HG12
) 2.2 0.3 0.3 volume=4.780 peak=992 ppm1=0.975 ppm2=1.563
assign ( resid 99 and name HA
)
( resid 99 and name HB
) 3.7 0.7 0.7 volume=0.443 peak=134 ppm1=3.425 ppm2=2.154
assign ( resid 38 and name HG1#
)
( resid 38 and name HA
) 2.7 0.7 0.7 volume=1.237 peak=764 ppm1=0.482 ppm2=3.027
assign ( resid 52 and name HA
)
( resid 52 and name HB2
) 3.0 0.6 0.6 volume=1.431 peak=256 ppm1=4.599 ppm2=3.065
assign ( resid 12 and name HA
)
( resid 15 and name HB1
) 4.5 0.7 0.7 volume=0.541 peak=914 ppm1=3.080 ppm2=1.700
assign ( resid 18 and name HA
)
( resid 19 and name HN
) 3.5 0.7 0.7 volume=0.607 peak=281 ppm1=3.779 ppm2=8.113
assign ( resid 59 and name HA
)
( resid 59 and name HG1#
) 3.2 0.8 0.8 volume=0.616 peak=801 ppm1=3.758 ppm2=-0.335
assign ( resid 24 and name HB
)
( resid 24 and name HG1#
) 2.2 0.3 0.3 volume=2.807 peak=504 ppm1=1.948 ppm2=0.848
assign ( resid 117 and name HA
)
( resid 111 and name HB2
) 5.7 0.4 0.4 volume=0.164 peak=976 ppm1=4.574 ppm2=1.922
assign ( resid 54 and name HA
)
( resid 57 and name HB1
) 3.0 0.6 0.6 volume=1.422 peak=816 ppm1=4.110 ppm2=2.173
assign ( resid 59 and name HG2#
)
( resid 43 and name HG1
) 4.2 0.4 0.4 volume=0.506 peak=47 ppm1=0.455 ppm2=2.461
assign ( resid 90 and name HG2#
)
( resid 53 and name HG2#
) 6.1 1.2 1.2 volume=0.194 peak=235 ppm1=0.411 ppm2=1.061
assign ( resid 101 and name HB#
)
( resid 101 and name HA
) 2.2 0.3 0.3 volume=5.108 peak=889 ppm1=1.400 ppm2=4.202
assign ( resid 88 and name HG1
)
( resid 88 and name HN
) 4.1 0.3 0.3 volume=0.762 peak=922 ppm1=2.259 ppm2=7.853
assign ( resid 73 and name HG2
)
( resid 73 and name HB1
) 2.8 0.6 0.6 volume=1.022 peak=502 ppm1=2.432 ppm2=1.969
assign ( resid 86 and name HG2#
)
( resid 86 and name HG11
) 2.8 0.7 0.7 volume=1.166 peak=467 ppm1=-0.518 ppm2=1.363
assign ( resid 24 and name HB
)
( resid 23 and name HN
) 4.7 0.3 0.3 volume=0.716 peak=589 ppm1=1.943 ppm2=7.868
assign ( resid 24 and name HA
)
( resid 24 and name HB
) 2.6 0.4 0.4 volume=1.051 peak=371 ppm1=4.003 ppm2=1.949
assign ( resid 88 and name HA
)
( resid 88 and name HG1
) 2.9 0.6 0.6 volume=1.963 peak=294 ppm1=3.851 ppm2=2.218
assign ( resid 109 and name HG2#
)
( resid 109 and name HB
) 2.9 0.8 0.8 volume=0.969 peak=186 ppm1=0.826 ppm2=1.730
assign ( resid 33 and name HA
)
( resid 33 and name HG1
) 3.0 0.8 0.8 volume=0.556 peak=835 ppm1=4.222 ppm2=1.384
assign ( resid 75 and name HG1#
)
( resid 76 and name HA
) 4.7 0.4 0.4 volume=0.686 peak=795 ppm1=0.906 ppm2=4.648
assign ( resid 33 and name HA
)
( resid 33 and name HD2
) 4.0 0.6 0.6 volume=1.056 peak=667 ppm1=4.221 ppm2=1.619
assign ( resid 12 and name HG2#
)
( resid 16 and name HD1
) 5.0 1.0 1.0 volume=0.213 peak=436 ppm1=1.123 ppm2=1.730
assign ( resid 14 and name HA
)
( resid 13 and name HB1
) 3.9 0.8 0.8 volume=0.326 peak=811 ppm1=3.650 ppm2=2.020
assign ( resid 22 and name HA
)
( resid 22 and name HB1
) 3.1 0.6 0.6 volume=1.246 peak=934 ppm1=4.362 ppm2=1.651
assign ( resid 108 and name HA
)
( resid 108 and name HG1
) 3.1 0.6 0.6 volume=1.331 peak=519 ppm1=4.180 ppm2=2.078
assign ( resid 5 and name HA
)
( resid 5 and name HD1#
) 3.7 0.7 0.7 volume=1.295 peak=612 ppm1=3.699 ppm2=0.856
assign ( resid 9 and name HB2
)
( resid 9 and name HA
) 2.6 0.5 0.5 volume=3.305 peak=868 ppm1=2.036 ppm2=3.984
assign ( resid 27 and name HD1
)
( resid 29 and name HA
) 4.9 0.4 0.4 volume=0.497 peak=48 ppm1=1.632 ppm2=3.694
assign ( resid 97 and name HD2
)
( resid 99 and name HG1#
) 3.8 0.4 0.4 volume=0.098 peak=861 ppm1=3.714 ppm2=0.813
assign ( resid 98 and name HA
)
( resid 99 and name HA
) 4.3 0.9 0.9 volume=0.179 peak=261 ppm1=3.926 ppm2=3.322
assign ( resid 69 and name HA
)
( resid 69 and name HN
) 2.8 0.3 0.3 volume=0.513 peak=33 ppm1=3.836 ppm2=7.843
assign ( resid 111 and name HA
)
( resid 111 and name HG1
) 3.0 0.7 0.7 volume=0.422 peak=786 ppm1=4.263 ppm2=1.380
assign ( resid 78 and name HG2#
)
( resid 78 and name HA
) 2.8 0.8 0.8 volume=1.141 peak=335 ppm1=0.613 ppm2=3.850
assign ( resid 125 and name HA
)
( resid 124 and name HB2
) 4.7 0.4 0.4 volume=0.452 peak=112 ppm1=4.370 ppm2=3.112
assign ( resid 32 and name HA
)
( resid 35 and name HB1
) 3.3 0.5 0.5 volume=0.747 peak=911 ppm1=3.629 ppm2=3.770
assign ( resid 38 and name HG2#
)
( resid 38 and name HB
) 2.6 0.7 0.7 volume=1.547 peak=146 ppm1=0.652 ppm2=2.228
assign ( resid 3 and name HA
)
( resid 4 and name HA
) 4.5 0.4 0.4 volume=0.684 peak=808 ppm1=3.897 ppm2=4.695
assign ( resid 21 and name HB
)
( resid 21 and name HG1
) 3.3 0.7 0.7 volume=0.782 peak=492 ppm1=4.254 ppm2=1.298
assign ( resid 43 and name HD1
)
( resid 41 and name HA
) 3.3 0.4 0.4 volume=0.170 peak=540 ppm1=3.898 ppm2=4.106
assign ( resid 9 and name HA
)
( resid 12 and name HG2#
) 4.2 0.8 0.8 volume=0.586 peak=1037 ppm1=3.959 ppm2=1.113
assign ( resid 43 and name HA
)
( resid 43 and name HB2
) 2.7 0.5 0.5 volume=2.710 peak=10 ppm1=4.312 ppm2=2.406
assign ( resid 69 and name HB
)
( resid 69 and name HA
) 3.1 0.6 0.6 volume=1.311 peak=737 ppm1=3.554 ppm2=3.807
assign ( resid 15 and name HD1#
)
( resid 19 and name HB2
) 5.6 0.4 0.4 volume=0.888 peak=514 ppm1=0.331 ppm2=1.465
assign ( resid 78 and name HD1#
)
( resid 77 and name HG1#
) 4.5 0.5 0.5 volume=0.758 peak=455 ppm1=0.098 ppm2=1.090
assign ( resid 111 and name HD1
)
( resid 111 and name HG1
) 2.4 0.5 0.5 volume=6.216 peak=157 ppm1=1.532 ppm2=1.376
assign ( resid 109 and name HD1#
)
( resid 110 and name HD2#
) 3.4 0.4 0.4 volume=0.416 peak=620 ppm1=0.785 ppm2=1.591
assign ( resid 24 and name HA
)
( resid 25 and name HA
) 4.4 0.4 0.4 volume=0.628 peak=1064 ppm1=4.011 ppm2=4.291
assign ( resid 27 and name HD1
)
( resid 27 and name HG1
) 3.0 0.3 0.4 volume=15.719 peak=985 ppm1=1.627 ppm2=1.405
assign ( resid 72 and name HG1
)
( resid 72 and name HD2
) 3.2 0.6 0.6 volume=1.057 peak=98 ppm1=2.016 ppm2=3.290
assign ( resid 116 and name HA
)
( resid 117 and name HB1
) 5.3 0.5 0.5 volume=0.193 peak=1063 ppm1=4.217 ppm2=2.619
assign ( resid 77 and name HA
)
( resid 80 and name HB2
) 3.9 0.7 0.7 volume=0.010 peak=208 ppm1=3.822 ppm2=2.887
assign ( resid 38 and name HA
)
( resid 37 and name HA
) 4.5 0.9 0.9 volume=0.126 peak=332 ppm1=3.042 ppm2=4.257
assign ( resid 76 and name HA
)
( resid 75 and name HG1#
) 4.7 0.4 0.4 volume=0.373 peak=152 ppm1=4.546 ppm2=0.921
assign ( resid 86 and name HB
)
( resid 86 and name HN
) 2.7 0.3 0.3 volume=0.620 peak=23 ppm1=1.911 ppm2=7.868
assign ( resid 12 and name HG1#
)
( resid 12 and name HA
) 3.0 0.6 0.6 volume=1.026 peak=447 ppm1=0.598 ppm2=3.049
assign ( resid 53 and name HB
)
( resid 53 and name HG12
) 3.1 0.6 0.6 volume=1.189 peak=415 ppm1=1.917 ppm2=1.545
assign ( resid 66 and name HB1
)
( resid 66 and name HB2
) 1.9 0.6 0.6 volume=1.863 peak=933 ppm1=3.303 ppm2=3.024
assign ( resid 72 and name HG1
)
( resid 72 and name HD1
) 3.2 0.8 0.8 volume=0.189 peak=617 ppm1=2.014 ppm2=2.916
assign ( resid 25 and name HE2
)
( resid 24 and name HG1#
) 5.1 0.4 0.4 volume=0.634 peak=719 ppm1=2.935 ppm2=0.858
assign ( resid 16 and name HA
)
( resid 20 and name HN
) 3.6 0.7 0.7 volume=0.483 peak=383 ppm1=3.711 ppm2=8.330
assign ( resid 51 and name HB
)
( resid 50 and name HG1
) 4.5 0.8 0.8 volume=0.251 peak=1010 ppm1=1.949 ppm2=1.159
assign ( resid 111 and name HG1
)
( resid 114 and name HA
) 4.7 0.6 0.6 volume=1.209 peak=961 ppm1=1.381 ppm2=4.340
assign ( resid 11 and name HB1
)
( resid 12 and name HN
) 2.7 0.4 0.4 volume=0.339 peak=706 ppm1=3.024 ppm2=8.078
assign ( resid 38 and name HB
)
( resid 38 and name HA
) 2.7 0.7 0.7 volume=0.396 peak=964 ppm1=2.244 ppm2=2.991
assign ( resid 35 and name HB1
)
( resid 35 and name HA
) 3.2 0.6 0.6 volume=0.925 peak=669 ppm1=2.897 ppm2=3.792
assign ( resid 112 and name HB1
)
( resid 113 and name HB1
) 5.6 0.4 0.4 volume=0.178 peak=105 ppm1=3.855 ppm2=2.726
assign ( resid 33 and name HA
)
( resid 36 and name HN
) 3.8 0.8 0.8 volume=0.364 peak=1009 ppm1=4.215 ppm2=8.316
assign ( resid 25 and name HA
)
( resid 25 and name HE2
) 5.6 0.4 0.4 volume=0.594 peak=791 ppm1=4.342 ppm2=3.145
assign ( resid 16 and name HB1
)
( resid 16 and name HD1
) 3.0 0.6 0.6 volume=31.364 peak=648 ppm1=1.775 ppm2=1.666
assign ( resid 70 and name HA
)
( resid 72 and name HD1
) 4.6 0.7 0.7 volume=0.497 peak=204 ppm1=4.545 ppm2=2.971
assign ( resid 43 and name HG2
)
( resid 43 and name HD1
) 2.7 0.5 0.5 volume=2.678 peak=880 ppm1=2.085 ppm2=3.900
assign ( resid 26 and name HB
)
( resid 26 and name HA
) 3.3 0.7 0.7 volume=0.807 peak=940 ppm1=1.758 ppm2=4.089
assign ( resid 90 and name HA
)
( resid 90 and name HN
) 2.8 0.3 0.3 volume=0.404 peak=603 ppm1=3.418 ppm2=7.709
assign ( resid 5 and name HG
)
( resid 5 and name HA
) 2.5 0.3 0.3 volume=0.856 peak=873 ppm1=0.987 ppm2=3.711
assign ( resid 22 and name HA
)
( resid 21 and name HG1
) 3.6 0.7 0.7 volume=0.470 peak=557 ppm1=4.367 ppm2=1.344
assign ( resid 14 and name HG2
)
( resid 11 and name HA
) 3.9 0.8 0.8 volume=0.294 peak=401 ppm1=2.546 ppm2=4.196
assign ( resid 50 and name HA
)
( resid 48 and name HB1
) 5.7 0.4 0.4 volume=0.470 peak=810 ppm1=4.247 ppm2=2.069
assign ( resid 12 and name HA
)
( resid 12 and name HG1#
) 3.7 1.7 0.7 volume=1.208 peak=572 ppm1=3.091 ppm2=0.599
assign ( resid 12 and name HA
)
( resid 11 and name HB1
) 4.7 0.8 0.8 volume=0.238 peak=330 ppm1=3.092 ppm2=3.334
assign ( resid 59 and name HA
)
( resid 62 and name HB1
) 4.7 0.8 0.8 volume=0.196 peak=668 ppm1=3.763 ppm2=2.875
assign ( resid 33 and name HB2
)
( resid 33 and name HG1
) 2.7 0.5 0.5 volume=2.923 peak=567 ppm1=1.891 ppm2=1.430
assign ( resid 107 and name HB1
)
( resid 107 and name HN
) 4.0 0.8 0.8 volume=0.244 peak=646 ppm1=1.891 ppm2=8.398
assign ( resid 24 and name HG1#
)
( resid 25 and name HN
) 3.8 0.4 0.4 volume=0.385 peak=906 ppm1=0.834 ppm2=8.724
assign ( resid 101 and name HB#
)
( resid 98 and name HB2
) 4.4 0.9 0.9 volume=0.450 peak=25 ppm1=1.389 ppm2=2.437
assign ( resid 90 and name HG2#
)
( resid 90 and name HN
) 3.2 0.8 0.8 volume=0.592 peak=509 ppm1=0.422 ppm2=7.709
assign ( resid 66 and name HA
)
( resid 66 and name HB1
) 3.6 0.7 0.7 volume=0.457 peak=602 ppm1=4.498 ppm2=2.998
assign ( resid 53 and name HG2#
)
( resid 54 and name HE1
) 5.0 1.0 1.0 volume=0.214 peak=851 ppm1=1.053 ppm2=2.946
assign ( resid 116 and name HA
)
( resid 117 and name HN
) 3.0 0.7 0.7 volume=0.672 peak=198 ppm1=4.231 ppm2=8.311
assign ( resid 102 and name HA
)
( resid 103 and name HN
) 4.0 0.8 0.8 volume=0.273 peak=394 ppm1=4.001 ppm2=8.799
assign ( resid 27 and name HD1
)
( resid 27 and name HN
) 5.1 0.3 0.3 volume=0.225 peak=787 ppm1=1.629 ppm2=8.577
assign ( resid 124 and name HB1
)
( resid 124 and name HA
) 2.6 0.4 0.4 volume=1.896 peak=925 ppm1=2.976 ppm2=4.530
assign ( resid 53 and name HG12
)
( resid 90 and name HN
) 4.7 0.8 0.8 volume=0.317 peak=280 ppm1=1.547 ppm2=7.703
assign ( resid 9 and name HA
)
( resid 9 and name HG1
) 2.6 0.3 0.3 volume=0.664 peak=720 ppm1=3.959 ppm2=2.288
assign ( resid 45 and name HA
)
( resid 46 and name HD2
) 3.4 1.1 1.1 volume=0.044 peak=491 ppm1=4.015 ppm2=3.648
assign ( resid 78 and name HG2#
)
( resid 79 and name HN
) 4.8 1.0 1.0 volume=0.267 peak=149 ppm1=0.603 ppm2=8.029
assign ( resid 38 and name HA
)
( resid 38 and name HN
) 2.8 0.3 0.3 volume=0.405 peak=180 ppm1=3.057 ppm2=8.316
assign ( resid 41 and name HD1#
)
( resid 41 and name HB
) 3.0 0.7 0.7 volume=2.039 peak=87 ppm1=0.684 ppm2=1.686
assign ( resid 77 and name HA
)
( resid 77 and name HN
) 3.4 0.7 0.7 volume=0.759 peak=740 ppm1=3.820 ppm2=8.466
assign ( resid 118 and name HA
)
( resid 118 and name HG
) 2.7 0.5 1.0 volume=3.590 peak=670 ppm1=4.162 ppm2=1.497
assign ( resid 78 and name HG2#
)
( resid 78 and name HD1#
) 2.8 0.8 0.8 volume=2.951 peak=615 ppm1=0.616 ppm2=0.050
assign ( resid 53 and name HD1#
)
( resid 87 and name HA
) 3.5 1.2 0.5 volume=1.484 peak=200 ppm1=0.976 ppm2=3.283
assign ( resid 66 and name HB1
)
( resid 68 and name HN
) 4.3 0.7 0.7 volume=0.772 peak=686 ppm1=3.300 ppm2=8.803
assign ( resid 11 and name HB1
)
( resid 8 and name HA
) 3.9 0.8 0.8 volume=0.305 peak=384 ppm1=3.000 ppm2=3.816
assign ( resid 78 and name HA
)
( resid 79 and name HN
) 3.8 0.8 0.8 volume=0.353 peak=241 ppm1=3.837 ppm2=7.964
assign ( resid 108 and name HB1
)
( resid 109 and name HA
) 4.9 0.6 0.6 volume=1.997 peak=496 ppm1=1.826 ppm2=4.070
assign ( resid 93 and name HA
)
( resid 94 and name HN
) 3.4 0.4 0.4 volume=0.297 peak=941 ppm1=4.527 ppm2=8.411
assign ( resid 59 and name HB
)
( resid 58 and name HN
) 4.2 0.8 0.8 volume=0.192 peak=788 ppm1=1.482 ppm2=7.642
assign ( resid 93 and name HE1
)
( resid 99 and name HB
) 4.6 0.4 0.4 volume=0.719 peak=360 ppm1=1.700 ppm2=0.816
assign ( resid 9 and name HB2
)
( resid 5 and name HD2#
) 3.6 0.4 0.4 volume=0.998 peak=494 ppm1=2.034 ppm2=0.817
assign ( resid 79 and name HB#
)
( resid 80 and name HA
) 4.3 0.9 0.9 volume=0.477 peak=124 ppm1=0.921 ppm2=4.439
assign ( resid 53 and name HG2#
)
( resid 86 and name HB
) 3.1 0.6 0.6 volume=3.355 peak=714 ppm1=1.046 ppm2=1.919
assign ( resid 90 and name HD1#
)
( resid 52 and name HA
) 5.1 1.0 1.0 volume=0.185 peak=302 ppm1=0.219 ppm2=4.689
assign ( resid 50 and name HA
)
( resid 50 and name HN
) 3.8 0.8 0.8 volume=0.333 peak=113 ppm1=4.234 ppm2=7.595
assign ( resid 53 and name HG2#
)
( resid 53 and name HN
) 3.8 0.8 0.8 volume=1.039 peak=807 ppm1=1.042 ppm2=8.766
assign ( resid 24 and name HG2#
)
( resid 78 and name HD1#
) 4.2 0.5 0.4 volume=0.082 peak=132 ppm1=0.834 ppm2=0.127
assign ( resid 33 and name HB2
)
( resid 30 and name HN
) 4.7 0.8 0.8 volume=0.303 peak=479 ppm1=1.863 ppm2=6.881
assign ( resid 3 and name HB2
)
( resid 4 and name HN
) 3.0 0.4 0.4 volume=1.065 peak=599 ppm1=1.935 ppm2=7.696
assign ( resid 78 and name HD1#
)
( resid 78 and name HB
) 3.1 0.8 0.8 volume=0.714 peak=531 ppm1=0.100 ppm2=1.412
assign ( resid 53 and name HG2#
)
( resid 57 and name HD1
) 4.4 0.9 0.9 volume=0.430 peak=361 ppm1=1.054 ppm2=3.226
assign ( resid 16 and name HB1
)
( resid 16 and name HA
) 3.7 1.3 0.7 volume=0.435 peak=1034 ppm1=1.781 ppm2=3.607
assign ( resid 40 and name HB1
)
( resid 38 and name HN
) 4.7 0.6 0.6 volume=0.963 peak=230 ppm1=2.600 ppm2=8.306
assign ( resid 43 and name HD1
)
( resid 43 and name HA
) 3.9 0.8 0.8 volume=0.327 peak=782 ppm1=3.888 ppm2=4.324
assign ( resid 87 and name HD1
)
( resid 90 and name HG2#
) 5.4 1.1 1.1 volume=0.137 peak=407 ppm1=1.562 ppm2=0.419
assign ( resid 12 and name HG2#
)
( resid 12 and name HG1#
) 2.9 0.8 0.8 volume=2.801 peak=541 ppm1=0.604 ppm2=1.104
assign ( resid 93 and name HD1
)
( resid 93 and name HB2
) 2.8 0.5 1.0 volume=0.445 peak=656 ppm1=1.714 ppm2=2.660
assign ( resid 24 and name HB
)
( resid 25 and name HG2
) 5.5 0.4 0.4 volume=0.189 peak=633 ppm1=1.933 ppm2=3.106
assign ( resid 53 and name HD1#
)
( resid 52 and name HN
) 4.9 1.0 1.0 volume=0.223 peak=465 ppm1=0.985 ppm2=7.175
assign ( resid 25 and name HE1
)
( resid 25 and name HB2
) 2.4 0.4 0.4 volume=0.189 peak=679 ppm1=2.921 ppm2=2.107
assign ( resid 16 and name HA
)
( resid 17 and name HG1
) 4.7 0.8 0.8 volume=0.262 peak=303 ppm1=3.693 ppm2=2.168
assign ( resid 3 and name HA
)
( resid 3 and name HB1
) 2.7 0.4 0.4 volume=1.963 peak=269 ppm1=3.875 ppm2=1.790
assign ( resid 67 and name HB2
)
( resid 66 and name HN
) 4.5 0.8 0.8 volume=0.245 peak=614 ppm1=3.279 ppm2=7.814
assign ( resid 106 and name HB
)
( resid 103 and name HA
) 3.5 0.4 0.4 volume=0.215 peak=1043 ppm1=4.211 ppm2=0.867
assign ( resid 86 and name HG2#
)
( resid 86 and name HD1#
) 2.5 0.7 0.7 volume=2.095 peak=1072 ppm1=-0.517 ppm2=0.828
assign ( resid 50 and name HA
)
( resid 50 and name HG1
) 3.0 0.6 0.6 volume=1.386 peak=391 ppm1=4.231 ppm2=1.101
assign ( resid 59 and name HB
)
( resid 59 and name HG2#
) 2.8 0.7 0.7 volume=0.467 peak=526 ppm1=1.489 ppm2=0.437
assign ( resid 110 and name HA
)
( resid 109 and name HG11
) 4.7 0.8 0.8 volume=0.070 peak=464 ppm1=4.277 ppm2=1.105
assign ( resid 119 and name HG1
)
( resid 119 and name HB2
) 2.5 0.4 0.4 volume=4.771 peak=578 ppm1=2.057 ppm2=1.819
assign ( resid 97 and name HA
)
( resid 98 and name HN
) 2.9 0.4 0.4 volume=0.209 peak=563 ppm1=4.363 ppm2=8.655
assign ( resid 72 and name HD2
)
( resid 72 and name HB1
) 3.5 0.5 0.5 volume=2.547 peak=735 ppm1=3.276 ppm2=2.080
assign ( resid 67 and name HB2
)
( resid 67 and name HB1
) 2.3 0.7 0.7 volume=0.826 peak=1023 ppm1=3.265 ppm2=2.996
assign ( resid 6 and name HA
)
( resid 9 and name HN
) 3.4 0.7 0.7 volume=0.677 peak=339 ppm1=4.089 ppm2=8.093
assign ( resid 51 and name HD1#
)
( resid 53 and name HA
) 4.9 0.4 0.4 volume=0.820 peak=529 ppm1=0.607 ppm2=4.161
assign ( resid 124 and name HA
)
( resid 124 and name HN
) 3.0 0.4 0.4 volume=0.560 peak=11 ppm1=4.556 ppm2=8.224
assign ( resid 47 and name HG2
)
( resid 48 and name HN
) 3.3 0.7 0.7 volume=0.796 peak=1001 ppm1=2.449 ppm2=7.745
assign ( resid 48 and name HB1
)
( resid 47 and name HB2
) 4.1 0.6 0.6 volume=12.438 peak=552 ppm1=2.076 ppm2=2.305
assign ( resid 5 and name HA
)
( resid 4 and name HN
) 4.6 0.8 0.8 volume=0.241 peak=635 ppm1=3.695 ppm2=7.489
assign ( resid 108 and name HB1
)
( resid 108 and name HN
) 4.1 0.8 0.8 volume=0.239 peak=1017 ppm1=1.819 ppm2=8.402
assign ( resid 89 and name HA
)
( resid 90 and name HN
) 3.1 0.6 0.6 volume=1.170 peak=422 ppm1=3.889 ppm2=7.726
assign ( resid 86 and name HG2#
)
( resid 88 and name HN
) 4.6 0.8 0.8 volume=0.655 peak=336 ppm1=-0.518 ppm2=7.847
assign ( resid 18 and name HA
)
( resid 18 and name HB#
) 2.7 0.7 0.7 volume=1.837 peak=195 ppm1=3.784 ppm2=1.327
assign ( resid 88 and name HA
)
( resid 90 and name HG2#
) 4.0 0.4 0.4 volume=0.737 peak=145 ppm1=3.848 ppm2=1.318
assign ( resid 86 and name HD1#
)
( resid 53 and name HD1#
) 4.9 1.0 1.0 volume=0.696 peak=839 ppm1=0.780 ppm2=1.002
assign ( resid 102 and name HB#
)
( resid 98 and name HB1
) 4.3 0.5 0.5 volume=0.290 peak=931 ppm1=1.290 ppm2=2.439
assign ( resid 11 and name HB1
)
( resid 11 and name HN
) 3.4 0.7 0.7 volume=0.680 peak=551 ppm1=3.025 ppm2=7.577
assign ( resid 51 and name HD1#
)
( resid 90 and name HA
) 3.0 0.5 0.5 volume=0.362 peak=709 ppm1=0.603 ppm2=3.398
assign ( resid 22 and name HA
)
( resid 22 and name HD1
) 3.8 0.8 0.8 volume=1.144 peak=284 ppm1=4.345 ppm2=3.156
assign ( resid 48 and name HB1
)
( resid 50 and name HA
) 5.7 0.4 0.4 volume=2.457 peak=560 ppm1=2.092 ppm2=4.188
assign ( resid 25 and name HA
)
( resid 25 and name HB2
) 2.7 0.4 0.4 volume=1.869 peak=1040 ppm1=4.334 ppm2=2.068
assign ( resid 124 and name HB1
)
( resid 123 and name HN
) 5.5 0.4 0.4 volume=0.131 peak=388 ppm1=2.968 ppm2=8.571
assign ( resid 29 and name HB#
)
( resid 29 and name HN
) 3.0 1.0 1.0 volume=0.218 peak=224 ppm1=1.164 ppm2=8.305
assign ( resid 88 and name HB1
)
( resid 89 and name HN
) 3.9 0.8 0.8 volume=0.327 peak=708 ppm1=1.961 ppm2=7.323
assign ( resid 7 and name HB1
)
( resid 4 and name HA
) 3.7 0.5 0.5 volume=1.198 peak=316 ppm1=2.037 ppm2=4.685
assign ( resid 43 and name HG2
)
( resid 43 and name HB2
) 2.5 0.5 0.5 volume=4.256 peak=459 ppm1=2.092 ppm2=2.403
assign ( resid 76 and name HA
)
( resid 75 and name HN
) 5.6 0.4 0.4 volume=0.507 peak=946 ppm1=4.545 ppm2=7.373
assign ( resid 53 and name HD1#
)
( resid 53 and name HA
) 3.4 0.7 0.7 volume=2.107 peak=590 ppm1=0.973 ppm2=4.136
assign ( resid 38 and name HG2#
)
( resid 38 and name HN
) 2.5 0.7 0.7 volume=1.366 peak=875 ppm1=0.654 ppm2=8.251
assign ( resid 90 and name HG2#
)
( resid 89 and name HN
) 4.5 0.4 0.4 volume=0.311 peak=761 ppm1=0.416 ppm2=7.430
assign ( resid 78 and name HA
)
( resid 24 and name HG2#
) 5.1 0.4 0.4 volume=0.338 peak=822 ppm1=3.836 ppm2=1.972
assign ( resid 80 and name HB2
)
( resid 77 and name HA
) 3.5 0.7 0.7 volume=0.539 peak=387 ppm1=2.877 ppm2=3.824
assign ( resid 75 and name HG1#
)
( resid 75 and name HB
) 2.2 0.4 0.4 volume=3.208 peak=216 ppm1=0.896 ppm2=2.288
assign ( resid 70 and name HA
)
( resid 72 and name HD1
) 4.5 0.8 0.8 volume=0.269 peak=288 ppm1=4.552 ppm2=3.257
assign ( resid 51 and name HD1#
)
( resid 90 and name HG12
) 3.5 0.5 0.5 volume=0.540 peak=488 ppm1=0.608 ppm2=1.511
assign ( resid 53 and name HA
)
( resid 57 and name HB1
) 4.7 0.8 0.8 volume=0.289 peak=349 ppm1=4.133 ppm2=2.166
assign ( resid 79 and name HA
)
( resid 79 and name HB#
) 2.6 0.7 0.7 volume=1.455 peak=1075 ppm1=3.898 ppm2=0.928
assign ( resid 74 and name HB1
)
( resid 74 and name HN
) 3.7 0.4 0.4 volume=0.450 peak=399 ppm1=1.945 ppm2=7.856
assign ( resid 11 and name HA
)
( resid 12 and name HA
) 4.5 0.7 0.7 volume=0.568 peak=258 ppm1=4.193 ppm2=3.084
assign ( resid 11 and name HA
)
( resid 12 and name HN
) 3.8 0.8 0.8 volume=0.358 peak=85 ppm1=4.204 ppm2=8.036
assign ( resid 16 and name HA
)
( resid 16 and name HG1
) 3.2 0.6 0.6 volume=1.023 peak=734 ppm1=3.701 ppm2=1.341
assign ( resid 43 and name HB2
)
( resid 43 and name HG2
) 2.8 0.8 0.6 volume=3.278 peak=678 ppm1=2.414 ppm2=2.016
assign ( resid 77 and name HB
)
( resid 77 and name HG1#
) 2.7 0.7 0.7 volume=2.361 peak=945 ppm1=2.141 ppm2=1.032
assign ( resid 3 and name HA
)
( resid 4 and name HN
) 3.5 0.4 0.4 volume=1.123 peak=262 ppm1=3.889 ppm2=7.666
assign ( resid 24 and name HA
)
( resid 25 and name HG1
) 4.3 0.4 0.4 volume=0.455 peak=894 ppm1=4.017 ppm2=1.408
assign ( resid 59 and name HA
)
( resid 60 and name HN
) 3.9 0.8 0.8 volume=0.316 peak=695 ppm1=3.741 ppm2=7.624
assign ( resid 87 and name HG2
)
( resid 53 and name HD1#
) 3.7 0.4 0.4 volume=1.280 peak=329 ppm1=1.545 ppm2=1.034
assign ( resid 86 and name HG2#
)
( resid 87 and name HB1
) 5.4 0.4 0.4 volume=0.530 peak=512 ppm1=-0.518 ppm2=1.656
assign ( resid 46 and name HA
)
( resid 47 and name HN
) 4.2 0.8 0.8 volume=0.196 peak=277 ppm1=4.021 ppm2=6.506
assign ( resid 86 and name HB
)
( resid 86 and name HG11
) 3.0 0.7 0.7 volume=0.518 peak=421 ppm1=1.918 ppm2=1.381
assign ( resid 12 and name HB
)
( resid 9 and name HA
) 3.2 0.6 0.6 volume=1.010 peak=178 ppm1=2.050 ppm2=3.981
assign ( resid 75 and name HG1#
)
( resid 74 and name HN
) 4.8 0.4 0.4 volume=0.489 peak=924 ppm1=0.907 ppm2=8.204
assign ( resid 21 and name HA
)
( resid 21 and name HG1
) 3.0 0.6 0.6 volume=1.449 peak=757 ppm1=4.099 ppm2=1.344
assign ( resid 14 and name HB2
)
( resid 14 and name HA
) 3.9 1.4 0.8 volume=0.300 peak=222 ppm1=2.189 ppm2=3.703
assign ( resid 98 and name HA
)
( resid 102 and name HB#
) 4.1 0.8 0.8 volume=0.695 peak=95 ppm1=3.920 ppm2=1.263
assign ( resid 80 and name HA
)
( resid 79 and name HA
) 4.1 0.6 0.6 volume=1.198 peak=193 ppm1=4.409 ppm2=3.863
assign ( resid 16 and name HB1
)
( resid 16 and name HE1
) 3.8 0.8 0.8 volume=0.379 peak=966 ppm1=1.770 ppm2=2.830
assign ( resid 59 and name HN
)
( resid 57 and name HN
) 4.4 0.4 0.4 volume=0.043 peak=485 ppm1=3.778 ppm2=4.412
assign ( resid 98 and name HB1
)
( resid 98 and name HN
) 2.9 0.6 0.6 volume=1.748 peak=211 ppm1=2.218 ppm2=8.307
assign ( resid 77 and name HG1#
)
( resid 80 and name HB2
) 4.9 1.0 1.0 volume=0.231 peak=970 ppm1=0.960 ppm2=2.828
assign ( resid 88 and name HB1
)
( resid 87 and name HB1
) 3.5 0.8 0.9 volume=1.530 peak=953 ppm1=1.961 ppm2=1.691
assign ( resid 73 and name HB1
)
( resid 74 and name HN
) 3.5 0.4 0.4 volume=0.883 peak=429 ppm1=1.970 ppm2=8.175
assign ( resid 45 and name HA
)
( resid 45 and name HN
) 2.6 0.7 0.7 volume=0.465 peak=80 ppm1=3.997 ppm2=7.258
assign ( resid 88 and name HA
)
( resid 90 and name HN
) 4.4 0.4 0.4 volume=0.990 peak=1049 ppm1=3.847 ppm2=7.824
assign ( resid 57 and name HA
)
( resid 59 and name HN
) 4.5 0.5 0.5 volume=0.478 peak=326 ppm1=4.410 ppm2=7.926
assign ( resid 72 and name HD1
)
( resid 70 and name HA
) 4.8 0.7 0.7 volume=0.863 peak=88 ppm1=3.289 ppm2=4.578
assign ( resid 19 and name HD1#
)
( resid 19 and name HB1
) 3.0 0.7 0.7 volume=1.744 peak=375 ppm1=0.604 ppm2=1.378
assign ( resid 59 and name HG2#
)
( resid 62 and name HN
) 5.0 1.0 1.0 volume=0.194 peak=205 ppm1=0.451 ppm2=8.971
assign ( resid 80 and name HB2
)
( resid 78 and name HN
) 5.7 0.3 0.3 volume=0.208 peak=987 ppm1=2.847 ppm2=8.371
assign ( resid 75 and name HG2#
)
( resid 77 and name HG2#
) 5.7 0.4 0.4 volume=0.325 peak=389 ppm1=0.904 ppm2=1.187
assign ( resid 87 and name HD1
)
( resid 88 and name HA
) 2.5 0.4 0.4 volume=0.429 peak=748 ppm1=1.568 ppm2=3.764
assign ( resid 116 and name HB
)
( resid 117 and name HB1
) 5.6 1.1 1.1 volume=0.036 peak=6 ppm1=4.154 ppm2=2.571
assign ( resid 38 and name HA
)
( resid 38 and name HG2#
) 2.6 0.7 0.7 volume=1.601 peak=223 ppm1=3.046 ppm2=0.614
assign ( resid 51 and name HB
)
( resid 90 and name HG11
) 5.5 0.5 0.5 volume=0.272 peak=672 ppm1=1.944 ppm2=1.371
assign ( resid 39 and name HA
)
( resid 46 and name HG1
) 5.2 0.4 0.4 volume=0.881 peak=1014 ppm1=3.452 ppm2=2.097
assign ( resid 51 and name HD1#
)
( resid 51 and name HB
) 2.8 0.8 0.8 volume=1.149 peak=817 ppm1=0.607 ppm2=1.956
assign ( resid 21 and name HA
)
( resid 23 and name HA2
) 4.5 0.8 0.8 volume=0.230 peak=881 ppm1=4.096 ppm2=3.823
assign ( resid 18 and name HA
)
( resid 17 and name HB1
) 4.7 0.7 0.7 volume=0.402 peak=147 ppm1=3.779 ppm2=2.130
assign ( resid 61 and name HB2
)
( resid 62 and name HN
) 4.0 0.8 0.8 volume=0.257 peak=242 ppm1=2.674 ppm2=7.795
assign ( resid 16 and name HA
)
( resid 16 and name HB1
) 3.0 0.6 0.6 volume=1.362 peak=320 ppm1=3.701 ppm2=1.742
assign ( resid 59 and name HG1#
)
( resid 40 and name HA
) 3.3 0.4 0.4 volume=0.200 peak=325 ppm1=-0.327 ppm2=2.066
assign ( resid 26 and name HG2#
)
( resid 26 and name HN
) 2.9 0.4 0.4 volume=0.778 peak=932 ppm1=0.678 ppm2=7.379
assign ( resid 73 and name HB1
)
( resid 74 and name HG1
) 4.4 0.7 0.7 volume=0.756 peak=209 ppm1=2.002 ppm2=1.363
assign ( resid 69 and name HG1
)
( resid 69 and name HA
) 2.8 0.6 0.6 volume=2.083 peak=432 ppm1=0.247 ppm2=3.830
assign ( resid 98 and name HA
)
( resid 97 and name HA
) 4.4 0.4 0.4 volume=0.465 peak=268 ppm1=3.926 ppm2=4.407
assign ( resid 59 and name HG2#
)
( resid 59 and name HG1#
) 2.1 0.3 0.3 volume=2.119 peak=1004 ppm1=0.457 ppm2=-0.323
assign ( resid 66 and name HA
)
( resid 66 and name HB2
) 3.0 0.7 0.7 volume=0.658 peak=558 ppm1=4.494 ppm2=3.283
assign ( resid 102 and name HB#
)
( resid 98 and name HB1
) 4.5 0.4 0.4 volume=1.575 peak=469 ppm1=1.291 ppm2=2.166
assign ( resid 86 and name HG2#
)
( resid 56 and name HA
) 5.3 1.1 1.1 volume=0.148 peak=201 ppm1=-0.498 ppm2=4.641
assign ( resid 50 and name HB
)
( resid 99 and name HG2#
) 3.2 0.5 0.5 volume=0.277 peak=125 ppm1=4.236 ppm2=0.825
assign ( resid 22 and name HA
)
( resid 21 and name HN
) 4.4 0.7 0.7 volume=0.506 peak=430 ppm1=4.369 ppm2=7.290
assign ( resid 79 and name HA
)
( resid 78 and name HB
) 3.7 0.7 0.7 volume=0.405 peak=815 ppm1=3.902 ppm2=1.467
assign ( resid 46 and name HA
)
( resid 46 and name HD1
) 4.1 0.8 0.8 volume=0.240 peak=1050 ppm1=4.001 ppm2=3.194
assign ( resid 86 and name HB
)
( resid 86 and name HD1#
) 4.0 0.8 0.8 volume=0.811 peak=460 ppm1=1.930 ppm2=0.737
assign ( resid 53 and name HG2#
)
( resid 53 and name HG12
) 2.2 0.3 0.3 volume=4.585 peak=357 ppm1=1.047 ppm2=1.586
assign ( resid 54 and name HA
)
( resid 58 and name HN
) 4.1 0.7 0.7 volume=0.501 peak=575 ppm1=4.111 ppm2=7.630
assign ( resid 108 and name HG1
)
( resid 109 and name HN
) 4.8 0.7 0.7 volume=0.421 peak=395 ppm1=2.142 ppm2=8.143
assign ( resid 97 and name HD2
)
( resid 97 and name HG2
) 2.3 0.3 0.3 volume=1.099 peak=427 ppm1=3.728 ppm2=1.950
assign ( resid 98 and name HA
)
( resid 100 and name HN
) 3.4 0.7 0.7 volume=0.678 peak=107 ppm1=3.933 ppm2=7.437
assign ( resid 38 and name HB
)
( resid 38 and name HG1#
) 2.9 0.8 0.8 volume=0.829 peak=249 ppm1=2.219 ppm2=0.553
assign ( resid 14 and name HA
)
( resid 14 and name HG1
) 3.9 1.5 0.8 volume=0.288 peak=744 ppm1=3.653 ppm2=2.522
assign ( resid 16 and name HB1
)
( resid 16 and name HG1
) 2.5 0.5 0.5 volume=4.164 peak=278 ppm1=1.771 ppm2=1.358
assign ( resid 78 and name HD1#
)
( resid 25 and name HG2
) 5.5 0.4 0.4 volume=0.260 peak=562 ppm1=0.097 ppm2=2.128
assign ( resid 43 and name HA
)
( resid 43 and name HD1
) 3.5 0.7 0.7 volume=0.542 peak=1035 ppm1=4.314 ppm2=3.893
assign ( resid 53 and name HD1#
)
( resid 53 and name HB
) 2.3 0.3 0.3 volume=1.833 peak=71 ppm1=0.976 ppm2=1.885
assign ( resid 18 and name HB#
)
( resid 15 and name HB1
) 4.0 0.8 0.8 volume=0.811 peak=942 ppm1=1.327 ppm2=1.690
assign ( resid 77 and name HB
)
( resid 78 and name HG11
) 4.9 0.6 0.6 volume=0.223 peak=232 ppm1=2.135 ppm2=0.625
assign ( resid 18 and name HB#
)
( resid 19 and name HA
) 3.3 0.7 0.7 volume=2.626 peak=1067 ppm1=1.325 ppm2=3.767
assign ( resid 53 and name HB
)
( resid 53 and name HN
) 2.4 0.3 0.3 volume=0.815 peak=500 ppm1=1.919 ppm2=8.743
assign ( resid 77 and name HG1#
)
( resid 81 and name HA
) 5.9 0.4 0.4 volume=0.277 peak=982 ppm1=0.960 ppm2=4.181
assign ( resid 12 and name HG2#
)
( resid 31 and name HA
) 5.1 1.0 1.0 volume=0.186 peak=809 ppm1=1.136 ppm2=3.548
assign ( resid 11 and name HA
)
( resid 15 and name HD1#
) 5.1 1.0 1.0 volume=0.189 peak=55 ppm1=4.186 ppm2=0.245
assign ( resid 20 and name HG2
)
( resid 26 and name HG2#
) 4.2 0.4 0.4 volume=0.827 peak=1 ppm1=3.706 ppm2=0.706
assign ( resid 25 and name HA
)
( resid 24 and name HG1#
) 4.8 0.7 0.4 volume=0.555 peak=798 ppm1=4.343 ppm2=0.812
assign ( resid 29 and name HB#
)
( resid 33 and name HE1
) 5.7 0.4 0.4 volume=0.458 peak=343 ppm1=1.165 ppm2=2.934
assign ( resid 61 and name HB1
)
( resid 59 and name HA
) 5.1 0.4 0.4 volume=0.213 peak=271 ppm1=2.697 ppm2=3.822
assign ( resid 79 and name HB#
)
( resid 78 and name HG11
) 5.6 0.4 0.4 volume=1.329 peak=307 ppm1=0.930 ppm2=0.509
assign ( resid 11 and name HB1
)
( resid 12 and name HG2#
) 4.6 0.9 0.9 volume=0.322 peak=721 ppm1=3.011 ppm2=1.074
assign ( resid 65 and name HB1
)
( resid 61 and name HA
) 4.0 0.6 0.9 volume=1.451 peak=610 ppm1=2.784 ppm2=4.257
assign ( resid 33 and name HB2
)
( resid 33 and name HN
) 2.9 0.7 0.7 volume=0.875 peak=238 ppm1=1.886 ppm2=7.151
assign ( resid 27 and name HB1
)
( resid 27 and name HA
) 3.3 0.7 0.7 volume=0.784 peak=366 ppm1=1.643 ppm2=4.290
assign ( resid 12 and name HG2#
)
( resid 16 and name HD1
) 4.5 0.9 0.9 volume=0.380 peak=989 ppm1=1.124 ppm2=1.636
assign ( resid 24 and name HG2#
)
( resid 77 and name HG2#
) 5.0 0.4 0.4 volume=1.382 peak=30 ppm1=0.837 ppm2=1.119
assign ( resid 70 and name HA
)
( resid 71 and name HN
) 3.4 0.7 0.7 volume=0.758 peak=67 ppm1=4.579 ppm2=8.042
assign ( resid 77 and name HA
)
( resid 80 and name HN
) 4.0 0.8 0.8 volume=0.259 peak=619 ppm1=3.810 ppm2=7.551
assign ( resid 39 and name HA
)
( resid 39 and name HG1
) 3.2 0.6 0.6 volume=1.034 peak=8 ppm1=3.453 ppm2=1.355
assign ( resid 29 and name HB#
)
( resid 30 and name HB1
) 4.9 0.4 0.4 volume=0.193 peak=978 ppm1=1.174 ppm2=2.684
assign ( resid 111 and name HD1
)
( resid 111 and name HE1
) 3.1 0.6 0.6 volume=1.268 peak=586 ppm1=1.537 ppm2=2.929
assign ( resid 15 and name HD1#
)
( resid 85 and name HD2#
) 2.5 0.5 0.6 volume=0.062 peak=532 ppm1=0.316 ppm2=-0.608
assign ( resid 90 and name HG2#
)
( resid 51 and name HD1#
) 4.3 0.9 0.9 volume=1.631 peak=550 ppm1=0.425 ppm2=0.672
assign ( resid 113 and name HB1
)
( resid 113 and name HN
) 3.4 0.7 0.7 volume=0.699 peak=236 ppm1=2.718 ppm2=7.948
assign ( resid 116 and name HB
)
( resid 117 and name HN
) 3.0 0.8 0.8 volume=0.289 peak=655 ppm1=4.159 ppm2=8.335
assign ( resid 69 and name HG1
)
( resid 69 and name HB
) 2.8 0.6 0.6 volume=2.238 peak=108 ppm1=0.244 ppm2=3.559
assign ( resid 3 and name HA
)
( resid 4 and name HN
) 3.5 0.4 0.4 volume=0.654 peak=19 ppm1=3.887 ppm2=8.147
assign ( resid 3 and name HA
)
( resid 5 and name HD1#
) 5.6 0.4 0.4 volume=1.066 peak=404 ppm1=3.891 ppm2=0.806
assign ( resid 90 and name HD1#
)
( resid 53 and name HB
) 4.7 0.4 0.4 volume=0.302 peak=233 ppm1=0.241 ppm2=1.849
assign ( resid 99 and name HA
)
( resid 100 and name HA
) 4.7 0.3 0.3 volume=0.359 peak=769 ppm1=3.423 ppm2=3.828
assign ( resid 53 and name HG11
)
( resid 87 and name HA
) 4.3 0.4 0.5 volume=0.479 peak=1006 ppm1=1.532 ppm2=3.270
assign ( resid 38 and name HG1#
)
( resid 37 and name HN
) 5.0 1.0 1.0 volume=0.209 peak=82 ppm1=0.511 ppm2=8.942
assign ( resid 14 and name HA
)
( resid 14 and name HB2
) 3.3 0.7 0.7 volume=0.907 peak=618 ppm1=3.649 ppm2=2.190
assign ( resid 117 and name HB2
)
( resid 117 and name HA
) 2.9 0.5 0.5 volume=1.167 peak=676 ppm1=2.677 ppm2=4.577
assign ( resid 53 and name HB
)
( resid 53 and name HG2#
) 2.4 0.7 0.7 volume=1.955 peak=438 ppm1=1.919 ppm2=1.026
assign ( resid 64 and name HB1
)
( resid 63 and name HN
) 4.0 0.8 0.8 volume=0.273 peak=912 ppm1=2.151 ppm2=8.682
assign ( resid 59 and name HG1#
)
( resid 59 and name HG2#
) 2.7 0.7 0.7 volume=3.530 peak=475 ppm1=-0.333 ppm2=0.467
assign ( resid 108 and name HA
)
( resid 108 and name HB1
) 2.9 0.6 0.6 volume=1.722 peak=1062 ppm1=4.182 ppm2=1.827
assign ( resid 61 and name HB2
)
( resid 61 and name HN
) 3.4 0.7 0.7 volume=0.664 peak=139 ppm1=2.689 ppm2=8.247
assign ( resid 11 and name HA
)
( resid 11 and name HN
) 3.5 0.7 0.7 volume=0.578 peak=581 ppm1=4.194 ppm2=7.593
assign ( resid 86 and name HB
)
( resid 87 and name HB1
) 4.4 0.7 0.7 volume=0.716 peak=1070 ppm1=1.908 ppm2=1.673
assign ( resid 57 and name HA
)
( resid 57 and name HB1
) 3.1 0.6 0.6 volume=1.190 peak=345 ppm1=4.407 ppm2=2.165
assign ( resid 116 and name HB
)
( resid 118 and name HD2#
) 5.8 0.4 0.3 volume=0.297 peak=756 ppm1=4.170 ppm2=0.831
assign ( resid 47 and name HA
)
( resid 47 and name HG1
) 3.5 0.7 0.5 volume=2.828 peak=408 ppm1=3.934 ppm2=2.418
assign ( resid 14 and name HB2
)
( resid 10 and name HG2
) 4.9 0.4 0.4 volume=0.389 peak=647 ppm1=2.202 ppm2=1.571
assign ( resid 48 and name HB1
)
( resid 47 and name HN
) 5.5 0.4 0.4 volume=1.093 peak=623 ppm1=2.094 ppm2=6.523
assign ( resid 77 and name HG1#
)
( resid 24 and name HA
) 5.0 0.5 0.5 volume=1.463 peak=722 ppm1=3.861 ppm2=4.055
assign ( resid 97 and name HD2
)
( resid 98 and name HA
) 5.2 0.4 0.4 volume=0.232 peak=1081 ppm1=3.722 ppm2=3.981
assign ( resid 16 and name HG1
)
( resid 16 and name HE1
) 3.4 0.7 0.7 volume=0.714 peak=373 ppm1=1.292 ppm2=2.957
assign ( resid 73 and name HB1
)
( resid 74 and name HN
) 3.5 0.4 0.4 volume=1.875 peak=194 ppm1=1.980 ppm2=7.502
assign ( resid 110 and name HA
)
( resid 108 and name HB1
) 5.1 0.4 0.4 volume=0.674 peak=231 ppm1=4.275 ppm2=1.848
assign ( resid 24 and name HG1#
)
( resid 24 and name HN
) 2.9 0.4 0.4 volume=1.078 peak=893 ppm1=0.834 ppm2=7.527
assign ( resid 75 and name HG1#
)
( resid 76 and name HD1
) 5.0 0.4 0.4 volume=0.533 peak=697 ppm1=0.903 ppm2=3.301
assign ( resid 57 and name HA
)
( resid 57 and name HD1
) 4.2 0.7 0.7 volume=0.416 peak=554 ppm1=4.409 ppm2=3.227
assign ( resid 18 and name HB#
)
( resid 20 and name HN
) 4.8 1.0 1.0 volume=0.269 peak=289 ppm1=1.337 ppm2=8.321
assign ( resid 38 and name HG2#
)
( resid 38 and name HG1#
) 2.7 0.7 0.7 volume=4.046 peak=723 ppm1=0.648 ppm2=0.465
assign ( resid 118 and name HA
)
( resid 117 and name HA
) 3.9 0.9 0.9 volume=0.592 peak=279 ppm1=4.171 ppm2=4.564
assign ( resid 33 and name HB2
)
( resid 33 and name HA
) 2.7 0.5 0.5 volume=2.928 peak=1036 ppm1=1.888 ppm2=4.123
assign ( resid 53 and name HA
)
( resid 53 and name HN
) 3.7 0.7 0.7 volume=0.412 peak=177 ppm1=4.126 ppm2=8.782
assign ( resid 33 and name HB1
)
( resid 33 and name HD2
) 2.5 0.3 0.4 volume=4.582 peak=31 ppm1=1.893 ppm2=1.645
assign ( resid 74 and name HA
)
( resid 74 and name HE1
) 4.2 0.6 0.6 volume=1.144 peak=829 ppm1=4.386 ppm2=3.181
assign ( resid 111 and name HD1
)
( resid 107 and name HB1
) 3.7 0.4 0.4 volume=2.429 peak=876 ppm1=1.548 ppm2=1.950
assign ( resid 53 and name HA
)
( resid 56 and name HB1
) 3.2 0.6 0.6 volume=0.980 peak=845 ppm1=4.133 ppm2=3.322
assign ( resid 11 and name HB1
)
( resid 15 and name HD2#
) 3.5 0.4 0.4 volume=0.189 peak=476 ppm1=3.006 ppm2=0.837
assign ( resid 46 and name HD2
)
( resid 44 and name HA
) 4.7 1.8 0.8 volume=0.217 peak=543 ppm1=3.629 ppm2=4.306
assign ( resid 90 and name HB
)
( resid 90 and name HA
) 3.9 1.8 0.8 volume=0.328 peak=381 ppm1=1.348 ppm2=3.443
assign ( resid 18 and name HA
)
( resid 21 and name HN
) 3.9 0.8 0.8 volume=0.327 peak=300 ppm1=3.791 ppm2=7.886
assign ( resid 61 and name HB2
)
( resid 61 and name HA
) 2.9 0.6 0.6 volume=1.661 peak=824 ppm1=2.695 ppm2=4.277
assign ( resid 38 and name HB
)
( resid 38 and name HN
) 3.0 0.7 0.7 volume=0.623 peak=106 ppm1=2.221 ppm2=8.276
assign ( resid 24 and name HA
)
( resid 25 and name HN
) 2.3 0.4 0.4 volume=0.926 peak=295 ppm1=4.007 ppm2=8.704
assign ( resid 51 and name HD1#
)
( resid 53 and name HG11
) 4.0 0.4 0.4 volume=1.097 peak=66 ppm1=0.982 ppm2=1.234
assign ( resid 59 and name HG2#
)
( resid 60 and name HN
) 4.1 0.8 0.8 volume=0.684 peak=943 ppm1=0.454 ppm2=7.578
assign ( resid 79 and name HA
)
( resid 78 and name HG2#
) 4.6 0.9 0.9 volume=0.322 peak=35 ppm1=3.893 ppm2=0.663
assign ( resid 93 and name HD1
)
( resid 93 and name HE1
) 3.0 0.4 0.4 volume=4.865 peak=60 ppm1=1.698 ppm2=2.959
assign ( resid 14 and name HB1
)
( resid 14 and name HB2
) 2.2 0.5 0.5 volume=3.830 peak=704 ppm1=2.187 ppm2=1.921
assign ( resid 76 and name HD1
)
( resid 76 and name HG1
) 2.3 0.2 0.2 volume=0.796 peak=799 ppm1=3.331 ppm2=1.634
assign ( resid 41 and name HG2#
)
( resid 41 and name HB
) 2.7 0.6 0.6 volume=3.900 peak=712 ppm1=0.733 ppm2=1.707
assign ( resid 111 and name HG1
)
( resid 111 and name HB2
) 2.7 0.5 0.5 volume=2.954 peak=743 ppm1=1.382 ppm2=1.876
assign ( resid 110 and name HA
)
( resid 109 and name HA
) 4.0 0.8 0.8 volume=0.251 peak=115 ppm1=4.275 ppm2=3.964
assign ( resid 25 and name HE1
)
( resid 26 and name HN
) 3.5 0.5 0.5 volume=0.327 peak=370 ppm1=2.928 ppm2=7.222
assign ( resid 116 and name HA
)
( resid 116 and name HN
) 2.9 0.7 0.7 volume=0.522 peak=793 ppm1=4.228 ppm2=8.025
assign ( resid 76 and name HD1
)
( resid 76 and name HA
) 3.5 0.7 0.7 volume=0.581 peak=441 ppm1=3.327 ppm2=4.512
assign ( resid 17 and name HG2
)
( resid 17 and name HA
) 2.7 0.5 0.5 volume=2.537 peak=312 ppm1=2.399 ppm2=3.938
assign ( resid 101 and name HA
)
( resid 103 and name HN
) 3.6 0.4 0.4 volume=0.175 peak=642 ppm1=4.210 ppm2=8.818
assign ( resid 12 and name HG2#
)
( resid 9 and name HG1
) 5.4 0.4 0.4 volume=0.027 peak=689 ppm1=1.137 ppm2=2.420
assign ( resid 22 and name HA
)
( resid 22 and name HB2
) 3.1 0.6 0.6 volume=1.128 peak=923 ppm1=4.354 ppm2=2.059
assign ( resid 5 and name HA
)
( resid 4 and name HN
) 4.7 0.7 0.7 volume=0.436 peak=832 ppm1=3.702 ppm2=8.120
assign ( resid 14 and name HB2
)
( resid 11 and name HB1
) 4.9 0.6 0.6 volume=1.157 peak=206 ppm1=2.184 ppm2=3.278
assign ( resid 76 and name HD1
)
( resid 72 and name HG2
) 4.5 0.5 0.5 volume=0.686 peak=451 ppm1=3.342 ppm2=2.098
assign ( resid 84 and name HA
)
( resid 88 and name HN
) 4.6 0.3 0.4 volume=1.755 peak=203 ppm1=4.209 ppm2=7.720
assign ( resid 12 and name HG2#
)
( resid 13 and name HN
) 4.4 0.9 0.9 volume=0.430 peak=396 ppm1=1.135 ppm2=8.311
assign ( resid 104 and name HA
)
( resid 108 and name HN
) 5.2 0.4 0.4 volume=0.157 peak=457 ppm1=4.264 ppm2=7.600
assign ( resid 108 and name HA
)
( resid 108 and name HN
) 2.7 0.7 0.7 volume=0.444 peak=418 ppm1=4.168 ppm2=8.348
assign ( resid 53 and name HB
)
( resid 52 and name HA
) 3.9 0.8 0.8 volume=0.295 peak=150 ppm1=1.916 ppm2=4.662
assign ( resid 59 and name HG2#
)
( resid 63 and name HN
) 5.9 1.2 1.2 volume=0.078 peak=805 ppm1=0.453 ppm2=8.624
assign ( resid 69 and name HA
)
( resid 69 and name HG1
) 3.0 0.6 0.6 volume=1.356 peak=745 ppm1=3.837 ppm2=0.254
assign ( resid 12 and name HA
)
( resid 12 and name HB
) 3.8 0.8 0.8 volume=0.333 peak=276 ppm1=3.091 ppm2=2.027
assign ( resid 48 and name HB1
)
( resid 45 and name HB2
) 5.0 0.4 0.4 volume=0.617 peak=1020 ppm1=2.100 ppm2=2.617
assign ( resid 69 and name HA
)
( resid 70 and name HN
) 3.5 0.7 0.7 volume=0.595 peak=142 ppm1=3.826 ppm2=8.489
assign ( resid 104 and name HA
)
( resid 104 and name HB#
) 2.5 0.4 0.4 volume=0.550 peak=559 ppm1=4.259 ppm2=1.323
assign ( resid 74 and name HA
)
( resid 74 and name HG1
) 3.2 0.6 0.6 volume=0.960 peak=77 ppm1=4.383 ppm2=1.364
assign ( resid 43 and name HA
)
( resid 44 and name HN
) 4.4 0.9 0.9 volume=0.154 peak=237 ppm1=4.314 ppm2=6.581
assign ( resid 24 and name HB
)
( resid 24 and name HN
) 2.3 0.4 0.4 volume=0.800 peak=604 ppm1=1.947 ppm2=7.469
assign ( resid 16 and name HB1
)
( resid 20 and name HN
) 4.5 0.8 0.8 volume=1.416 peak=471 ppm1=1.773 ppm2=8.354
assign ( resid 38 and name HG1#
)
( resid 39 and name HG1
) 4.3 0.9 0.9 volume=0.484 peak=15 ppm1=0.478 ppm2=1.448
assign ( resid 99 and name HA
)
( resid 102 and name HB#
) 3.8 0.8 0.8 volume=1.100 peak=595 ppm1=3.426 ppm2=1.310
assign ( resid 98 and name HB1
)
( resid 50 and name HA
) 3.8 0.4 0.4 volume=2.004 peak=163 ppm1=2.188 ppm2=4.136
assign ( resid 101 and name HB#
)
( resid 100 and name HN
) 3.6 0.7 0.7 volume=1.407 peak=62 ppm1=1.401 ppm2=7.539
assign ( resid 39 and name HB2
)
( resid 35 and name HA
) 4.7 0.8 0.8 volume=0.218 peak=693 ppm1=1.969 ppm2=3.702
assign ( resid 53 and name HB
)
( resid 51 and name HD1#
) 5.8 0.4 0.4 volume=0.538 peak=522 ppm1=1.922 ppm2=0.606
assign ( resid 117 and name HB2
)
( resid 118 and name HD2#
) 4.3 0.9 0.9 volume=0.515 peak=566 ppm1=2.683 ppm2=0.825
assign ( resid 52 and name HA
)
( resid 51 and name HD1#
) 4.4 0.9 0.9 volume=0.450 peak=405 ppm1=4.594 ppm2=0.622
assign ( resid 84 and name HB1
)
( resid 84 and name HA
) 2.7 0.4 0.4 volume=0.859 peak=450 ppm1=2.913 ppm2=4.209
assign ( resid 79 and name HB#
)
( resid 77 and name HG2#
) 5.4 1.1 1.1 volume=0.401 peak=254 ppm1=0.919 ppm2=1.165
assign ( resid 107 and name HB1
)
( resid 108 and name HN
) 3.9 0.8 0.8 volume=0.300 peak=42 ppm1=1.877 ppm2=7.391
assign ( resid 16 and name HB2
)
( resid 12 and name HG1#
) 4.4 0.9 0.9 volume=0.451 peak=649 ppm1=1.765 ppm2=1.031
assign ( resid 86 and name HB
)
( resid 86 and name HA
) 4.1 1.0 1.0 volume=0.063 peak=804 ppm1=1.919 ppm2=3.502
assign ( resid 53 and name HG12
)
( resid 53 and name HG2#
) 2.7 0.6 0.6 volume=2.910 peak=213 ppm1=1.551 ppm2=1.017
assign ( resid 86 and name HD1#
)
( resid 86 and name HB
) 3.6 0.7 0.7 volume=1.448 peak=523 ppm1=0.783 ppm2=1.932
assign ( resid 124 and name HB1
)
( resid 124 and name HB2
) 1.8 0.3 0.3 volume=70.137 peak=854 ppm1=2.975 ppm2=3.098
assign ( resid 48 and name HB1
)
( resid 48 and name HN
) 2.9 0.6 0.6 volume=1.863 peak=1030 ppm1=2.096 ppm2=7.703
assign ( resid 98 and name HB1
)
( resid 50 and name HB
) 4.4 0.4 0.4 volume=0.302 peak=770 ppm1=2.191 ppm2=3.587
assign ( resid 29 and name HA
)
( resid 16 and name HD1
) 4.8 0.7 0.7 volume=0.473 peak=446 ppm1=3.654 ppm2=1.676
assign ( resid 12 and name HB
)
( resid 12 and name HG2#
) 2.9 0.8 0.8 volume=0.954 peak=664 ppm1=2.064 ppm2=1.119
assign ( resid 64 and name HB1
)
( resid 64 and name HA
) 3.0 0.6 0.6 volume=1.466 peak=671 ppm1=2.147 ppm2=4.267
assign ( resid 88 and name HB1
)
( resid 88 and name HN
) 2.7 0.6 0.6 volume=0.922 peak=659 ppm1=1.964 ppm2=7.879
assign ( resid 48 and name HB1
)
( resid 50 and name HG2#
) 3.6 0.5 0.5 volume=0.345 peak=681 ppm1=2.110 ppm2=1.190
assign ( resid 65 and name HB1
)
( resid 64 and name HN
) 4.9 0.4 0.4 volume=0.729 peak=750 ppm1=2.791 ppm2=8.264
assign ( resid 24 and name HG2#
)
( resid 19 and name HB1
) 4.4 0.4 0.4 volume=4.460 peak=634 ppm1=0.835 ppm2=1.409
assign ( resid 15 and name HD1#
)
( resid 19 and name HN
) 4.3 0.9 0.9 volume=0.493 peak=624 ppm1=0.340 ppm2=8.143
assign ( resid 41 and name HD1#
)
( resid 41 and name HA
) 3.6 1.6 0.7 volume=1.442 peak=356 ppm1=0.686 ppm2=4.008
assign ( resid 26 and name HB
)
( resid 26 and name HN
) 2.5 0.3 0.3 volume=0.188 peak=253 ppm1=1.768 ppm2=7.058
assign ( resid 29 and name HB#
)
( resid 30 and name HA
) 4.1 0.4 0.4 volume=0.385 peak=311 ppm1=1.168 ppm2=4.323
assign ( resid 52 and name HA
)
( resid 53 and name HN
) 3.0 0.7 0.7 volume=0.890 peak=527 ppm1=4.602 ppm2=8.744
assign ( resid 97 and name HA
)
( resid 98 and name HB1
) 5.4 0.4 0.4 volume=0.560 peak=698 ppm1=4.350 ppm2=2.197
assign ( resid 24 and name HG1#
)
( resid 23 and name HN
) 4.1 0.3 0.3 volume=0.552 peak=616 ppm1=0.835 ppm2=7.853
assign ( resid 19 and name HD1#
)
( resid 15 and name HB2
) 4.0 0.6 0.8 volume=3.132 peak=448 ppm1=0.606 ppm2=1.816
assign ( resid 5 and name HG
)
( resid 5 and name HB1
) 2.6 0.5 0.5 volume=3.499 peak=1019 ppm1=0.984 ppm2=1.351
assign ( resid 59 and name HG1#
)
( resid 60 and name HN
) 4.6 0.9 0.9 volume=0.422 peak=907 ppm1=-0.340 ppm2=7.632
assign ( resid 90 and name HD1#
)
( resid 90 and name HA
) 3.7 0.7 0.7 volume=1.219 peak=759 ppm1=0.236 ppm2=3.382
assign ( resid 66 and name HB2
)
( resid 67 and name HN
) 3.7 0.7 0.7 volume=0.400 peak=390 ppm1=3.312 ppm2=9.133
assign ( resid 7 and name HB1
)
( resid 7 and name HA
) 2.6 0.5 0.5 volume=3.600 peak=306 ppm1=2.053 ppm2=3.961
assign ( resid 35 and name HA
)
( resid 39 and name HB2
) 4.7 0.8 0.8 volume=0.268 peak=328 ppm1=3.803 ppm2=1.963
assign ( resid 54 and name HA
)
( resid 53 and name HB
) 3.9 0.6 0.6 volume=2.305 peak=477 ppm1=4.103 ppm2=1.922
assign ( resid 59 and name HG1#
)
( resid 63 and name HN
) 4.8 1.0 1.0 volume=0.253 peak=321 ppm1=-0.339 ppm2=8.617
assign ( resid 69 and name HG1
)
( resid 70 and name HN
) 3.8 0.8 0.8 volume=0.365 peak=143 ppm1=0.249 ppm2=8.566
assign ( resid 59 and name HG1#
)
( resid 59 and name HA
) 2.9 0.8 0.8 volume=0.961 peak=423 ppm1=-0.333 ppm2=3.769
assign ( resid 76 and name HA
)
( resid 77 and name HG2#
) 5.0 0.5 0.5 volume=0.019 peak=437 ppm1=4.549 ppm2=1.116
assign ( resid 25 and name HA
)
( resid 26 and name HN
) 2.8 0.4 0.4 volume=0.364 peak=1058 ppm1=4.322 ppm2=7.077
assign ( resid 59 and name HA
)
( resid 62 and name HB2
) 2.9 0.4 0.4 volume=0.286 peak=774 ppm1=3.763 ppm2=3.160
assign ( resid 99 and name HA
)
( resid 100 and name HN
) 4.4 0.9 0.9 volume=0.158 peak=910 ppm1=3.429 ppm2=7.551
assign ( resid 89 and name HA
)
( resid 91 and name HB2
) 4.2 0.6 0.6 volume=2.176 peak=1059 ppm1=3.889 ppm2=1.750
assign ( resid 116 and name HB
)
( resid 118 and name HB2
) 4.4 0.8 0.8 volume=0.194 peak=640 ppm1=4.142 ppm2=1.403
assign ( resid 109 and name HB
)
( resid 110 and name HN
) 4.4 0.9 0.9 volume=0.154 peak=440 ppm1=1.784 ppm2=8.201
assign ( resid 99 and name HG2#
)
( resid 98 and name HN
) 3.8 0.8 0.8 volume=1.010 peak=687 ppm1=0.834 ppm2=8.334
assign ( resid 17 and name HG2
)
( resid 17 and name HN
) 2.9 0.6 0.6 volume=1.759 peak=109 ppm1=2.397 ppm2=7.848
assign ( resid 12 and name HB
)
( resid 12 and name HG1#
) 2.8 0.8 0.8 volume=1.032 peak=92 ppm1=2.066 ppm2=0.608
assign ( resid 3 and name HA
)
( resid 5 and name HB1
) 3.6 0.4 0.4 volume=0.742 peak=505 ppm1=3.879 ppm2=1.316
assign ( resid 46 and name HD2
)
( resid 46 and name HG1
) 3.1 0.6 0.6 volume=1.206 peak=849 ppm1=3.633 ppm2=2.087
assign ( resid 93 and name HE1
)
( resid 93 and name HD1
) 3.0 0.4 0.4 volume=9.046 peak=486 ppm1=2.972 ppm2=1.670
assign ( resid 78 and name HD1#
)
( resid 79 and name HN
) 5.6 1.1 1.1 volume=0.101 peak=37 ppm1=0.100 ppm2=7.944
assign ( resid 78 and name HA
)
( resid 78 and name HG2#
) 2.6 0.7 0.7 volume=1.511 peak=259 ppm1=3.847 ppm2=0.602
assign ( resid 109 and name HA
)
( resid 108 and name HN
) 5.3 0.7 0.7 volume=0.758 peak=155 ppm1=4.044 ppm2=7.310
assign ( resid 102 and name HA
)
( resid 104 and name HN
) 4.7 0.4 0.4 volume=0.251 peak=410 ppm1=3.990 ppm2=8.375
assign ( resid 29 and name HB#
)
( resid 29 and name HA
) 3.2 1.2 0.6 volume=2.936 peak=397 ppm1=1.169 ppm2=3.661
assign ( resid 19 and name HD1#
)
( resid 85 and name HD1#
) 3.3 0.7 0.7 volume=6.859 peak=308 ppm1=0.605 ppm2=0.808
assign ( resid 9 and name HA
)
( resid 10 and name HN
) 3.5 0.7 0.7 volume=0.607 peak=611 ppm1=3.958 ppm2=8.906
assign ( resid 38 and name HG1#
)
( resid 38 and name HB
) 2.4 0.7 0.7 volume=1.990 peak=794 ppm1=0.479 ppm2=2.214
assign ( resid 93 and name HA
)
( resid 93 and name HG1
) 2.7 0.4 0.4 volume=0.195 peak=608 ppm1=4.518 ppm2=1.230
assign ( resid 111 and name HG1
)
( resid 111 and name HE1
) 2.8 0.6 0.6 volume=2.084 peak=365 ppm1=1.384 ppm2=2.941
assign ( resid 102 and name HB#
)
( resid 101 and name HA
) 4.4 0.9 0.9 volume=0.431 peak=74 ppm1=1.288 ppm2=4.228
assign ( resid 72 and name HD1
)
( resid 72 and name HD2
) 2.5 0.7 0.7 volume=0.628 peak=199 ppm1=3.272 ppm2=2.952
assign ( resid 41 and name HG2#
)
( resid 41 and name HN
) 4.2 1.8 1.2 volume=0.057 peak=358 ppm1=0.755 ppm2=8.788
assign ( resid 103 and name HG2#
)
( resid 100 and name HA
) 3.5 0.7 0.7 volume=1.693 peak=768 ppm1=1.011 ppm2=3.807
assign ( resid 38 and name HG2#
)
( resid 35 and name HA
) 3.8 0.4 0.4 volume=0.686 peak=1003 ppm1=0.646 ppm2=3.846
assign ( resid 86 and name HD1#
)
( resid 86 and name HG2#
) 2.3 0.9 0.9 volume=1.571 peak=96 ppm1=0.784 ppm2=-0.509
assign ( resid 86 and name HB
)
( resid 53 and name HG11
) 4.7 0.8 0.8 volume=0.374 peak=480 ppm1=1.916 ppm2=1.523
assign ( resid 50 and name HB
)
( resid 50 and name HA
) 2.9 0.8 0.8 volume=0.303 peak=275 ppm1=3.505 ppm2=4.198
assign ( resid 111 and name HB1
)
( resid 108 and name HN
) 4.6 0.4 0.4 volume=0.344 peak=1052 ppm1=1.711 ppm2=7.661
assign ( resid 19 and name HA
)
( resid 24 and name HB
) 4.8 0.4 0.4 volume=1.055 peak=497 ppm1=3.761 ppm2=1.849
assign ( resid 109 and name HB
)
( resid 109 and name HD1#
) 2.7 0.9 0.9 volume=0.287 peak=1083 ppm1=1.798 ppm2=0.768
assign ( resid 39 and name HB1
)
( resid 36 and name HA
) 4.5 0.6 0.6 volume=1.566 peak=212 ppm1=1.971 ppm2=4.079
assign ( resid 77 and name HG1#
)
( resid 77 and name HG2#
) 2.1 0.3 0.3 volume=14.959 peak=506 ppm1=0.960 ppm2=1.063
assign ( resid 12 and name HG2#
)
( resid 12 and name HB
) 2.4 1.3 1.3 volume=0.046 peak=1046 ppm1=1.131 ppm2=2.073
assign ( resid 84 and name HB2
)
( resid 84 and name HB1
) 1.8 0.4 0.4 volume=3.108 peak=993 ppm1=2.908 ppm2=3.095
assign ( resid 90 and name HA
)
( resid 90 and name HD1#
) 4.3 0.9 0.9 volume=0.536 peak=767 ppm1=3.409 ppm2=0.149
assign ( resid 11 and name HA
)
( resid 14 and name HB2
) 3.4 0.7 0.7 volume=0.743 peak=772 ppm1=4.208 ppm2=2.125
assign ( resid 43 and name HD1
)
( resid 40 and name HB1
) 5.6 0.4 0.4 volume=0.379 peak=392 ppm1=3.879 ppm2=2.703
assign ( resid 10 and name HA
)
( resid 11 and name HN
) 3.4 0.7 0.7 volume=0.738 peak=14 ppm1=4.113 ppm2=7.519
assign ( resid 41 and name HG2#
)
( resid 41 and name HA
) 2.6 0.7 0.7 volume=1.491 peak=103 ppm1=0.737 ppm2=4.047
assign ( resid 51 and name HD1#
)
( resid 86 and name HG2#
) 4.2 0.4 0.4 volume=0.008 peak=337 ppm1=0.619 ppm2=-0.479
assign ( resid 89 and name HA
)
( resid 89 and name HN
) 3.2 0.6 0.6 volume=0.937 peak=848 ppm1=3.886 ppm2=7.444
assign ( resid 77 and name HB
)
( resid 77 and name HN
) 2.8 0.6 0.6 volume=1.041 peak=36 ppm1=2.152 ppm2=8.468
assign ( resid 39 and name HB1
)
( resid 39 and name HG1
) 3.0 0.6 0.6 volume=1.499 peak=888 ppm1=1.983 ppm2=1.468
assign ( resid 17 and name HG1
)
( resid 16 and name HA
) 4.7 0.7 0.7 volume=0.403 peak=38 ppm1=2.406 ppm2=3.708
assign ( resid 78 and name HA
)
( resid 82 and name HN
) 4.7 0.4 0.4 volume=0.167 peak=72 ppm1=3.852 ppm2=8.380
assign ( resid 12 and name HG2#
)
( resid 11 and name HB2
) 5.1 1.0 1.0 volume=0.194 peak=751 ppm1=1.134 ppm2=3.226
assign ( resid 86 and name HB
)
( resid 53 and name HG2#
) 4.0 0.6 0.6 volume=0.143 peak=167 ppm1=1.920 ppm2=1.054
assign ( resid 6 and name HA
)
( resid 5 and name HD1#
) 4.5 0.7 0.7 volume=1.712 peak=274 ppm1=4.084 ppm2=0.749
assign ( resid 26 and name HG2#
)
( resid 26 and name HA
) 2.7 0.7 0.7 volume=1.311 peak=260 ppm1=0.674 ppm2=4.081
assign ( resid 77 and name HA
)
( resid 77 and name HB
) 3.2 0.6 0.6 volume=0.933 peak=673 ppm1=3.820 ppm2=2.144
assign ( resid 67 and name HB2
)
( resid 65 and name HN
) 5.2 1.0 1.0 volume=0.053 peak=909 ppm1=3.275 ppm2=8.359
assign ( resid 84 and name HA
)
( resid 84 and name HB2
) 3.3 0.7 0.7 volume=0.648 peak=461 ppm1=4.220 ppm2=3.164
assign ( resid 76 and name HD1
)
( resid 75 and name HG1#
) 5.0 0.4 0.4 volume=0.241 peak=724 ppm1=3.330 ppm2=0.883
assign ( resid 19 and name HA
)
( resid 21 and name HG1
) 3.2 0.6 0.6 volume=1.041 peak=334 ppm1=3.767 ppm2=1.377
assign ( resid 14 and name HA
)
( resid 15 and name HN
) 3.9 0.8 0.8 volume=0.291 peak=29 ppm1=3.649 ppm2=8.369
assign ( resid 84 and name HB1
)
( resid 85 and name HB2
) 5.3 0.4 0.4 volume=0.162 peak=632 ppm1=2.905 ppm2=1.819
assign ( resid 88 and name HG1
)
( resid 89 and name HA
) 2.8 0.6 0.6 volume=2.361 peak=73 ppm1=2.247 ppm2=3.877
assign ( resid 72 and name HD1
)
( resid 67 and name HA
) 4.7 0.4 0.4 volume=0.180 peak=400 ppm1=3.275 ppm2=4.034
assign ( resid 53 and name HG2#
)
( resid 57 and name HN
) 4.5 1.0 1.0 volume=0.153 peak=214 ppm1=1.042 ppm2=9.212
assign ( resid 39 and name HA
)
( resid 38 and name HG1#
) 4.1 1.0 1.0 volume=0.174 peak=340 ppm1=3.465 ppm2=0.520
assign ( resid 59 and name HB
)
( resid 56 and name HA
) 3.9 0.8 0.8 volume=0.291 peak=26 ppm1=1.501 ppm2=4.717
assign ( resid 15 and name HD1#
)
( resid 15 and name HB2
) 3.5 0.7 0.7 volume=1.627 peak=221 ppm1=0.331 ppm2=1.806
assign ( resid 10 and name HA
)
( resid 10 and name HN
) 3.2 0.8 0.8 volume=0.194 peak=592 ppm1=4.116 ppm2=8.929
assign ( resid 72 and name HD2
)
( resid 68 and name HA
) 3.1 0.6 0.6 volume=1.321 peak=902 ppm1=3.277 ppm2=4.305
assign ( resid 53 and name HD1#
)
( resid 89 and name HB2
) 5.3 0.4 0.4 volume=0.165 peak=121 ppm1=1.045 ppm2=2.400
assign ( resid 108 and name HB1
)
( resid 109 and name HN
) 3.0 0.6 0.6 volume=1.379 peak=508 ppm1=1.824 ppm2=8.138
assign ( resid 3 and name HA
)
( resid 3 and name HN
) 2.8 0.4 0.4 volume=0.451 peak=217 ppm1=3.904 ppm2=9.383
assign ( resid 41 and name HD1#
)
( resid 41 and name HG11
) 2.2 0.3 0.3 volume=4.877 peak=282 ppm1=0.686 ppm2=0.956
assign ( resid 118 and name HA
)
( resid 118 and name HN
) 3.0 0.6 0.6 volume=1.435 peak=1013 ppm1=4.155 ppm2=8.113
assign ( resid 47 and name HG2
)
( resid 47 and name HA
) 3.0 0.6 0.8 volume=2.311 peak=86 ppm1=2.443 ppm2=3.935
assign ( resid 15 and name HD1#
)
( resid 14 and name HB1
) 5.1 0.4 0.4 volume=0.131 peak=28 ppm1=0.334 ppm2=2.531
assign ( resid 53 and name HB
)
( resid 53 and name HA
) 3.3 0.7 0.7 volume=0.832 peak=738 ppm1=1.921 ppm2=4.124
assign ( resid 98 and name HA
)
( resid 98 and name HN
) 3.6 0.7 0.7 volume=0.479 peak=913 ppm1=3.933 ppm2=8.529
assign ( resid 79 and name HB#
)
( resid 78 and name HB
) 4.7 0.9 0.9 volume=0.316 peak=1071 ppm1=0.916 ppm2=1.468
assign ( resid 99 and name HG2#
)
( resid 99 and name HB
) 2.7 0.6 0.6 volume=2.867 peak=947 ppm1=0.791 ppm2=2.125
assign ( resid 116 and name HA
)
( resid 116 and name HG1
) 3.0 0.6 0.6 volume=1.386 peak=1000 ppm1=4.221 ppm2=1.134
assign ( resid 69 and name HG1
)
( resid 68 and name HN
) 4.8 1.0 1.0 volume=0.092 peak=674 ppm1=0.248 ppm2=8.846
assign ( resid 90 and name HG2#
)
( resid 53 and name HD1#
) 2.6 0.4 0.4 volume=0.195 peak=960 ppm1=0.424 ppm2=0.997
assign ( resid 35 and name HB1
)
( resid 32 and name HN
) 5.0 0.5 0.5 volume=0.343 peak=382 ppm1=2.904 ppm2=8.783
assign ( resid 99 and name HA
)
( resid 50 and name HA
) 5.2 0.5 0.5 volume=0.114 peak=818 ppm1=3.434 ppm2=4.142
assign ( resid 29 and name HB#
)
( resid 30 and name HN
) 2.8 0.4 0.4 volume=1.017 peak=218 ppm1=1.167 ppm2=6.886
assign ( resid 78 and name HD1#
)
( resid 76 and name HG1
) 4.5 1.0 1.0 volume=0.215 peak=1021 ppm1=0.114 ppm2=1.680
assign ( resid 19 and name HD1#
)
( resid 19 and name HA
) 4.0 0.7 0.7 volume=2.421 peak=377 ppm1=0.604 ppm2=3.779
assign ( resid 111 and name HB1
)
( resid 108 and name HN
) 4.6 0.5 0.5 volume=0.695 peak=355 ppm1=1.715 ppm2=8.347
assign ( resid 88 and name HA
)
( resid 86 and name HG2#
) 5.8 1.2 1.2 volume=0.085 peak=665 ppm1=3.833 ppm2=-0.482
assign ( resid 59 and name HG2#
)
( resid 43 and name HG1
) 4.2 0.4 0.4 volume=0.283 peak=133 ppm1=0.464 ppm2=1.910
assign ( resid 90 and name HD1#
)
( resid 90 and name HG2#
) 2.2 0.3 0.3 volume=1.994 peak=842 ppm1=0.239 ppm2=0.440
assign ( resid 78 and name HA
)
( resid 78 and name HD1#
) 3.9 0.3 0.3 volume=0.894 peak=327 ppm1=3.844 ppm2=0.103
assign ( resid 46 and name HA
)
( resid 48 and name HN
) 4.1 0.8 0.8 volume=0.212 peak=372 ppm1=4.009 ppm2=7.318
assign ( resid 77 and name HB
)
( resid 79 and name HN
) 4.6 0.7 0.7 volume=0.695 peak=905 ppm1=2.127 ppm2=7.932
assign ( resid 16 and name HA
)
( resid 15 and name HA
) 4.5 0.7 0.7 volume=0.584 peak=1024 ppm1=3.710 ppm2=3.932
assign ( resid 35 and name HA
)
( resid 38 and name HG1#
) 4.4 0.9 0.9 volume=0.437 peak=692 ppm1=3.786 ppm2=0.490
assign ( resid 66 and name HA
)
( resid 69 and name HG1
) 4.0 0.8 0.8 volume=0.267 peak=78 ppm1=4.497 ppm2=0.233
assign ( resid 103 and name HG2#
)
( resid 107 and name HN
) 5.1 0.4 0.4 volume=1.191 peak=855 ppm1=1.003 ppm2=8.482
assign ( resid 54 and name HA
)
( resid 56 and name HB1
) 5.8 0.4 0.3 volume=0.373 peak=503 ppm1=4.096 ppm2=3.296
assign ( resid 11 and name HB1
)
( resid 12 and name HG1#
) 4.7 0.9 0.9 volume=0.292 peak=596 ppm1=3.000 ppm2=0.579
assign ( resid 102 and name HB#
)
( resid 99 and name HG2#
) 4.0 0.8 0.8 volume=2.417 peak=878 ppm1=1.295 ppm2=0.861
assign ( resid 51 and name HB
)
( resid 51 and name HG2#
) 2.7 0.7 0.7 volume=0.397 peak=215 ppm1=1.948 ppm2=0.749
assign ( resid 118 and name HA
)
( resid 119 and name HB2
) 4.4 0.4 0.4 volume=0.532 peak=156 ppm1=4.162 ppm2=1.681
assign ( resid 52 and name HA
)
( resid 52 and name HB1
) 3.0 0.6 0.6 volume=1.495 peak=638 ppm1=4.606 ppm2=2.721
assign ( resid 109 and name HG2#
)
( resid 111 and name HE2
) 5.4 0.4 0.4 volume=0.616 peak=495 ppm1=0.835 ppm2=2.984
assign ( resid 65 and name HB1
)
( resid 62 and name HN
) 4.3 0.7 0.7 volume=0.813 peak=874 ppm1=2.775 ppm2=7.930
assign ( resid 98 and name HG1
)
( resid 50 and name HA
) 5.0 0.4 0.4 volume=1.817 peak=473 ppm1=2.343 ppm2=4.298
assign ( resid 39 and name HA
)
( resid 46 and name HD1
) 5.6 0.4 0.4 volume=0.112 peak=954 ppm1=3.466 ppm2=3.212
assign ( resid 51 and name HD1#
)
( resid 89 and name HB2
) 4.4 0.9 0.9 volume=0.425 peak=996 ppm1=0.605 ppm2=2.465
assign ( resid 80 and name HA
)
( resid 84 and name HB2
) 5.5 0.4 0.4 volume=0.467 peak=487 ppm1=4.412 ppm2=2.911
assign ( resid 59 and name HG2#
)
( resid 59 and name HA
) 2.9 0.8 0.8 volume=0.981 peak=1056 ppm1=0.456 ppm2=3.762
assign ( resid 103 and name HG1#
)
( resid 105 and name HN
) 3.9 0.8 0.8 volume=0.986 peak=747 ppm1=0.767 ppm2=8.613
assign ( resid 67 and name HB2
)
( resid 68 and name HN
) 3.7 0.7 0.7 volume=0.432 peak=994 ppm1=3.280 ppm2=8.835
assign ( resid 86 and name HG2#
)
( resid 87 and name HA
) 4.6 0.9 0.9 volume=0.358 peak=1053 ppm1=-0.521 ppm2=3.222
assign ( resid 114 and name HB1
)
( resid 114 and name HA
) 3.1 0.7 0.7 volume=0.479 peak=736 ppm1=3.822 ppm2=4.390
assign ( resid 69 and name HA
)
( resid 65 and name HA
) 5.6 0.4 0.4 volume=0.224 peak=174 ppm1=3.837 ppm2=4.464
assign ( resid 88 and name HB1
)
( resid 85 and name HA
) 3.0 0.5 0.5 volume=4.477 peak=546 ppm1=1.989 ppm2=4.034
assign ( resid 53 and name HG11
)
( resid 52 and name HA
) 3.9 0.4 0.4 volume=1.200 peak=956 ppm1=1.534 ppm2=4.697
assign ( resid 75 and name HG1#
)
( resid 75 and name HA
) 3.5 0.4 0.4 volume=1.741 peak=385 ppm1=0.898 ppm2=4.314
assign ( resid 73 and name HG2
)
( resid 73 and name HB2
) 2.9 0.6 0.6 volume=1.912 peak=44 ppm1=2.431 ppm2=2.218
assign ( resid 5 and name HG
)
( resid 5 and name HD1#
) 2.7 0.6 0.6 volume=3.368 peak=860 ppm1=0.987 ppm2=0.816
assign ( resid 98 and name HG1
)
( resid 98 and name HA
) 3.1 0.6 0.6 volume=1.240 peak=12 ppm1=2.343 ppm2=3.934
assign ( resid 79 and name HB#
)
( resid 80 and name HB2
) 4.3 0.9 0.9 volume=0.488 peak=489 ppm1=0.920 ppm2=2.944
assign ( resid 103 and name HG2#
)
( resid 103 and name HN
) 3.6 0.9 0.9 volume=0.302 peak=411 ppm1=1.000 ppm2=8.757
assign ( resid 102 and name HA
)
( resid 98 and name HG1
) 4.7 0.8 0.8 volume=0.227 peak=1039 ppm1=3.998 ppm2=2.421
assign ( resid 14 and name HA
)
( resid 18 and name HB#
) 4.6 0.9 0.9 volume=0.340 peak=341 ppm1=3.647 ppm2=1.297
assign ( resid 43 and name HG2
)
( resid 43 and name HA
) 3.9 0.6 0.6 volume=1.331 peak=184 ppm1=2.091 ppm2=4.306
assign ( resid 53 and name HA
)
( resid 53 and name HG12
) 3.4 0.7 0.7 volume=0.739 peak=111 ppm1=4.129 ppm2=1.567
assign ( resid 90 and name HG2#
)
( resid 90 and name HG11
) 3.6 0.7 0.7 volume=1.408 peak=409 ppm1=0.422 ppm2=1.348
assign ( resid 103 and name HA
)
( resid 104 and name HB#
) 5.0 1.0 1.0 volume=0.201 peak=135 ppm1=4.092 ppm2=1.224
assign ( resid 102 and name HA
)
( resid 102 and name HB#
) 2.5 0.7 0.7 volume=1.659 peak=226 ppm1=3.996 ppm2=1.301
assign ( resid 102 and name HB#
)
( resid 99 and name HN
) 4.1 0.8 0.8 volume=0.665 peak=846 ppm1=1.294 ppm2=7.863
assign ( resid 102 and name HB#
)
( resid 103 and name HN
) 3.3 0.4 0.4 volume=0.880 peak=969 ppm1=1.293 ppm2=8.850
assign ( resid 12 and name HA
)
( resid 16 and name HG1
) 4.0 0.8 0.8 volume=0.249 peak=898 ppm1=3.081 ppm2=1.399
assign ( resid 17 and name HG2
)
( resid 20 and name HN
) 5.8 0.4 0.3 volume=1.466 peak=164 ppm1=2.391 ppm2=8.347
assign ( resid 69 and name HG1
)
( resid 68 and name HB1
) 3.9 0.8 0.8 volume=0.313 peak=192 ppm1=0.243 ppm2=2.889
assign ( resid 12 and name HG1#
)
( resid 12 and name HB
) 2.8 0.7 0.7 volume=2.320 peak=629 ppm1=0.604 ppm2=2.031
assign ( resid 78 and name HA
)
( resid 77 and name HG1#
) 3.5 0.4 0.4 volume=0.296 peak=936 ppm1=3.840 ppm2=0.956
assign ( resid 117 and name HB2
)
( resid 117 and name HN
) 2.6 0.3 0.3 volume=0.562 peak=871 ppm1=2.683 ppm2=8.285
assign ( resid 69 and name HB
)
( resid 70 and name HB2
) 4.6 0.9 0.9 volume=0.137 peak=449 ppm1=3.548 ppm2=3.127
assign ( resid 38 and name HB
)
( resid 39 and name HA
) 4.4 0.9 0.9 volume=0.144 peak=425 ppm1=2.245 ppm2=3.498
assign ( resid 74 and name HA
)
( resid 75 and name HG1#
) 4.1 0.4 0.4 volume=0.578 peak=65 ppm1=4.386 ppm2=0.803
assign ( resid 90 and name HA
)
( resid 89 and name HA
) 4.8 0.4 0.4 volume=0.332 peak=309 ppm1=3.428 ppm2=3.891
assign ( resid 3 and name HB2
)
( resid 5 and name HN
) 4.7 0.4 0.4 volume=0.625 peak=1031 ppm1=1.918 ppm2=8.203
assign ( resid 89 and name HA
)
( resid 89 and name HB1
) 3.2 0.6 0.6 volume=0.988 peak=555 ppm1=3.887 ppm2=1.250
assign ( resid 99 and name HG2#
)
( resid 99 and name HA
) 2.5 0.7 0.7 volume=1.758 peak=369 ppm1=0.792 ppm2=3.422
assign ( resid 77 and name HB
)
( resid 77 and name HA
) 3.1 0.6 0.6 volume=1.308 peak=852 ppm1=2.145 ppm2=3.833
assign ( resid 19 and name HA
)
( resid 21 and name HN
) 3.9 0.8 0.8 volume=0.311 peak=981 ppm1=3.755 ppm2=7.891
assign ( resid 86 and name HG2#
)
( resid 86 and name HB
) 2.5 0.5 0.5 volume=1.777 peak=181 ppm1=-0.517 ppm2=1.919
assign ( resid 74 and name HA
)
( resid 73 and name HG1
) 4.9 0.4 0.4 volume=0.627 peak=158 ppm1=4.380 ppm2=2.390
assign ( resid 77 and name HA
)
( resid 78 and name HG11
) 5.1 0.4 0.4 volume=0.233 peak=1057 ppm1=3.813 ppm2=0.504
assign ( resid 74 and name HB1
)
( resid 74 and name HA
) 2.6 0.7 0.7 volume=0.527 peak=930 ppm1=1.959 ppm2=4.449
assign ( resid 117 and name HB2
)
( resid 118 and name HN
) 3.7 0.7 0.7 volume=0.400 peak=725 ppm1=2.681 ppm2=8.083
assign ( resid 77 and name HB
)
( resid 80 and name HB2
) 5.4 0.4 0.4 volume=0.589 peak=574 ppm1=2.133 ppm2=2.721
assign ( resid 86 and name HB
)
( resid 83 and name HN
) 4.5 0.4 0.4 volume=0.168 peak=1016 ppm1=1.919 ppm2=8.496
assign ( resid 21 and name HA
)
( resid 21 and name HB
) 2.6 0.3 0.3 volume=0.677 peak=908 ppm1=4.105 ppm2=4.302
assign ( resid 12 and name HG2#
)
( resid 13 and name HA
) 4.8 0.6 0.6 volume=3.894 peak=537 ppm1=1.133 ppm2=4.175
assign ( resid 21 and name HB
)
( resid 21 and name HN
) 4.0 0.8 0.8 volume=0.277 peak=684 ppm1=4.260 ppm2=7.330
assign ( resid 103 and name HG2#
)
( resid 102 and name HN
) 4.7 0.9 0.9 volume=0.295 peak=758 ppm1=1.014 ppm2=7.818
assign ( resid 101 and name HB#
)
( resid 98 and name HN
) 4.2 0.8 0.8 volume=0.563 peak=548 ppm1=1.397 ppm2=8.375
assign ( resid 77 and name HG1#
)
( resid 77 and name HB
) 2.9 0.8 0.8 volume=0.685 peak=518 ppm1=0.953 ppm2=2.170
assign ( resid 43 and name HA
)
( resid 43 and name HG2
) 3.8 0.6 0.6 volume=2.420 peak=220 ppm1=4.309 ppm2=2.018
assign ( resid 59 and name HG2#
)
( resid 43 and name HB1
) 5.8 0.4 0.4 volume=0.379 peak=547 ppm1=0.450 ppm2=2.181
assign ( resid 74 and name HA
)
( resid 74 and name HN
) 3.5 0.8 0.8 volume=0.211 peak=493 ppm1=4.371 ppm2=7.825
assign ( resid 53 and name HA
)
( resid 53 and name HD1#
) 3.5 0.7 0.7 volume=1.750 peak=252 ppm1=4.134 ppm2=1.008
assign ( resid 12 and name HG1#
)
( resid 12 and name HN
) 3.3 0.9 0.9 volume=0.491 peak=765 ppm1=0.591 ppm2=8.050
assign ( resid 78 and name HA
)
( resid 78 and name HB
) 3.3 0.7 0.7 volume=0.836 peak=263 ppm1=3.842 ppm2=1.459
assign ( resid 116 and name HA
)
( resid 117 and name HA
) 3.6 0.7 0.7 volume=0.473 peak=51 ppm1=4.218 ppm2=4.660
assign ( resid 108 and name HG1
)
( resid 107 and name HA
) 4.6 0.7 0.7 volume=0.458 peak=831 ppm1=2.143 ppm2=4.218
assign ( resid 69 and name HA
)
( resid 72 and name HD1
) 5.0 0.5 0.5 volume=0.026 peak=290 ppm1=3.844 ppm2=3.227
assign ( resid 64 and name HB1
)
( resid 60 and name HA1
) 4.2 0.6 0.6 volume=2.350 peak=597 ppm1=2.148 ppm2=4.082
assign ( resid 72 and name HG1
)
( resid 68 and name HA
) 3.0 0.7 0.7 volume=0.659 peak=297 ppm1=2.006 ppm2=4.276
assign ( resid 78 and name HD1#
)
( resid 78 and name HG11
) 2.2 0.4 0.4 volume=4.002 peak=1051 ppm1=0.101 ppm2=0.581
assign ( resid 19 and name HA
)
( resid 19 and name HN
) 3.4 0.7 0.7 volume=0.734 peak=653 ppm1=3.763 ppm2=8.147
assign ( resid 54 and name HA
)
( resid 54 and name HG1
) 3.1 0.6 0.6 volume=1.295 peak=626 ppm1=4.105 ppm2=1.467
assign ( resid 99 and name HA
)
( resid 98 and name HN
) 4.3 0.9 0.9 volume=0.182 peak=841 ppm1=3.433 ppm2=8.299
assign ( resid 73 and name HG2
)
( resid 73 and name HA
) 3.6 0.7 0.7 volume=0.465 peak=367 ppm1=2.451 ppm2=3.960
assign ( resid 86 and name HG12
)
( resid 83 and name HN
) 2.5 0.4 0.4 volume=0.278 peak=903 ppm1=-0.514 ppm2=8.570
assign ( resid 47 and name HA
)
( resid 48 and name HN
) 3.0 0.6 0.6 volume=1.405 peak=716 ppm1=3.934 ppm2=7.730
assign ( resid 108 and name HB1
)
( resid 108 and name HG1
) 2.7 0.6 0.6 volume=9.791 peak=775 ppm1=1.823 ppm2=2.058
assign ( resid 90 and name HA
)
( resid 90 and name HB
) 3.3 0.8 0.7 volume=0.458 peak=172 ppm1=3.409 ppm2=1.311
assign ( resid 9 and name HA
)
( resid 9 and name HN
) 3.6 0.7 0.7 volume=0.527 peak=130 ppm1=3.949 ppm2=8.033
assign ( resid 31 and name HA
)
( resid 31 and name HN
) 3.4 0.7 0.7 volume=0.280 peak=979 ppm1=3.537 ppm2=7.391
assign ( resid 27 and name HB1
)
( resid 27 and name HG1
) 2.8 0.6 0.6 volume=2.297 peak=352 ppm1=1.657 ppm2=1.363
assign ( resid 14 and name HG2
)
( resid 14 and name HB1
) 3.0 0.8 0.8 volume=0.360 peak=869 ppm1=2.535 ppm2=1.903
assign ( resid 38 and name HG2#
)
( resid 37 and name HB2
) 4.1 0.4 0.5 volume=0.364 peak=949 ppm1=0.653 ppm2=3.338
assign ( resid 6 and name HA
)
( resid 6 and name HN
) 3.0 0.6 0.6 volume=0.325 peak=22 ppm1=4.089 ppm2=8.297
assign ( resid 19 and name HA
)
( resid 24 and name HG1#
) 3.8 0.4 0.4 volume=0.834 peak=755 ppm1=3.756 ppm2=0.849
assign ( resid 102 and name HB#
)
( resid 104 and name HN
) 5.4 0.4 0.4 volume=0.215 peak=796 ppm1=1.301 ppm2=8.327
assign ( resid 101 and name HA
)
( resid 100 and name HN
) 4.3 0.9 0.9 volume=0.160 peak=699 ppm1=4.219 ppm2=7.454
assign ( resid 12 and name HB
)
( resid 11 and name HN
) 4.3 0.7 0.7 volume=0.850 peak=472 ppm1=2.054 ppm2=7.529
assign ( resid 24 and name HN
)
( resid 24 and name HG1#
) 2.9 0.4 0.4 volume=1.585 peak=49 ppm1=7.494 ppm2=0.832
assign ( resid 56 and name HN
)
( resid 59 and name HB
) 4.7 0.8 0.8 volume=0.220 peak=342 ppm1=8.897 ppm2=1.519
assign ( resid 19 and name HN
)
( resid 19 and name HD1#
) 3.9 0.8 0.8 volume=0.850 peak=64 ppm1=8.153 ppm2=0.685
assign ( resid 11 and name HN
)
( resid 12 and name HA
) 4.6 0.7 0.7 volume=0.846 peak=63 ppm1=7.564 ppm2=3.088
assign ( resid 64 and name HN
)
( resid 64 and name HB1
) 2.6 0.5 0.5 volume=3.329 peak=139 ppm1=8.258 ppm2=2.228
assign ( resid 45 and name HN
)
( resid 44 and name HA
) 3.2 0.6 0.6 volume=1.086 peak=22 ppm1=7.241 ppm2=4.297
assign ( resid 58 and name HN
)
( resid 59 and name HN
) 3.4 0.7 0.7 volume=0.707 peak=255 ppm1=7.641 ppm2=7.910
assign ( resid 56 and name HN
)
( resid 56 and name HA
) 3.5 0.7 0.7 volume=0.574 peak=44 ppm1=8.900 ppm2=4.734
assign ( resid 70 and name HN
)
( resid 70 and name HB1
) 2.7 0.3 0.3 volume=0.503 peak=113 ppm1=8.562 ppm2=3.180
assign ( resid 36 and name HN
)
( resid 35 and name HB1
) 2.6 0.5 0.5 volume=3.257 peak=164 ppm1=8.331 ppm2=2.815
assign ( resid 53 and name HN
)
( resid 52 and name HB2
) 4.0 0.3 0.3 volume=1.204 peak=376 ppm1=8.755 ppm2=3.096
assign ( resid 5 and name HN
)
( resid 4 and name HN
) 3.2 0.6 0.6 volume=0.958 peak=365 ppm1=8.212 ppm2=7.439
assign ( resid 118 and name HN
)
( resid 118 and name HA
) 3.2 0.6 0.6 volume=0.951 peak=233 ppm1=8.090 ppm2=4.123
assign ( resid 23 and name HN
)
( resid 22 and name HA
) 3.6 0.7 0.7 volume=0.455 peak=373 ppm1=7.887 ppm2=4.346
assign ( resid 63 and name HN
)
( resid 64 and name HB1
) 4.9 0.4 0.4 volume=0.301 peak=31 ppm1=8.663 ppm2=2.201
assign ( resid 4 and name HN
)
( resid 3 and name HB1
) 3.8 0.4 0.4 volume=1.150 peak=283 ppm1=8.508 ppm2=1.748
assign ( resid 113 and name HN
)
( resid 112 and name HB1
) 2.0 0.4 0.4 volume=0.623 peak=219 ppm1=7.947 ppm2=3.933
assign ( resid 52 and name HN
)
( resid 52 and name HB1
) 4.0 0.8 0.8 volume=0.276 peak=386 ppm1=7.170 ppm2=2.706
assign ( resid 7 and name HN
)
( resid 9 and name HB1
) 4.7 0.7 0.7 volume=0.427 peak=316 ppm1=8.659 ppm2=1.976
assign ( resid 69 and name HN
)
( resid 70 and name HB2
) 4.6 0.7 0.7 volume=0.510 peak=42 ppm1=7.846 ppm2=3.143
assign ( resid 6 and name HN
)
( resid 4 and name HA
) 3.4 0.7 0.7 volume=0.671 peak=253 ppm1=8.255 ppm2=4.686
assign ( resid 94 and name HN
)
( resid 94 and name HB1
) 3.0 0.6 0.6 volume=1.418 peak=250 ppm1=8.390 ppm2=2.169
assign ( resid 6 and name HN
)
( resid 5 and name HB2
) 3.9 0.8 0.8 volume=0.304 peak=131 ppm1=8.256 ppm2=1.474
assign ( resid 98 and name HN
)
( resid 101 and name HB#
) 4.2 0.7 0.7 volume=0.691 peak=364 ppm1=8.381 ppm2=1.374
assign ( resid 30 and name HN
)
( resid 29 and name HB#
) 2.8 0.4 0.4 volume=1.072 peak=216 ppm1=6.875 ppm2=1.189
assign ( resid 79 and name HN
)
( resid 79 and name HB#
) 2.5 0.7 0.7 volume=1.850 peak=347 ppm1=7.959 ppm2=0.947
assign ( resid 101 and name HN
)
( resid 102 and name HN
) 3.4 0.7 0.7 volume=0.682 peak=270 ppm1=7.903 ppm2=7.559
assign ( resid 38 and name HN
)
( resid 39 and name HA
) 4.9 0.6 0.6 volume=1.131 peak=272 ppm1=8.257 ppm2=3.423
assign ( resid 11 and name HN
)
( resid 9 and name HN
) 3.4 0.7 0.7 volume=0.674 peak=27 ppm1=7.565 ppm2=8.048
assign ( resid 114 and name HN
)
( resid 114 and name HA
) 2.9 0.3 0.3 volume=0.532 peak=160 ppm1=7.968 ppm2=4.350
assign ( resid 95 and name HN
)
( resid 95 and name HG1#
) 2.8 0.8 0.8 volume=1.145 peak=248 ppm1=7.929 ppm2=0.464
assign ( resid 80 and name HN
)
( resid 80 and name HA
) 2.8 0.3 0.3 volume=0.515 peak=24 ppm1=7.501 ppm2=4.374
assign ( resid 47 and name HN
)
( resid 45 and name HA
) 3.2 0.6 0.6 volume=1.055 peak=50 ppm1=6.527 ppm2=3.973
assign ( resid 44 and name HN
)
( resid 43 and name HB2
) 3.7 0.7 0.7 volume=0.444 peak=262 ppm1=6.597 ppm2=2.465
assign ( resid 53 and name HN
)
( resid 53 and name HG12
) 3.4 0.7 0.7 volume=0.716 peak=318 ppm1=8.755 ppm2=1.563
assign ( resid 86 and name HN
)
( resid 86 and name HB
) 2.8 0.6 0.6 volume=2.445 peak=234 ppm1=7.888 ppm2=1.947
assign ( resid 86 and name HN
)
( resid 85 and name HA
) 3.5 0.7 0.7 volume=0.626 peak=209 ppm1=7.889 ppm2=4.103
assign ( resid 10 and name HN
)
( resid 9 and name HB1
) 2.5 0.6 0.8 volume=1.075 peak=334 ppm1=8.930 ppm2=1.984
assign ( resid 71 and name HN
)
( resid 70 and name HN
) 2.7 0.6 0.6 volume=1.189 peak=353 ppm1=7.973 ppm2=8.555
assign ( resid 75 and name HN
)
( resid 75 and name HB
) 2.6 0.4 0.4 volume=2.010 peak=75 ppm1=7.406 ppm2=2.242
assign ( resid 37 and name HN
)
( resid 36 and name HA
) 2.9 0.6 0.6 volume=1.814 peak=286 ppm1=7.802 ppm2=4.083
assign ( resid 12 and name HN
)
( resid 10 and name HA
) 4.5 0.5 0.5 volume=0.555 peak=198 ppm1=8.075 ppm2=4.075
assign ( resid 73 and name HN
)
( resid 73 and name HB2
) 2.6 0.5 0.5 volume=3.597 peak=30 ppm1=8.590 ppm2=1.993
assign ( resid 105 and name HN
)
( resid 108 and name HG1
) 4.8 0.4 0.4 volume=1.446 peak=153 ppm1=8.334 ppm2=2.238
assign ( resid 24 and name HN
)
( resid 23 and name HA1
) 3.3 0.4 0.4 volume=1.541 peak=235 ppm1=7.499 ppm2=3.917
assign ( resid 48 and name HN
)
( resid 45 and name HB2
) 4.1 0.9 0.7 volume=0.751 peak=188 ppm1=7.718 ppm2=2.667
assign ( resid 33 and name HN
)
( resid 32 and name HA
) 4.0 0.8 0.8 volume=0.279 peak=183 ppm1=7.154 ppm2=3.637
assign ( resid 36 and name HN
)
( resid 38 and name HN
) 4.4 0.5 0.5 volume=0.761 peak=257 ppm1=8.329 ppm2=8.782
assign ( resid 61 and name HN
)
( resid 61 and name HB2
) 2.9 0.6 0.6 volume=1.914 peak=14 ppm1=8.195 ppm2=2.763
assign ( resid 79 and name HN
)
( resid 78 and name HG2#
) 4.2 0.8 0.8 volume=0.583 peak=301 ppm1=7.953 ppm2=0.691
assign ( resid 23 and name HN
)
( resid 23 and name HA1
) 2.8 0.6 0.6 volume=2.224 peak=241 ppm1=7.888 ppm2=3.845
assign ( resid 52 and name HN
)
( resid 52 and name HA
) 2.9 0.3 0.3 volume=0.679 peak=269 ppm1=7.173 ppm2=4.638
assign ( resid 19 and name HN
)
( resid 19 and name HB1
) 3.0 0.6 0.6 volume=1.368 peak=267 ppm1=8.154 ppm2=1.376
assign ( resid 79 and name HN
)
( resid 79 and name HA
) 3.2 0.6 0.6 volume=0.921 peak=73 ppm1=7.955 ppm2=3.890
assign ( resid 44 and name HN
)
( resid 46 and name HD1
) 4.0 0.4 0.4 volume=1.024 peak=173 ppm1=6.593 ppm2=3.586
assign ( resid 53 and name HN
)
( resid 53 and name HA
) 3.5 0.7 0.7 volume=0.610 peak=147 ppm1=8.755 ppm2=4.143
assign ( resid 38 and name HN
)
( resid 38 and name HA
) 3.4 0.7 0.7 volume=0.713 peak=74 ppm1=8.245 ppm2=3.072
assign ( resid 23 and name HN
)
( resid 22 and name HB1
) 4.0 0.8 0.8 volume=0.267 peak=79 ppm1=7.888 ppm2=1.647
assign ( resid 50 and name HN
)
( resid 50 and name HB
) 3.2 0.6 0.6 volume=0.938 peak=95 ppm1=7.594 ppm2=3.524
assign ( resid 65 and name HN
)
( resid 66 and name HN
) 3.1 0.6 0.6 volume=1.308 peak=366 ppm1=8.342 ppm2=7.793
assign ( resid 9 and name HN
)
( resid 5 and name HD1#
) 4.6 0.9 0.9 volume=0.346 peak=106 ppm1=7.696 ppm2=0.906
assign ( resid 54 and name HN
)
( resid 53 and name HG12
) 4.6 0.7 0.7 volume=0.530 peak=371 ppm1=8.095 ppm2=1.566
assign ( resid 86 and name HN
)
( resid 89 and name HN
) 3.9 0.8 0.8 volume=0.327 peak=346 ppm1=7.888 ppm2=7.370
assign ( resid 52 and name HN
)
( resid 53 and name HD1#
) 5.9 0.3 0.3 volume=0.431 peak=230 ppm1=7.172 ppm2=1.049
assign ( resid 25 and name HN
)
( resid 25 and name HB1
) 2.9 0.4 0.4 volume=0.612 peak=359 ppm1=8.725 ppm2=1.658
assign ( resid 65 and name HN
)
( resid 66 and name HB1
) 4.8 0.4 0.4 volume=1.314 peak=151 ppm1=8.345 ppm2=3.054
assign ( resid 54 and name HN
)
( resid 53 and name HG2#
) 2.8 0.8 0.8 volume=0.921 peak=315 ppm1=8.107 ppm2=1.055
assign ( resid 89 and name HN
)
( resid 89 and name HA
) 3.2 0.6 0.6 volume=1.051 peak=90 ppm1=7.431 ppm2=3.912
assign ( resid 74 and name HN
)
( resid 73 and name HB2
) 4.3 0.4 0.4 volume=0.712 peak=122 ppm1=7.501 ppm2=2.242
assign ( resid 88 and name HN
)
( resid 89 and name HB2
) 3.9 0.6 0.6 volume=0.831 peak=70 ppm1=7.687 ppm2=2.454
assign ( resid 41 and name HN
)
( resid 42 and name HN
) 4.0 1.8 0.8 volume=0.266 peak=162 ppm1=8.798 ppm2=7.120
assign ( resid 54 and name HN
)
( resid 53 and name HN
) 2.6 0.7 0.7 volume=0.533 peak=171 ppm1=8.105 ppm2=8.784
assign ( resid 4 and name HN
)
( resid 3 and name HN
) 3.5 0.7 0.7 volume=0.560 peak=154 ppm1=8.508 ppm2=9.408
assign ( resid 31 and name HN
)
( resid 30 and name HB1
) 2.5 0.4 0.4 volume=0.678 peak=47 ppm1=7.435 ppm2=2.695
assign ( resid 41 and name HN
)
( resid 40 and name HA
) 3.3 0.7 0.7 volume=0.766 peak=108 ppm1=8.791 ppm2=4.501
assign ( resid 44 and name HN
)
( resid 43 and name HG2
) 3.2 0.6 0.6 volume=1.071 peak=174 ppm1=6.592 ppm2=2.083
assign ( resid 55 and name HN
)
( resid 56 and name HB1
) 5.3 0.4 0.4 volume=0.295 peak=326 ppm1=9.199 ppm2=3.225
assign ( resid 53 and name HN
)
( resid 53 and name HB
) 3.1 0.6 0.6 volume=1.246 peak=383 ppm1=8.755 ppm2=1.913
assign ( resid 102 and name HN
)
( resid 98 and name HB1
) 4.8 0.7 0.7 volume=0.537 peak=223 ppm1=7.547 ppm2=2.162
assign ( resid 6 and name HN
)
( resid 3 and name HB1
) 4.9 0.4 0.4 volume=0.737 peak=159 ppm1=8.256 ppm2=1.784
assign ( resid 56 and name HN
)
( resid 55 and name HN
) 3.1 0.6 0.6 volume=1.298 peak=282 ppm1=8.902 ppm2=9.185
assign ( resid 33 and name HN
)
( resid 33 and name HG1
) 3.6 0.7 0.7 volume=0.486 peak=181 ppm1=7.156 ppm2=1.310
assign ( resid 10 and name HN
)
( resid 11 and name HN
) 3.0 0.6 0.6 volume=0.278 peak=252 ppm1=8.928 ppm2=7.534
assign ( resid 45 and name HN
)
( resid 46 and name HG1
) 4.9 0.3 0.4 volume=0.399 peak=140 ppm1=7.241 ppm2=2.093
assign ( resid 69 and name HN
)
( resid 70 and name HN
) 3.3 0.7 0.7 volume=0.798 peak=189 ppm1=7.856 ppm2=8.531
assign ( resid 98 and name HN
)
( resid 100 and name HN
) 4.5 0.6 0.6 volume=1.463 peak=264 ppm1=8.369 ppm2=7.731
assign ( resid 60 and name HN
)
( resid 59 and name HN
) 3.0 0.6 0.6 volume=1.531 peak=302 ppm1=7.630 ppm2=7.911
assign ( resid 23 and name HN
)
( resid 24 and name HN
) 2.6 0.3 0.3 volume=0.803 peak=107 ppm1=7.889 ppm2=7.471
assign ( resid 52 and name HN
)
( resid 53 and name HN
) 4.0 0.8 0.8 volume=0.279 peak=13 ppm1=7.181 ppm2=8.810
assign ( resid 89 and name HN
)
( resid 90 and name HA
) 5.5 0.3 0.3 volume=0.447 peak=129 ppm1=7.433 ppm2=3.432
assign ( resid 99 and name HN
)
( resid 99 and name HG2#
) 3.4 1.4 0.7 volume=2.088 peak=320 ppm1=7.910 ppm2=0.856
assign ( resid 113 and name HN
)
( resid 114 and name HA
) 4.8 0.6 0.6 volume=1.001 peak=69 ppm1=7.952 ppm2=4.285
assign ( resid 25 and name HN
)
( resid 24 and name HG1#
) 3.8 0.4 0.4 volume=0.425 peak=229 ppm1=8.731 ppm2=0.788
assign ( resid 95 and name HN
)
( resid 94 and name HB1
) 3.5 0.3 0.4 volume=1.248 peak=101 ppm1=7.925 ppm2=2.207
assign ( resid 118 and name HN
)
( resid 117 and name HB2
) 3.6 0.7 0.7 volume=0.520 peak=161 ppm1=8.089 ppm2=2.663
assign ( resid 98 and name HN
)
( resid 98 and name HB2
) 3.0 0.6 0.6 volume=1.415 peak=172 ppm1=8.384 ppm2=2.403
assign ( resid 64 and name HN
)
( resid 63 and name HA
) 3.1 0.6 0.6 volume=1.331 peak=214 ppm1=8.260 ppm2=4.256
assign ( resid 13 and name HN
)
( resid 12 and name HB
) 2.9 0.6 0.6 volume=1.754 peak=277 ppm1=8.281 ppm2=2.115
assign ( resid 102 and name HN
)
( resid 103 and name HN
) 2.7 0.7 0.7 volume=0.610 peak=87 ppm1=7.542 ppm2=8.842
assign ( resid 22 and name HN
)
( resid 23 and name HA1
) 4.8 0.4 0.4 volume=0.375 peak=303 ppm1=7.288 ppm2=3.804
assign ( resid 66 and name HN
)
( resid 67 and name HB1
) 4.5 0.6 0.6 volume=1.080 peak=36 ppm1=7.800 ppm2=3.193
assign ( resid 20 and name HN
)
( resid 21 and name HG1
) 3.8 0.4 0.4 volume=1.242 peak=33 ppm1=8.331 ppm2=1.322
assign ( resid 22 and name HN
)
( resid 21 and name HA
) 3.4 0.3 0.3 volume=0.646 peak=126 ppm1=7.287 ppm2=4.163
assign ( resid 47 and name HN
)
( resid 46 and name HG1
) 4.0 0.8 1.0 volume=2.887 peak=361 ppm1=6.529 ppm2=2.104
assign ( resid 67 and name HN
)
( resid 68 and name HN
) 3.3 0.7 0.7 volume=0.890 peak=280 ppm1=9.099 ppm2=8.819
assign ( resid 73 and name HN
)
( resid 72 and name HA
) 2.6 0.7 0.7 volume=0.507 peak=279 ppm1=8.587 ppm2=4.721
assign ( resid 86 and name HN
)
( resid 86 and name HG11
) 3.3 0.7 0.7 volume=0.787 peak=354 ppm1=7.881 ppm2=1.393
assign ( resid 70 and name HN
)
( resid 72 and name HG1
) 4.8 0.6 0.7 volume=1.248 peak=2 ppm1=8.559 ppm2=2.001
assign ( resid 62 and name HN
)
( resid 62 and name HB1
) 3.0 0.6 0.6 volume=1.537 peak=123 ppm1=7.947 ppm2=2.800
assign ( resid 21 and name HN
)
( resid 24 and name HN
) 5.2 0.5 0.5 volume=0.423 peak=104 ppm1=7.899 ppm2=0.970
assign ( resid 74 and name HN
)
( resid 73 and name HN
) 2.3 0.4 0.4 volume=1.262 peak=231 ppm1=7.521 ppm2=8.581
assign ( resid 98 and name HN
)
( resid 99 and name HB
) 4.3 0.6 0.6 volume=1.326 peak=273 ppm1=8.387 ppm2=2.107
assign ( resid 115 and name HN
)
( resid 114 and name HA
) 2.7 0.4 0.4 volume=1.595 peak=45 ppm1=8.212 ppm2=4.368
assign ( resid 83 and name HN
)
( resid 86 and name HN
) 3.7 0.4 0.4 volume=0.946 peak=254 ppm1=8.556 ppm2=7.905
assign ( resid 89 and name HN
)
( resid 87 and name HB1
) 4.5 0.6 0.6 volume=2.380 peak=148 ppm1=7.431 ppm2=1.747
assign ( resid 83 and name HN
)
( resid 84 and name HA
) 5.2 0.7 0.7 volume=0.658 peak=199 ppm1=8.551 ppm2=4.305
assign ( resid 11 and name HN
)
( resid 10 and name HN
) 3.0 0.6 0.6 volume=0.421 peak=350 ppm1=7.569 ppm2=8.930
assign ( resid 74 and name HN
)
( resid 74 and name HA
) 2.9 0.6 0.6 volume=1.656 peak=335 ppm1=7.499 ppm2=4.452
assign ( resid 68 and name HN
)
( resid 68 and name HA
) 3.2 0.6 0.6 volume=1.027 peak=374 ppm1=8.865 ppm2=4.352
assign ( resid 44 and name HN
)
( resid 45 and name HN
) 2.1 0.3 0.3 volume=0.733 peak=67 ppm1=6.592 ppm2=7.247
assign ( resid 30 and name HN
)
( resid 29 and name HA
) 3.5 0.4 0.4 volume=0.468 peak=91 ppm1=6.877 ppm2=3.687
assign ( resid 30 and name HN
)
( resid 31 and name HN
) 3.1 0.6 0.6 volume=1.272 peak=94 ppm1=6.873 ppm2=7.432
assign ( resid 98 and name HN
)
( resid 99 and name HN
) 3.1 0.6 0.6 volume=1.102 peak=16 ppm1=8.387 ppm2=7.854
assign ( resid 75 and name HN
)
( resid 74 and name HD1
) 5.0 0.4 0.4 volume=1.359 peak=288 ppm1=7.415 ppm2=1.567
assign ( resid 103 and name HN
)
( resid 105 and name HN
) 3.4 0.7 0.7 volume=0.641 peak=66 ppm1=8.841 ppm2=8.508
assign ( resid 101 and name HN
)
( resid 101 and name HA
) 2.8 0.6 0.6 volume=2.019 peak=190 ppm1=7.899 ppm2=4.204
assign ( resid 71 and name HN
)
( resid 70 and name HA
) 3.7 0.7 0.7 volume=0.412 peak=96 ppm1=7.970 ppm2=4.640
assign ( resid 116 and name HN
)
( resid 115 and name HA
) 3.0 0.6 0.6 volume=1.615 peak=296 ppm1=8.065 ppm2=4.284
assign ( resid 79 and name HN
)
( resid 80 and name HN
) 3.4 0.7 0.7 volume=0.689 peak=382 ppm1=7.958 ppm2=7.485
assign ( resid 42 and name HN
)
( resid 43 and name HG1
) 5.3 0.4 0.4 volume=0.785 peak=202 ppm1=7.192 ppm2=2.072
assign ( resid 12 and name HN
)
( resid 12 and name HG2#
) 3.2 0.7 0.7 volume=1.223 peak=143 ppm1=8.066 ppm2=1.118
assign ( resid 60 and name HN
)
( resid 59 and name HB
) 3.3 0.7 0.7 volume=0.774 peak=97 ppm1=7.628 ppm2=1.533
assign ( resid 99 and name HN
)
( resid 97 and name HB2
) 2.8 0.4 0.4 volume=0.336 peak=381 ppm1=7.904 ppm2=1.787
assign ( resid 37 and name HN
)
( resid 36 and name HN
) 3.0 0.4 0.4 volume=0.742 peak=271 ppm1=7.799 ppm2=8.343
assign ( resid 17 and name HN
)
( resid 16 and name HB1
) 2.9 0.6 0.6 volume=1.668 peak=379 ppm1=7.844 ppm2=1.717
assign ( resid 67 and name HN
)
( resid 67 and name HB2
) 3.0 0.6 0.6 volume=1.619 peak=32 ppm1=9.103 ppm2=3.356
assign ( resid 3 and name HN
)
( resid 4 and name HN
) 3.0 0.6 0.6 volume=0.402 peak=325 ppm1=9.410 ppm2=8.503
assign ( resid 55 and name HN
)
( resid 55 and name HB1
) 3.0 0.6 0.6 volume=1.380 peak=294 ppm1=9.210 ppm2=2.039
assign ( resid 103 and name HN
)
( resid 100 and name HN
) 4.9 0.4 0.4 volume=0.572 peak=330 ppm1=8.840 ppm2=7.527
assign ( resid 68 and name HN
)
( resid 69 and name HN
) 3.3 0.7 0.7 volume=0.788 peak=265 ppm1=8.866 ppm2=7.839
assign ( resid 22 and name HN
)
( resid 22 and name HB2
) 2.6 0.4 0.4 volume=0.665 peak=392 ppm1=7.290 ppm2=2.044
assign ( resid 50 and name HN
)
( resid 48 and name HB1
) 4.6 0.4 0.4 volume=0.420 peak=309 ppm1=7.594 ppm2=2.150
assign ( resid 24 and name HN
)
( resid 24 and name HB
) 2.3 0.4 0.4 volume=2.895 peak=321 ppm1=7.498 ppm2=1.965
assign ( resid 49 and name HN
)
( resid 48 and name HN
) 2.7 0.5 0.5 volume=0.899 peak=377 ppm1=7.723 ppm2=7.310
assign ( resid 20 and name HN
)
( resid 19 and name HA
) 3.2 0.6 0.6 volume=0.985 peak=344 ppm1=8.331 ppm2=3.735
assign ( resid 65 and name HN
)
( resid 64 and name HA
) 3.5 0.7 0.7 volume=0.597 peak=232 ppm1=8.344 ppm2=4.250
assign ( resid 27 and name HN
)
( resid 26 and name HG1#
) 3.5 0.4 0.4 volume=0.722 peak=276 ppm1=8.571 ppm2=0.696
assign ( resid 88 and name HN
)
( resid 89 and name HA
) 5.2 0.4 0.4 volume=0.962 peak=363 ppm1=7.693 ppm2=3.951
assign ( resid 89 and name HN
)
( resid 89 and name HB1
) 3.5 0.7 0.7 volume=0.590 peak=78 ppm1=7.430 ppm2=1.211
assign ( resid 53 and name HN
)
( resid 54 and name HN
) 2.9 0.8 0.8 volume=0.305 peak=7 ppm1=8.754 ppm2=8.128
assign ( resid 77 and name HN
)
( resid 76 and name HG1
) 5.4 0.4 0.4 volume=0.543 peak=168 ppm1=8.476 ppm2=1.731
assign ( resid 103 and name HN
)
( resid 102 and name HA
) 3.8 0.8 0.8 volume=0.348 peak=204 ppm1=8.850 ppm2=3.965
assign ( resid 22 and name HN
)
( resid 22 and name HB1
) 3.6 0.3 0.3 volume=1.556 peak=240 ppm1=7.289 ppm2=1.649
assign ( resid 68 and name HN
)
( resid 66 and name HB1
) 4.5 0.6 0.6 volume=0.922 peak=313 ppm1=8.865 ppm2=3.374
assign ( resid 33 and name HN
)
( resid 32 and name HB1
) 3.1 0.6 0.6 volume=1.142 peak=39 ppm1=7.153 ppm2=1.657
assign ( resid 49 and name HN
)
( resid 48 and name HA
) 3.5 0.5 0.5 volume=0.734 peak=132 ppm1=7.303 ppm2=4.054
assign ( resid 56 and name HN
)
( resid 59 and name HG2#
) 5.0 1.0 1.0 volume=0.211 peak=287 ppm1=8.901 ppm2=0.447
assign ( resid 101 and name HN
)
( resid 101 and name HB#
) 2.7 0.6 0.6 volume=3.259 peak=393 ppm1=7.900 ppm2=1.401
assign ( resid 65 and name HN
)
( resid 63 and name HN
) 4.6 0.5 0.5 volume=0.506 peak=201 ppm1=8.343 ppm2=8.663
assign ( resid 57 and name HN
)
( resid 56 and name HB1
) 3.3 0.7 0.7 volume=0.797 peak=242 ppm1=9.220 ppm2=3.309
assign ( resid 68 and name HN
)
( resid 67 and name HB1
) 3.1 0.6 0.6 volume=1.334 peak=256 ppm1=8.862 ppm2=3.101
assign ( resid 117 and name HN
)
( resid 116 and name HA
) 2.9 0.6 0.6 volume=1.743 peak=176 ppm1=8.288 ppm2=4.199
assign ( resid 103 and name HN
)
( resid 103 and name HG1#
) 3.6 0.7 0.7 volume=1.544 peak=88 ppm1=8.841 ppm2=0.850
assign ( resid 122 and name HN
)
( resid 122 and name HA
) 3.0 0.4 0.4 volume=0.952 peak=112 ppm1=8.491 ppm2=4.189
assign ( resid 45 and name HN
)
( resid 44 and name HN
) 2.0 0.3 0.4 volume=0.758 peak=56 ppm1=7.243 ppm2=6.570
assign ( resid 57 and name HN
)
( resid 55 and name HB2
) 4.8 0.7 0.7 volume=0.791 peak=111 ppm1=9.219 ppm2=1.951
assign ( resid 3 and name HN
)
( resid 3 and name HA
) 2.8 0.4 0.4 volume=0.884 peak=135 ppm1=9.405 ppm2=3.876
assign ( resid 99 and name HN
)
( resid 99 and name HB
) 2.8 0.6 0.6 volume=2.217 peak=331 ppm1=7.901 ppm2=2.153
assign ( resid 67 and name HN
)
( resid 67 and name HB1
) 3.0 0.6 0.6 volume=0.376 peak=196 ppm1=9.101 ppm2=2.999
assign ( resid 29 and name HN
)
( resid 30 and name HB1
) 4.2 0.4 0.4 volume=0.888 peak=215 ppm1=8.327 ppm2=2.646
assign ( resid 61 and name HN
)
( resid 62 and name HN
) 3.4 0.7 0.7 volume=0.759 peak=323 ppm1=8.196 ppm2=7.943
assign ( resid 12 and name HN
)
( resid 12 and name HG1#
) 3.4 0.9 0.9 volume=0.470 peak=311 ppm1=8.075 ppm2=0.573
assign ( resid 19 and name HN
)
( resid 19 and name HA
) 3.1 0.6 0.6 volume=1.231 peak=295 ppm1=8.154 ppm2=3.752
assign ( resid 99 and name HN
)
( resid 98 and name HN
) 2.9 0.6 0.6 volume=1.682 peak=290 ppm1=7.910 ppm2=8.316
assign ( resid 54 and name HN
)
( resid 53 and name HB
) 2.8 0.6 0.6 volume=2.422 peak=4 ppm1=8.107 ppm2=1.946
assign ( resid 89 and name HN
)
( resid 88 and name HN
) 2.8 0.6 0.6 volume=0.723 peak=222 ppm1=7.431 ppm2=7.718
assign ( resid 22 and name HN
)
( resid 21 and name HN
) 2.5 0.4 0.4 volume=1.494 peak=317 ppm1=7.291 ppm2=7.882
assign ( resid 50 and name HN
)
( resid 49 and name HA1
) 3.3 0.5 0.5 volume=0.559 peak=17 ppm1=7.593 ppm2=3.166
assign ( resid 75 and name HN
)
( resid 73 and name HN
) 4.2 0.4 0.4 volume=0.391 peak=336 ppm1=7.414 ppm2=8.583
assign ( resid 102 and name HN
)
( resid 101 and name HN
) 3.2 0.6 0.6 volume=1.038 peak=41 ppm1=7.545 ppm2=7.872
assign ( resid 57 and name HN
)
( resid 56 and name HN
) 2.9 0.4 0.4 volume=0.533 peak=19 ppm1=9.206 ppm2=8.905
assign ( resid 58 and name HN
)
( resid 55 and name HA
) 3.1 0.6 0.6 volume=1.211 peak=278 ppm1=7.644 ppm2=4.278
assign ( resid 22 and name HN
)
( resid 21 and name HB
) 4.0 0.4 0.4 volume=0.724 peak=166 ppm1=7.290 ppm2=4.288
assign ( resid 53 and name HN
)
( resid 53 and name HG2#
) 3.8 0.8 0.8 volume=1.078 peak=141 ppm1=8.755 ppm2=1.022
assign ( resid 119 and name HN
)
( resid 118 and name HA
) 3.5 0.4 0.4 volume=2.126 peak=115 ppm1=8.149 ppm2=4.133
assign ( resid 32 and name HN
)
( resid 32 and name HB1
) 3.3 0.7 0.7 volume=0.803 peak=163 ppm1=8.726 ppm2=1.696
assign ( resid 32 and name HN
)
( resid 29 and name HA
) 3.5 0.7 0.7 volume=0.572 peak=72 ppm1=8.725 ppm2=3.748
assign ( resid 48 and name HN
)
( resid 48 and name HA
) 3.2 0.6 0.6 volume=1.077 peak=12 ppm1=7.724 ppm2=4.039
assign ( resid 114 and name HN
)
( resid 113 and name HA
) 3.5 0.4 0.4 volume=4.135 peak=61 ppm1=7.970 ppm2=4.702
assign ( resid 6 and name HN
)
( resid 6 and name HA
) 2.8 0.6 0.6 volume=2.087 peak=211 ppm1=8.256 ppm2=4.085
assign ( resid 60 and name HN
)
( resid 59 and name HG1#
) 4.0 1.0 1.0 volume=0.215 peak=53 ppm1=7.633 ppm2=-0.383
assign ( resid 56 and name HN
)
( resid 54 and name HA
) 5.4 0.4 0.4 volume=0.514 peak=125 ppm1=8.903 ppm2=4.134
assign ( resid 44 and name HN
)
( resid 46 and name HD1
) 4.5 0.6 0.6 volume=1.071 peak=337 ppm1=6.593 ppm2=3.210
assign ( resid 119 and name HN
)
( resid 119 and name HG1
) 2.7 0.4 0.4 volume=0.767 peak=212 ppm1=8.145 ppm2=2.085
assign ( resid 13 and name HN
)
( resid 15 and name HD2#
) 4.7 0.6 0.6 volume=0.744 peak=133 ppm1=8.280 ppm2=0.805
assign ( resid 86 and name HN
)
( resid 86 and name HA
) 3.5 0.7 0.7 volume=0.600 peak=299 ppm1=7.888 ppm2=3.467
assign ( resid 75 and name HN
)
( resid 74 and name HA
) 3.0 0.4 0.4 volume=1.035 peak=86 ppm1=7.405 ppm2=4.455
assign ( resid 77 and name HN
)
( resid 77 and name HG2#
) 3.4 0.7 0.7 volume=1.913 peak=348 ppm1=8.477 ppm2=1.052
assign ( resid 53 and name HN
)
( resid 52 and name HA
) 2.2 0.3 0.4 volume=1.389 peak=167 ppm1=8.755 ppm2=4.629
assign ( resid 62 and name HN
)
( resid 62 and name HB2
) 3.2 0.6 0.6 volume=1.005 peak=105 ppm1=7.947 ppm2=3.154
assign ( resid 17 and name HN
)
( resid 17 and name HG2
) 3.1 0.6 0.6 volume=1.103 peak=60 ppm1=7.847 ppm2=2.394
assign ( resid 6 and name HN
)
( resid 5 and name HD1#
) 4.4 0.9 0.9 volume=0.466 peak=191 ppm1=8.257 ppm2=0.799
assign ( resid 80 and name HN
)
( resid 79 and name HB#
) 2.3 0.3 0.4 volume=0.722 peak=28 ppm1=7.494 ppm2=0.943
assign ( resid 99 and name HN
)
( resid 97 and name HA
) 4.7 0.4 0.4 volume=0.343 peak=149 ppm1=7.905 ppm2=4.284
assign ( resid 77 and name HN
)
( resid 77 and name HB
) 2.2 0.6 0.6 volume=1.329 peak=165 ppm1=8.477 ppm2=2.160
assign ( resid 56 and name HN
)
( resid 56 and name HB1
) 2.9 0.6 0.6 volume=1.993 peak=195 ppm1=8.902 ppm2=3.308
assign ( resid 113 and name HN
)
( resid 113 and name HA
) 2.7 0.5 0.5 volume=2.692 peak=297 ppm1=7.948 ppm2=4.676
assign ( resid 53 and name HN
)
( resid 52 and name HB1
) 3.3 0.7 0.7 volume=0.766 peak=360 ppm1=8.754 ppm2=2.711
assign ( resid 83 and name HB1
)
( resid 84 and name HB2
) 4.0 0.6 0.6 volume=1.005 peak=197 ppm1=8.553 ppm2=3.170
assign ( resid 4 and name HN
)
( resid 4 and name HA
) 3.2 0.6 0.6 volume=1.035 peak=100 ppm1=8.509 ppm2=4.695
assign ( resid 80 and name HN
)
( resid 79 and name HA
) 3.4 0.7 0.7 volume=0.684 peak=395 ppm1=7.497 ppm2=3.877
assign ( resid 103 and name HN
)
( resid 100 and name HB1
) 5.4 0.4 0.4 volume=0.363 peak=62 ppm1=8.829 ppm2=1.443
assign ( resid 90 and name HN
)
( resid 90 and name HG12
) 4.3 0.7 0.7 volume=0.895 peak=84 ppm1=7.723 ppm2=1.476
assign ( resid 13 and name HN
)
( resid 11 and name HN
) 4.1 0.6 0.6 volume=1.318 peak=246 ppm1=8.281 ppm2=7.898
assign ( resid 5 and name HN
)
( resid 3 and name HB2
) 4.7 0.4 0.4 volume=1.355 peak=362 ppm1=8.212 ppm2=1.899
assign ( resid 23 and name HN
)
( resid 24 and name HB
) 4.7 0.3 0.3 volume=0.326 peak=237 ppm1=7.888 ppm2=1.985
assign ( resid 9 and name HN
)
( resid 9 and name HB2
) 2.8 0.6 0.6 volume=2.010 peak=58 ppm1=7.696 ppm2=2.111
assign ( resid 70 and name HN
)
( resid 69 and name HB
) 3.3 0.7 0.7 volume=0.787 peak=358 ppm1=8.565 ppm2=3.543
assign ( resid 33 and name HN
)
( resid 35 and name HB1
) 5.5 0.4 0.4 volume=0.172 peak=380 ppm1=7.156 ppm2=2.920
assign ( resid 32 and name HN
)
( resid 34 and name HN
) 3.6 0.7 0.7 volume=0.508 peak=343 ppm1=8.729 ppm2=7.704
assign ( resid 119 and name HN
)
( resid 118 and name HG
) 4.4 0.4 0.4 volume=0.854 peak=275 ppm1=8.145 ppm2=1.526
assign ( resid 75 and name HN
)
( resid 75 and name HG2#
) 3.8 0.3 0.3 volume=0.720 peak=220 ppm1=7.404 ppm2=1.093
assign ( resid 70 and name HN
)
( resid 71 and name HN
) 3.0 0.6 0.6 volume=1.386 peak=261 ppm1=8.565 ppm2=7.931
assign ( resid 31 and name HN
)
( resid 29 and name HN
) 4.2 0.7 0.7 volume=0.517 peak=134 ppm1=8.328 ppm2=7.452
assign ( resid 102 and name HN
)
( resid 99 and name HA
) 3.7 0.7 0.7 volume=0.437 peak=236 ppm1=7.546 ppm2=3.431
assign ( resid 56 and name HN
)
( resid 57 and name HB1
) 4.4 0.7 0.7 volume=0.694 peak=179 ppm1=8.902 ppm2=2.164
assign ( resid 33 and name HN
)
( resid 33 and name HA
) 3.1 0.6 0.6 volume=1.152 peak=152 ppm1=7.150 ppm2=4.233
assign ( resid 12 and name HN
)
( resid 12 and name HA
) 3.2 0.6 0.6 volume=0.943 peak=51 ppm1=8.068 ppm2=3.095
assign ( resid 90 and name HN
)
( resid 89 and name HA
) 3.3 0.7 0.7 volume=0.836 peak=341 ppm1=7.723 ppm2=3.831
assign ( resid 38 and name HN
)
( resid 38 and name HG2#
) 2.5 0.7 0.7 volume=1.370 peak=372 ppm1=8.251 ppm2=0.633
assign ( resid 92 and name HN
)
( resid 91 and name HB1
) 3.5 0.7 0.7 volume=0.408 peak=357 ppm1=7.815 ppm2=1.835
assign ( resid 41 and name HN
)
( resid 38 and name HA
) 3.8 0.8 0.8 volume=0.947 peak=52 ppm1=8.788 ppm2=2.949
assign ( resid 60 and name HN
)
( resid 61 and name HN
) 2.7 0.7 0.7 volume=0.404 peak=375 ppm1=7.636 ppm2=8.244
assign ( resid 9 and name HN
)
( resid 9 and name HB1
) 2.9 0.6 0.6 volume=1.688 peak=185 ppm1=7.696 ppm2=1.978
assign ( resid 73 and name HN
)
( resid 73 and name HB2
) 3.3 0.7 0.7 volume=0.838 peak=155 ppm1=8.590 ppm2=2.232
assign ( resid 14 and name HN
)
( resid 13 and name HA
) 3.4 0.7 0.7 volume=0.716 peak=5 ppm1=7.664 ppm2=4.138
assign ( resid 95 and name HN
)
( resid 93 and name HG2
) 4.7 0.7 0.7 volume=0.479 peak=238 ppm1=7.932 ppm2=1.834
assign ( resid 54 and name HN
)
( resid 54 and name HA
) 3.2 0.6 0.6 volume=1.071 peak=80 ppm1=8.107 ppm2=4.109
assign ( resid 22 and name HN
)
( resid 21 and name HG1
) 2.6 0.4 0.4 volume=0.458 peak=10 ppm1=7.299 ppm2=1.332
assign ( resid 3 and name HN
)
( resid 4 and name HA
) 5.4 0.3 0.3 volume=0.259 peak=385 ppm1=9.400 ppm2=4.605
assign ( resid 21 and name HN
)
( resid 22 and name HA
) 4.5 0.7 0.7 volume=0.542 peak=338 ppm1=7.899 ppm2=4.435
assign ( resid 64 and name HN
)
( resid 65 and name HB1
) 5.0 0.3 0.3 volume=0.737 peak=391 ppm1=8.258 ppm2=2.746
assign ( resid 94 and name HN
)
( resid 94 and name HA
) 3.1 0.6 0.6 volume=1.196 peak=243 ppm1=8.389 ppm2=4.084
assign ( resid 101 and name HN
)
( resid 99 and name HB
) 4.5 0.6 0.6 volume=1.327 peak=293 ppm1=7.902 ppm2=2.071
assign ( resid 52 and name HN
)
( resid 51 and name HD1#
) 3.9 0.8 0.8 volume=0.914 peak=119 ppm1=7.170 ppm2=0.610
assign ( resid 86 and name HN
)
( resid 86 and name HD1#
) 2.8 0.3 0.3 volume=1.012 peak=43 ppm1=7.889 ppm2=0.763
assign ( resid 36 and name HN
)
( resid 37 and name HA
) 5.0 0.4 0.4 volume=0.805 peak=26 ppm1=8.330 ppm2=4.266
assign ( resid 77 and name HN
)
( resid 77 and name HA
) 3.3 0.7 0.7 volume=0.763 peak=281 ppm1=8.477 ppm2=3.827
assign ( resid 73 and name HN
)
( resid 74 and name HN
) 2.3 0.3 0.3 volume=1.527 peak=109 ppm1=8.590 ppm2=7.507
assign ( resid 12 and name HN
)
( resid 11 and name HN
) 3.2 0.6 0.6 volume=1.016 peak=59 ppm1=8.072 ppm2=7.536
assign ( resid 58 and name HN
)
( resid 57 and name HN
) 2.6 0.4 0.4 volume=0.687 peak=11 ppm1=7.644 ppm2=9.225
assign ( resid 33 and name HN
)
( resid 33 and name HB2
) 2.9 0.6 0.6 volume=1.975 peak=25 ppm1=7.153 ppm2=1.930
assign ( resid 23 and name HN
)
( resid 24 and name HG1#
) 3.9 0.4 0.4 volume=0.303 peak=319 ppm1=7.888 ppm2=0.814
assign ( resid 9 and name HN
)
( resid 6 and name HB2
) 5.3 0.4 0.4 volume=1.145 peak=259 ppm1=7.695 ppm2=3.876
assign ( resid 37 and name HN
)
( resid 38 and name HA
) 5.5 0.4 0.3 volume=0.747 peak=178 ppm1=7.801 ppm2=3.011
assign ( resid 27 and name HN
)
( resid 26 and name HA
) 2.8 0.6 0.6 volume=2.314 peak=92 ppm1=8.571 ppm2=4.077
assign ( resid 117 and name HN
)
( resid 116 and name HG1
) 4.1 0.8 0.8 volume=0.237 peak=142 ppm1=8.295 ppm2=1.126
assign ( resid 55 and name HN
)
( resid 54 and name HN
) 3.5 0.7 0.7 volume=0.577 peak=225 ppm1=9.211 ppm2=8.114
assign ( resid 30 and name HN
)
( resid 30 and name HA
) 3.2 0.6 0.6 volume=0.972 peak=328 ppm1=6.875 ppm2=4.337
assign ( resid 4 and name HN
)
( resid 5 and name HN
) 3.3 0.7 0.7 volume=0.833 peak=245 ppm1=8.515 ppm2=8.141
assign ( resid 41 and name HN
)
( resid 41 and name HG12
) 3.5 1.5 0.8 volume=0.239 peak=130 ppm1=8.799 ppm2=1.085
assign ( resid 62 and name HN
)
( resid 64 and name HN
) 4.0 0.3 0.3 volume=0.937 peak=114 ppm1=7.947 ppm2=8.231
assign ( resid 105 and name HN
)
( resid 108 and name HN
) 5.5 0.4 0.4 volume=0.243 peak=124 ppm1=8.325 ppm2=7.507
assign ( resid 45 and name HN
)
( resid 46 and name HA
) 4.5 0.7 0.7 volume=0.573 peak=150 ppm1=7.239 ppm2=4.072
assign ( resid 61 and name HN
)
( resid 64 and name HB1
) 3.9 0.7 0.7 volume=0.624 peak=157 ppm1=8.196 ppm2=2.220
assign ( resid 20 and name HN
)
( resid 21 and name HN
) 3.4 0.7 0.7 volume=0.711 peak=187 ppm1=8.328 ppm2=7.828
assign ( resid 73 and name HN
)
( resid 72 and name HD2
) 4.7 0.8 0.8 volume=0.304 peak=206 ppm1=8.592 ppm2=3.302
assign ( resid 38 and name HN
)
( resid 37 and name HN
) 3.5 0.7 0.7 volume=0.583 peak=314 ppm1=8.252 ppm2=7.787
assign ( resid 27 and name HN
)
( resid 26 and name HB
) 4.5 0.6 0.6 volume=1.155 peak=310 ppm1=8.570 ppm2=1.768
assign ( resid 66 and name HN
)
( resid 69 and name HB
) 4.8 0.7 0.7 volume=0.850 peak=68 ppm1=7.800 ppm2=3.519
assign ( resid 45 and name HN
)
( resid 45 and name HB1
) 3.2 0.6 0.6 volume=1.022 peak=274 ppm1=7.241 ppm2=2.520
assign ( resid 44 and name HN
)
( resid 43 and name HA
) 3.2 0.6 0.6 volume=1.077 peak=200 ppm1=6.593 ppm2=4.341
assign ( resid 77 and name HN
)
( resid 76 and name HA
) 2.7 0.5 0.5 volume=2.931 peak=329 ppm1=8.476 ppm2=4.610
assign ( resid 68 and name HN
)
( resid 67 and name HN
) 2.7 0.3 0.3 volume=0.497 peak=300 ppm1=8.858 ppm2=9.114
assign ( resid 30 and name HN
)
( resid 31 and name HB2
) 4.5 0.7 0.7 volume=0.834 peak=387 ppm1=6.874 ppm2=1.799
assign ( resid 17 and name HN
)
( resid 18 and name HB#
) 3.7 0.7 0.7 volume=1.176 peak=76 ppm1=7.855 ppm2=1.325
assign ( resid 62 and name HN
)
( resid 63 and name HA
) 4.9 0.6 0.6 volume=1.135 peak=356 ppm1=7.949 ppm2=4.284
assign ( resid 99 and name HN
)
( resid 99 and name HA
) 3.5 0.7 0.7 volume=0.575 peak=20 ppm1=7.910 ppm2=3.421
assign ( resid 49 and name HN
)
( resid 49 and name HA2
) 2.3 0.5 0.5 volume=1.088 peak=136 ppm1=7.302 ppm2=3.535
assign ( resid 17 and name HN
)
( resid 17 and name HA
) 3.0 0.6 0.6 volume=1.616 peak=221 ppm1=7.852 ppm2=3.931
assign ( resid 30 and name HN
)
( resid 30 and name HB1
) 2.8 0.6 0.6 volume=2.274 peak=192 ppm1=6.875 ppm2=2.679
assign ( resid 113 and name HN
)
( resid 113 and name HB1
) 3.1 0.6 0.6 volume=1.243 peak=268 ppm1=7.945 ppm2=2.732
assign ( resid 75 and name HN
)
( resid 76 and name HD1
) 4.1 0.4 0.4 volume=0.727 peak=370 ppm1=7.410 ppm2=3.411
assign ( resid 52 and name HN
)
( resid 51 and name HA
) 2.7 0.5 0.5 volume=2.567 peak=213 ppm1=7.175 ppm2=4.123
assign ( resid 75 and name HN
)
( resid 74 and name HB2
) 3.9 0.4 0.4 volume=1.523 peak=117 ppm1=7.406 ppm2=2.002
assign ( resid 100 and name HN
)
( resid 100 and name HA
) 2.8 0.4 0.4 volume=0.687 peak=55 ppm1=7.629 ppm2=3.876
assign ( resid 38 and name HN
)
( resid 38 and name HB
) 3.1 0.6 0.6 volume=1.166 peak=210 ppm1=8.225 ppm2=2.184
assign ( resid 112 and name HN
)
( resid 113 and name HA
) 5.4 0.4 0.4 volume=0.909 peak=368 ppm1=8.196 ppm2=4.701
assign ( resid 48 and name HN
)
( resid 48 and name HB1
) 2.7 0.5 0.5 volume=2.819 peak=349 ppm1=7.722 ppm2=2.124
assign ( resid 118 and name HN
)
( resid 117 and name HA
) 3.3 0.5 0.5 volume=2.527 peak=333 ppm1=8.088 ppm2=4.632
assign ( resid 102 and name HN
)
( resid 103 and name HG2#
) 4.6 0.9 0.9 volume=0.446 peak=158 ppm1=7.546 ppm2=0.824
assign ( resid 61 and name HN
)
( resid 62 and name HA
) 4.9 0.6 0.6 volume=1.692 peak=226 ppm1=8.196 ppm2=4.255
assign ( resid 80 and name HN
)
( resid 79 and name HN
) 3.3 0.7 0.7 volume=0.805 peak=116 ppm1=7.497 ppm2=7.964
assign ( resid 88 and name HN
)
( resid 89 and name HN
) 3.0 0.7 0.7 volume=0.578 peak=249 ppm1=7.686 ppm2=7.413
assign ( resid 34 and name HN
)
( resid 36 and name HN
) 4.7 0.8 0.8 volume=0.298 peak=46 ppm1=7.630 ppm2=8.354
assign ( resid 71 and name HN
)
( resid 69 and name HB
) 5.3 0.4 0.4 volume=1.431 peak=170 ppm1=7.971 ppm2=3.461
assign ( resid 102 and name HN
)
( resid 102 and name HB#
) 3.3 1.2 0.7 volume=2.532 peak=83 ppm1=7.545 ppm2=1.327
assign ( resid 99 and name HN
)
( resid 102 and name HB#
) 4.6 0.9 0.9 volume=0.327 peak=228 ppm1=7.913 ppm2=1.284
assign ( resid 70 and name HN
)
( resid 70 and name HA
) 3.4 0.7 0.7 volume=0.730 peak=182 ppm1=8.568 ppm2=4.622
assign ( resid 68 and name HN
)
( resid 68 and name HB1
) 3.2 0.6 0.6 volume=0.924 peak=118 ppm1=8.864 ppm2=2.859
assign ( resid 63 and name HN
)
( resid 64 and name HN
) 3.4 0.7 0.7 volume=0.724 peak=258 ppm1=8.654 ppm2=8.288
assign ( resid 60 and name HN
)
( resid 61 and name HB1
) 4.5 0.6 0.6 volume=1.196 peak=169 ppm1=7.633 ppm2=2.594
assign ( resid 12 and name HN
)
( resid 12 and name HB
) 2.9 0.6 0.6 volume=1.649 peak=345 ppm1=8.071 ppm2=2.055
assign ( resid 102 and name HN
)
( resid 102 and name HA
) 3.3 0.7 0.7 volume=0.825 peak=144 ppm1=7.546 ppm2=3.996
assign ( resid 19 and name HN
)
( resid 17 and name HN
) 4.4 0.4 0.4 volume=0.675 peak=145 ppm1=8.160 ppm2=7.855
assign ( resid 49 and name HN
)
( resid 48 and name HN
) 2.7 0.5 0.5 volume=0.963 peak=327 ppm1=7.303 ppm2=7.691
assign ( resid 61 and name HN
)
( resid 60 and name HN
) 3.4 0.7 0.7 volume=0.741 peak=103 ppm1=8.196 ppm2=7.609
assign ( resid 74 and name HN
)
( resid 74 and name HB2
) 2.6 0.5 0.5 volume=3.160 peak=99 ppm1=7.504 ppm2=2.002
assign ( resid 10 and name HN
)
( resid 10 and name HA
) 3.4 0.7 0.7 volume=0.677 peak=308 ppm1=8.930 ppm2=4.071
assign ( resid 29 and name HA
)
( resid 27 and name HD1
) 4.9 0.4 0.4 volume=0.671 peak=8 ppm1=8.330 ppm2=1.616
assign ( resid 55 and name HN
)
( resid 55 and name HA
) 3.1 0.8 0.8 volume=0.234 peak=38 ppm1=9.210 ppm2=4.273
assign ( resid 119 and name HN
)
( resid 119 and name HB2
) 3.6 0.4 0.4 volume=3.529 peak=81 ppm1=8.142 ppm2=1.809
assign ( resid 31 and name HN
)
( resid 30 and name HN
) 3.1 0.6 0.6 volume=1.152 peak=351 ppm1=7.439 ppm2=6.865
assign ( resid 66 and name HN
)
( resid 66 and name HA
) 3.6 0.7 0.7 volume=0.522 peak=394 ppm1=7.801 ppm2=4.577
assign ( resid 73 and name HN
)
( resid 73 and name HA
) 3.8 0.8 0.8 volume=0.360 peak=224 ppm1=8.589 ppm2=3.817
assign ( resid 34 and name HN
)
( resid 31 and name HN
) 4.2 0.6 0.6 volume=1.074 peak=251 ppm1=7.635 ppm2=7.433
assign ( resid 58 and name HN
)
( resid 57 and name HB1
) 2.7 0.5 0.5 volume=2.833 peak=71 ppm1=7.642 ppm2=2.195
assign ( resid 17 and name HN
)
( resid 17 and name HB1
) 3.3 0.5 0.5 volume=2.698 peak=312 ppm1=7.854 ppm2=2.066
assign ( resid 63 and name HN
)
( resid 62 and name HN
) 3.5 0.7 0.7 volume=0.552 peak=217 ppm1=8.652 ppm2=7.940
assign ( resid 69 and name HN
)
( resid 69 and name HA
) 3.4 0.7 0.7 volume=0.665 peak=18 ppm1=7.851 ppm2=3.852
assign ( resid 11 and name HN
)
( resid 11 and name HA
) 3.3 0.7 0.7 volume=0.815 peak=54 ppm1=7.565 ppm2=4.185
assign ( resid 25 and name HN
)
( resid 24 and name HA
) 2.3 0.4 0.4 volume=1.045 peak=298 ppm1=8.733 ppm2=4.010
assign ( resid 89 and name HN
)
( resid 88 and name HB1
) 3.5 0.7 0.7 volume=0.623 peak=289 ppm1=7.430 ppm2=2.061
assign ( resid 49 and name HN
)
( resid 47 and name HB2
) 4.6 0.5 0.5 volume=0.604 peak=127 ppm1=7.304 ppm2=2.144
assign ( resid 50 and name HN
)
( resid 50 and name HA
) 3.8 0.8 0.8 volume=0.377 peak=260 ppm1=7.595 ppm2=4.251
assign ( resid 88 and name HN
)
( resid 87 and name HB1
) 2.2 0.2 0.4 volume=1.173 peak=23 ppm1=7.692 ppm2=1.788
assign ( resid 105 and name HN
)
( resid 103 and name HN
) 3.3 0.7 0.7 volume=0.761 peak=307 ppm1=8.330 ppm2=8.779
assign ( resid 103 and name HN
)
( resid 104 and name HB#
) 4.2 0.3 0.3 volume=0.458 peak=98 ppm1=8.842 ppm2=1.252
assign ( resid 3 and name HN
)
( resid 4 and name HN
) 2.8 0.4 0.4 volume=0.704 peak=138 ppm1=9.400 ppm2=7.716
assign ( resid 24 and name HN
)
( resid 23 and name HN
) 2.6 0.4 0.4 volume=0.675 peak=137 ppm1=7.495 ppm2=7.883
assign ( resid 27 and name HN
)
( resid 27 and name HA
) 2.9 0.8 0.8 volume=0.315 peak=37 ppm1=8.575 ppm2=4.362
assign ( resid 116 and name HN
)
( resid 117 and name HN
) 4.1 0.8 0.8 volume=0.241 peak=102 ppm1=8.072 ppm2=8.316
assign ( resid 63 and name HN
)
( resid 63 and name HA
) 3.3 0.7 0.7 volume=0.906 peak=21 ppm1=8.653 ppm2=4.284
assign ( resid 69 and name HN
)
( resid 69 and name HB
) 3.1 0.6 0.6 volume=1.200 peak=180 ppm1=7.854 ppm2=3.527
assign ( resid 52 and name HN
)
( resid 52 and name HB2
) 2.7 0.3 0.3 volume=0.476 peak=82 ppm1=7.179 ppm2=3.139
assign ( resid 75 and name HN
)
( resid 72 and name HA
) 5.2 0.4 0.4 volume=0.594 peak=390 ppm1=7.399 ppm2=4.750
assign ( resid 53 and name HN
)
( resid 51 and name HD1#
) 4.5 0.4 0.4 volume=0.346 peak=35 ppm1=8.763 ppm2=0.611
assign ( resid 34 and name HN
)
( resid 33 and name HB1
) 3.0 0.7 0.7 volume=0.711 peak=389 ppm1=7.639 ppm2=1.478
assign ( resid 74 and name HN
)
( resid 74 and name HD1
) 3.6 0.4 0.4 volume=1.401 peak=3 ppm1=7.512 ppm2=1.613
assign ( resid 62 and name HN
)
( resid 63 and name HN
) 3.3 0.7 0.7 volume=0.791 peak=263 ppm1=7.948 ppm2=8.630
assign ( resid 57 and name HN
)
( resid 58 and name HN
) 2.6 0.4 0.4 volume=0.499 peak=48 ppm1=9.221 ppm2=7.614
assign ( resid 95 and name HN
)
( resid 94 and name HA
) 4.0 0.8 0.8 volume=0.258 peak=177 ppm1=7.951 ppm2=4.146
assign ( resid 71 and name HN
)
( resid 70 and name HB1
) 2.9 0.7 0.7 volume=0.340 peak=9 ppm1=7.965 ppm2=3.145
assign ( resid 64 and name HN
)
( resid 63 and name HN
) 3.5 0.7 0.7 volume=0.612 peak=184 ppm1=8.257 ppm2=8.634
assign ( resid 49 and name HN
)
( resid 49 and name HA1
) 2.8 0.5 0.5 volume=1.062 peak=324 ppm1=7.308 ppm2=3.190
assign ( resid 74 and name HN
)
( resid 73 and name HA
) 3.3 0.7 0.7 volume=0.831 peak=120 ppm1=7.501 ppm2=3.883
assign ( resid 21 and name HN
)
( resid 20 and name HN
) 2.6 0.2 0.3 volume=0.596 peak=284 ppm1=7.899 ppm2=8.383
assign ( resid 57 and name HN
)
( resid 57 and name HB1
) 2.9 0.6 0.6 volume=1.790 peak=322 ppm1=9.214 ppm2=2.204
assign ( resid 31 and name HN
)
( resid 31 and name HA
) 3.4 0.7 0.7 volume=0.642 peak=89 ppm1=7.435 ppm2=3.569
assign ( resid 66 and name HN
)
( resid 64 and name HN
) 3.5 0.7 0.7 volume=0.557 peak=156 ppm1=7.802 ppm2=8.221
assign ( resid 11 and name HN
)
( resid 11 and name HB2
) 3.2 1.2 0.6 volume=1.055 peak=306 ppm1=7.565 ppm2=3.347
assign ( resid 101 and name HN
)
( resid 98 and name HB2
) 5.5 0.4 0.4 volume=0.986 peak=352 ppm1=7.898 ppm2=2.466
assign ( resid 34 and name HN
)
( resid 33 and name HA
) 3.0 0.6 0.6 volume=1.346 peak=121 ppm1=7.638 ppm2=4.254
assign ( resid 69 and name HN
)
( resid 68 and name HN
) 3.5 0.7 0.7 volume=0.620 peak=332 ppm1=7.856 ppm2=8.857
assign ( resid 25 and name HN
)
( resid 25 and name HA
) 2.8 0.4 0.4 volume=0.250 peak=93 ppm1=8.734 ppm2=4.370
assign ( resid 11 and name HN
)
( resid 9 and name HB1
) 4.4 0.7 0.7 volume=0.734 peak=194 ppm1=7.567 ppm2=1.972
assign ( resid 57 and name HN
)
( resid 57 and name HA
) 3.7 0.7 0.7 volume=0.450 peak=291 ppm1=9.222 ppm2=4.406
assign ( resid 20 and name HN
)
( resid 22 and name HB2
) 4.8 0.6 0.6 volume=2.329 peak=227 ppm1=8.332 ppm2=1.718
assign ( resid 114 and name HN
)
( resid 113 and name HB1
) 3.6 0.7 0.7 volume=0.465 peak=203 ppm1=7.973 ppm2=2.755
assign ( resid 116 and name HN
)
( resid 116 and name HG1
) 3.7 0.7 0.7 volume=0.397 peak=57 ppm1=8.068 ppm2=1.125
assign ( resid 100 and name HN
)
( resid 99 and name HG2#
) 4.1 0.8 0.8 volume=0.701 peak=207 ppm1=7.637 ppm2=0.882
assign ( resid 98 and name HN
)
( resid 97 and name HB1
) 3.2 0.4 0.4 volume=2.412 peak=186 ppm1=8.378 ppm2=1.752
assign ( resid 94 and name HN
)
( resid 95 and name HN
) 3.5 0.7 0.7 volume=0.552 peak=40 ppm1=8.391 ppm2=7.902
assign ( resid 66 and name HN
)
( resid 64 and name HA
) 3.9 0.7 0.7 volume=0.737 peak=340 ppm1=7.800 ppm2=4.313
assign ( resid 47 and name HN
)
( resid 47 and name HG1
) 3.5 0.7 0.7 volume=0.594 peak=304 ppm1=6.525 ppm2=2.389
assign ( resid 63 and name HN
)
( resid 62 and name HB1
) 3.2 0.6 0.6 volume=1.083 peak=65 ppm1=8.653 ppm2=2.775
assign ( resid 99 and name HN
)
( resid 100 and name HA
) 4.8 0.7 0.7 volume=0.430 peak=146 ppm1=7.906 ppm2=3.849
assign ( resid 31 and name HN
)
( resid 29 and name HB#
) 4.5 0.8 0.8 volume=1.092 peak=175 ppm1=7.449 ppm2=1.140
assign ( resid 117 and name HN
)
( resid 117 and name HB2
) 3.0 0.6 0.6 volume=1.544 peak=193 ppm1=8.288 ppm2=2.662
assign ( resid 118 and name HN
)
( resid 118 and name HG
) 2.7 0.5 1.3 volume=2.849 peak=266 ppm1=8.088 ppm2=1.552
assign ( resid 54 and name HN
)
( resid 55 and name HN
) 3.4 0.7 0.7 volume=0.728 peak=85 ppm1=8.106 ppm2=9.193
assign ( resid 89 and name HD1#
)
( resid 1 and name 2HAB
) 3.0 1.0 1.0
assign ( resid 51 and name HG11
)
( resid 1 and name 2HAE
) 3.5 1.0 1.0
assign ( resid 93 and name HD2
)
( resid 1 and name 2HAE
) 3.5 1.0 1.0
assign ( resid 5 and name HA
)
( resid 1 and name 2HAI
) 4.0 1.0 1.0
assign ( resid 51 and name HG21
)
( resid 1 and name 2HAC
) 3.5 1.0 1.0
assign ( resid 48 and name HA
)
( resid 1 and name 1HAK
) 4.5 1.0 1.0
assign ( resid 7 and name HB1
)
( resid 1 and name 1HAG
) 4.0 1.0 1.0
assign ( resid 3 and name HN
)
( resid 1 and name 2HAM
) 4.5 0.4 0.4
assign ( resid 98 and name HB2
)
( resid 1 and name 1HAJ
) 2.5 1.0 1.0
assign ( resid 15 and name HG
)
( resid 1 and name 1HAC
) 3.5 1.0 1.0
assign ( resid 93 and name HD2
)
( resid 1 and name 2HAC
) 2.7 1.0 1.0
assign ( resid 51 and name HG12
)
( resid 1 and name 2HAC
) 4.5 1.0 1.0
assign ( resid 89 and name HD2#
)
( resid 1 and name 1HAB
) 3.5 1.0 1.0
assign ( resid 3 and name HN
)
( resid 1 and name 1HAM
) 4.8 0.4 0.4
assign ( resid 98 and name HB1
)
( resid 1 and name 2HAJ
) 3.5 1.0 1.0
assign ( resid 41 and name HD1#
)
( resid 1 and name 2HAB
) 5.3 0.7 0.7
assign ( resid 28 and name HA
)
( resid 30 and name HB1
) 5.2 0.4 0.4 volume=0.274 peak=249 ppm1=2.742 ppm2=3.971
assign ( resid 16 and name HE2
)
( resid 30 and name HB1
) 5.5 0.4 0.4 volume=1.107 peak=729 ppm1=2.741 ppm2=2.941
assign ( resid 12 and name HB
)
( resid 30 and name HB2
) 4.2 0.4 0.4 volume=0.775 peak=546 ppm1=2.740 ppm2=2.110
assign ( resid 75 and name HA
)
( resid 67 and name HE#
) 3.2 0.4 0.4
assign ( resid 83 and name HD1
)
( resid 57 and name HD1
) 4.3 0.4 0.4
assign ( resid 64 and name HE2#
)
( resid 79 and name HB#
) 2.2 0.6 0.6
assign ( resid 81 and name HB1
)
( resid 19 and name HD2#
) 3.0 0.5 0.5
assign ( resid 78 and name HG12
)
( resid 24 and name HG2#
) 4.0 0.5 0.5
assign ( resid 87 and name HA
)
( resid 53 and name HD1#
) 2.5 0.6 0.6
assign ( resid 86 and name HG2#
)
( resid 53 and name HG12
) 2.5 0.6 0.6
assign ( resid 102 and name HB#
)
( resid 50 and name HB
) 4.2 0.4 0.4
assign ( resid 48 and name HG2
)
( resid 98 and name HG2
) 2.9 0.4 0.4
assign ( resid 102 and name HB#
)
( resid 50 and name HG#
) 3.0 0.4 0.4
assign ( resid 99 and name HG2#
)
( resid 50 and name HA
) 4.4 0.5 0.5
assign ( resid 99 and name HG2#
)
( resid 51 and name HG2#
) 3.6 0.5 0.5 # Restraints file 2: rdc_upload.tab