Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
646540 | 6rk3 RC | 27503 | cing | 1-original | 2 | XPLOR/CNS | distance | NOE | simple |
# Restraints file 2: 13Cnoesy.tbl
ASSI { 27}
(( segid " A" and resid 12 and name HN ))
(( segid " A" and resid 11 and name HB2 ))
3.446 1.723 1.723 peak 27 weight 1.00000E+00 volume 5.47144E+05 ppm1 1.377 ppm2 7.971
ASSI { 28}
(( segid " A" and resid 11 and name HN ))
(( segid " A" and resid 11 and name HB2 ))
2.943 1.223 1.472 peak 28 weight 1.00000E+00 volume 1.40837E+06 ppm1 1.379 ppm2 7.151
ASSI { 29}
(( segid " A" and resid 11 and name HB2 ))
(( segid " A" and resid 8 and name HN ))
3.765 1.882 1.882 peak 29 weight 1.00000E+00 volume 2.62735E+04 ppm1 1.369 ppm2 6.140
ASSI { 30}
(( segid " A" and resid 11 and name HA ))
(( segid " A" and resid 11 and name HB2 ))
3.088 1.368 1.544 peak 30 weight 1.00000E+00 volume 1.05513E+06 ppm1 1.367 ppm2 4.234
ASSI { 34}
(( segid " A" and resid 14 and name HB2 ))
(( segid " A" and resid 14 and name HB1 ))
2.776 1.056 1.388 peak 34 weight 1.00000E+00 volume 1.19720E+05 ppm1 3.484 ppm2 3.700
ASSI { 38}
(( segid " A" and resid 14 and name HB2 ))
(( segid " A" and resid 13 and name HA ))
3.784 1.892 1.892 peak 38 weight 1.00000E+00 volume 2.61372E+04 ppm1 3.490 ppm2 5.054
ASSI { 39}
(( segid " A" and resid 14 and name HB2 ))
(( segid " A" and resid 14 and name HA ))
3.330 1.610 1.665 peak 39 weight 1.00000E+00 volume 4.08014E+04 ppm1 3.481 ppm2 5.609
ASSI { 40}
(( segid " A" and resid 14 and name HN ))
(( segid " A" and resid 14 and name HB2 ))
3.505 1.753 1.753 peak 40 weight 1.00000E+00 volume 4.93473E+05 ppm1 3.492 ppm2 8.832
ASSI { 41}
(( segid " A" and resid 14 and name HN ))
(( segid " A" and resid 14 and name HB1 ))
3.306 1.586 1.653 peak 41 weight 1.00000E+00 volume 7.00678E+05 ppm1 3.689 ppm2 8.838
ASSI { 42}
(( segid " A" and resid 14 and name HB1 ))
(( segid " A" and resid 14 and name HA ))
3.571 1.786 1.786 peak 42 weight 1.00000E+00 volume 4.41471E+05 ppm1 3.695 ppm2 5.599
ASSI { 43}
(( segid " A" and resid 14 and name HB1 ))
(( segid " A" and resid 13 and name HA ))
3.840 1.920 1.920 peak 43 weight 1.00000E+00 volume 2.85353E+05 ppm1 3.692 ppm2 5.055
ASSI { 44}
(( segid " A" and resid 14 and name HB2 ))
(( segid " A" and resid 14 and name HB1 ))
2.670 0.950 1.335 peak 44 weight 1.00000E+00 volume 1.34962E+05 ppm1 3.694 ppm2 3.490
ASSI { 47}
(( segid " A" and resid 14 and name HB2 ))
(( segid " A" and resid 14 and name HA ))
4.020 2.010 2.010 peak 47 weight 1.00000E+00 volume 1.84148E+04 ppm1 5.607 ppm2 3.490
ASSI { 48}
(( segid " A" and resid 14 and name HB1 ))
(( segid " A" and resid 14 and name HA ))
3.490 1.745 1.745 peak 48 weight 1.00000E+00 volume 2.09691E+04 ppm1 5.593 ppm2 3.694
ASSI { 49}
(( segid " A" and resid 19 and name HA ))
(( segid " A" and resid 14 and name HA ))
3.325 1.605 1.662 peak 49 weight 1.00000E+00 volume 4.29511E+04 ppm1 5.595 ppm2 5.090
ASSI { 50}
(( segid " A" and resid 20 and name HD1 ))
(( segid " A" and resid 14 and name HA ))
3.637 1.818 1.818 peak 50 weight 1.00000E+00 volume 2.66871E+04 ppm1 5.598 ppm2 7.105
ASSI { 51}
(( segid " A" and resid 15 and name HN ))
(( segid " A" and resid 14 and name HA ))
3.115 1.395 1.558 peak 51 weight 1.00000E+00 volume 1.00185E+06 ppm1 5.598 ppm2 8.631
ASSI { 52}
(( segid " A" and resid 13 and name HA ))
( segid " A" and resid 13 and name HD1#)
3.011 1.291 1.506 peak 52 weight 1.00000E+00 volume 1.22817E+06 ppm1 5.030 ppm2 0.468
ASSI { 56}
(( segid " A" and resid 13 and name HA ))
( segid " A" and resid 13 and name HD1#)
2.799 1.079 1.399 peak 56 weight 1.00000E+00 volume 1.18199E+05 ppm1 0.458 ppm2 5.026
ASSI { 58}
(( segid " A" and resid 13 and name HA ))
(( segid " A" and resid 63 and name HN ))
3.364 1.644 1.682 peak 58 weight 1.00000E+00 volume 4.09764E+04 ppm1 5.035 ppm2 7.829
ASSI { 60}
( segid " A" and resid 13 and name HD1#)
(( segid " A" and resid 12 and name HN ))
4.115 2.057 2.057 peak 60 weight 1.00000E+00 volume 3.41676E+04 ppm1 0.459 ppm2 7.981
ASSI { 61}
(( segid " A" and resid 14 and name HN ))
(( segid " A" and resid 13 and name HA ))
3.120 1.400 1.560 peak 61 weight 1.00000E+00 volume 5.55165E+04 ppm1 5.029 ppm2 8.835
ASSI { 62}
(( segid " A" and resid 14 and name HN ))
( segid " A" and resid 13 and name HD1#)
3.047 1.327 1.524 peak 62 weight 1.00000E+00 volume 8.24344E+04 ppm1 0.459 ppm2 8.837
ASSI { 63}
(( segid " A" and resid 13 and name HN ))
(( segid " A" and resid 12 and name HA ))
3.087 1.367 1.544 peak 63 weight 1.00000E+00 volume 6.82839E+04 ppm1 5.642 ppm2 9.078
ASSI { 64}
(( segid " A" and resid 13 and name HN ))
(( segid " A" and resid 12 and name HB ))
3.313 1.593 1.656 peak 64 weight 1.00000E+00 volume 4.38901E+04 ppm1 3.977 ppm2 9.061
ASSI { 65}
(( segid " A" and resid 20 and name HN ))
(( segid " A" and resid 12 and name HA ))
3.471 1.735 1.735 peak 65 weight 1.00000E+00 volume 3.08110E+04 ppm1 5.642 ppm2 8.927
ASSI { 68}
(( segid " A" and resid 12 and name HN ))
(( segid " A" and resid 12 and name HA ))
3.794 1.897 1.897 peak 68 weight 1.00000E+00 volume 3.06989E+05 ppm1 5.636 ppm2 7.972
ASSI { 69}
(( segid " A" and resid 12 and name HA ))
(( segid " A" and resid 12 and name HB ))
3.140 1.420 1.570 peak 69 weight 1.00000E+00 volume 9.54610E+05 ppm1 3.971 ppm2 5.630
ASSI { 70}
(( segid " A" and resid 12 and name HA ))
(( segid " A" and resid 12 and name HB ))
3.239 1.519 1.620 peak 70 weight 1.00000E+00 volume 7.92631E+05 ppm1 5.638 ppm2 3.973
ASSI { 71}
(( segid " A" and resid 21 and name HA ))
(( segid " A" and resid 12 and name HA ))
3.388 1.668 1.694 peak 71 weight 1.00000E+00 volume 6.05600E+05 ppm1 5.631 ppm2 5.245
ASSI { 77}
( segid " A" and resid 13 and name HD1#)
(( segid " A" and resid 12 and name HA ))
3.812 1.906 1.906 peak 77 weight 1.00000E+00 volume 2.98251E+05 ppm1 5.635 ppm2 0.479
ASSI { 79}
(( segid " A" and resid 12 and name HN ))
(( segid " A" and resid 11 and name HA ))
2.863 1.143 1.432 peak 79 weight 1.00000E+00 volume 1.31094E+05 ppm1 4.225 ppm2 7.972
ASSI { 80}
(( segid " A" and resid 11 and name HN ))
(( segid " A" and resid 11 and name HA ))
2.763 1.043 1.381 peak 80 weight 1.00000E+00 volume 1.60265E+05 ppm1 4.239 ppm2 7.133
ASSI { 81}
(( segid " A" and resid 22 and name HB ))
(( segid " A" and resid 11 and name HB2 ))
3.480 1.740 1.740 peak 81 weight 1.00000E+00 volume 4.57469E+04 ppm1 1.370 ppm2 2.159
ASSI { 84}
(( segid " A" and resid 10 and name HA2 ))
(( segid " A" and resid 10 and name HA1 ))
3.524 1.762 1.762 peak 84 weight 1.00000E+00 volume 4.78049E+05 ppm1 3.814 ppm2 4.423
ASSI { 93}
(( segid " A" and resid 7 and name HN ))
(( segid " A" and resid 7 and name HA ))
3.529 1.764 1.764 peak 93 weight 1.00000E+00 volume 4.74121E+05 ppm1 3.792 ppm2 7.072
ASSI { 94}
(( segid " A" and resid 7 and name HN ))
(( segid " A" and resid 7 and name HB2 ))
3.320 1.600 1.660 peak 94 weight 1.00000E+00 volume 2.93154E+04 ppm1 2.420 ppm2 7.067
ASSI { 95}
(( segid " A" and resid 6 and name HN ))
(( segid " A" and resid 7 and name HA ))
3.490 1.745 1.745 peak 95 weight 1.00000E+00 volume 2.70702E+04 ppm1 3.799 ppm2 7.933
ASSI { 97}
(( segid " A" and resid 7 and name HA ))
( segid " A" and resid 7 and name HE# )
3.117 1.397 1.559 peak 97 weight 1.00000E+00 volume 9.97990E+05 ppm1 3.795 ppm2 6.558
ASSI { 98}
(( segid " A" and resid 8 and name HN ))
(( segid " A" and resid 7 and name HA ))
2.888 1.168 1.444 peak 98 weight 1.00000E+00 volume 1.57807E+06 ppm1 3.795 ppm2 6.126
ASSI { 100}
(( segid " A" and resid 5 and name HA ))
(( segid " A" and resid 5 and name HB2 ))
3.276 1.556 1.638 peak 100 weight 1.00000E+00 volume 7.41263E+05 ppm1 2.476 ppm2 4.284
ASSI { 107}
(( segid " A" and resid 15 and name HN ))
(( segid " A" and resid 15 and name HA ))
3.250 1.530 1.625 peak 107 weight 1.00000E+00 volume 5.63529E+04 ppm1 4.502 ppm2 8.633
ASSI { 108}
(( segid " A" and resid 15 and name HA ))
(( segid " A" and resid 17 and name HN ))
3.971 1.986 1.986 peak 108 weight 1.00000E+00 volume 2.60661E+04 ppm1 4.509 ppm2 8.860
ASSI { 111}
(( segid " A" and resid 17 and name HB2 ))
(( segid " A" and resid 17 and name HB1 ))
2.221 0.501 1.111 peak 111 weight 1.00000E+00 volume 5.15079E+05 ppm1 3.114 ppm2 2.907
ASSI { 112}
(( segid " A" and resid 17 and name HB2 ))
(( segid " A" and resid 17 and name HB1 ))
2.213 0.493 1.107 peak 112 weight 1.00000E+00 volume 5.24576E+05 ppm1 2.903 ppm2 3.117
ASSI { 113}
(( segid " A" and resid 17 and name HB1 ))
(( segid " A" and resid 17 and name HN ))
3.917 1.959 1.959 peak 113 weight 1.00000E+00 volume 2.49738E+04 ppm1 2.902 ppm2 8.866
ASSI { 114}
(( segid " A" and resid 18 and name HN ))
(( segid " A" and resid 17 and name HB1 ))
3.709 1.854 1.854 peak 114 weight 1.00000E+00 volume 2.90642E+04 ppm1 2.900 ppm2 7.883
ASSI { 117}
(( segid " A" and resid 17 and name HB1 ))
(( segid " A" and resid 17 and name HA ))
2.924 1.204 1.462 peak 117 weight 1.00000E+00 volume 8.66051E+04 ppm1 2.900 ppm2 4.297
ASSI { 118}
(( segid " A" and resid 17 and name HB2 ))
(( segid " A" and resid 17 and name HA ))
2.805 1.085 1.403 peak 118 weight 1.00000E+00 volume 1.87853E+06 ppm1 3.119 ppm2 4.290
ASSI { 120}
(( segid " A" and resid 18 and name HA ))
( segid " A" and resid 18 and name HB# )
2.646 0.926 1.323 peak 120 weight 1.00000E+00 volume 2.66698E+06 ppm1 4.485 ppm2 1.110
ASSI { 123}
(( segid " A" and resid 19 and name HN ))
(( segid " A" and resid 18 and name HA ))
2.879 1.159 1.439 peak 123 weight 1.00000E+00 volume 7.92416E+04 ppm1 4.487 ppm2 7.546
ASSI { 124}
(( segid " A" and resid 18 and name HN ))
(( segid " A" and resid 18 and name HA ))
3.385 1.665 1.693 peak 124 weight 1.00000E+00 volume 2.44545E+04 ppm1 4.482 ppm2 7.881
ASSI { 125}
(( segid " A" and resid 20 and name HN ))
(( segid " A" and resid 19 and name HA ))
3.181 1.461 1.591 peak 125 weight 1.00000E+00 volume 8.82922E+05 ppm1 5.086 ppm2 8.961
ASSI { 126}
(( segid " A" and resid 19 and name HA ))
(( segid " A" and resid 20 and name HD1 ))
3.693 1.846 1.846 peak 126 weight 1.00000E+00 volume 3.61150E+05 ppm1 5.084 ppm2 7.101
ASSI { 127}
(( segid " A" and resid 19 and name HA ))
(( segid " A" and resid 14 and name HA ))
3.287 1.567 1.644 peak 127 weight 1.00000E+00 volume 7.25562E+05 ppm1 5.087 ppm2 5.597
ASSI { 128}
(( segid " A" and resid 19 and name HA ))
( segid " A" and resid 18 and name HB# )
3.185 1.465 1.593 peak 128 weight 1.00000E+00 volume 8.76380E+05 ppm1 5.090 ppm2 1.139
ASSI { 130}
(( segid " A" and resid 20 and name HA ))
(( segid " A" and resid 21 and name HB2 ))
3.461 1.730 1.730 peak 130 weight 1.00000E+00 volume 5.32676E+05 ppm1 5.533 ppm2 1.560
ASSI { 131}
(( segid " A" and resid 20 and name HA ))
(( segid " A" and resid 43 and name HA ))
3.533 1.766 1.766 peak 131 weight 1.00000E+00 volume 4.70929E+05 ppm1 5.540 ppm2 3.956
ASSI { 132}
(( segid " A" and resid 44 and name HN ))
(( segid " A" and resid 20 and name HA ))
3.691 1.846 1.846 peak 132 weight 1.00000E+00 volume 3.62052E+05 ppm1 5.533 ppm2 8.374
ASSI { 133}
(( segid " A" and resid 13 and name HN ))
(( segid " A" and resid 21 and name HA ))
2.584 0.864 1.292 peak 133 weight 1.00000E+00 volume 3.07738E+06 ppm1 5.210 ppm2 9.096
ASSI { 136}
(( segid " A" and resid 22 and name HN ))
(( segid " A" and resid 21 and name HB1 ))
3.541 1.770 1.770 peak 136 weight 1.00000E+00 volume 4.64508E+05 ppm1 1.672 ppm2 8.925
ASSI { 142}
(( segid " A" and resid 22 and name HB ))
( segid " A" and resid 22 and name HG2#)
3.380 1.660 1.690 peak 142 weight 1.00000E+00 volume 6.52694E+04 ppm1 2.157 ppm2 0.337
ASSI { 143}
(( segid " A" and resid 22 and name HB ))
(( segid " A" and resid 11 and name HB2 ))
3.571 1.786 1.786 peak 143 weight 1.00000E+00 volume 3.11200E+04 ppm1 2.157 ppm2 1.391
ASSI { 145}
(( segid " A" and resid 22 and name HB ))
( segid " A" and resid 22 and name HG2#)
2.723 1.003 1.361 peak 145 weight 1.00000E+00 volume 1.97086E+05 ppm1 0.323 ppm2 2.166
ASSI { 147}
(( segid " A" and resid 22 and name HN ))
( segid " A" and resid 22 and name HG2#)
2.764 1.044 1.382 peak 147 weight 1.00000E+00 volume 1.77669E+05 ppm1 0.330 ppm2 8.917
ASSI { 148}
(( segid " A" and resid 23 and name HN ))
( segid " A" and resid 22 and name HG2#)
3.165 1.445 1.582 peak 148 weight 1.00000E+00 volume 6.45111E+04 ppm1 0.325 ppm2 9.098
ASSI { 149}
(( segid " A" and resid 23 and name HN ))
(( segid " A" and resid 23 and name HB ))
3.278 1.558 1.639 peak 149 weight 1.00000E+00 volume 5.86396E+04 ppm1 1.916 ppm2 9.089
ASSI { 150}
(( segid " A" and resid 24 and name HN ))
(( segid " A" and resid 23 and name HB ))
3.146 1.426 1.573 peak 150 weight 1.00000E+00 volume 6.49675E+04 ppm1 1.914 ppm2 8.012
ASSI { 151}
(( segid " A" and resid 23 and name HA ))
(( segid " A" and resid 23 and name HB ))
3.211 1.491 1.605 peak 151 weight 1.00000E+00 volume 5.82836E+04 ppm1 1.922 ppm2 4.399
ASSI { 154}
(( segid " A" and resid 24 and name HN ))
(( segid " A" and resid 23 and name HG12))
3.357 1.637 1.678 peak 154 weight 1.00000E+00 volume 3.73092E+04 ppm1 1.255 ppm2 8.042
ASSI { 155}
(( segid " A" and resid 23 and name HN ))
(( segid " A" and resid 23 and name HG12))
3.382 1.662 1.691 peak 155 weight 1.00000E+00 volume 4.00558E+04 ppm1 1.263 ppm2 9.087
ASSI { 156}
(( segid " A" and resid 23 and name HN ))
(( segid " A" and resid 23 and name HG11))
3.361 1.641 1.681 peak 156 weight 1.00000E+00 volume 4.65781E+04 ppm1 1.353 ppm2 9.089
ASSI { 157}
(( segid " A" and resid 42 and name HA ))
(( segid " A" and resid 23 and name HG11))
3.639 1.819 1.819 peak 157 weight 1.00000E+00 volume 3.94437E+05 ppm1 1.355 ppm2 5.347
ASSI { 159}
(( segid " A" and resid 24 and name HN ))
(( segid " A" and resid 24 and name HA ))
3.096 1.376 1.548 peak 159 weight 1.00000E+00 volume 5.86820E+04 ppm1 4.789 ppm2 7.963
ASSI { 164}
(( segid " A" and resid 26 and name HN ))
(( segid " A" and resid 25 and name HA ))
3.028 1.308 1.514 peak 164 weight 1.00000E+00 volume 1.18838E+06 ppm1 5.456 ppm2 8.716
ASSI { 168}
(( segid " A" and resid 26 and name HA ))
(( segid " A" and resid 26 and name HB2 ))
2.754 1.034 1.377 peak 168 weight 1.00000E+00 volume 2.09862E+06 ppm1 5.196 ppm2 1.832
ASSI { 171}
(( segid " A" and resid 27 and name HA ))
(( segid " A" and resid 27 and name HB2 ))
2.931 1.211 1.466 peak 171 weight 1.00000E+00 volume 1.44360E+06 ppm1 4.813 ppm2 2.953
ASSI { 175}
(( segid " A" and resid 28 and name HA ))
( segid " A" and resid 28 and name HG1#)
2.857 1.137 1.428 peak 175 weight 1.00000E+00 volume 8.61239E+04 ppm1 3.946 ppm2 0.605
ASSI { 177}
(( segid " A" and resid 37 and name HN ))
(( segid " A" and resid 36 and name HA ))
3.032 1.312 1.516 peak 177 weight 1.00000E+00 volume 8.30235E+04 ppm1 5.174 ppm2 9.311
ASSI { 180}
(( segid " A" and resid 56 and name HN ))
(( segid " A" and resid 36 and name HA ))
3.716 1.858 1.858 peak 180 weight 1.00000E+00 volume 2.26214E+04 ppm1 5.176 ppm2 7.991
ASSI { 181}
(( segid " A" and resid 36 and name HA ))
( segid " A" and resid 36 and name HD# )
3.550 1.775 1.775 peak 181 weight 1.00000E+00 volume 2.58562E+04 ppm1 5.180 ppm2 7.063
ASSI { 183}
(( segid " A" and resid 36 and name HA ))
(( segid " A" and resid 36 and name HB2 ))
3.014 1.294 1.507 peak 183 weight 1.00000E+00 volume 7.19694E+04 ppm1 5.177 ppm2 3.035
ASSI { 184}
(( segid " A" and resid 36 and name HA ))
(( segid " A" and resid 36 and name HB2 ))
3.637 1.819 1.819 peak 184 weight 1.00000E+00 volume 3.95388E+05 ppm1 3.016 ppm2 5.191
ASSI { 185}
( segid " A" and resid 36 and name HD# )
(( segid " A" and resid 36 and name HB2 ))
3.199 1.479 1.600 peak 185 weight 1.00000E+00 volume 8.53573E+05 ppm1 3.011 ppm2 7.071
ASSI { 186}
(( segid " A" and resid 38 and name HN ))
(( segid " A" and resid 37 and name HA ))
2.960 1.240 1.480 peak 186 weight 1.00000E+00 volume 7.17144E+04 ppm1 4.832 ppm2 8.889
ASSI { 189}
(( segid " A" and resid 37 and name HA ))
( segid " A" and resid 37 and name HG1#)
2.836 1.116 1.418 peak 189 weight 1.00000E+00 volume 9.31314E+04 ppm1 4.838 ppm2 0.572
ASSI { 190}
(( segid " A" and resid 39 and name HN ))
(( segid " A" and resid 38 and name HA ))
2.874 1.154 1.437 peak 190 weight 1.00000E+00 volume 1.62409E+06 ppm1 4.906 ppm2 9.005
ASSI { 191}
(( segid " A" and resid 53 and name HA ))
(( segid " A" and resid 38 and name HA ))
3.632 1.816 1.816 peak 191 weight 1.00000E+00 volume 3.99108E+05 ppm1 4.907 ppm2 5.193
ASSI { 192}
(( segid " A" and resid 38 and name HA ))
(( segid " A" and resid 38 and name HB2 ))
3.071 1.351 1.535 peak 192 weight 1.00000E+00 volume 1.09172E+06 ppm1 4.910 ppm2 1.894
ASSI { 193}
(( segid " A" and resid 38 and name HA ))
(( segid " A" and resid 38 and name HB1 ))
3.335 1.615 1.668 peak 193 weight 1.00000E+00 volume 3.44616E+04 ppm1 4.893 ppm2 1.701
ASSI { 195}
(( segid " A" and resid 38 and name HA ))
( segid " A" and resid 28 and name HG1#)
3.302 1.582 1.651 peak 195 weight 1.00000E+00 volume 3.34065E+04 ppm1 4.904 ppm2 0.558
ASSI { 196}
(( segid " A" and resid 40 and name HN ))
(( segid " A" and resid 39 and name HA ))
3.070 1.350 1.535 peak 196 weight 1.00000E+00 volume 5.53976E+04 ppm1 5.390 ppm2 8.611
ASSI { 197}
(( segid " A" and resid 39 and name HA ))
(( segid " A" and resid 39 and name HB2 ))
3.150 1.430 1.575 peak 197 weight 1.00000E+00 volume 4.21078E+04 ppm1 5.385 ppm2 3.967
ASSI { 200}
(( segid " A" and resid 39 and name HA ))
(( segid " A" and resid 39 and name HB2 ))
3.219 1.499 1.609 peak 200 weight 1.00000E+00 volume 5.13184E+04 ppm1 3.905 ppm2 5.390
ASSI { 201}
( segid " A" and resid 54 and name HE# )
(( segid " A" and resid 39 and name HB2 ))
3.916 1.958 1.958 peak 201 weight 1.00000E+00 volume 1.98328E+04 ppm1 3.911 ppm2 7.169
ASSI { 203}
(( segid " A" and resid 40 and name HN ))
(( segid " A" and resid 39 and name HB2 ))
3.442 1.721 1.721 peak 203 weight 1.00000E+00 volume 3.29616E+04 ppm1 3.900 ppm2 8.612
ASSI { 206}
(( segid " A" and resid 40 and name HN ))
(( segid " A" and resid 40 and name HB2 ))
3.371 1.651 1.686 peak 206 weight 1.00000E+00 volume 6.23476E+05 ppm1 1.583 ppm2 8.605
ASSI { 211}
(( segid " A" and resid 23 and name HN ))
(( segid " A" and resid 41 and name HA ))
3.320 1.600 1.660 peak 211 weight 1.00000E+00 volume 6.84131E+05 ppm1 5.328 ppm2 9.078
ASSI { 212}
(( segid " A" and resid 42 and name HN ))
(( segid " A" and resid 41 and name HA ))
2.970 1.250 1.485 peak 212 weight 1.00000E+00 volume 1.33475E+06 ppm1 5.330 ppm2 9.312
ASSI { 213}
( segid " A" and resid 49 and name HD1#)
(( segid " A" and resid 42 and name HA ))
3.218 1.498 1.609 peak 213 weight 1.00000E+00 volume 4.79154E+04 ppm1 5.347 ppm2 0.820
ASSI { 214}
(( segid " A" and resid 42 and name HA ))
(( segid " A" and resid 23 and name HG11))
3.310 1.590 1.655 peak 214 weight 1.00000E+00 volume 3.50996E+04 ppm1 5.349 ppm2 1.384
ASSI { 215}
(( segid " A" and resid 42 and name HN ))
(( segid " A" and resid 42 and name HA ))
3.105 1.385 1.553 peak 215 weight 1.00000E+00 volume 3.77084E+04 ppm1 5.346 ppm2 9.318
ASSI { 216}
(( segid " A" and resid 43 and name HN ))
(( segid " A" and resid 42 and name HA ))
3.449 1.725 1.725 peak 216 weight 1.00000E+00 volume 5.43773E+05 ppm1 5.347 ppm2 9.725
ASSI { 220}
(( segid " A" and resid 20 and name HA ))
(( segid " A" and resid 43 and name HA ))
3.731 1.866 1.866 peak 220 weight 1.00000E+00 volume 3.39256E+05 ppm1 3.921 ppm2 5.530
ASSI { 221}
(( segid " A" and resid 20 and name HD1 ))
(( segid " A" and resid 43 and name HA ))
3.810 1.905 1.905 peak 221 weight 1.00000E+00 volume 2.99453E+05 ppm1 3.913 ppm2 7.119
ASSI { 223}
(( segid " A" and resid 21 and name HN ))
(( segid " A" and resid 43 and name HA ))
3.946 1.973 1.973 peak 223 weight 1.00000E+00 volume 2.42642E+05 ppm1 3.917 ppm2 9.295
ASSI { 224}
(( segid " A" and resid 44 and name HA ))
( segid " A" and resid 44 and name HD1#)
2.705 0.985 1.353 peak 224 weight 1.00000E+00 volume 2.33456E+06 ppm1 4.013 ppm2 0.798
ASSI { 226}
(( segid " A" and resid 44 and name HN ))
(( segid " A" and resid 44 and name HA ))
3.432 1.712 1.716 peak 226 weight 1.00000E+00 volume 4.21702E+04 ppm1 4.007 ppm2 8.364
ASSI { 228}
(( segid " A" and resid 45 and name HN ))
(( segid " A" and resid 45 and name HA ))
3.403 1.683 1.701 peak 228 weight 1.00000E+00 volume 5.65282E+04 ppm1 4.463 ppm2 8.205
ASSI { 230}
( segid " A" and resid 46 and name HG2#)
(( segid " A" and resid 46 and name HB ))
2.756 1.036 1.378 peak 230 weight 1.00000E+00 volume 1.61344E+05 ppm1 4.389 ppm2 1.058
ASSI { 231}
( segid " A" and resid 48 and name HB# )
(( segid " A" and resid 46 and name HB ))
3.470 1.735 1.735 peak 231 weight 1.00000E+00 volume 4.05955E+04 ppm1 4.392 ppm2 1.406
ASSI { 233}
(( segid " A" and resid 47 and name HN ))
(( segid " A" and resid 47 and name HA2 ))
3.342 1.622 1.671 peak 233 weight 1.00000E+00 volume 2.92734E+04 ppm1 3.647 ppm2 8.320
ASSI { 234}
(( segid " A" and resid 47 and name HN ))
(( segid " A" and resid 47 and name HA1 ))
3.289 1.569 1.644 peak 234 weight 1.00000E+00 volume 3.56196E+04 ppm1 4.260 ppm2 8.330
ASSI { 235}
(( segid " A" and resid 47 and name HA2 ))
(( segid " A" and resid 47 and name HA1 ))
2.791 1.071 1.395 peak 235 weight 1.00000E+00 volume 9.73680E+04 ppm1 3.640 ppm2 4.268
ASSI { 236}
(( segid " A" and resid 47 and name HA2 ))
(( segid " A" and resid 47 and name HA1 ))
2.805 1.085 1.402 peak 236 weight 1.00000E+00 volume 1.01759E+05 ppm1 4.267 ppm2 3.652
ASSI { 237}
( segid " A" and resid 49 and name HD1#)
(( segid " A" and resid 48 and name HA ))
3.575 1.787 1.787 peak 237 weight 1.00000E+00 volume 2.76044E+04 ppm1 4.263 ppm2 0.846
ASSI { 238}
( segid " A" and resid 48 and name HB# )
(( segid " A" and resid 48 and name HA ))
2.646 0.926 1.323 peak 238 weight 1.00000E+00 volume 1.87183E+05 ppm1 4.264 ppm2 1.403
ASSI { 240}
(( segid " A" and resid 48 and name HN ))
(( segid " A" and resid 48 and name HA ))
3.420 1.700 1.710 peak 240 weight 1.00000E+00 volume 4.39212E+04 ppm1 4.267 ppm2 7.522
ASSI { 241}
(( segid " A" and resid 49 and name HN ))
(( segid " A" and resid 48 and name HA ))
2.629 0.909 1.315 peak 241 weight 1.00000E+00 volume 2.77129E+06 ppm1 4.262 ppm2 8.432
ASSI { 242}
(( segid " A" and resid 49 and name HA ))
( segid " A" and resid 49 and name HD1#)
2.781 1.061 1.391 peak 242 weight 1.00000E+00 volume 1.97898E+06 ppm1 5.419 ppm2 0.841
ASSI { 244}
(( segid " A" and resid 49 and name HA ))
(( segid " A" and resid 42 and name HB2 ))
3.398 1.678 1.699 peak 244 weight 1.00000E+00 volume 5.94600E+05 ppm1 5.404 ppm2 1.832
ASSI { 245}
(( segid " A" and resid 50 and name HN ))
(( segid " A" and resid 49 and name HA ))
2.955 1.235 1.477 peak 245 weight 1.00000E+00 volume 1.37628E+06 ppm1 5.412 ppm2 9.280
ASSI { 250}
(( segid " A" and resid 52 and name HN ))
(( segid " A" and resid 51 and name HA ))
2.820 1.100 1.410 peak 250 weight 1.00000E+00 volume 1.82147E+06 ppm1 5.184 ppm2 8.553
ASSI { 253}
(( segid " A" and resid 54 and name HN ))
(( segid " A" and resid 53 and name HA ))
2.831 1.111 1.416 peak 253 weight 1.00000E+00 volume 1.28060E+05 ppm1 5.181 ppm2 9.035
ASSI { 254}
(( segid " A" and resid 53 and name HA ))
(( segid " A" and resid 38 and name HA ))
3.141 1.421 1.570 peak 254 weight 1.00000E+00 volume 7.69236E+04 ppm1 5.184 ppm2 4.916
ASSI { 258}
(( segid " A" and resid 53 and name HA ))
(( segid " A" and resid 53 and name HB ))
3.205 1.485 1.602 peak 258 weight 1.00000E+00 volume 5.93795E+04 ppm1 4.537 ppm2 5.179
ASSI { 260}
( segid " A" and resid 54 and name HD# )
(( segid " A" and resid 54 and name HA ))
3.479 1.740 1.740 peak 260 weight 1.00000E+00 volume 5.17084E+04 ppm1 4.787 ppm2 7.049
ASSI { 261}
(( segid " A" and resid 54 and name HN ))
(( segid " A" and resid 54 and name HA ))
3.573 1.787 1.787 peak 261 weight 1.00000E+00 volume 2.83690E+04 ppm1 4.770 ppm2 9.028
ASSI { 263}
(( segid " A" and resid 56 and name HN ))
( segid " A" and resid 56 and name HB# )
2.783 1.063 1.392 peak 263 weight 1.00000E+00 volume 8.16265E+04 ppm1 1.299 ppm2 7.981
ASSI { 264}
( segid " A" and resid 56 and name HB# )
(( segid " A" and resid 56 and name HA ))
2.538 0.818 1.269 peak 264 weight 1.00000E+00 volume 1.55540E+05 ppm1 1.295 ppm2 4.708
ASSI { 267}
( segid " A" and resid 56 and name HB# )
(( segid " A" and resid 34 and name HB2 ))
2.859 1.139 1.430 peak 267 weight 1.00000E+00 volume 1.67584E+06 ppm1 1.293 ppm2 3.864
ASSI { 269}
(( segid " A" and resid 62 and name HB2 ))
(( segid " A" and resid 62 and name HA ))
3.017 1.297 1.509 peak 269 weight 1.00000E+00 volume 1.21292E+06 ppm1 4.596 ppm2 1.936
ASSI { 270}
(( segid " A" and resid 62 and name HB1 ))
(( segid " A" and resid 62 and name HA ))
3.182 1.462 1.591 peak 270 weight 1.00000E+00 volume 5.00164E+04 ppm1 4.601 ppm2 2.216
ASSI { 272}
(( segid " A" and resid 13 and name HA ))
(( segid " A" and resid 62 and name HA ))
3.432 1.712 1.716 peak 272 weight 1.00000E+00 volume 5.60734E+05 ppm1 4.598 ppm2 5.032
ASSI { 273}
(( segid " A" and resid 63 and name HN ))
(( segid " A" and resid 62 and name HA ))
3.042 1.322 1.521 peak 273 weight 1.00000E+00 volume 1.15547E+06 ppm1 4.604 ppm2 7.832
ASSI { 280}
(( segid " A" and resid 63 and name HA ))
( segid " A" and resid 63 and name HB# )
2.901 1.181 1.450 peak 280 weight 1.00000E+00 volume 1.53596E+06 ppm1 4.601 ppm2 0.852
ASSI { 287}
(( segid " A" and resid 67 and name HA ))
(( segid " A" and resid 67 and name HB2 ))
3.188 1.468 1.594 peak 287 weight 1.00000E+00 volume 8.71826E+05 ppm1 2.554 ppm2 5.354
ASSI { 288}
(( segid " A" and resid 68 and name HN ))
(( segid " A" and resid 67 and name HB2 ))
3.484 1.742 1.742 peak 288 weight 1.00000E+00 volume 5.11631E+05 ppm1 2.550 ppm2 8.800
ASSI { 289}
(( segid " A" and resid 68 and name HN ))
(( segid " A" and resid 68 and name HA ))
2.979 1.259 1.490 peak 289 weight 1.00000E+00 volume 1.30864E+06 ppm1 4.612 ppm2 8.818
ASSI { 297}
(( segid " A" and resid 71 and name HN ))
(( segid " A" and resid 71 and name HB2 ))
2.858 1.138 1.429 peak 297 weight 1.00000E+00 volume 1.68000E+06 ppm1 1.998 ppm2 9.091
ASSI { 298}
( segid " A" and resid 82 and name HD# )
(( segid " A" and resid 72 and name HB2 ))
4.067 2.034 2.034 peak 298 weight 1.00000E+00 volume 2.02172E+05 ppm1 2.745 ppm2 6.983
ASSI { 304}
(( segid " A" and resid 75 and name HN ))
(( segid " A" and resid 74 and name HA ))
2.935 1.215 1.467 peak 304 weight 1.00000E+00 volume 1.43336E+06 ppm1 4.186 ppm2 8.425
ASSI { 306}
(( segid " A" and resid 74 and name HN ))
(( segid " A" and resid 74 and name HA ))
3.375 1.655 1.687 peak 306 weight 1.00000E+00 volume 4.03504E+04 ppm1 4.193 ppm2 6.334
ASSI { 307}
(( segid " A" and resid 74 and name HA ))
(( segid " A" and resid 74 and name HB2 ))
3.044 1.324 1.522 peak 307 weight 1.00000E+00 volume 9.94488E+04 ppm1 4.184 ppm2 3.333
ASSI { 308}
(( segid " A" and resid 74 and name HA ))
(( segid " A" and resid 74 and name HB1 ))
3.052 1.332 1.526 peak 308 weight 1.00000E+00 volume 8.77334E+04 ppm1 4.187 ppm2 2.833
ASSI { 309}
( segid " A" and resid 74 and name HE# )
(( segid " A" and resid 74 and name HB1 ))
3.380 1.660 1.690 peak 309 weight 1.00000E+00 volume 4.37489E+04 ppm1 2.841 ppm2 6.602
ASSI { 310}
(( segid " A" and resid 75 and name HN ))
(( segid " A" and resid 74 and name HB1 ))
3.385 1.665 1.692 peak 310 weight 1.00000E+00 volume 3.85569E+04 ppm1 2.847 ppm2 8.426
ASSI { 311}
(( segid " A" and resid 75 and name HN ))
(( segid " A" and resid 74 and name HB2 ))
3.342 1.622 1.671 peak 311 weight 1.00000E+00 volume 4.22040E+04 ppm1 3.334 ppm2 8.430
ASSI { 312}
( segid " A" and resid 74 and name HE# )
(( segid " A" and resid 74 and name HB2 ))
3.252 1.532 1.626 peak 312 weight 1.00000E+00 volume 4.64432E+04 ppm1 3.336 ppm2 6.605
ASSI { 313}
(( segid " A" and resid 74 and name HA ))
(( segid " A" and resid 74 and name HB2 ))
3.192 1.472 1.596 peak 313 weight 1.00000E+00 volume 5.63356E+04 ppm1 3.333 ppm2 4.187
ASSI { 314}
(( segid " A" and resid 74 and name HA ))
(( segid " A" and resid 74 and name HB1 ))
3.271 1.551 1.635 peak 314 weight 1.00000E+00 volume 6.65239E+04 ppm1 2.826 ppm2 4.182
ASSI { 315}
(( segid " A" and resid 74 and name HB2 ))
(( segid " A" and resid 74 and name HB1 ))
3.064 1.344 1.532 peak 315 weight 1.00000E+00 volume 7.66751E+04 ppm1 2.837 ppm2 3.328
ASSI { 316}
(( segid " A" and resid 74 and name HB2 ))
(( segid " A" and resid 74 and name HB1 ))
2.913 1.193 1.456 peak 316 weight 1.00000E+00 volume 8.75491E+04 ppm1 3.339 ppm2 2.834
ASSI { 317}
(( segid " A" and resid 76 and name HN ))
(( segid " A" and resid 76 and name HB2 ))
3.680 1.840 1.840 peak 317 weight 1.00000E+00 volume 3.68881E+05 ppm1 2.371 ppm2 8.840
ASSI { 318}
(( segid " A" and resid 76 and name HB2 ))
( segid " A" and resid 74 and name HE# )
3.436 1.716 1.718 peak 318 weight 1.00000E+00 volume 5.56396E+05 ppm1 2.366 ppm2 6.592
ASSI { 324}
(( segid " A" and resid 79 and name HA ))
(( segid " A" and resid 79 and name HB1 ))
3.456 1.728 1.728 peak 324 weight 1.00000E+00 volume 3.57162E+04 ppm1 5.193 ppm2 2.432
ASSI { 326}
(( segid " A" and resid 79 and name HN ))
(( segid " A" and resid 79 and name HA ))
3.991 1.995 1.995 peak 326 weight 1.00000E+00 volume 2.66679E+04 ppm1 5.202 ppm2 7.729
ASSI { 327}
(( segid " A" and resid 80 and name HN ))
(( segid " A" and resid 79 and name HA ))
2.937 1.217 1.468 peak 327 weight 1.00000E+00 volume 6.20779E+04 ppm1 5.190 ppm2 9.054
ASSI { 328}
(( segid " A" and resid 79 and name HA ))
(( segid " A" and resid 79 and name HB2 ))
4.027 2.013 2.013 peak 328 weight 1.00000E+00 volume 2.49444E+04 ppm1 5.196 ppm2 2.844
ASSI { 329}
(( segid " A" and resid 79 and name HN ))
(( segid " A" and resid 79 and name HB2 ))
3.197 1.477 1.598 peak 329 weight 1.00000E+00 volume 8.58237E+05 ppm1 2.810 ppm2 7.717
ASSI { 331}
(( segid " A" and resid 82 and name HN ))
(( segid " A" and resid 81 and name HA ))
3.203 1.483 1.602 peak 331 weight 1.00000E+00 volume 8.47273E+05 ppm1 4.432 ppm2 9.065
ASSI { 332}
(( segid " A" and resid 83 and name HN ))
(( segid " A" and resid 82 and name HA ))
3.305 1.585 1.653 peak 332 weight 1.00000E+00 volume 7.02337E+05 ppm1 5.334 ppm2 9.329
ASSI { 341}
(( segid " A" and resid 83 and name HA ))
(( segid " A" and resid 84 and name HN ))
3.401 1.681 1.700 peak 341 weight 1.00000E+00 volume 3.84106E+04 ppm1 5.152 ppm2 8.698
ASSI { 343}
(( segid " A" and resid 83 and name HA ))
(( segid " A" and resid 90 and name HA ))
3.314 1.594 1.657 peak 343 weight 1.00000E+00 volume 3.97894E+04 ppm1 5.168 ppm2 5.460
ASSI { 348}
(( segid " A" and resid 84 and name HN ))
(( segid " A" and resid 84 and name HB2 ))
3.229 1.509 1.614 peak 348 weight 1.00000E+00 volume 8.07728E+05 ppm1 2.520 ppm2 8.685
ASSI { 350}
(( segid " A" and resid 89 and name HB1 ))
(( segid " A" and resid 84 and name HB2 ))
3.347 1.627 1.674 peak 350 weight 1.00000E+00 volume 6.51045E+05 ppm1 2.524 ppm2 1.832
ASSI { 351}
(( segid " A" and resid 86 and name HN ))
(( segid " A" and resid 85 and name HB2 ))
4.168 2.084 2.084 peak 351 weight 1.00000E+00 volume 1.74637E+05 ppm1 2.639 ppm2 8.717
ASSI { 352}
(( segid " A" and resid 87 and name HN ))
(( segid " A" and resid 85 and name HB2 ))
3.635 1.818 1.818 peak 352 weight 1.00000E+00 volume 3.96684E+05 ppm1 2.628 ppm2 8.108
ASSI { 354}
(( segid " A" and resid 85 and name HB2 ))
(( segid " A" and resid 85 and name HB1 ))
2.469 0.749 1.234 peak 354 weight 1.00000E+00 volume 4.04411E+06 ppm1 2.637 ppm2 2.781
ASSI { 355}
(( segid " A" and resid 85 and name HB2 ))
(( segid " A" and resid 85 and name HB1 ))
2.387 0.667 1.194 peak 355 weight 1.00000E+00 volume 2.60048E+05 ppm1 2.776 ppm2 2.640
ASSI { 356}
(( segid " A" and resid 86 and name HA ))
(( segid " A" and resid 85 and name HB1 ))
3.064 1.344 1.532 peak 356 weight 1.00000E+00 volume 4.32074E+04 ppm1 4.188 ppm2 2.830
ASSI { 362}
(( segid " A" and resid 87 and name HN ))
(( segid " A" and resid 87 and name HB2 ))
3.875 1.937 1.937 peak 362 weight 1.00000E+00 volume 2.30234E+04 ppm1 3.669 ppm2 8.084
ASSI { 366}
(( segid " A" and resid 88 and name HB2 ))
(( segid " A" and resid 88 and name HB1 ))
2.621 0.901 1.310 peak 366 weight 1.00000E+00 volume 1.12537E+05 ppm1 3.462 ppm2 3.359
ASSI { 367}
(( segid " A" and resid 88 and name HA ))
(( segid " A" and resid 88 and name HB2 ))
3.392 1.672 1.696 peak 367 weight 1.00000E+00 volume 6.00552E+05 ppm1 3.461 ppm2 4.436
ASSI { 368}
(( segid " A" and resid 88 and name HA ))
(( segid " A" and resid 88 and name HB1 ))
3.474 1.737 1.737 peak 368 weight 1.00000E+00 volume 5.20933E+05 ppm1 3.340 ppm2 4.428
ASSI { 371}
(( segid " A" and resid 88 and name HB2 ))
( segid " A" and resid 88 and name HD# )
3.520 1.760 1.760 peak 371 weight 1.00000E+00 volume 4.81423E+05 ppm1 3.457 ppm2 7.198
ASSI { 372}
(( segid " A" and resid 88 and name HB1 ))
( segid " A" and resid 88 and name HD# )
3.585 1.793 1.793 peak 372 weight 1.00000E+00 volume 4.30928E+05 ppm1 3.359 ppm2 7.206
ASSI { 373}
(( segid " A" and resid 91 and name HN ))
(( segid " A" and resid 90 and name HA ))
3.298 1.578 1.649 peak 373 weight 1.00000E+00 volume 7.11608E+05 ppm1 5.423 ppm2 8.945
ASSI { 375}
(( segid " A" and resid 92 and name HN ))
(( segid " A" and resid 91 and name HA ))
3.056 1.336 1.528 peak 375 weight 1.00000E+00 volume 7.53686E+04 ppm1 4.571 ppm2 8.260
ASSI { 376}
(( segid " A" and resid 91 and name HN ))
(( segid " A" and resid 91 and name HA ))
3.101 1.381 1.550 peak 376 weight 1.00000E+00 volume 5.02452E+04 ppm1 4.565 ppm2 8.937
ASSI { 377}
(( segid " A" and resid 91 and name HA ))
(( segid " A" and resid 91 and name HB ))
3.200 1.480 1.600 peak 377 weight 1.00000E+00 volume 4.35411E+04 ppm1 4.575 ppm2 3.760
ASSI { 379}
(( segid " A" and resid 91 and name HA ))
( segid " A" and resid 91 and name HG2#)
2.958 1.238 1.479 peak 379 weight 1.00000E+00 volume 7.56960E+04 ppm1 4.570 ppm2 0.969
ASSI { 381}
( segid " A" and resid 91 and name HG2#)
(( segid " A" and resid 91 and name HB ))
2.603 0.883 1.301 peak 381 weight 1.00000E+00 volume 1.29758E+05 ppm1 3.763 ppm2 0.975
ASSI { 383}
(( segid " A" and resid 91 and name HA ))
(( segid " A" and resid 91 and name HB ))
2.906 1.186 1.453 peak 383 weight 1.00000E+00 volume 6.19940E+04 ppm1 3.762 ppm2 4.571
ASSI { 384}
(( segid " A" and resid 91 and name HB ))
(( segid " A" and resid 90 and name HA ))
3.898 1.949 1.949 peak 384 weight 1.00000E+00 volume 2.61123E+05 ppm1 3.758 ppm2 5.454
ASSI { 385}
(( segid " A" and resid 91 and name HN ))
(( segid " A" and resid 91 and name HB ))
2.973 1.253 1.487 peak 385 weight 1.00000E+00 volume 1.32478E+06 ppm1 3.763 ppm2 8.938
ASSI { 387}
(( segid " A" and resid 93 and name HN ))
(( segid " A" and resid 92 and name HA ))
3.012 1.292 1.506 peak 387 weight 1.00000E+00 volume 1.22618E+06 ppm1 5.582 ppm2 9.272
ASSI { 389}
(( segid " A" and resid 92 and name HA ))
( segid " A" and resid 82 and name HD# )
3.951 1.975 1.975 peak 389 weight 1.00000E+00 volume 2.40819E+05 ppm1 5.585 ppm2 6.996
ASSI { 390}
(( segid " A" and resid 92 and name HG2 ))
(( segid " A" and resid 92 and name HA ))
3.431 1.711 1.715 peak 390 weight 1.00000E+00 volume 4.47978E+04 ppm1 5.589 ppm2 2.144
ASSI { 392}
(( segid " A" and resid 92 and name HA ))
( segid " A" and resid 81 and name HG1#)
3.183 1.463 1.592 peak 392 weight 1.00000E+00 volume 8.79766E+05 ppm1 5.588 ppm2 0.718
ASSI { 393}
(( segid " A" and resid 94 and name HN ))
(( segid " A" and resid 93 and name HA ))
3.301 1.581 1.650 peak 393 weight 1.00000E+00 volume 7.08022E+05 ppm1 4.847 ppm2 8.487
ASSI { 394}
(( segid " A" and resid 98 and name HN ))
(( segid " A" and resid 98 and name HA ))
3.590 1.795 1.795 peak 394 weight 1.00000E+00 volume 2.81712E+04 ppm1 4.844 ppm2 7.415
ASSI { 396}
(( segid " A" and resid 93 and name HA ))
(( segid " A" and resid 93 and name HB2 ))
2.991 1.271 1.496 peak 396 weight 1.00000E+00 volume 1.02135E+05 ppm1 4.845 ppm2 1.552
ASSI { 397}
(( segid " A" and resid 93 and name HA ))
( segid " A" and resid 93 and name HD1#)
2.969 1.249 1.485 peak 397 weight 1.00000E+00 volume 9.99671E+04 ppm1 4.849 ppm2 0.557
ASSI { 398}
(( segid " A" and resid 93 and name HB2 ))
( segid " A" and resid 93 and name HD1#)
3.144 1.424 1.572 peak 398 weight 1.00000E+00 volume 5.45254E+04 ppm1 1.561 ppm2 0.539
ASSI { 399}
(( segid " A" and resid 93 and name HB1 ))
( segid " A" and resid 93 and name HD1#)
3.098 1.378 1.549 peak 399 weight 1.00000E+00 volume 6.09212E+04 ppm1 1.679 ppm2 0.548
ASSI { 400}
(( segid " A" and resid 93 and name HB2 ))
(( segid " A" and resid 93 and name HB1 ))
2.747 1.027 1.373 peak 400 weight 1.00000E+00 volume 1.01313E+05 ppm1 1.564 ppm2 1.687
ASSI { 403}
(( segid " A" and resid 94 and name HB2 ))
(( segid " A" and resid 94 and name HA ))
3.207 1.487 1.603 peak 403 weight 1.00000E+00 volume 5.76585E+04 ppm1 5.265 ppm2 4.034
ASSI { 404}
(( segid " A" and resid 95 and name HN ))
(( segid " A" and resid 94 and name HA ))
3.370 1.650 1.685 peak 404 weight 1.00000E+00 volume 4.37638E+04 ppm1 5.260 ppm2 8.756
ASSI { 406}
(( segid " A" and resid 94 and name HB2 ))
(( segid " A" and resid 94 and name HN ))
3.369 1.649 1.684 peak 406 weight 1.00000E+00 volume 3.64519E+04 ppm1 4.038 ppm2 8.503
ASSI { 407}
(( segid " A" and resid 95 and name HN ))
(( segid " A" and resid 94 and name HB2 ))
3.280 1.560 1.640 peak 407 weight 1.00000E+00 volume 2.58194E+04 ppm1 4.039 ppm2 8.765
ASSI { 408}
(( segid " A" and resid 94 and name HB2 ))
(( segid " A" and resid 94 and name HA ))
3.035 1.315 1.518 peak 408 weight 1.00000E+00 volume 1.17088E+06 ppm1 4.033 ppm2 5.254
ASSI { 413}
(( segid " A" and resid 96 and name HA ))
(( segid " A" and resid 96 and name HB2 ))
2.844 1.124 1.422 peak 413 weight 1.00000E+00 volume 1.73153E+06 ppm1 2.456 ppm2 4.306
ASSI { 414}
(( segid " A" and resid 97 and name HN ))
(( segid " A" and resid 96 and name HB2 ))
3.629 1.814 1.814 peak 414 weight 1.00000E+00 volume 2.94589E+04 ppm1 2.457 ppm2 7.874
ASSI { 419}
(( segid " A" and resid 97 and name HN ))
(( segid " A" and resid 97 and name HA ))
3.207 1.487 1.603 peak 419 weight 1.00000E+00 volume 5.81930E+04 ppm1 4.277 ppm2 7.877
ASSI { 420}
(( segid " A" and resid 98 and name HN ))
(( segid " A" and resid 97 and name HA ))
4.153 2.076 2.076 peak 420 weight 1.00000E+00 volume 3.01565E+04 ppm1 4.282 ppm2 7.455
ASSI { 422}
(( segid " A" and resid 97 and name HB2 ))
(( segid " A" and resid 97 and name HA ))
3.057 1.337 1.529 peak 422 weight 1.00000E+00 volume 8.80106E+04 ppm1 4.283 ppm2 3.135
ASSI { 428}
(( segid " A" and resid 99 and name HN ))
(( segid " A" and resid 99 and name HA ))
2.985 1.265 1.493 peak 428 weight 1.00000E+00 volume 1.05122E+05 ppm1 3.849 ppm2 7.218
ASSI { 430}
(( segid " A" and resid 99 and name HA ))
(( segid " A" and resid 99 and name HG2 ))
2.956 1.236 1.478 peak 430 weight 1.00000E+00 volume 9.12609E+04 ppm1 3.847 ppm2 1.441
ASSI { 431}
( segid " A" and resid 102 and name HD1#)
(( segid " A" and resid 99 and name HA ))
3.062 1.342 1.531 peak 431 weight 1.00000E+00 volume 7.42651E+04 ppm1 3.850 ppm2 0.694
ASSI { 433}
(( segid " A" and resid 99 and name HA ))
(( segid " A" and resid 99 and name HB2 ))
2.926 1.206 1.463 peak 433 weight 1.00000E+00 volume 1.06636E+05 ppm1 1.789 ppm2 3.856
ASSI { 434}
(( segid " A" and resid 99 and name HN ))
(( segid " A" and resid 99 and name HB2 ))
3.097 1.377 1.548 peak 434 weight 1.00000E+00 volume 1.17270E+05 ppm1 1.788 ppm2 7.221
ASSI { 435}
(( segid " A" and resid 101 and name HN ))
(( segid " A" and resid 100 and name HA ))
3.741 1.870 1.870 peak 435 weight 1.00000E+00 volume 2.85716E+04 ppm1 4.000 ppm2 8.914
ASSI { 439}
(( segid " A" and resid 100 and name HA ))
(( segid " A" and resid 100 and name HB2 ))
2.848 1.128 1.424 peak 439 weight 1.00000E+00 volume 1.19099E+05 ppm1 4.004 ppm2 1.930
ASSI { 442}
(( segid " A" and resid 101 and name HA ))
(( segid " A" and resid 101 and name HN ))
3.519 1.760 1.760 peak 442 weight 1.00000E+00 volume 2.75145E+04 ppm1 3.963 ppm2 8.914
ASSI { 446}
( segid " A" and resid 105 and name HD1#)
(( segid " A" and resid 102 and name HA ))
2.818 1.098 1.409 peak 446 weight 1.00000E+00 volume 1.82974E+06 ppm1 3.814 ppm2 0.399
ASSI { 447}
(( segid " A" and resid 102 and name HA ))
( segid " A" and resid 102 and name HD1#)
3.294 1.574 1.647 peak 447 weight 1.00000E+00 volume 7.16096E+05 ppm1 3.818 ppm2 0.698
ASSI { 449}
(( segid " A" and resid 105 and name HB2 ))
(( segid " A" and resid 102 and name HA ))
3.614 1.807 1.807 peak 449 weight 1.00000E+00 volume 2.13136E+04 ppm1 3.814 ppm2 1.216
ASSI { 453}
(( segid " A" and resid 102 and name HA ))
(( segid " A" and resid 102 and name HN ))
3.547 1.773 1.773 peak 453 weight 1.00000E+00 volume 4.59968E+05 ppm1 3.817 ppm2 7.935
ASSI { 458}
(( segid " A" and resid 103 and name HN ))
(( segid " A" and resid 103 and name HA ))
3.403 1.683 1.701 peak 458 weight 1.00000E+00 volume 5.89992E+05 ppm1 4.021 ppm2 7.316
ASSI { 462}
(( segid " A" and resid 105 and name HN ))
(( segid " A" and resid 105 and name HB2 ))
3.223 1.503 1.612 peak 462 weight 1.00000E+00 volume 8.16372E+05 ppm1 1.221 ppm2 6.719
ASSI { 463}
(( segid " A" and resid 106 and name HN ))
(( segid " A" and resid 105 and name HB2 ))
3.801 1.900 1.900 peak 463 weight 1.00000E+00 volume 2.46991E+04 ppm1 1.223 ppm2 7.143
ASSI { 464}
(( segid " A" and resid 105 and name HB2 ))
(( segid " A" and resid 103 and name HN ))
3.741 1.871 1.871 peak 464 weight 1.00000E+00 volume 2.78029E+04 ppm1 1.219 ppm2 7.351
ASSI { 465}
(( segid " A" and resid 105 and name HA ))
(( segid " A" and resid 105 and name HB2 ))
3.507 1.753 1.753 peak 465 weight 1.00000E+00 volume 3.62071E+04 ppm1 1.225 ppm2 4.244
ASSI { 466}
(( segid " A" and resid 105 and name HB2 ))
(( segid " A" and resid 102 and name HA ))
3.712 1.856 1.856 peak 466 weight 1.00000E+00 volume 3.50075E+05 ppm1 1.226 ppm2 3.810
ASSI { 468}
( segid " A" and resid 105 and name HD1#)
(( segid " A" and resid 105 and name HB2 ))
2.796 1.076 1.398 peak 468 weight 1.00000E+00 volume 1.91680E+06 ppm1 1.222 ppm2 0.421
ASSI { 472}
( segid " A" and resid 105 and name HD1#)
(( segid " A" and resid 105 and name HN ))
2.925 1.205 1.463 peak 472 weight 1.00000E+00 volume 1.22440E+05 ppm1 0.398 ppm2 6.690
ASSI { 476}
(( segid " A" and resid 105 and name HA ))
( segid " A" and resid 105 and name HD1#)
2.679 0.959 1.339 peak 476 weight 1.00000E+00 volume 2.47838E+06 ppm1 0.387 ppm2 4.243
ASSI { 478}
(( segid " A" and resid 107 and name HN ))
(( segid " A" and resid 106 and name HA ))
3.073 1.353 1.537 peak 478 weight 1.00000E+00 volume 1.08681E+06 ppm1 4.649 ppm2 9.091
ASSI { 482}
(( segid " A" and resid 107 and name HA ))
(( segid " A" and resid 107 and name HB2 ))
2.907 1.187 1.454 peak 482 weight 1.00000E+00 volume 1.51613E+06 ppm1 3.538 ppm2 1.887
ASSI { 485}
(( segid " A" and resid 109 and name HN ))
(( segid " A" and resid 107 and name HA ))
3.895 1.948 1.948 peak 485 weight 1.00000E+00 volume 2.52156E+04 ppm1 3.545 ppm2 8.116
ASSI { 486}
(( segid " A" and resid 108 and name HN ))
(( segid " A" and resid 107 and name HA ))
3.001 1.281 1.500 peak 486 weight 1.00000E+00 volume 9.08430E+04 ppm1 3.545 ppm2 9.109
ASSI { 488}
(( segid " A" and resid 109 and name HN ))
(( segid " A" and resid 108 and name HA2 ))
3.609 1.804 1.804 peak 488 weight 1.00000E+00 volume 2.52468E+04 ppm1 3.753 ppm2 8.109
ASSI { 489}
(( segid " A" and resid 108 and name HN ))
(( segid " A" and resid 108 and name HA2 ))
3.292 1.572 1.646 peak 489 weight 1.00000E+00 volume 7.19228E+05 ppm1 3.753 ppm2 9.107
ASSI { 490}
(( segid " A" and resid 108 and name HN ))
(( segid " A" and resid 108 and name HA2 ))
3.483 1.741 1.741 peak 490 weight 1.00000E+00 volume 5.13179E+05 ppm1 4.407 ppm2 9.113
ASSI { 494}
(( segid " A" and resid 110 and name HN ))
(( segid " A" and resid 109 and name HG2 ))
3.022 1.302 1.511 peak 494 weight 1.00000E+00 volume 1.20097E+06 ppm1 2.639 ppm2 8.531
ASSI { 495}
(( segid " A" and resid 109 and name HG2 ))
(( segid " A" and resid 109 and name HN ))
3.227 1.507 1.613 peak 495 weight 1.00000E+00 volume 8.11075E+05 ppm1 2.644 ppm2 8.108
ASSI { 496}
(( segid " A" and resid 109 and name HA ))
(( segid " A" and resid 109 and name HG2 ))
2.875 1.155 1.438 peak 496 weight 1.00000E+00 volume 1.62101E+06 ppm1 2.640 ppm2 4.291
ASSI { 499}
(( segid " A" and resid 111 and name HN ))
(( segid " A" and resid 110 and name HA ))
2.831 1.111 1.416 peak 499 weight 1.00000E+00 volume 9.14080E+04 ppm1 5.086 ppm2 9.072
ASSI { 501}
(( segid " A" and resid 110 and name HA ))
(( segid " A" and resid 110 and name HB2 ))
2.765 1.045 1.382 peak 501 weight 1.00000E+00 volume 1.07984E+05 ppm1 5.098 ppm2 2.029
ASSI { 504}
(( segid " A" and resid 112 and name HN ))
(( segid " A" and resid 111 and name HA ))
3.161 1.441 1.580 peak 504 weight 1.00000E+00 volume 9.18235E+05 ppm1 4.768 ppm2 8.060
ASSI { 506}
(( segid " A" and resid 111 and name HA ))
(( segid " A" and resid 110 and name HB2 ))
2.986 1.266 1.493 peak 506 weight 1.00000E+00 volume 1.29125E+06 ppm1 4.766 ppm2 2.013
ASSI { 508}
(( segid " A" and resid 112 and name HN ))
(( segid " A" and resid 111 and name HB ))
2.801 1.081 1.400 peak 508 weight 1.00000E+00 volume 1.89770E+06 ppm1 2.032 ppm2 8.060
ASSI { 509}
(( segid " A" and resid 124 and name HN ))
(( segid " A" and resid 111 and name HB ))
3.492 1.746 1.746 peak 509 weight 1.00000E+00 volume 3.33686E+04 ppm1 2.037 ppm2 9.195
ASSI { 510}
(( segid " A" and resid 111 and name HN ))
(( segid " A" and resid 111 and name HB ))
3.260 1.540 1.630 peak 510 weight 1.00000E+00 volume 3.55659E+04 ppm1 2.034 ppm2 9.070
ASSI { 511}
(( segid " A" and resid 113 and name HN ))
(( segid " A" and resid 112 and name HA ))
3.089 1.369 1.545 peak 511 weight 1.00000E+00 volume 3.89664E+04 ppm1 5.087 ppm2 9.078
ASSI { 513}
(( segid " A" and resid 114 and name HN ))
(( segid " A" and resid 113 and name HA ))
3.474 1.737 1.737 peak 513 weight 1.00000E+00 volume 2.93834E+04 ppm1 4.438 ppm2 8.496
ASSI { 521}
(( segid " A" and resid 115 and name HN ))
(( segid " A" and resid 114 and name HA ))
2.737 1.017 1.368 peak 521 weight 1.00000E+00 volume 1.41180E+05 ppm1 5.224 ppm2 8.935
ASSI { 524}
(( segid " A" and resid 116 and name HN ))
(( segid " A" and resid 115 and name HA ))
3.023 1.303 1.511 peak 524 weight 1.00000E+00 volume 5.95490E+04 ppm1 5.341 ppm2 8.871
ASSI { 525}
(( segid " A" and resid 115 and name HA ))
(( segid " A" and resid 120 and name HA ))
3.371 1.651 1.685 peak 525 weight 1.00000E+00 volume 3.25970E+04 ppm1 5.346 ppm2 4.159
ASSI { 526}
(( segid " A" and resid 115 and name HA ))
(( segid " A" and resid 115 and name HB ))
3.285 1.565 1.642 peak 526 weight 1.00000E+00 volume 7.28747E+05 ppm1 5.343 ppm2 3.708
ASSI { 527}
(( segid " A" and resid 115 and name HA ))
( segid " A" and resid 115 and name HG2#)
2.981 1.261 1.491 peak 527 weight 1.00000E+00 volume 6.35792E+04 ppm1 5.338 ppm2 0.903
ASSI { 531}
(( segid " A" and resid 115 and name HB ))
(( segid " A" and resid 120 and name HA ))
3.865 1.932 1.932 peak 531 weight 1.00000E+00 volume 2.74676E+05 ppm1 3.699 ppm2 4.138
ASSI { 532}
(( segid " A" and resid 115 and name HA ))
(( segid " A" and resid 115 and name HB ))
3.093 1.373 1.546 peak 532 weight 1.00000E+00 volume 8.42101E+04 ppm1 3.706 ppm2 5.335
ASSI { 533}
(( segid " A" and resid 116 and name HN ))
(( segid " A" and resid 115 and name HB ))
3.059 1.339 1.530 peak 533 weight 1.00000E+00 volume 7.77084E+04 ppm1 3.700 ppm2 8.861
ASSI { 535}
(( segid " A" and resid 116 and name HN ))
(( segid " A" and resid 116 and name HA ))
3.181 1.461 1.591 peak 535 weight 1.00000E+00 volume 5.69986E+04 ppm1 4.884 ppm2 8.863
ASSI { 544}
(( segid " A" and resid 119 and name HA ))
(( segid " A" and resid 120 and name HN ))
3.607 1.804 1.804 peak 544 weight 1.00000E+00 volume 4.13391E+04 ppm1 4.567 ppm2 8.765
ASSI { 545}
(( segid " A" and resid 119 and name HN ))
(( segid " A" and resid 119 and name HA ))
3.188 1.468 1.594 peak 545 weight 1.00000E+00 volume 8.71372E+05 ppm1 4.566 ppm2 7.962
ASSI { 548}
(( segid " A" and resid 119 and name HN ))
(( segid " A" and resid 119 and name HB1 ))
3.239 1.519 1.620 peak 548 weight 1.00000E+00 volume 7.92437E+05 ppm1 2.125 ppm2 7.959
ASSI { 549}
(( segid " A" and resid 119 and name HN ))
(( segid " A" and resid 119 and name HB2 ))
3.120 1.400 1.560 peak 549 weight 1.00000E+00 volume 9.92985E+05 ppm1 1.976 ppm2 7.966
ASSI { 551}
( segid " A" and resid 121 and name HG2#)
(( segid " A" and resid 120 and name HA ))
2.838 1.118 1.419 peak 551 weight 1.00000E+00 volume 1.75134E+06 ppm1 4.162 ppm2 0.949
ASSI { 552}
(( segid " A" and resid 115 and name HA ))
(( segid " A" and resid 120 and name HA ))
3.337 1.617 1.668 peak 552 weight 1.00000E+00 volume 6.63571E+05 ppm1 4.162 ppm2 5.330
ASSI { 553}
(( segid " A" and resid 122 and name HN ))
(( segid " A" and resid 120 and name HA ))
3.590 1.795 1.795 peak 553 weight 1.00000E+00 volume 4.27947E+05 ppm1 4.160 ppm2 7.409
ASSI { 554}
(( segid " A" and resid 121 and name HN ))
(( segid " A" and resid 120 and name HA ))
3.124 1.404 1.562 peak 554 weight 1.00000E+00 volume 6.51466E+04 ppm1 4.162 ppm2 8.971
ASSI { 557}
(( segid " A" and resid 121 and name HB ))
(( segid " A" and resid 121 and name HA ))
2.817 1.097 1.408 peak 557 weight 1.00000E+00 volume 1.83248E+06 ppm1 1.916 ppm2 4.589
ASSI { 560}
(( segid " A" and resid 121 and name HN ))
(( segid " A" and resid 121 and name HB ))
3.460 1.730 1.730 peak 560 weight 1.00000E+00 volume 3.48714E+04 ppm1 1.916 ppm2 8.973
ASSI { 564}
(( segid " A" and resid 123 and name HN ))
(( segid " A" and resid 122 and name HA1 ))
3.193 1.473 1.596 peak 564 weight 1.00000E+00 volume 6.58809E+04 ppm1 4.093 ppm2 8.328
ASSI { 565}
(( segid " A" and resid 123 and name HN ))
(( segid " A" and resid 122 and name HA2 ))
3.255 1.535 1.627 peak 565 weight 1.00000E+00 volume 7.44640E+04 ppm1 4.170 ppm2 8.324
ASSI { 566}
(( segid " A" and resid 122 and name HN ))
(( segid " A" and resid 122 and name HA2 ))
3.543 1.771 1.771 peak 566 weight 1.00000E+00 volume 4.62980E+05 ppm1 4.172 ppm2 7.418
ASSI { 567}
(( segid " A" and resid 122 and name HN ))
(( segid " A" and resid 122 and name HA1 ))
3.773 1.887 1.887 peak 567 weight 1.00000E+00 volume 3.17189E+05 ppm1 4.086 ppm2 7.408
ASSI { 573}
(( segid " A" and resid 125 and name HN ))
(( segid " A" and resid 124 and name HA ))
3.321 1.601 1.660 peak 573 weight 1.00000E+00 volume 6.82826E+05 ppm1 4.585 ppm2 8.811
ASSI { 579}
(( segid " A" and resid 125 and name HN ))
(( segid " A" and resid 125 and name HB2 ))
3.621 1.811 1.811 peak 579 weight 1.00000E+00 volume 4.05980E+05 ppm1 1.585 ppm2 8.833
ASSI { 585}
(( segid " A" and resid 127 and name HN ))
(( segid " A" and resid 126 and name HA ))
3.185 1.465 1.593 peak 585 weight 1.00000E+00 volume 8.76431E+05 ppm1 4.507 ppm2 8.624
ASSI { 587}
(( segid " A" and resid 127 and name HA ))
(( segid " A" and resid 127 and name HB2 ))
2.803 1.083 1.401 peak 587 weight 1.00000E+00 volume 1.88938E+06 ppm1 3.776 ppm2 1.853
ASSI { 594}
(( segid " A" and resid 128 and name HN ))
(( segid " A" and resid 127 and name HA ))
3.622 1.811 1.811 peak 594 weight 1.00000E+00 volume 2.31575E+04 ppm1 3.772 ppm2 7.419
ASSI { 598}
(( segid " A" and resid 176 and name HN ))
(( segid " A" and resid 128 and name HA ))
3.832 1.916 1.916 peak 598 weight 1.00000E+00 volume 2.26422E+04 ppm1 5.434 ppm2 8.265
ASSI { 599}
(( segid " A" and resid 129 and name HN ))
(( segid " A" and resid 128 and name HA ))
3.055 1.335 1.527 peak 599 weight 1.00000E+00 volume 1.12659E+06 ppm1 5.434 ppm2 8.543
ASSI { 601}
(( segid " A" and resid 128 and name HB ))
(( segid " A" and resid 128 and name HA ))
3.194 1.474 1.597 peak 601 weight 1.00000E+00 volume 8.61825E+05 ppm1 5.432 ppm2 3.952
ASSI { 602}
(( segid " A" and resid 128 and name HA ))
( segid " A" and resid 128 and name HG2#)
2.998 1.278 1.499 peak 602 weight 1.00000E+00 volume 1.26068E+06 ppm1 5.436 ppm2 0.954
ASSI { 605}
(( segid " A" and resid 128 and name HB ))
( segid " A" and resid 128 and name HG2#)
2.949 1.229 1.474 peak 605 weight 1.00000E+00 volume 8.41892E+04 ppm1 3.955 ppm2 0.962
ASSI { 607}
(( segid " A" and resid 128 and name HB ))
(( segid " A" and resid 128 and name HA ))
3.238 1.518 1.619 peak 607 weight 1.00000E+00 volume 4.37202E+04 ppm1 3.959 ppm2 5.430
ASSI { 608}
(( segid " A" and resid 129 and name HN ))
(( segid " A" and resid 128 and name HB ))
3.473 1.736 1.736 peak 608 weight 1.00000E+00 volume 3.46194E+04 ppm1 3.959 ppm2 8.536
ASSI { 613}
(( segid " A" and resid 130 and name HN ))
(( segid " A" and resid 129 and name HA ))
2.903 1.183 1.452 peak 613 weight 1.00000E+00 volume 1.09828E+05 ppm1 4.626 ppm2 8.037
ASSI { 615}
(( segid " A" and resid 129 and name HA ))
(( segid " A" and resid 129 and name HB ))
2.775 1.055 1.388 peak 615 weight 1.00000E+00 volume 1.63776E+05 ppm1 4.621 ppm2 1.977
ASSI { 616}
( segid " A" and resid 129 and name HG1#)
(( segid " A" and resid 129 and name HA ))
2.852 1.132 1.426 peak 616 weight 1.00000E+00 volume 1.25232E+05 ppm1 4.626 ppm2 0.884
ASSI { 618}
(( segid " A" and resid 130 and name HN ))
(( segid " A" and resid 129 and name HB ))
3.147 1.427 1.574 peak 618 weight 1.00000E+00 volume 6.44511E+04 ppm1 1.999 ppm2 8.035
ASSI { 624}
(( segid " A" and resid 131 and name HA ))
(( segid " A" and resid 131 and name HB2 ))
3.362 1.642 1.681 peak 624 weight 1.00000E+00 volume 6.33928E+05 ppm1 5.155 ppm2 1.734
ASSI { 626}
(( segid " A" and resid 132 and name HN ))
(( segid " A" and resid 131 and name HA ))
3.647 1.824 1.824 peak 626 weight 1.00000E+00 volume 3.88969E+05 ppm1 5.158 ppm2 9.733
ASSI { 628}
(( segid " A" and resid 133 and name HN ))
(( segid " A" and resid 132 and name HA ))
3.239 1.519 1.619 peak 628 weight 1.00000E+00 volume 7.93356E+05 ppm1 4.785 ppm2 9.190
ASSI { 629}
(( segid " A" and resid 172 and name HN ))
(( segid " A" and resid 132 and name HA ))
3.403 1.683 1.702 peak 629 weight 1.00000E+00 volume 5.89499E+05 ppm1 4.791 ppm2 9.287
ASSI { 630}
( segid " A" and resid 132 and name HG2#)
(( segid " A" and resid 132 and name HA ))
2.994 1.274 1.497 peak 630 weight 1.00000E+00 volume 1.27010E+06 ppm1 4.788 ppm2 1.088
ASSI { 653}
(( segid " A" and resid 153 and name HN ))
(( segid " A" and resid 136 and name HB ))
3.880 1.940 1.940 peak 653 weight 1.00000E+00 volume 2.68512E+05 ppm1 4.322 ppm2 9.139
ASSI { 654}
(( segid " A" and resid 152 and name HA ))
(( segid " A" and resid 136 and name HB ))
3.548 1.774 1.774 peak 654 weight 1.00000E+00 volume 4.58579E+05 ppm1 4.323 ppm2 4.928
ASSI { 660}
(( segid " A" and resid 149 and name HN ))
(( segid " A" and resid 148 and name HA ))
3.017 1.297 1.509 peak 660 weight 1.00000E+00 volume 1.16311E+05 ppm1 4.405 ppm2 7.889
ASSI { 664}
(( segid " A" and resid 148 and name HA ))
( segid " A" and resid 148 and name HB# )
2.267 0.547 1.134 peak 664 weight 1.00000E+00 volume 5.47066E+05 ppm1 4.403 ppm2 1.419
ASSI { 666}
(( segid " A" and resid 149 and name HN ))
( segid " A" and resid 148 and name HB# )
3.140 1.420 1.570 peak 666 weight 1.00000E+00 volume 1.05611E+05 ppm1 1.403 ppm2 7.882
ASSI { 670}
(( segid " A" and resid 150 and name HN ))
(( segid " A" and resid 149 and name HA ))
3.215 1.495 1.608 peak 670 weight 1.00000E+00 volume 5.75201E+04 ppm1 4.787 ppm2 9.085
ASSI { 673}
(( segid " A" and resid 149 and name HA ))
( segid " A" and resid 149 and name HG2#)
2.625 0.905 1.313 peak 673 weight 1.00000E+00 volume 1.64844E+05 ppm1 4.788 ppm2 0.834
ASSI { 674}
( segid " A" and resid 164 and name HD1#)
(( segid " A" and resid 149 and name HA ))
2.966 1.246 1.483 peak 674 weight 1.00000E+00 volume 1.34444E+06 ppm1 4.782 ppm2 0.627
ASSI { 675}
(( segid " A" and resid 149 and name HB ))
( segid " A" and resid 149 and name HG2#)
2.846 1.126 1.423 peak 675 weight 1.00000E+00 volume 1.22977E+05 ppm1 3.930 ppm2 0.822
ASSI { 677}
(( segid " A" and resid 150 and name HN ))
(( segid " A" and resid 149 and name HB ))
3.274 1.554 1.637 peak 677 weight 1.00000E+00 volume 7.44019E+05 ppm1 3.927 ppm2 9.085
ASSI { 678}
(( segid " A" and resid 162 and name HN ))
(( segid " A" and resid 149 and name HB ))
3.838 1.919 1.919 peak 678 weight 1.00000E+00 volume 2.86591E+05 ppm1 3.921 ppm2 9.278
ASSI { 679}
(( segid " A" and resid 152 and name HN ))
(( segid " A" and resid 151 and name HB2 ))
2.981 1.261 1.491 peak 679 weight 1.00000E+00 volume 1.30437E+06 ppm1 3.606 ppm2 9.191
ASSI { 680}
(( segid " A" and resid 151 and name HB2 ))
(( segid " A" and resid 151 and name HN ))
2.864 1.144 1.432 peak 680 weight 1.00000E+00 volume 1.65979E+06 ppm1 3.604 ppm2 8.530
ASSI { 683}
(( segid " A" and resid 152 and name HA ))
( segid " A" and resid 152 and name HB# )
3.269 1.549 1.635 peak 683 weight 1.00000E+00 volume 7.49623E+05 ppm1 4.925 ppm2 1.221
ASSI { 685}
(( segid " A" and resid 153 and name HN ))
(( segid " A" and resid 152 and name HA ))
3.433 1.713 1.717 peak 685 weight 1.00000E+00 volume 5.59085E+05 ppm1 4.927 ppm2 9.126
ASSI { 687}
( segid " A" and resid 160 and name HD1#)
( segid " A" and resid 152 and name HB# )
2.418 0.698 1.209 peak 687 weight 1.00000E+00 volume 4.58068E+06 ppm1 1.226 ppm2 0.739
ASSI { 688}
( segid " A" and resid 162 and name HG1#)
( segid " A" and resid 152 and name HB# )
2.890 1.170 1.445 peak 688 weight 1.00000E+00 volume 1.57061E+06 ppm1 1.222 ppm2 0.537
ASSI { 691}
(( segid " A" and resid 154 and name HN ))
(( segid " A" and resid 153 and name HA ))
3.418 1.698 1.709 peak 691 weight 1.00000E+00 volume 5.74081E+05 ppm1 5.115 ppm2 8.762
ASSI { 693}
(( segid " A" and resid 155 and name HN ))
(( segid " A" and resid 154 and name HA ))
3.337 1.617 1.669 peak 693 weight 1.00000E+00 volume 6.62638E+05 ppm1 4.252 ppm2 8.415
ASSI { 699}
(( segid " A" and resid 155 and name HG2 ))
(( segid " A" and resid 155 and name HA ))
2.883 1.163 1.442 peak 699 weight 1.00000E+00 volume 1.59417E+06 ppm1 4.274 ppm2 2.451
ASSI { 702}
(( segid " A" and resid 156 and name HN ))
(( segid " A" and resid 156 and name HA ))
3.394 1.674 1.697 peak 702 weight 1.00000E+00 volume 5.98534E+05 ppm1 4.473 ppm2 6.734
ASSI { 724}
(( segid " A" and resid 159 and name HA ))
(( segid " A" and resid 159 and name HB ))
3.542 1.771 1.771 peak 724 weight 1.00000E+00 volume 1.78938E+04 ppm1 3.642 ppm2 5.217
ASSI { 725}
(( segid " A" and resid 159 and name HN ))
(( segid " A" and resid 159 and name HB ))
3.070 1.350 1.535 peak 725 weight 1.00000E+00 volume 4.55259E+04 ppm1 3.642 ppm2 7.257
ASSI { 729}
(( segid " A" and resid 162 and name HN ))
(( segid " A" and resid 161 and name HA ))
2.988 1.268 1.494 peak 729 weight 1.00000E+00 volume 8.33305E+04 ppm1 5.313 ppm2 9.278
ASSI { 730}
(( segid " A" and resid 161 and name HA ))
(( segid " A" and resid 151 and name HA ))
3.046 1.326 1.523 peak 730 weight 1.00000E+00 volume 5.21594E+04 ppm1 5.313 ppm2 4.685
ASSI { 737}
(( segid " A" and resid 164 and name HN ))
(( segid " A" and resid 163 and name HA ))
3.202 1.482 1.601 peak 737 weight 1.00000E+00 volume 3.89388E+04 ppm1 4.278 ppm2 7.815
ASSI { 742}
(( segid " A" and resid 164 and name HA ))
( segid " A" and resid 164 and name HD2#)
3.234 1.514 1.617 peak 742 weight 1.00000E+00 volume 8.00077E+05 ppm1 3.527 ppm2 0.844
ASSI { 743}
(( segid " A" and resid 164 and name HA ))
( segid " A" and resid 164 and name HD1#)
3.238 1.518 1.619 peak 743 weight 1.00000E+00 volume 7.94386E+05 ppm1 3.523 ppm2 0.627
ASSI { 748}
(( segid " A" and resid 165 and name HA ))
(( segid " A" and resid 165 and name HB2 ))
3.268 1.548 1.634 peak 748 weight 1.00000E+00 volume 7.51635E+05 ppm1 3.480 ppm2 4.498
ASSI { 749}
(( segid " A" and resid 165 and name HB2 ))
( segid " A" and resid 165 and name HD# )
3.425 1.705 1.713 peak 749 weight 1.00000E+00 volume 5.66906E+05 ppm1 3.465 ppm2 7.101
ASSI { 750}
(( segid " A" and resid 167 and name HN ))
(( segid " A" and resid 166 and name HA ))
2.944 1.224 1.472 peak 750 weight 1.00000E+00 volume 1.40643E+06 ppm1 3.810 ppm2 9.136
ASSI { 753}
(( segid " A" and resid 166 and name HA ))
( segid " A" and resid 166 and name HG1#)
2.902 1.182 1.451 peak 753 weight 1.00000E+00 volume 1.53188E+06 ppm1 3.809 ppm2 0.682
ASSI { 754}
(( segid " A" and resid 168 and name HN ))
(( segid " A" and resid 167 and name HA ))
3.068 1.348 1.534 peak 754 weight 1.00000E+00 volume 7.91560E+04 ppm1 5.053 ppm2 8.793
ASSI { 755}
(( segid " A" and resid 167 and name HA ))
(( segid " A" and resid 167 and name HN ))
3.760 1.880 1.880 peak 755 weight 1.00000E+00 volume 3.61126E+04 ppm1 5.054 ppm2 9.153
ASSI { 757}
(( segid " A" and resid 167 and name HA ))
(( segid " A" and resid 167 and name HB2 ))
3.206 1.486 1.603 peak 757 weight 1.00000E+00 volume 8.43675E+05 ppm1 5.056 ppm2 2.670
ASSI { 759}
(( segid " A" and resid 167 and name HA ))
(( segid " A" and resid 167 and name HB1 ))
3.707 1.853 1.853 peak 759 weight 1.00000E+00 volume 3.52969E+05 ppm1 2.603 ppm2 5.057
ASSI { 760}
(( segid " A" and resid 168 and name HN ))
(( segid " A" and resid 167 and name HB1 ))
3.520 1.760 1.760 peak 760 weight 1.00000E+00 volume 4.80962E+05 ppm1 2.608 ppm2 8.789
ASSI { 761}
(( segid " A" and resid 168 and name HN ))
(( segid " A" and resid 167 and name HB2 ))
3.350 1.630 1.675 peak 761 weight 1.00000E+00 volume 6.47398E+05 ppm1 2.692 ppm2 8.785
ASSI { 762}
(( segid " A" and resid 167 and name HA ))
(( segid " A" and resid 167 and name HB2 ))
3.586 1.793 1.793 peak 762 weight 1.00000E+00 volume 4.30852E+05 ppm1 2.693 ppm2 5.045
ASSI { 765}
(( segid " A" and resid 169 and name HN ))
(( segid " A" and resid 169 and name HA1 ))
3.500 1.750 1.750 peak 765 weight 1.00000E+00 volume 4.98121E+05 ppm1 3.475 ppm2 8.797
ASSI { 766}
(( segid " A" and resid 169 and name HN ))
(( segid " A" and resid 169 and name HA2 ))
3.812 1.906 1.906 peak 766 weight 1.00000E+00 volume 2.98511E+05 ppm1 4.386 ppm2 8.792
ASSI { 767}
(( segid " A" and resid 169 and name HA2 ))
(( segid " A" and resid 169 and name HA1 ))
2.938 1.218 1.469 peak 767 weight 1.00000E+00 volume 1.42287E+06 ppm1 3.469 ppm2 4.391
ASSI { 768}
(( segid " A" and resid 169 and name HA2 ))
( segid " A" and resid 132 and name HG2#)
3.413 1.693 1.707 peak 768 weight 1.00000E+00 volume 5.78935E+05 ppm1 4.387 ppm2 1.089
ASSI { 769}
(( segid " A" and resid 169 and name HA1 ))
( segid " A" and resid 132 and name HG2#)
3.710 1.855 1.855 peak 769 weight 1.00000E+00 volume 3.51067E+05 ppm1 3.467 ppm2 1.093
ASSI { 772}
(( segid " A" and resid 171 and name HN ))
(( segid " A" and resid 170 and name HA ))
3.288 1.568 1.644 peak 772 weight 1.00000E+00 volume 5.94299E+04 ppm1 4.643 ppm2 8.654
ASSI { 776}
(( segid " A" and resid 172 and name HN ))
(( segid " A" and resid 171 and name HA ))
3.388 1.668 1.694 peak 776 weight 1.00000E+00 volume 4.71632E+04 ppm1 4.329 ppm2 9.318
ASSI { 777}
(( segid " A" and resid 173 and name HN ))
(( segid " A" and resid 172 and name HA ))
3.401 1.681 1.700 peak 777 weight 1.00000E+00 volume 5.91698E+05 ppm1 4.988 ppm2 8.783
ASSI { 782}
(( segid " A" and resid 182 and name HN ))
(( segid " A" and resid 174 and name HA ))
2.684 0.964 1.342 peak 782 weight 1.00000E+00 volume 2.44949E+06 ppm1 4.611 ppm2 8.480
ASSI { 785}
(( segid " A" and resid 176 and name HN ))
(( segid " A" and resid 175 and name HA ))
3.291 1.571 1.645 peak 785 weight 1.00000E+00 volume 4.79959E+04 ppm1 4.818 ppm2 8.284
ASSI { 786}
(( segid " A" and resid 175 and name HN ))
(( segid " A" and resid 175 and name HA ))
3.792 1.896 1.896 peak 786 weight 1.00000E+00 volume 1.87240E+04 ppm1 4.824 ppm2 8.871
ASSI { 787}
(( segid " A" and resid 128 and name HB ))
(( segid " A" and resid 175 and name HA ))
3.050 1.330 1.525 peak 787 weight 1.00000E+00 volume 4.14134E+04 ppm1 4.824 ppm2 3.985
ASSI { 792}
(( segid " A" and resid 176 and name HA ))
(( segid " A" and resid 176 and name HB ))
3.002 1.282 1.501 peak 792 weight 1.00000E+00 volume 5.26170E+04 ppm1 2.878 ppm2 3.768
ASSI { 794}
(( segid " A" and resid 176 and name HA ))
(( segid " A" and resid 176 and name HB ))
3.087 1.367 1.544 peak 794 weight 1.00000E+00 volume 5.96035E+04 ppm1 3.755 ppm2 2.886
ASSI { 804}
(( segid " A" and resid 180 and name HB2 ))
(( segid " A" and resid 180 and name HA ))
2.973 1.253 1.487 peak 804 weight 1.00000E+00 volume 6.26944E+04 ppm1 4.600 ppm2 3.867
ASSI { 805}
(( segid " A" and resid 180 and name HN ))
(( segid " A" and resid 180 and name HA ))
3.622 1.811 1.811 peak 805 weight 1.00000E+00 volume 2.22632E+04 ppm1 4.588 ppm2 8.091
ASSI { 810}
(( segid " A" and resid 182 and name HN ))
(( segid " A" and resid 181 and name HA ))
2.703 0.983 1.351 peak 810 weight 1.00000E+00 volume 1.73025E+05 ppm1 4.621 ppm2 8.486
ASSI { 816}
(( segid " A" and resid 182 and name HA ))
( segid " A" and resid 182 and name HD1#)
3.189 1.469 1.594 peak 816 weight 1.00000E+00 volume 8.70702E+05 ppm1 4.010 ppm2 0.998
ASSI { 817}
( segid " A" and resid 48 and name HB# )
(( segid " A" and resid 43 and name HB2 ))
3.396 1.676 1.698 peak 817 weight 1.00000E+00 volume 5.37936E+04 ppm1 1.401 ppm2 2.905
ASSI { 821}
(( segid " A" and resid 68 and name HB2 ))
(( segid " A" and resid 113 and name HB ))
2.623 0.903 1.311 peak 821 weight 1.00000E+00 volume 1.17128E+05 ppm1 1.654 ppm2 1.802
ASSI { 822}
(( segid " A" and resid 85 and name HB2 ))
(( segid " A" and resid 69 and name HB2 ))
3.741 1.871 1.871 peak 822 weight 1.00000E+00 volume 3.33766E+05 ppm1 2.638 ppm2 1.758
ASSI { 824}
( segid " A" and resid 129 and name HG1#)
(( segid " A" and resid 104 and name HB2 ))
3.846 1.923 1.923 peak 824 weight 1.00000E+00 volume -2.82784E+05 ppm1 0.918 ppm2 3.166
ASSI { 825}
( segid " A" and resid 129 and name HG1#)
(( segid " A" and resid 104 and name HB2 ))
3.574 1.787 1.787 peak 825 weight 1.00000E+00 volume 1.77116E+04 ppm1 3.159 ppm2 0.920
ASSI { 827}
(( segid " A" and resid 166 and name HB ))
(( segid " A" and resid 162 and name HB ))
3.055 1.335 1.528 peak 827 weight 1.00000E+00 volume 2.51828E+04 ppm1 1.727 ppm2 2.258
ASSI { 828}
(( segid " A" and resid 166 and name HB ))
(( segid " A" and resid 162 and name HB ))
3.120 1.400 1.560 peak 828 weight 1.00000E+00 volume 2.27095E+04 ppm1 2.256 ppm2 1.724
ASSI { 829}
( segid " A" and resid 166 and name HG1#)
(( segid " A" and resid 162 and name HB ))
2.790 1.070 1.395 peak 829 weight 1.00000E+00 volume 9.90955E+04 ppm1 0.674 ppm2 2.263
ASSI { 830}
( segid " A" and resid 166 and name HG1#)
(( segid " A" and resid 162 and name HB ))
3.006 1.286 1.503 peak 830 weight 1.00000E+00 volume 3.00552E+04 ppm1 2.259 ppm2 0.669
ASSI { 831}
( segid " A" and resid 166 and name HG1#)
( segid " A" and resid 152 and name HB# )
2.607 0.887 1.304 peak 831 weight 1.00000E+00 volume 1.90868E+05 ppm1 1.223 ppm2 0.682
ASSI { 836}
( segid " A" and resid 152 and name HB# )
( segid " A" and resid 133 and name HG1#)
2.403 0.683 1.201 peak 836 weight 1.00000E+00 volume 4.76059E+06 ppm1 0.974 ppm2 1.225
ASSI { 837}
( segid " A" and resid 152 and name HB# )
( segid " A" and resid 133 and name HG1#)
2.890 1.170 1.445 peak 837 weight 1.00000E+00 volume 1.57063E+06 ppm1 1.222 ppm2 0.975
ASSI { 839}
( segid " A" and resid 22 and name HG1#)
( segid " A" and resid 22 and name HG2#)
2.729 1.009 1.365 peak 839 weight 1.00000E+00 volume 2.21523E+06 ppm1 0.700 ppm2 0.343
ASSI { 840}
( segid " A" and resid 22 and name HG1#)
(( segid " A" and resid 7 and name HB2 ))
3.804 1.902 1.902 peak 840 weight 1.00000E+00 volume 3.13822E+04 ppm1 2.430 ppm2 0.701
ASSI { 841}
( segid " A" and resid 22 and name HG1#)
( segid " A" and resid 7 and name HE# )
2.804 1.084 1.402 peak 841 weight 1.00000E+00 volume 1.88811E+05 ppm1 0.706 ppm2 6.554
ASSI { 842}
( segid " A" and resid 22 and name HG2#)
( segid " A" and resid 7 and name HE# )
3.661 1.830 1.830 peak 842 weight 1.00000E+00 volume 4.69112E+04 ppm1 0.325 ppm2 6.560
ASSI { 843}
( segid " A" and resid 22 and name HG2#)
( segid " A" and resid 7 and name HD# )
3.433 1.713 1.717 peak 843 weight 1.00000E+00 volume 4.63981E+04 ppm1 0.333 ppm2 6.714
ASSI { 845}
(( segid " A" and resid 54 and name HB2 ))
( segid " A" and resid 7 and name HD# )
7.475 3.737 0.525 peak 845 weight 1.00000E+00 volume 2.75281E+04 ppm1 2.976 ppm2 6.710
ASSI { 848}
(( segid " A" and resid 39 and name HB2 ))
( segid " A" and resid 7 and name HD# )
3.656 1.828 1.828 peak 848 weight 1.00000E+00 volume 2.00306E+04 ppm1 3.903 ppm2 6.708
ASSI { 851}
( segid " A" and resid 37 and name HG1#)
( segid " A" and resid 7 and name HD# )
2.932 1.212 1.466 peak 851 weight 1.00000E+00 volume 5.43546E+04 ppm1 0.566 ppm2 6.754
ASSI { 852}
( segid " A" and resid 37 and name HG1#)
( segid " A" and resid 7 and name HE# )
3.421 1.701 1.710 peak 852 weight 1.00000E+00 volume 1.97280E+04 ppm1 0.565 ppm2 6.585
ASSI { 853}
( segid " A" and resid 7 and name HE# )
(( segid " A" and resid 37 and name HB ))
4.053 2.026 2.026 peak 853 weight 1.00000E+00 volume 2.06692E+05 ppm1 1.670 ppm2 6.624
ASSI { 855}
(( segid " A" and resid 54 and name HB2 ))
(( segid " A" and resid 4 and name HB ))
3.299 1.579 1.649 peak 855 weight 1.00000E+00 volume 5.56021E+04 ppm1 2.986 ppm2 1.900
ASSI { 856}
(( segid " A" and resid 54 and name HB2 ))
(( segid " A" and resid 4 and name HB ))
3.942 1.971 1.971 peak 856 weight 1.00000E+00 volume 1.61960E+04 ppm1 1.911 ppm2 2.990
ASSI { 857}
(( segid " A" and resid 54 and name HB2 ))
(( segid " A" and resid 37 and name HB ))
3.292 1.572 1.646 peak 857 weight 1.00000E+00 volume 7.19353E+05 ppm1 1.662 ppm2 2.990
ASSI { 860}
( segid " A" and resid 54 and name HD# )
(( segid " A" and resid 37 and name HB ))
3.438 1.718 1.719 peak 860 weight 1.00000E+00 volume 5.54551E+05 ppm1 1.672 ppm2 7.040
ASSI { 861}
(( segid " A" and resid 25 and name HA ))
(( segid " A" and resid 25 and name HB2 ))
3.615 1.807 1.807 peak 861 weight 1.00000E+00 volume 4.10455E+05 ppm1 5.448 ppm2 3.187
ASSI { 862}
(( segid " A" and resid 25 and name HA ))
(( segid " A" and resid 25 and name HB1 ))
3.638 1.819 1.819 peak 862 weight 1.00000E+00 volume 3.95224E+05 ppm1 5.460 ppm2 2.713
ASSI { 863}
(( segid " A" and resid 7 and name HB1 ))
(( segid " A" and resid 25 and name HB2 ))
4.002 2.001 2.001 peak 863 weight 1.00000E+00 volume -2.22940E+05 ppm1 2.311 ppm2 3.179
ASSI { 864}
( segid " A" and resid 22 and name HG1#)
(( segid " A" and resid 25 and name HB2 ))
3.080 1.360 1.540 peak 864 weight 1.00000E+00 volume -1.07261E+06 ppm1 0.701 ppm2 3.178
ASSI { 865}
( segid " A" and resid 22 and name HG1#)
(( segid " A" and resid 25 and name HB2 ))
3.509 1.755 1.755 peak 865 weight 1.00000E+00 volume 4.90348E+05 ppm1 3.185 ppm2 0.690
ASSI { 866}
(( segid " A" and resid 28 and name HA ))
(( segid " A" and resid 28 and name HB ))
3.491 1.746 1.746 peak 866 weight 1.00000E+00 volume 5.05564E+05 ppm1 3.971 ppm2 2.083
ASSI { 869}
( segid " A" and resid 54 and name HE# )
( segid " A" and resid 22 and name HG2#)
3.501 1.751 1.751 peak 869 weight 1.00000E+00 volume 4.96971E+05 ppm1 0.330 ppm2 7.168
ASSI { 870}
( segid " A" and resid 54 and name HD# )
( segid " A" and resid 22 and name HG2#)
5.400 2.700 2.600 peak 870 weight 1.00000E+00 volume 2.30180E+04 ppm1 0.330 ppm2 7.043
ASSI { 871}
( segid " A" and resid 22 and name HG2#)
(( segid " A" and resid 11 and name HB2 ))
2.615 0.895 1.307 peak 871 weight 1.00000E+00 volume 2.86620E+06 ppm1 0.323 ppm2 1.380
ASSI { 872}
( segid " A" and resid 13 and name HD1#)
( segid " A" and resid 7 and name HE# )
4.362 2.181 2.181 peak 872 weight 1.00000E+00 volume 1.32832E+05 ppm1 0.458 ppm2 6.565
ASSI { 880}
(( segid " A" and resid 39 and name HB2 ))
(( segid " A" and resid 41 and name HB2 ))
4.054 2.027 2.027 peak 880 weight 1.00000E+00 volume 1.52871E+04 ppm1 3.913 ppm2 1.585
ASSI { 882}
(( segid " A" and resid 2 and name HB ))
(( segid " A" and resid 2 and name HA ))
3.220 1.500 1.610 peak 882 weight 1.00000E+00 volume 5.86662E+04 ppm1 1.734 ppm2 4.331
ASSI { 883}
( segid " A" and resid 7 and name HE# )
(( segid " A" and resid 2 and name HB ))
4.701 2.350 2.350 peak 883 weight 1.00000E+00 volume 1.82660E+04 ppm1 1.728 ppm2 6.610
ASSI { 887}
( segid " A" and resid 54 and name HE# )
(( segid " A" and resid 15 and name HB ))
3.470 1.735 1.735 peak 887 weight 1.00000E+00 volume 5.24799E+05 ppm1 2.096 ppm2 7.170
ASSI { 889}
(( segid " A" and resid 14 and name HB2 ))
( segid " A" and resid 63 and name HB# )
3.674 1.837 1.837 peak 889 weight 1.00000E+00 volume 3.72075E+05 ppm1 0.857 ppm2 3.489
ASSI { 890}
(( segid " A" and resid 14 and name HB2 ))
( segid " A" and resid 63 and name HB# )
3.489 1.745 1.745 peak 890 weight 1.00000E+00 volume 5.07144E+05 ppm1 3.490 ppm2 0.854
ASSI { 891}
(( segid " A" and resid 12 and name HB ))
( segid " A" and resid 63 and name HB# )
3.054 1.334 1.527 peak 891 weight 1.00000E+00 volume 1.12805E+06 ppm1 0.854 ppm2 3.973
ASSI { 892}
(( segid " A" and resid 12 and name HB ))
( segid " A" and resid 63 and name HB# )
2.907 1.187 1.454 peak 892 weight 1.00000E+00 volume 1.51573E+06 ppm1 3.971 ppm2 0.854
ASSI { 895}
( segid " A" and resid 63 and name HB# )
(( segid " A" and resid 19 and name HB ))
2.450 0.730 1.225 peak 895 weight 1.00000E+00 volume 4.23834E+06 ppm1 1.765 ppm2 0.860
ASSI { 896}
(( segid " A" and resid 44 and name HB2 ))
(( segid " A" and resid 19 and name HB ))
3.048 1.328 1.524 peak 896 weight 1.00000E+00 volume 1.14092E+06 ppm1 1.772 ppm2 1.455
ASSI { 897}
(( segid " A" and resid 43 and name HB2 ))
( segid " A" and resid 18 and name HB# )
3.661 1.831 1.831 peak 897 weight 1.00000E+00 volume -3.80244E+05 ppm1 1.107 ppm2 2.916
ASSI { 898}
(( segid " A" and resid 16 and name HA ))
(( segid " A" and resid 16 and name HB2 ))
2.664 0.944 1.332 peak 898 weight 1.00000E+00 volume 2.56406E+06 ppm1 4.531 ppm2 2.864
ASSI { 899}
(( segid " A" and resid 45 and name HB2 ))
(( segid " A" and resid 43 and name HB2 ))
4.901 2.451 2.451 peak 899 weight 1.00000E+00 volume -6.60254E+04 ppm1 1.790 ppm2 2.897
ASSI { 901}
(( segid " A" and resid 38 and name HB1 ))
(( segid " A" and resid 26 and name HB2 ))
2.131 0.411 1.066 peak 901 weight 1.00000E+00 volume 3.77648E+05 ppm1 1.695 ppm2 1.853
ASSI { 902}
(( segid " A" and resid 38 and name HB1 ))
( segid " A" and resid 28 and name HG1#)
2.329 0.609 1.165 peak 902 weight 1.00000E+00 volume 4.33609E+05 ppm1 0.580 ppm2 1.694
ASSI { 904}
(( segid " A" and resid 40 and name HB2 ))
(( segid " A" and resid 24 and name HB2 ))
3.774 1.887 1.887 peak 904 weight 1.00000E+00 volume 3.16637E+05 ppm1 2.796 ppm2 1.596
ASSI { 906}
(( segid " A" and resid 23 and name HB ))
(( segid " A" and resid 24 and name HB2 ))
3.770 1.885 1.885 peak 906 weight 1.00000E+00 volume 3.19052E+05 ppm1 2.791 ppm2 1.903
ASSI { 907}
(( segid " A" and resid 23 and name HB ))
(( segid " A" and resid 40 and name HB2 ))
2.768 1.048 1.384 peak 907 weight 1.00000E+00 volume 2.03473E+06 ppm1 1.597 ppm2 1.912
ASSI { 908}
(( segid " A" and resid 23 and name HB ))
(( segid " A" and resid 40 and name HB2 ))
2.899 1.179 1.449 peak 908 weight 1.00000E+00 volume 1.54316E+06 ppm1 1.914 ppm2 1.596
ASSI { 911}
(( segid " A" and resid 42 and name HB2 ))
(( segid " A" and resid 23 and name HG11))
2.443 0.723 1.222 peak 911 weight 1.00000E+00 volume 4.30464E+06 ppm1 1.811 ppm2 1.370
ASSI { 915}
( segid " A" and resid 37 and name HG1#)
(( segid " A" and resid 27 and name HB2 ))
4.005 2.003 2.003 peak 915 weight 1.00000E+00 volume 2.21841E+05 ppm1 2.967 ppm2 0.545
ASSI { 921}
(( segid " A" and resid 116 and name HA ))
(( segid " A" and resid 116 and name HB2 ))
3.932 1.966 1.966 peak 921 weight 1.00000E+00 volume 2.59079E+04 ppm1 4.903 ppm2 2.913
ASSI { 923}
( segid " A" and resid 121 and name HG2#)
(( segid " A" and resid 116 and name HB2 ))
3.195 1.475 1.598 peak 923 weight 1.00000E+00 volume 8.60459E+05 ppm1 2.891 ppm2 0.939
ASSI { 924}
( segid " A" and resid 121 and name HG2#)
(( segid " A" and resid 116 and name HB2 ))
3.084 1.364 1.542 peak 924 weight 1.00000E+00 volume 1.14084E+05 ppm1 0.932 ppm2 2.893
ASSI { 926}
(( segid " A" and resid 114 and name HA ))
(( segid " A" and resid 114 and name HB2 ))
3.000 1.280 1.500 peak 926 weight 1.00000E+00 volume 1.02596E+05 ppm1 5.209 ppm2 2.206
ASSI { 929}
(( segid " A" and resid 112 and name HA ))
(( segid " A" and resid 112 and name HB2 ))
3.310 1.590 1.655 peak 929 weight 1.00000E+00 volume 6.95750E+05 ppm1 5.086 ppm2 2.019
ASSI { 932}
(( segid " A" and resid 119 and name HB2 ))
(( segid " A" and resid 116 and name HB2 ))
3.708 1.854 1.854 peak 932 weight 1.00000E+00 volume 3.52172E+05 ppm1 2.900 ppm2 1.971
ASSI { 933}
(( segid " A" and resid 70 and name HB2 ))
(( segid " A" and resid 82 and name HB2 ))
2.426 0.706 1.213 peak 933 weight 1.00000E+00 volume 4.49554E+06 ppm1 2.911 ppm2 1.627
ASSI { 937}
(( segid " A" and resid 101 and name HA ))
(( segid " A" and resid 101 and name HB2 ))
3.133 1.413 1.567 peak 937 weight 1.00000E+00 volume 9.67355E+05 ppm1 3.966 ppm2 2.260
ASSI { 938}
(( segid " A" and resid 101 and name HA ))
(( segid " A" and resid 101 and name HB1 ))
3.474 1.737 1.737 peak 938 weight 1.00000E+00 volume 5.21125E+05 ppm1 3.969 ppm2 2.064
ASSI { 939}
(( segid " A" and resid 101 and name HA ))
(( segid " A" and resid 101 and name HB2 ))
3.304 1.584 1.652 peak 939 weight 1.00000E+00 volume 7.04250E+05 ppm1 2.240 ppm2 3.928
ASSI { 943}
( segid " A" and resid 123 and name HG1#)
(( segid " A" and resid 111 and name HB ))
2.859 1.139 1.430 peak 943 weight 1.00000E+00 volume 1.67637E+06 ppm1 2.029 ppm2 0.557
ASSI { 944}
( segid " A" and resid 98 and name HD1#)
(( segid " A" and resid 93 and name HB1 ))
3.348 1.628 1.674 peak 944 weight 1.00000E+00 volume 3.79864E+04 ppm1 1.680 ppm2 0.663
ASSI { 945}
(( segid " A" and resid 93 and name HB1 ))
( segid " A" and resid 82 and name HD# )
3.737 1.868 1.868 peak 945 weight 1.00000E+00 volume 3.36383E+05 ppm1 1.663 ppm2 6.965
ASSI { 946}
(( segid " A" and resid 83 and name HN ))
(( segid " A" and resid 70 and name HB1 ))
3.406 1.686 1.703 peak 946 weight 1.00000E+00 volume 5.86159E+05 ppm1 1.795 ppm2 9.326
ASSI { 949}
(( segid " A" and resid 109 and name HB1 ))
(( segid " A" and resid 72 and name HB2 ))
4.778 2.389 2.389 peak 949 weight 1.00000E+00 volume 7.69315E+04 ppm1 2.105 ppm2 2.722
ASSI { 950}
(( segid " A" and resid 109 and name HB1 ))
(( segid " A" and resid 72 and name HB2 ))
3.581 1.790 1.790 peak 950 weight 1.00000E+00 volume 4.34165E+05 ppm1 2.745 ppm2 2.108
ASSI { 953}
( segid " A" and resid 105 and name HD1#)
(( segid " A" and resid 72 and name HB2 ))
4.986 2.493 2.493 peak 953 weight 1.00000E+00 volume -5.95744E+04 ppm1 0.371 ppm2 2.726
ASSI { 955}
( segid " A" and resid 129 and name HG1#)
(( segid " A" and resid 105 and name HA ))
3.129 1.409 1.565 peak 955 weight 1.00000E+00 volume 9.75478E+05 ppm1 4.286 ppm2 0.909
ASSI { 957}
( segid " A" and resid 105 and name HD1#)
( segid " A" and resid 98 and name HD1#)
2.679 0.959 1.340 peak 957 weight 1.00000E+00 volume 7.88622E+04 ppm1 0.664 ppm2 0.401
ASSI { 961}
(( segid " A" and resid 80 and name HA ))
(( segid " A" and resid 80 and name HB2 ))
2.622 0.902 1.311 peak 961 weight 1.00000E+00 volume 2.81656E+06 ppm1 4.520 ppm2 2.889
ASSI { 962}
(( segid " A" and resid 80 and name HA ))
(( segid " A" and resid 80 and name HB1 ))
2.509 0.789 1.255 peak 962 weight 1.00000E+00 volume 3.66963E+06 ppm1 4.523 ppm2 2.942
ASSI { 964}
(( segid " A" and resid 93 and name HB1 ))
(( segid " A" and resid 80 and name HB1 ))
3.551 1.776 1.776 peak 964 weight 1.00000E+00 volume 2.29436E+04 ppm1 1.678 ppm2 2.951
ASSI { 965}
( segid " A" and resid 82 and name HD# )
(( segid " A" and resid 80 and name HB1 ))
3.700 1.850 1.850 peak 965 weight 1.00000E+00 volume 3.45114E+04 ppm1 2.951 ppm2 6.988
ASSI { 967}
( segid " A" and resid 82 and name HD# )
(( segid " A" and resid 72 and name HA ))
3.777 1.889 1.889 peak 967 weight 1.00000E+00 volume 3.15241E+05 ppm1 4.122 ppm2 6.967
ASSI { 973}
(( segid " A" and resid 112 and name HA ))
(( segid " A" and resid 69 and name HB2 ))
3.910 1.955 1.955 peak 973 weight 1.00000E+00 volume 2.56146E+05 ppm1 1.743 ppm2 5.074
ASSI { 974}
(( segid " A" and resid 112 and name HA ))
(( segid " A" and resid 69 and name HB2 ))
3.610 1.805 1.805 peak 974 weight 1.00000E+00 volume 4.13586E+05 ppm1 5.078 ppm2 1.747
ASSI { 975}
(( segid " A" and resid 71 and name HB1 ))
(( segid " A" and resid 83 and name HB2 ))
2.136 0.416 1.068 peak 975 weight 1.00000E+00 volume 9.64360E+06 ppm1 1.811 ppm2 2.000
ASSI { 976}
(( segid " A" and resid 71 and name HB1 ))
(( segid " A" and resid 83 and name HB2 ))
2.322 0.602 1.161 peak 976 weight 1.00000E+00 volume 5.84171E+06 ppm1 1.998 ppm2 1.814
ASSI { 978}
(( segid " A" and resid 81 and name HB ))
(( segid " A" and resid 73 and name HB2 ))
2.931 1.211 1.465 peak 978 weight 1.00000E+00 volume 1.44465E+06 ppm1 2.041 ppm2 1.706
ASSI { 986}
(( segid " A" and resid 79 and name HB2 ))
(( segid " A" and resid 76 and name HB2 ))
3.466 1.733 1.733 peak 986 weight 1.00000E+00 volume 2.85440E+04 ppm1 2.370 ppm2 2.799
ASSI { 987}
(( segid " A" and resid 92 and name HB2 ))
( segid " A" and resid 81 and name HG1#)
2.741 1.021 1.370 peak 987 weight 1.00000E+00 volume 2.15931E+06 ppm1 0.716 ppm2 1.896
ASSI { 988}
(( segid " A" and resid 92 and name HB2 ))
( segid " A" and resid 81 and name HG1#)
2.837 1.117 1.418 peak 988 weight 1.00000E+00 volume 1.75598E+06 ppm1 1.885 ppm2 0.722
ASSI { 990}
( segid " A" and resid 81 and name HG1#)
(( segid " A" and resid 73 and name HB2 ))
3.434 1.714 1.717 peak 990 weight 1.00000E+00 volume 6.91188E+03 ppm1 1.695 ppm2 0.719
ASSI { 991}
( segid " A" and resid 81 and name HG1#)
(( segid " A" and resid 73 and name HB2 ))
3.051 1.331 1.526 peak 991 weight 1.00000E+00 volume 2.60212E+03 ppm1 0.723 ppm2 1.699
ASSI { 1002}
( segid " A" and resid 129 and name HG1#)
(( segid " A" and resid 106 and name HB2 ))
3.327 1.607 1.663 peak 1002 weight 1.00000E+00 volume 3.03338E+04 ppm1 1.692 ppm2 0.906
ASSI { 1013}
( segid " A" and resid 129 and name HG1#)
(( segid " A" and resid 109 and name HG2 ))
3.441 1.721 1.721 peak 1013 weight 1.00000E+00 volume 4.13541E+04 ppm1 2.651 ppm2 0.914
ASSI { 1014}
(( segid " A" and resid 154 and name HA ))
(( segid " A" and resid 154 and name HB ))
3.404 1.684 1.702 peak 1014 weight 1.00000E+00 volume 4.12751E+04 ppm1 4.263 ppm2 1.956
ASSI { 1015}
(( segid " A" and resid 131 and name HB2 ))
(( segid " A" and resid 154 and name HB ))
3.235 1.515 1.617 peak 1015 weight 1.00000E+00 volume 3.08951E+04 ppm1 1.764 ppm2 1.956
ASSI { 1016}
(( segid " A" and resid 131 and name HB2 ))
(( segid " A" and resid 154 and name HB ))
2.575 0.855 1.287 peak 1016 weight 1.00000E+00 volume 1.10441E+05 ppm1 1.954 ppm2 1.762
ASSI { 1017}
( segid " A" and resid 156 and name HG2#)
(( segid " A" and resid 104 and name HA ))
3.837 1.919 1.919 peak 1017 weight 1.00000E+00 volume 2.86830E+05 ppm1 4.731 ppm2 1.160
ASSI { 1018}
( segid " A" and resid 156 and name HG2#)
(( segid " A" and resid 104 and name HA ))
2.673 0.953 1.337 peak 1018 weight 1.00000E+00 volume 2.50792E+06 ppm1 1.166 ppm2 4.708
ASSI { 1021}
(( segid " A" and resid 158 and name HB2 ))
(( segid " A" and resid 103 and name HB2 ))
2.968 1.248 1.484 peak 1021 weight 1.00000E+00 volume 1.33914E+06 ppm1 3.063 ppm2 2.880
ASSI { 1022}
(( segid " A" and resid 158 and name HB2 ))
(( segid " A" and resid 103 and name HB2 ))
2.610 0.890 1.305 peak 1022 weight 1.00000E+00 volume 1.76131E+05 ppm1 2.889 ppm2 3.065
ASSI { 1023}
(( segid " A" and resid 158 and name HB2 ))
(( segid " A" and resid 103 and name HA ))
4.989 2.495 2.495 peak 1023 weight 1.00000E+00 volume 2.12626E+04 ppm1 3.055 ppm2 4.005
ASSI { 1024}
(( segid " A" and resid 127 and name HB2 ))
( segid " A" and resid 128 and name HG2#)
2.498 0.778 1.249 peak 1024 weight 1.00000E+00 volume 1.78786E+05 ppm1 0.955 ppm2 1.835
ASSI { 1025}
( segid " A" and resid 128 and name HG2#)
(( segid " A" and resid 175 and name HB2 ))
4.106 2.053 2.053 peak 1025 weight 1.00000E+00 volume 4.17612E+03 ppm1 3.154 ppm2 0.962
ASSI { 1027}
( segid " A" and resid 182 and name HD1#)
(( segid " A" and resid 128 and name HB ))
3.129 1.409 1.565 peak 1027 weight 1.00000E+00 volume 5.07431E+04 ppm1 3.957 ppm2 1.002
ASSI { 1028}
(( segid " A" and resid 173 and name HA ))
(( segid " A" and resid 173 and name HB ))
2.678 0.958 1.339 peak 1028 weight 1.00000E+00 volume 1.18812E+05 ppm1 1.882 ppm2 4.694
ASSI { 1029}
(( segid " A" and resid 155 and name HA ))
(( segid " A" and resid 155 and name HB2 ))
2.975 1.255 1.487 peak 1029 weight 1.00000E+00 volume 5.91924E+04 ppm1 4.264 ppm2 2.036
ASSI { 1030}
(( segid " A" and resid 155 and name HB2 ))
(( segid " A" and resid 132 and name HB ))
2.825 1.105 1.413 peak 1030 weight 1.00000E+00 volume 1.07009E+05 ppm1 2.040 ppm2 4.275
ASSI { 1038}
( segid " A" and resid 152 and name HB# )
(( segid " A" and resid 133 and name HB ))
3.848 1.924 1.924 peak 1038 weight 1.00000E+00 volume 2.81976E+05 ppm1 1.222 ppm2 1.900
ASSI { 1043}
(( segid " A" and resid 161 and name HB2 ))
(( segid " A" and resid 149 and name HB ))
4.032 2.016 2.016 peak 1043 weight 1.00000E+00 volume 1.99621E+04 ppm1 3.918 ppm2 2.647
ASSI { 1045}
( segid " A" and resid 162 and name HG1#)
(( segid " A" and resid 133 and name HB ))
4.338 2.169 2.169 peak 1045 weight 1.00000E+00 volume 3.89570E+04 ppm1 0.548 ppm2 1.898
ASSI { 1047}
( segid " A" and resid 162 and name HG1#)
( segid " A" and resid 160 and name HD1#)
2.810 1.090 1.405 peak 1047 weight 1.00000E+00 volume 4.35579E+04 ppm1 0.709 ppm2 0.550
ASSI { 1048}
(( segid " A" and resid 181 and name HB2 ))
( segid " A" and resid 162 and name HG1#)
4.290 2.145 2.145 peak 1048 weight 1.00000E+00 volume 2.38811E+04 ppm1 0.542 ppm2 3.093
ASSI { 1056}
( segid " A" and resid 166 and name HG1#)
( segid " A" and resid 162 and name HG1#)
1.996 0.276 0.998 peak 1056 weight 1.00000E+00 volume 5.50011E+05 ppm1 0.547 ppm2 0.680
ASSI { 1057}
( segid " A" and resid 166 and name HG1#)
( segid " A" and resid 162 and name HG1#)
2.121 0.401 1.061 peak 1057 weight 1.00000E+00 volume 1.00436E+07 ppm1 0.681 ppm2 0.552
ASSI { 1058}
( segid " A" and resid 166 and name HG1#)
( segid " A" and resid 133 and name HG1#)
2.138 0.418 1.069 peak 1058 weight 1.00000E+00 volume 9.58910E+06 ppm1 0.973 ppm2 0.682
ASSI { 1060}
(( segid " A" and resid 170 and name HB2 ))
(( segid " A" and resid 167 and name HB1 ))
5.699 2.849 2.301 peak 1060 weight 1.00000E+00 volume -2.67256E+04 ppm1 2.980 ppm2 2.611
ASSI { 1061}
(( segid " A" and resid 170 and name HB2 ))
(( segid " A" and resid 167 and name HB2 ))
4.118 2.059 2.059 peak 1061 weight 1.00000E+00 volume 1.87828E+05 ppm1 2.980 ppm2 2.692
ASSI { 1062}
(( segid " A" and resid 170 and name HB2 ))
( segid " A" and resid 166 and name HG1#)
3.535 1.767 1.767 peak 1062 weight 1.00000E+00 volume 4.69178E+05 ppm1 2.987 ppm2 0.687
ASSI { 1063}
(( segid " A" and resid 170 and name HB2 ))
( segid " A" and resid 166 and name HG1#)
2.731 1.011 1.366 peak 1063 weight 1.00000E+00 volume -2.20473E+06 ppm1 0.682 ppm2 2.986
ASSI { 1067}
(( segid " A" and resid 173 and name HB ))
(( segid " A" and resid 182 and name HB ))
2.301 0.581 1.151 peak 1067 weight 1.00000E+00 volume 2.03715E+05 ppm1 1.901 ppm2 1.798
ASSI { 1068}
(( segid " A" and resid 174 and name HB ))
( segid " A" and resid 129 and name HG2#)
2.971 1.251 1.486 peak 1068 weight 1.00000E+00 volume 4.78221E+04 ppm1 0.702 ppm2 1.535
ASSI { 1069}
(( segid " A" and resid 174 and name HB ))
( segid " A" and resid 129 and name HG2#)
2.726 1.006 1.363 peak 1069 weight 1.00000E+00 volume 1.21944E+05 ppm1 1.537 ppm2 0.698
ASSI { 1071}
( segid " A" and resid 182 and name HD1#)
(( segid " A" and resid 175 and name HB2 ))
3.942 1.971 1.971 peak 1071 weight 1.00000E+00 volume 9.46612E+03 ppm1 3.155 ppm2 1.005
ASSI { 1072}
(( segid " A" and resid 180 and name HB2 ))
(( segid " A" and resid 175 and name HB2 ))
4.383 2.192 2.192 peak 1072 weight 1.00000E+00 volume 1.29090E+05 ppm1 3.835 ppm2 3.179
ASSI { 1075}
(( segid " A" and resid 128 and name HA ))
(( segid " A" and resid 175 and name HB2 ))
3.805 1.903 1.903 peak 1075 weight 1.00000E+00 volume 3.01456E+05 ppm1 3.160 ppm2 5.412
ASSI { 1076}
(( segid " A" and resid 180 and name HB2 ))
( segid " A" and resid 182 and name HD1#)
8.000 4.000 0.000 peak 1076 weight 1.00000E+00 volume -2.17875E+03 ppm1 1.008 ppm2 3.836
ASSI { 1078}
(( segid " A" and resid 2 and name HA ))
(( segid " A" and resid 2 and name HN ))
3.855 1.928 1.928 peak 1078 weight 1.00000E+00 volume 2.78922E+05 ppm1 4.338 ppm2 9.001
ASSI { 1079}
(( segid " A" and resid 3 and name HN ))
(( segid " A" and resid 2 and name HA ))
3.762 1.881 1.881 peak 1079 weight 1.00000E+00 volume 3.22764E+05 ppm1 4.334 ppm2 8.957
ASSI { 1081}
(( segid " A" and resid 2 and name HB ))
(( segid " A" and resid 2 and name HA ))
3.208 1.488 1.604 peak 1081 weight 1.00000E+00 volume 8.40134E+05 ppm1 4.328 ppm2 1.733
ASSI { 1082}
(( segid " A" and resid 6 and name HB2 ))
(( segid " A" and resid 2 and name HA ))
5.044 2.522 2.522 peak 1082 weight 1.00000E+00 volume -5.55894E+04 ppm1 4.338 ppm2 2.894
ASSI { 1083}
( segid " A" and resid 13 and name HD1#)
(( segid " A" and resid 2 and name HB ))
3.669 1.835 1.835 peak 1083 weight 1.00000E+00 volume 3.75134E+05 ppm1 1.732 ppm2 0.467
ASSI { 1086}
(( segid " A" and resid 3 and name HN ))
(( segid " A" and resid 2 and name HB ))
3.977 1.989 1.989 peak 1086 weight 1.00000E+00 volume 1.72728E+04 ppm1 1.734 ppm2 8.957
ASSI { 1087}
(( segid " A" and resid 2 and name HB ))
(( segid " A" and resid 2 and name HN ))
4.110 2.055 2.055 peak 1087 weight 1.00000E+00 volume 1.89821E+05 ppm1 1.734 ppm2 9.002
ASSI { 1088}
(( segid " A" and resid 4 and name HN ))
(( segid " A" and resid 4 and name HA ))
4.246 2.123 2.123 peak 1088 weight 1.00000E+00 volume 8.19375E+03 ppm1 4.452 ppm2 8.327
ASSI { 1089}
(( segid " A" and resid 6 and name HN ))
(( segid " A" and resid 4 and name HA ))
4.239 2.119 2.119 peak 1089 weight 1.00000E+00 volume 5.23900E+03 ppm1 4.457 ppm2 7.932
ASSI { 1090}
(( segid " A" and resid 4 and name HA ))
(( segid " A" and resid 5 and name HN ))
4.397 2.199 2.199 peak 1090 weight 1.00000E+00 volume 1.10871E+04 ppm1 4.463 ppm2 7.859
ASSI { 1091}
( segid " A" and resid 7 and name HD# )
(( segid " A" and resid 4 and name HA ))
4.162 2.081 2.081 peak 1091 weight 1.00000E+00 volume 7.60338E+03 ppm1 4.450 ppm2 6.717
ASSI { 1092}
(( segid " A" and resid 5 and name HA ))
(( segid " A" and resid 4 and name HA ))
3.104 1.384 1.552 peak 1092 weight 1.00000E+00 volume 1.02308E+06 ppm1 4.459 ppm2 4.262
ASSI { 1093}
(( segid " A" and resid 4 and name HB ))
(( segid " A" and resid 4 and name HA ))
2.790 1.070 1.395 peak 1093 weight 1.00000E+00 volume 1.93921E+06 ppm1 4.450 ppm2 1.907
ASSI { 1094}
( segid " A" and resid 4 and name HG1#)
(( segid " A" and resid 4 and name HA ))
2.933 1.213 1.466 peak 1094 weight 1.00000E+00 volume 1.43815E+06 ppm1 4.450 ppm2 0.699
ASSI { 1095}
( segid " A" and resid 37 and name HG1#)
(( segid " A" and resid 4 and name HA ))
5.100 2.550 2.550 peak 1095 weight 1.00000E+00 volume 1.07244E+04 ppm1 4.451 ppm2 0.569
ASSI { 1096}
( segid " A" and resid 4 and name HG2#)
(( segid " A" and resid 4 and name HB ))
4.055 2.028 2.028 peak 1096 weight 1.00000E+00 volume 1.63486E+04 ppm1 1.901 ppm2 0.230
ASSI { 1097}
( segid " A" and resid 4 and name HG1#)
(( segid " A" and resid 4 and name HB ))
3.316 1.596 1.658 peak 1097 weight 1.00000E+00 volume 2.41196E+04 ppm1 1.906 ppm2 0.700
ASSI { 1098}
(( segid " A" and resid 55 and name HN ))
( segid " A" and resid 4 and name HG2#)
4.016 2.008 2.008 peak 1098 weight 1.00000E+00 volume 2.18204E+05 ppm1 0.226 ppm2 9.314
ASSI { 1099}
(( segid " A" and resid 54 and name HN ))
( segid " A" and resid 4 and name HG2#)
4.343 2.171 2.171 peak 1099 weight 1.00000E+00 volume 1.65960E+04 ppm1 0.224 ppm2 9.051
ASSI { 1100}
(( segid " A" and resid 4 and name HN ))
( segid " A" and resid 4 and name HG2#)
3.593 1.797 1.797 peak 1100 weight 1.00000E+00 volume 4.25242E+05 ppm1 0.225 ppm2 8.341
ASSI { 1101}
(( segid " A" and resid 56 and name HN ))
( segid " A" and resid 4 and name HG2#)
4.512 2.256 2.256 peak 1101 weight 1.00000E+00 volume 1.08510E+05 ppm1 0.229 ppm2 7.984
ASSI { 1102}
(( segid " A" and resid 6 and name HN ))
( segid " A" and resid 4 and name HG2#)
4.557 2.278 2.278 peak 1102 weight 1.00000E+00 volume 1.02257E+05 ppm1 0.230 ppm2 7.942
ASSI { 1106}
(( segid " A" and resid 56 and name HA ))
( segid " A" and resid 4 and name HG2#)
2.693 0.973 1.346 peak 1106 weight 1.00000E+00 volume 1.56531E+05 ppm1 0.224 ppm2 4.703
ASSI { 1108}
(( segid " A" and resid 55 and name HA ))
( segid " A" and resid 4 and name HG2#)
7.392 3.696 0.608 peak 1108 weight 1.00000E+00 volume 1.29921E+04 ppm1 0.224 ppm2 4.396
ASSI { 1109}
( segid " A" and resid 4 and name HG2#)
(( segid " A" and resid 5 and name HA ))
5.159 2.579 2.579 peak 1109 weight 1.00000E+00 volume 9.68312E+03 ppm1 0.232 ppm2 4.264
ASSI { 1110}
( segid " A" and resid 4 and name HG2#)
(( segid " A" and resid 5 and name HB2 ))
3.658 1.829 1.829 peak 1110 weight 1.00000E+00 volume 3.82039E+05 ppm1 0.228 ppm2 2.459
ASSI { 1112}
( segid " A" and resid 4 and name HG2#)
(( segid " A" and resid 37 and name HB ))
3.426 1.706 1.713 peak 1112 weight 1.00000E+00 volume 4.67471E+04 ppm1 0.226 ppm2 1.669
ASSI { 1113}
( segid " A" and resid 56 and name HB# )
( segid " A" and resid 4 and name HG2#)
2.484 0.764 1.242 peak 1113 weight 1.00000E+00 volume 2.54616E+05 ppm1 0.226 ppm2 1.295
ASSI { 1114}
( segid " A" and resid 4 and name HG1#)
( segid " A" and resid 4 and name HG2#)
2.413 0.693 1.206 peak 1114 weight 1.00000E+00 volume 3.61307E+05 ppm1 0.696 ppm2 0.222
ASSI { 1119}
( segid " A" and resid 4 and name HG1#)
(( segid " A" and resid 37 and name HB ))
2.461 0.741 1.230 peak 1119 weight 1.00000E+00 volume 1.21238E+05 ppm1 0.698 ppm2 1.673
ASSI { 1122}
(( segid " A" and resid 54 and name HB2 ))
( segid " A" and resid 4 and name HG1#)
3.860 1.930 1.930 peak 1122 weight 1.00000E+00 volume 2.45546E+04 ppm1 0.693 ppm2 2.987
ASSI { 1124}
(( segid " A" and resid 55 and name HA ))
( segid " A" and resid 4 and name HG1#)
2.936 1.216 1.468 peak 1124 weight 1.00000E+00 volume 1.42929E+06 ppm1 0.705 ppm2 4.398
ASSI { 1125}
( segid " A" and resid 4 and name HG1#)
(( segid " A" and resid 4 and name HA ))
2.904 1.184 1.452 peak 1125 weight 1.00000E+00 volume 1.52588E+06 ppm1 0.690 ppm2 4.443
ASSI { 1126}
(( segid " A" and resid 54 and name HA ))
( segid " A" and resid 4 and name HG1#)
2.980 1.260 1.490 peak 1126 weight 1.00000E+00 volume 7.52766E+04 ppm1 0.699 ppm2 4.790
ASSI { 1127}
( segid " A" and resid 7 and name HE# )
( segid " A" and resid 4 and name HG1#)
3.883 1.941 1.941 peak 1127 weight 1.00000E+00 volume 1.65305E+04 ppm1 0.697 ppm2 6.572
ASSI { 1128}
( segid " A" and resid 4 and name HG1#)
( segid " A" and resid 7 and name HD# )
4.423 2.212 2.212 peak 1128 weight 1.00000E+00 volume 1.22243E+05 ppm1 0.697 ppm2 6.736
ASSI { 1129}
( segid " A" and resid 54 and name HD# )
( segid " A" and resid 4 and name HG1#)
3.417 1.697 1.708 peak 1129 weight 1.00000E+00 volume 5.75279E+05 ppm1 0.696 ppm2 7.039
ASSI { 1130}
( segid " A" and resid 54 and name HE# )
( segid " A" and resid 4 and name HG1#)
4.805 2.402 2.402 peak 1130 weight 1.00000E+00 volume 7.44101E+04 ppm1 0.696 ppm2 7.174
ASSI { 1131}
( segid " A" and resid 4 and name HG1#)
(( segid " A" and resid 5 and name HN ))
4.361 2.180 2.180 peak 1131 weight 1.00000E+00 volume -1.33108E+05 ppm1 0.714 ppm2 7.859
ASSI { 1132}
(( segid " A" and resid 56 and name HN ))
( segid " A" and resid 4 and name HG1#)
5.404 2.702 2.596 peak 1132 weight 1.00000E+00 volume -3.67655E+04 ppm1 0.698 ppm2 7.984
ASSI { 1133}
(( segid " A" and resid 4 and name HN ))
( segid " A" and resid 4 and name HG1#)
3.525 1.763 1.763 peak 1133 weight 1.00000E+00 volume 4.77122E+05 ppm1 0.700 ppm2 8.343
ASSI { 1134}
(( segid " A" and resid 54 and name HN ))
( segid " A" and resid 4 and name HG1#)
3.054 1.334 1.527 peak 1134 weight 1.00000E+00 volume 1.12803E+06 ppm1 0.701 ppm2 9.051
ASSI { 1135}
(( segid " A" and resid 6 and name HN ))
(( segid " A" and resid 5 and name HA ))
3.287 1.567 1.644 peak 1135 weight 1.00000E+00 volume 7.25823E+05 ppm1 4.263 ppm2 7.930
ASSI { 1136}
(( segid " A" and resid 5 and name HA ))
(( segid " A" and resid 5 and name HN ))
4.229 2.114 2.114 peak 1136 weight 1.00000E+00 volume 1.69880E+04 ppm1 4.261 ppm2 7.858
ASSI { 1137}
(( segid " A" and resid 6 and name HA ))
(( segid " A" and resid 5 and name HA ))
3.090 1.370 1.545 peak 1137 weight 1.00000E+00 volume 1.05073E+06 ppm1 4.262 ppm2 4.757
ASSI { 1139}
(( segid " A" and resid 5 and name HA ))
(( segid " A" and resid 4 and name HA ))
3.059 1.339 1.529 peak 1139 weight 1.00000E+00 volume -1.11737E+06 ppm1 4.288 ppm2 4.450
ASSI { 1140}
(( segid " A" and resid 5 and name HA ))
(( segid " A" and resid 5 and name HB2 ))
3.283 1.563 1.641 peak 1140 weight 1.00000E+00 volume 7.31470E+05 ppm1 4.275 ppm2 2.474
ASSI { 1144}
( segid " A" and resid 4 and name HG2#)
(( segid " A" and resid 5 and name HB2 ))
5.550 2.775 2.450 peak 1144 weight 1.00000E+00 volume 6.48275E+03 ppm1 2.480 ppm2 0.235
ASSI { 1146}
( segid " A" and resid 4 and name HG1#)
(( segid " A" and resid 5 and name HB2 ))
4.149 2.075 2.075 peak 1146 weight 1.00000E+00 volume 5.81375E+03 ppm1 2.484 ppm2 0.701
ASSI { 1147}
(( segid " A" and resid 6 and name HB2 ))
(( segid " A" and resid 5 and name HB2 ))
4.744 2.372 2.372 peak 1147 weight 1.00000E+00 volume 1.00769E+04 ppm1 2.478 ppm2 2.883
ASSI { 1150}
(( segid " A" and resid 6 and name HN ))
(( segid " A" and resid 5 and name HB2 ))
3.975 1.988 1.988 peak 1150 weight 1.00000E+00 volume 2.32021E+05 ppm1 2.476 ppm2 7.929
ASSI { 1151}
(( segid " A" and resid 4 and name HN ))
(( segid " A" and resid 5 and name HB2 ))
4.324 2.162 2.162 peak 1151 weight 1.00000E+00 volume 1.40074E+05 ppm1 2.473 ppm2 8.349
ASSI { 1152}
(( segid " A" and resid 6 and name HN ))
(( segid " A" and resid 6 and name HA ))
3.652 1.826 1.826 peak 1152 weight 1.00000E+00 volume 3.85676E+05 ppm1 4.766 ppm2 7.933
ASSI { 1153}
(( segid " A" and resid 7 and name HN ))
(( segid " A" and resid 6 and name HA ))
5.123 2.561 2.561 peak 1153 weight 1.00000E+00 volume 5.06658E+04 ppm1 4.754 ppm2 7.063
ASSI { 1154}
(( segid " A" and resid 6 and name HA ))
( segid " A" and resid 7 and name HD# )
4.976 2.488 2.488 peak 1154 weight 1.00000E+00 volume 1.18509E+04 ppm1 4.763 ppm2 6.716
ASSI { 1156}
(( segid " A" and resid 6 and name HA ))
(( segid " A" and resid 6 and name HB2 ))
3.099 1.379 1.549 peak 1156 weight 1.00000E+00 volume 3.49614E+04 ppm1 4.761 ppm2 2.902
ASSI { 1157}
(( segid " A" and resid 6 and name HA ))
(( segid " A" and resid 5 and name HB2 ))
3.539 1.770 1.770 peak 1157 weight 1.00000E+00 volume 2.73788E+04 ppm1 4.761 ppm2 2.477
ASSI { 1159}
(( segid " A" and resid 7 and name HB1 ))
(( segid " A" and resid 6 and name HA ))
3.640 1.820 1.820 peak 1159 weight 1.00000E+00 volume 3.93624E+05 ppm1 4.753 ppm2 2.316
ASSI { 1161}
(( segid " A" and resid 7 and name HA ))
(( segid " A" and resid 6 and name HB2 ))
4.206 2.103 2.103 peak 1161 weight 1.00000E+00 volume 6.61362E+03 ppm1 2.903 ppm2 3.788
ASSI { 1162}
(( segid " A" and resid 6 and name HB2 ))
(( segid " A" and resid 2 and name HA ))
5.309 2.655 2.655 peak 1162 weight 1.00000E+00 volume 5.05525E+03 ppm1 2.882 ppm2 4.332
ASSI { 1163}
(( segid " A" and resid 6 and name HA ))
(( segid " A" and resid 6 and name HB2 ))
2.539 0.819 1.269 peak 1163 weight 1.00000E+00 volume 4.18816E+04 ppm1 2.890 ppm2 4.754
ASSI { 1164}
(( segid " A" and resid 7 and name HN ))
(( segid " A" and resid 6 and name HB2 ))
3.708 1.854 1.854 peak 1164 weight 1.00000E+00 volume 7.95100E+03 ppm1 2.884 ppm2 7.061
ASSI { 1165}
(( segid " A" and resid 6 and name HB2 ))
(( segid " A" and resid 5 and name HN ))
4.516 2.258 2.258 peak 1165 weight 1.00000E+00 volume 1.07899E+05 ppm1 2.884 ppm2 7.859
ASSI { 1166}
(( segid " A" and resid 6 and name HN ))
(( segid " A" and resid 6 and name HB2 ))
4.196 2.098 2.098 peak 1166 weight 1.00000E+00 volume 1.67826E+05 ppm1 2.882 ppm2 7.926
ASSI { 1167}
(( segid " A" and resid 7 and name HA ))
( segid " A" and resid 7 and name HD# )
3.710 1.855 1.855 peak 1167 weight 1.00000E+00 volume 3.51186E+05 ppm1 3.789 ppm2 6.734
ASSI { 1168}
(( segid " A" and resid 7 and name HA ))
(( segid " A" and resid 6 and name HA ))
3.393 1.673 1.696 peak 1168 weight 1.00000E+00 volume 6.00384E+05 ppm1 3.787 ppm2 4.755
ASSI { 1169}
(( segid " A" and resid 8 and name HA ))
(( segid " A" and resid 7 and name HA ))
3.236 1.516 1.618 peak 1169 weight 1.00000E+00 volume 2.09118E+04 ppm1 3.787 ppm2 4.678
ASSI { 1172}
(( segid " A" and resid 7 and name HA ))
(( segid " A" and resid 6 and name HB2 ))
4.493 2.247 2.247 peak 1172 weight 1.00000E+00 volume 5.95450E+03 ppm1 3.768 ppm2 2.894
ASSI { 1173}
(( segid " A" and resid 7 and name HA ))
(( segid " A" and resid 7 and name HB2 ))
3.609 1.805 1.805 peak 1173 weight 1.00000E+00 volume 1.98456E+04 ppm1 3.784 ppm2 2.426
ASSI { 1174}
(( segid " A" and resid 7 and name HA ))
(( segid " A" and resid 7 and name HB1 ))
5.453 2.726 2.547 peak 1174 weight 1.00000E+00 volume -3.48219E+04 ppm1 3.801 ppm2 2.329
ASSI { 1175}
(( segid " A" and resid 22 and name HB ))
(( segid " A" and resid 7 and name HA ))
4.357 2.178 2.178 peak 1175 weight 1.00000E+00 volume 5.16200E+03 ppm1 3.806 ppm2 2.167
ASSI { 1176}
(( segid " A" and resid 11 and name HB2 ))
(( segid " A" and resid 7 and name HA ))
3.266 1.546 1.633 peak 1176 weight 1.00000E+00 volume 4.80389E+04 ppm1 3.791 ppm2 1.386
ASSI { 1179}
( segid " A" and resid 22 and name HG2#)
(( segid " A" and resid 7 and name HA ))
3.598 1.799 1.799 peak 1179 weight 1.00000E+00 volume 1.13831E+04 ppm1 3.795 ppm2 0.336
ASSI { 1181}
( segid " A" and resid 37 and name HG1#)
(( segid " A" and resid 7 and name HB1 ))
4.175 2.087 2.087 peak 1181 weight 1.00000E+00 volume 1.29120E+04 ppm1 2.316 ppm2 0.570
ASSI { 1182}
( segid " A" and resid 22 and name HG1#)
(( segid " A" and resid 7 and name HB1 ))
6.249 3.125 1.751 peak 1182 weight 1.00000E+00 volume 1.53725E+04 ppm1 2.316 ppm2 0.701
ASSI { 1183}
(( segid " A" and resid 7 and name HA ))
(( segid " A" and resid 7 and name HB1 ))
3.609 1.805 1.805 peak 1183 weight 1.00000E+00 volume 4.14053E+05 ppm1 2.318 ppm2 3.788
ASSI { 1184}
(( segid " A" and resid 7 and name HA ))
(( segid " A" and resid 7 and name HB2 ))
3.971 1.985 1.985 peak 1184 weight 1.00000E+00 volume 2.33507E+05 ppm1 2.423 ppm2 3.788
ASSI { 1186}
(( segid " A" and resid 7 and name HB2 ))
(( segid " A" and resid 25 and name HB1 ))
3.531 1.765 1.765 peak 1186 weight 1.00000E+00 volume 4.72654E+05 ppm1 2.425 ppm2 2.709
ASSI { 1187}
(( segid " A" and resid 11 and name HB2 ))
(( segid " A" and resid 7 and name HB2 ))
4.318 2.159 2.159 peak 1187 weight 1.00000E+00 volume 8.04800E+03 ppm1 2.427 ppm2 1.383
ASSI { 1188}
( segid " A" and resid 37 and name HG1#)
(( segid " A" and resid 7 and name HB2 ))
3.691 1.845 1.845 peak 1188 weight 1.00000E+00 volume 3.66746E+04 ppm1 2.424 ppm2 0.569
ASSI { 1189}
(( segid " A" and resid 8 and name HA ))
(( segid " A" and resid 7 and name HB2 ))
3.201 1.481 1.601 peak 1189 weight 1.00000E+00 volume 5.00219E+04 ppm1 2.422 ppm2 4.675
ASSI { 1193}
(( segid " A" and resid 25 and name HA ))
(( segid " A" and resid 7 and name HB2 ))
4.819 2.409 2.409 peak 1193 weight 1.00000E+00 volume 1.58495E+04 ppm1 2.421 ppm2 5.450
ASSI { 1194}
(( segid " A" and resid 8 and name HN ))
(( segid " A" and resid 7 and name HB2 ))
3.867 1.934 1.934 peak 1194 weight 1.00000E+00 volume 1.51671E+04 ppm1 2.425 ppm2 6.122
ASSI { 1195}
(( segid " A" and resid 7 and name HB2 ))
( segid " A" and resid 7 and name HD# )
4.351 2.176 2.176 peak 1195 weight 1.00000E+00 volume 8.38838E+03 ppm1 2.423 ppm2 6.731
ASSI { 1197}
(( segid " A" and resid 11 and name HN ))
(( segid " A" and resid 8 and name HA ))
3.912 1.956 1.956 peak 1197 weight 1.00000E+00 volume 3.82812E+03 ppm1 4.665 ppm2 7.156
ASSI { 1198}
(( segid " A" and resid 7 and name HN ))
(( segid " A" and resid 8 and name HA ))
3.746 1.873 1.873 peak 1198 weight 1.00000E+00 volume 3.31240E+05 ppm1 4.660 ppm2 7.059
ASSI { 1199}
(( segid " A" and resid 8 and name HA ))
(( segid " A" and resid 7 and name HB2 ))
3.348 1.628 1.674 peak 1199 weight 1.00000E+00 volume 6.49624E+05 ppm1 4.669 ppm2 2.424
ASSI { 1200}
( segid " A" and resid 22 and name HG1#)
(( segid " A" and resid 8 and name HA ))
4.482 2.241 2.241 peak 1200 weight 1.00000E+00 volume 1.12934E+05 ppm1 4.666 ppm2 0.693
ASSI { 1201}
( segid " A" and resid 22 and name HG2#)
(( segid " A" and resid 8 and name HA ))
8.000 4.000 0.000 peak 1201 weight 1.00000E+00 volume 7.61950E+03 ppm1 4.663 ppm2 0.331
ASSI { 1224}
(( segid " A" and resid 10 and name HN ))
(( segid " A" and resid 10 and name HA2 ))
3.534 1.767 1.767 peak 1224 weight 1.00000E+00 volume 4.09706E+04 ppm1 4.430 ppm2 9.188
ASSI { 1225}
(( segid " A" and resid 11 and name HN ))
(( segid " A" and resid 10 and name HA1 ))
5.081 2.541 2.541 peak 1225 weight 1.00000E+00 volume 6.65212E+03 ppm1 3.818 ppm2 7.152
ASSI { 1226}
(( segid " A" and resid 11 and name HN ))
(( segid " A" and resid 10 and name HA2 ))
3.897 1.948 1.948 peak 1226 weight 1.00000E+00 volume 2.06420E+04 ppm1 4.417 ppm2 7.149
ASSI { 1227}
(( segid " A" and resid 10 and name HA1 ))
(( segid " A" and resid 23 and name HA ))
3.678 1.839 1.839 peak 1227 weight 1.00000E+00 volume 2.09702E+04 ppm1 3.815 ppm2 4.390
ASSI { 1228}
(( segid " A" and resid 10 and name HA1 ))
(( segid " A" and resid 11 and name HA ))
3.858 1.929 1.929 peak 1228 weight 1.00000E+00 volume 3.31550E+03 ppm1 3.809 ppm2 4.230
ASSI { 1231}
(( segid " A" and resid 11 and name HA ))
(( segid " A" and resid 11 and name HB2 ))
2.795 1.075 1.397 peak 1231 weight 1.00000E+00 volume 1.92235E+06 ppm1 4.228 ppm2 1.382
ASSI { 1232}
(( segid " A" and resid 10 and name HA1 ))
(( segid " A" and resid 11 and name HA ))
4.808 2.404 2.404 peak 1232 weight 1.00000E+00 volume 7.41279E+04 ppm1 4.228 ppm2 3.809
ASSI { 1233}
(( segid " A" and resid 12 and name HA ))
(( segid " A" and resid 11 and name HA ))
5.060 2.530 2.530 peak 1233 weight 1.00000E+00 volume 9.36550E+03 ppm1 4.231 ppm2 5.643
ASSI { 1234}
(( segid " A" and resid 11 and name HA ))
(( segid " A" and resid 8 and name HN ))
5.475 2.737 2.525 peak 1234 weight 1.00000E+00 volume 2.11260E+04 ppm1 4.230 ppm2 6.123
ASSI { 1235}
(( segid " A" and resid 10 and name HN ))
(( segid " A" and resid 11 and name HB2 ))
4.132 2.066 2.066 peak 1235 weight 1.00000E+00 volume 8.08525E+03 ppm1 1.382 ppm2 9.187
ASSI { 1236}
(( segid " A" and resid 22 and name HN ))
(( segid " A" and resid 11 and name HB2 ))
3.734 1.867 1.867 peak 1236 weight 1.00000E+00 volume 1.77959E+04 ppm1 1.381 ppm2 8.916
ASSI { 1237}
(( segid " A" and resid 11 and name HB2 ))
( segid " A" and resid 7 and name HD# )
4.224 2.112 2.112 peak 1237 weight 1.00000E+00 volume 1.05255E+04 ppm1 1.367 ppm2 6.732
ASSI { 1239}
(( segid " A" and resid 11 and name HB2 ))
(( segid " A" and resid 7 and name HA ))
3.950 1.975 1.975 peak 1239 weight 1.00000E+00 volume 1.26152E+04 ppm1 1.380 ppm2 3.790
ASSI { 1240}
(( segid " A" and resid 11 and name HB2 ))
(( segid " A" and resid 7 and name HB2 ))
4.345 2.173 2.173 peak 1240 weight 1.00000E+00 volume 6.31675E+03 ppm1 1.391 ppm2 2.396
ASSI { 1241}
(( segid " A" and resid 11 and name HB2 ))
(( segid " A" and resid 7 and name HB1 ))
5.005 2.502 2.502 peak 1241 weight 1.00000E+00 volume 1.08856E+04 ppm1 1.403 ppm2 2.309
ASSI { 1242}
( segid " A" and resid 22 and name HG1#)
(( segid " A" and resid 11 and name HB2 ))
2.798 1.078 1.399 peak 1242 weight 1.00000E+00 volume 1.90945E+06 ppm1 1.383 ppm2 0.702
ASSI { 1244}
( segid " A" and resid 22 and name HG2#)
(( segid " A" and resid 11 and name HB2 ))
3.184 1.464 1.592 peak 1244 weight 1.00000E+00 volume 8.79365E+05 ppm1 1.383 ppm2 0.331
ASSI { 1245}
( segid " A" and resid 22 and name HG2#)
(( segid " A" and resid 12 and name HA ))
4.998 2.499 2.499 peak 1245 weight 1.00000E+00 volume 8.16862E+03 ppm1 5.643 ppm2 0.332
ASSI { 1247}
(( segid " A" and resid 12 and name HA ))
( segid " A" and resid 63 and name HB# )
3.348 1.628 1.674 peak 1247 weight 1.00000E+00 volume 3.75612E+04 ppm1 5.633 ppm2 0.849
ASSI { 1248}
(( segid " A" and resid 12 and name HA ))
(( segid " A" and resid 11 and name HB2 ))
4.012 2.006 2.006 peak 1248 weight 1.00000E+00 volume 8.42562E+03 ppm1 5.639 ppm2 1.382
ASSI { 1249}
(( segid " A" and resid 21 and name HB2 ))
(( segid " A" and resid 12 and name HA ))
4.335 2.168 2.168 peak 1249 weight 1.00000E+00 volume 9.94688E+03 ppm1 5.642 ppm2 1.564
ASSI { 1250}
(( segid " A" and resid 21 and name HB1 ))
(( segid " A" and resid 12 and name HA ))
4.293 2.146 2.146 peak 1250 weight 1.00000E+00 volume 7.82025E+03 ppm1 5.653 ppm2 1.670
ASSI { 1251}
(( segid " A" and resid 12 and name HA ))
(( segid " A" and resid 13 and name HB ))
4.305 2.152 2.152 peak 1251 weight 1.00000E+00 volume 4.86188E+03 ppm1 5.640 ppm2 1.770
ASSI { 1252}
(( segid " A" and resid 12 and name HA ))
(( segid " A" and resid 11 and name HA ))
4.069 2.034 2.034 peak 1252 weight 1.00000E+00 volume 1.04488E+04 ppm1 5.637 ppm2 4.228
ASSI { 1253}
(( segid " A" and resid 13 and name HA ))
(( segid " A" and resid 12 and name HA ))
4.264 2.132 2.132 peak 1253 weight 1.00000E+00 volume 1.52370E+05 ppm1 5.632 ppm2 5.038
ASSI { 1254}
(( segid " A" and resid 22 and name HN ))
(( segid " A" and resid 12 and name HA ))
3.509 1.754 1.754 peak 1254 weight 1.00000E+00 volume 4.90517E+05 ppm1 5.638 ppm2 8.956
ASSI { 1255}
(( segid " A" and resid 21 and name HN ))
(( segid " A" and resid 12 and name HA ))
4.343 2.172 2.172 peak 1255 weight 1.00000E+00 volume 1.36346E+05 ppm1 5.631 ppm2 9.290
ASSI { 1256}
(( segid " A" and resid 12 and name HN ))
(( segid " A" and resid 12 and name HB ))
3.846 1.923 1.923 peak 1256 weight 1.00000E+00 volume 1.18974E+04 ppm1 3.973 ppm2 7.974
ASSI { 1257}
(( segid " A" and resid 12 and name HB ))
(( segid " A" and resid 63 and name HN ))
5.128 2.564 2.564 peak 1257 weight 1.00000E+00 volume 6.05525E+03 ppm1 3.974 ppm2 7.862
ASSI { 1258}
(( segid " A" and resid 21 and name HA ))
(( segid " A" and resid 12 and name HB ))
4.045 2.022 2.022 peak 1258 weight 1.00000E+00 volume 1.21479E+04 ppm1 3.969 ppm2 5.228
ASSI { 1262}
(( segid " A" and resid 13 and name HA ))
( segid " A" and resid 63 and name HB# )
3.295 1.575 1.647 peak 1262 weight 1.00000E+00 volume 7.15865E+05 ppm1 5.034 ppm2 0.848
ASSI { 1263}
(( segid " A" and resid 13 and name HA ))
(( segid " A" and resid 13 and name HB ))
3.247 1.527 1.623 peak 1263 weight 1.00000E+00 volume 7.81283E+05 ppm1 5.031 ppm2 1.757
ASSI { 1264}
(( segid " A" and resid 13 and name HA ))
(( segid " A" and resid 62 and name HB2 ))
3.660 1.830 1.830 peak 1264 weight 1.00000E+00 volume 3.80883E+05 ppm1 5.033 ppm2 1.939
ASSI { 1265}
(( segid " A" and resid 13 and name HA ))
(( segid " A" and resid 62 and name HB1 ))
4.417 2.209 2.209 peak 1265 weight 1.00000E+00 volume 1.23218E+05 ppm1 5.033 ppm2 2.224
ASSI { 1266}
(( segid " A" and resid 14 and name HB1 ))
(( segid " A" and resid 13 and name HA ))
3.594 1.797 1.797 peak 1266 weight 1.00000E+00 volume 4.25114E+05 ppm1 5.037 ppm2 3.699
ASSI { 1267}
(( segid " A" and resid 13 and name HA ))
(( segid " A" and resid 12 and name HB ))
3.997 1.999 1.999 peak 1267 weight 1.00000E+00 volume 1.06272E+04 ppm1 5.030 ppm2 3.970
ASSI { 1268}
(( segid " A" and resid 13 and name HA ))
(( segid " A" and resid 12 and name HA ))
3.826 1.913 1.913 peak 1268 weight 1.00000E+00 volume 1.27789E+04 ppm1 5.035 ppm2 5.639
ASSI { 1269}
(( segid " A" and resid 13 and name HA ))
(( segid " A" and resid 14 and name HA ))
3.736 1.868 1.868 peak 1269 weight 1.00000E+00 volume 3.36826E+05 ppm1 5.035 ppm2 5.599
ASSI { 1270}
(( segid " A" and resid 20 and name HN ))
(( segid " A" and resid 13 and name HA ))
4.383 2.192 2.192 peak 1270 weight 1.00000E+00 volume 1.29129E+05 ppm1 5.033 ppm2 8.957
ASSI { 1271}
(( segid " A" and resid 13 and name HN ))
(( segid " A" and resid 13 and name HA ))
3.885 1.943 1.943 peak 1271 weight 1.00000E+00 volume 2.66073E+05 ppm1 5.028 ppm2 9.091
ASSI { 1272}
(( segid " A" and resid 13 and name HN ))
(( segid " A" and resid 13 and name HB ))
4.213 2.106 2.106 peak 1272 weight 1.00000E+00 volume 1.63780E+05 ppm1 1.756 ppm2 9.093
ASSI { 1273}
(( segid " A" and resid 20 and name HN ))
(( segid " A" and resid 13 and name HB ))
5.852 2.926 2.148 peak 1273 weight 1.00000E+00 volume 2.27882E+04 ppm1 1.767 ppm2 8.937
ASSI { 1274}
(( segid " A" and resid 14 and name HN ))
(( segid " A" and resid 13 and name HB ))
3.334 1.614 1.667 peak 1274 weight 1.00000E+00 volume 6.66825E+05 ppm1 1.763 ppm2 8.833
ASSI { 1275}
( segid " A" and resid 7 and name HE# )
(( segid " A" and resid 13 and name HB ))
5.120 2.560 2.560 peak 1275 weight 1.00000E+00 volume -5.07930E+04 ppm1 1.762 ppm2 6.606
ASSI { 1276}
(( segid " A" and resid 12 and name HA ))
(( segid " A" and resid 13 and name HB ))
5.367 2.684 2.633 peak 1276 weight 1.00000E+00 volume 3.82872E+04 ppm1 1.766 ppm2 5.652
ASSI { 1277}
(( segid " A" and resid 13 and name HA ))
(( segid " A" and resid 13 and name HB ))
3.465 1.733 1.733 peak 1277 weight 1.00000E+00 volume 5.28730E+05 ppm1 1.761 ppm2 5.037
ASSI { 1278}
(( segid " A" and resid 62 and name HA ))
(( segid " A" and resid 13 and name HB ))
3.672 1.836 1.836 peak 1278 weight 1.00000E+00 volume 3.73747E+05 ppm1 1.763 ppm2 4.605
ASSI { 1279}
(( segid " A" and resid 13 and name HB ))
(( segid " A" and resid 20 and name HB2 ))
5.236 2.618 2.618 peak 1279 weight 1.00000E+00 volume 5.94038E+03 ppm1 1.770 ppm2 2.598
ASSI { 1282}
( segid " A" and resid 13 and name HD1#)
(( segid " A" and resid 13 and name HB ))
2.899 1.179 1.449 peak 1282 weight 1.00000E+00 volume 1.54335E+06 ppm1 1.757 ppm2 0.466
ASSI { 1284}
( segid " A" and resid 22 and name HG2#)
( segid " A" and resid 13 and name HD1#)
2.949 1.229 1.475 peak 1284 weight 1.00000E+00 volume 1.39109E+06 ppm1 0.464 ppm2 0.320
ASSI { 1286}
( segid " A" and resid 13 and name HD1#)
(( segid " A" and resid 7 and name HA ))
5.585 2.793 2.415 peak 1286 weight 1.00000E+00 volume 3.01539E+04 ppm1 0.462 ppm2 3.778
ASSI { 1287}
( segid " A" and resid 13 and name HD1#)
(( segid " A" and resid 4 and name HA ))
5.437 2.718 2.563 peak 1287 weight 1.00000E+00 volume 3.54448E+04 ppm1 0.453 ppm2 4.443
ASSI { 1289}
( segid " A" and resid 13 and name HD1#)
(( segid " A" and resid 12 and name HA ))
3.579 1.789 1.789 peak 1289 weight 1.00000E+00 volume 4.35901E+05 ppm1 0.458 ppm2 5.626
ASSI { 1290}
( segid " A" and resid 13 and name HD1#)
( segid " A" and resid 7 and name HD# )
3.417 1.697 1.708 peak 1290 weight 1.00000E+00 volume 4.13520E+04 ppm1 0.459 ppm2 6.723
ASSI { 1291}
(( segid " A" and resid 13 and name HN ))
( segid " A" and resid 13 and name HD1#)
3.176 1.456 1.588 peak 1291 weight 1.00000E+00 volume 4.40998E+04 ppm1 0.458 ppm2 9.089
ASSI { 1292}
(( segid " A" and resid 13 and name HN ))
(( segid " A" and resid 14 and name HA ))
3.917 1.958 1.958 peak 1292 weight 1.00000E+00 volume 1.33014E+04 ppm1 5.600 ppm2 9.091
ASSI { 1293}
(( segid " A" and resid 20 and name HN ))
(( segid " A" and resid 14 and name HA ))
3.476 1.738 1.738 peak 1293 weight 1.00000E+00 volume 5.19102E+05 ppm1 5.596 ppm2 8.957
ASSI { 1294}
(( segid " A" and resid 13 and name HA ))
(( segid " A" and resid 14 and name HA ))
3.511 1.755 1.755 peak 1294 weight 1.00000E+00 volume 4.89124E+05 ppm1 5.597 ppm2 5.039
ASSI { 1295}
(( segid " A" and resid 14 and name HA ))
(( segid " A" and resid 15 and name HB ))
3.576 1.788 1.788 peak 1295 weight 1.00000E+00 volume 1.58462E+04 ppm1 5.600 ppm2 2.099
ASSI { 1296}
(( segid " A" and resid 14 and name HA ))
( segid " A" and resid 63 and name HB# )
3.544 1.772 1.772 peak 1296 weight 1.00000E+00 volume 2.38539E+04 ppm1 5.599 ppm2 0.853
ASSI { 1298}
( segid " A" and resid 19 and name HD1#)
(( segid " A" and resid 14 and name HB2 ))
4.305 2.153 2.153 peak 1298 weight 1.00000E+00 volume 1.43797E+05 ppm1 3.503 ppm2 0.712
ASSI { 1299}
(( segid " A" and resid 14 and name HB2 ))
(( segid " A" and resid 63 and name HA ))
4.115 2.058 2.058 peak 1299 weight 1.00000E+00 volume 1.88518E+05 ppm1 3.488 ppm2 4.608
ASSI { 1300}
(( segid " A" and resid 19 and name HA ))
(( segid " A" and resid 14 and name HB2 ))
3.950 1.975 1.975 peak 1300 weight 1.00000E+00 volume 2.41164E+05 ppm1 3.486 ppm2 5.087
ASSI { 1301}
(( segid " A" and resid 15 and name HN ))
(( segid " A" and resid 14 and name HB2 ))
3.874 1.937 1.937 peak 1301 weight 1.00000E+00 volume 2.70843E+05 ppm1 3.492 ppm2 8.636
ASSI { 1302}
(( segid " A" and resid 15 and name HN ))
(( segid " A" and resid 14 and name HB1 ))
5.404 2.702 2.596 peak 1302 weight 1.00000E+00 volume 3.67630E+04 ppm1 3.696 ppm2 8.631
ASSI { 1303}
(( segid " A" and resid 14 and name HB1 ))
(( segid " A" and resid 63 and name HN ))
5.116 2.558 2.558 peak 1303 weight 1.00000E+00 volume 5.10852E+04 ppm1 3.696 ppm2 7.838
ASSI { 1304}
(( segid " A" and resid 19 and name HA ))
(( segid " A" and resid 14 and name HB1 ))
4.404 2.202 2.202 peak 1304 weight 1.00000E+00 volume 1.26910E+04 ppm1 3.696 ppm2 5.089
ASSI { 1305}
(( segid " A" and resid 14 and name HB1 ))
(( segid " A" and resid 63 and name HA ))
3.535 1.767 1.767 peak 1305 weight 1.00000E+00 volume 4.69294E+05 ppm1 3.691 ppm2 4.602
ASSI { 1307}
(( segid " A" and resid 14 and name HB1 ))
( segid " A" and resid 63 and name HB# )
3.891 1.946 1.946 peak 1307 weight 1.00000E+00 volume 2.68906E+04 ppm1 3.694 ppm2 0.848
ASSI { 1308}
(( segid " A" and resid 15 and name HA ))
(( segid " A" and resid 15 and name HB ))
2.834 1.114 1.417 peak 1308 weight 1.00000E+00 volume 5.74656E+04 ppm1 4.502 ppm2 2.100
ASSI { 1309}
(( segid " A" and resid 15 and name HA ))
(( segid " A" and resid 14 and name HB1 ))
4.428 2.214 2.214 peak 1309 weight 1.00000E+00 volume 1.21490E+05 ppm1 4.496 ppm2 3.697
ASSI { 1310}
(( segid " A" and resid 15 and name HA ))
(( segid " A" and resid 14 and name HA ))
4.407 2.204 2.204 peak 1310 weight 1.00000E+00 volume 1.24896E+05 ppm1 4.503 ppm2 5.600
ASSI { 1311}
(( segid " A" and resid 18 and name HN ))
(( segid " A" and resid 15 and name HA ))
4.748 2.374 2.374 peak 1311 weight 1.00000E+00 volume 7.99066E+04 ppm1 4.506 ppm2 7.881
ASSI { 1312}
(( segid " A" and resid 20 and name HE1 ))
(( segid " A" and resid 15 and name HB ))
3.225 1.505 1.613 peak 1312 weight 1.00000E+00 volume 5.83489E+04 ppm1 2.099 ppm2 10.150
ASSI { 1313}
(( segid " A" and resid 15 and name HN ))
(( segid " A" and resid 15 and name HB ))
3.249 1.529 1.625 peak 1313 weight 1.00000E+00 volume 2.99931E+04 ppm1 2.100 ppm2 8.632
ASSI { 1315}
(( segid " A" and resid 20 and name HD1 ))
(( segid " A" and resid 15 and name HB ))
3.262 1.542 1.631 peak 1315 weight 1.00000E+00 volume 6.49756E+04 ppm1 2.099 ppm2 7.107
ASSI { 1316}
(( segid " A" and resid 14 and name HA ))
(( segid " A" and resid 15 and name HB ))
3.989 1.995 1.995 peak 1316 weight 1.00000E+00 volume 2.27082E+05 ppm1 2.101 ppm2 5.599
ASSI { 1317}
(( segid " A" and resid 15 and name HA ))
(( segid " A" and resid 15 and name HB ))
2.905 1.185 1.453 peak 1317 weight 1.00000E+00 volume 4.36274E+04 ppm1 2.100 ppm2 4.503
ASSI { 1321}
(( segid " A" and resid 17 and name HB2 ))
(( segid " A" and resid 16 and name HA ))
5.262 2.631 2.631 peak 1321 weight 1.00000E+00 volume 4.31420E+04 ppm1 4.535 ppm2 3.112
ASSI { 1323}
(( segid " A" and resid 18 and name HN ))
(( segid " A" and resid 16 and name HA ))
4.066 2.033 2.033 peak 1323 weight 1.00000E+00 volume 6.86025E+03 ppm1 4.545 ppm2 7.883
ASSI { 1324}
(( segid " A" and resid 17 and name HN ))
(( segid " A" and resid 16 and name HA ))
3.787 1.893 1.893 peak 1324 weight 1.00000E+00 volume 2.18905E+04 ppm1 4.548 ppm2 8.875
ASSI { 1325}
(( segid " A" and resid 20 and name HE1 ))
(( segid " A" and resid 16 and name HB2 ))
5.197 2.598 2.598 peak 1325 weight 1.00000E+00 volume 1.10285E+04 ppm1 2.863 ppm2 10.149
ASSI { 1326}
(( segid " A" and resid 18 and name HN ))
(( segid " A" and resid 16 and name HB2 ))
4.486 2.243 2.243 peak 1326 weight 1.00000E+00 volume 9.62288E+03 ppm1 2.858 ppm2 7.866
ASSI { 1327}
(( segid " A" and resid 16 and name HA ))
(( segid " A" and resid 16 and name HB2 ))
5.546 2.773 2.454 peak 1327 weight 1.00000E+00 volume 3.14535E+04 ppm1 2.861 ppm2 4.536
ASSI { 1328}
(( segid " A" and resid 15 and name HA ))
(( segid " A" and resid 16 and name HB2 ))
5.343 2.672 2.657 peak 1328 weight 1.00000E+00 volume 3.93348E+04 ppm1 2.862 ppm2 4.503
ASSI { 1330}
(( segid " A" and resid 15 and name HB ))
(( segid " A" and resid 16 and name HB2 ))
5.171 2.586 2.586 peak 1330 weight 1.00000E+00 volume -6.28362E+03 ppm1 2.860 ppm2 2.095
ASSI { 1331}
( segid " A" and resid 18 and name HB# )
(( segid " A" and resid 16 and name HB2 ))
4.158 2.079 2.079 peak 1331 weight 1.00000E+00 volume -1.94875E+03 ppm1 2.864 ppm2 1.107
ASSI { 1332}
(( segid " A" and resid 17 and name HB1 ))
(( segid " A" and resid 16 and name HA ))
3.865 1.932 1.932 peak 1332 weight 1.00000E+00 volume 1.72465E+04 ppm1 2.900 ppm2 4.537
ASSI { 1333}
(( segid " A" and resid 18 and name HA ))
(( segid " A" and resid 17 and name HB1 ))
3.460 1.730 1.730 peak 1333 weight 1.00000E+00 volume 1.56420E+04 ppm1 2.904 ppm2 4.477
ASSI { 1334}
( segid " A" and resid 18 and name HB# )
(( segid " A" and resid 17 and name HB1 ))
4.354 2.177 2.177 peak 1334 weight 1.00000E+00 volume 1.01735E+04 ppm1 2.907 ppm2 1.107
ASSI { 1335}
( segid " A" and resid 18 and name HB# )
(( segid " A" and resid 17 and name HB2 ))
4.575 2.287 2.287 peak 1335 weight 1.00000E+00 volume 1.12945E+04 ppm1 3.120 ppm2 1.128
ASSI { 1337}
(( segid " A" and resid 18 and name HA ))
(( segid " A" and resid 17 and name HB2 ))
4.036 2.018 2.018 peak 1337 weight 1.00000E+00 volume 1.11491E+04 ppm1 3.106 ppm2 4.476
ASSI { 1338}
(( segid " A" and resid 17 and name HB2 ))
(( segid " A" and resid 16 and name HA ))
4.037 2.018 2.018 peak 1338 weight 1.00000E+00 volume 8.82200E+03 ppm1 3.104 ppm2 4.536
ASSI { 1339}
(( segid " A" and resid 18 and name HN ))
(( segid " A" and resid 17 and name HB2 ))
3.763 1.882 1.882 peak 1339 weight 1.00000E+00 volume 1.39885E+04 ppm1 3.111 ppm2 7.866
ASSI { 1340}
(( segid " A" and resid 17 and name HB2 ))
(( segid " A" and resid 17 and name HN ))
5.240 2.620 2.620 peak 1340 weight 1.00000E+00 volume 1.38628E+04 ppm1 3.117 ppm2 8.874
ASSI { 1342}
(( segid " A" and resid 15 and name HN ))
(( segid " A" and resid 18 and name HA ))
4.301 2.150 2.150 peak 1342 weight 1.00000E+00 volume 1.44660E+05 ppm1 4.497 ppm2 8.616
ASSI { 1343}
(( segid " A" and resid 45 and name HN ))
(( segid " A" and resid 18 and name HA ))
4.528 2.264 2.264 peak 1343 weight 1.00000E+00 volume 1.28336E+04 ppm1 4.472 ppm2 8.185
ASSI { 1344}
(( segid " A" and resid 18 and name HA ))
(( segid " A" and resid 20 and name HD1 ))
4.844 2.422 2.422 peak 1344 weight 1.00000E+00 volume 5.88825E+03 ppm1 4.478 ppm2 7.098
ASSI { 1345}
(( segid " A" and resid 19 and name HA ))
(( segid " A" and resid 18 and name HA ))
4.374 2.187 2.187 peak 1345 weight 1.00000E+00 volume 8.35275E+03 ppm1 4.496 ppm2 5.092
ASSI { 1346}
(( segid " A" and resid 18 and name HA ))
(( segid " A" and resid 17 and name HA ))
3.618 1.809 1.809 peak 1346 weight 1.00000E+00 volume 1.64111E+04 ppm1 4.483 ppm2 4.284
ASSI { 1347}
(( segid " A" and resid 18 and name HA ))
(( segid " A" and resid 17 and name HB1 ))
3.884 1.942 1.942 peak 1347 weight 1.00000E+00 volume 1.86179E+04 ppm1 4.479 ppm2 2.876
ASSI { 1349}
(( segid " A" and resid 18 and name HA ))
( segid " A" and resid 19 and name HD1#)
3.731 1.865 1.865 peak 1349 weight 1.00000E+00 volume 1.49555E+04 ppm1 4.479 ppm2 0.716
ASSI { 1350}
( segid " A" and resid 18 and name HB# )
(( segid " A" and resid 19 and name HB ))
3.982 1.991 1.991 peak 1350 weight 1.00000E+00 volume 2.29583E+05 ppm1 1.119 ppm2 1.771
ASSI { 1351}
(( segid " A" and resid 45 and name HB2 ))
( segid " A" and resid 18 and name HB# )
5.546 2.773 2.454 peak 1351 weight 1.00000E+00 volume 3.14640E+04 ppm1 1.120 ppm2 1.799
ASSI { 1352}
( segid " A" and resid 18 and name HB# )
(( segid " A" and resid 16 and name HB2 ))
5.913 2.956 2.087 peak 1352 weight 1.00000E+00 volume 2.14264E+04 ppm1 1.121 ppm2 2.864
ASSI { 1353}
( segid " A" and resid 18 and name HB# )
(( segid " A" and resid 17 and name HB1 ))
8.000 4.000 0.000 peak 1353 weight 1.00000E+00 volume -1.73512E+03 ppm1 1.121 ppm2 2.894
ASSI { 1354}
( segid " A" and resid 18 and name HB# )
(( segid " A" and resid 17 and name HB2 ))
4.250 2.125 2.125 peak 1354 weight 1.00000E+00 volume 1.55363E+05 ppm1 1.108 ppm2 3.117
ASSI { 1355}
( segid " A" and resid 18 and name HB# )
(( segid " A" and resid 43 and name HA ))
4.657 2.329 2.329 peak 1355 weight 1.00000E+00 volume 1.53244E+04 ppm1 1.120 ppm2 3.924
ASSI { 1356}
( segid " A" and resid 18 and name HB# )
(( segid " A" and resid 17 and name HA ))
3.324 1.604 1.662 peak 1356 weight 1.00000E+00 volume 2.18890E+04 ppm1 1.115 ppm2 4.284
ASSI { 1358}
(( segid " A" and resid 19 and name HA ))
( segid " A" and resid 18 and name HB# )
3.626 1.813 1.813 peak 1358 weight 1.00000E+00 volume 1.56991E+04 ppm1 1.120 ppm2 5.088
ASSI { 1359}
(( segid " A" and resid 20 and name HA ))
( segid " A" and resid 18 and name HB# )
5.885 2.943 2.115 peak 1359 weight 1.00000E+00 volume 7.35762E+03 ppm1 1.123 ppm2 5.542
ASSI { 1360}
( segid " A" and resid 18 and name HB# )
(( segid " A" and resid 20 and name HD1 ))
3.243 1.523 1.621 peak 1360 weight 1.00000E+00 volume 6.19661E+04 ppm1 1.115 ppm2 7.109
ASSI { 1361}
(( segid " A" and resid 46 and name HN ))
( segid " A" and resid 18 and name HB# )
6.396 3.198 1.604 peak 1361 weight 1.00000E+00 volume 1.33670E+04 ppm1 1.131 ppm2 7.297
ASSI { 1362}
(( segid " A" and resid 19 and name HN ))
( segid " A" and resid 18 and name HB# )
2.544 0.824 1.272 peak 1362 weight 1.00000E+00 volume 3.37741E+06 ppm1 1.120 ppm2 7.540
ASSI { 1363}
(( segid " A" and resid 18 and name HN ))
( segid " A" and resid 18 and name HB# )
2.701 0.981 1.350 peak 1363 weight 1.00000E+00 volume 2.35812E+06 ppm1 1.121 ppm2 7.871
ASSI { 1364}
(( segid " A" and resid 44 and name HN ))
( segid " A" and resid 18 and name HB# )
4.282 2.141 2.141 peak 1364 weight 1.00000E+00 volume 1.48429E+05 ppm1 1.125 ppm2 8.361
ASSI { 1365}
(( segid " A" and resid 15 and name HN ))
( segid " A" and resid 18 and name HB# )
3.749 1.875 1.875 peak 1365 weight 1.00000E+00 volume 2.47002E+04 ppm1 1.120 ppm2 8.631
ASSI { 1366}
( segid " A" and resid 18 and name HB# )
(( segid " A" and resid 17 and name HN ))
3.931 1.966 1.966 peak 1366 weight 1.00000E+00 volume 2.48106E+05 ppm1 1.109 ppm2 8.871
ASSI { 1368}
(( segid " A" and resid 20 and name HN ))
( segid " A" and resid 18 and name HB# )
4.049 2.024 2.024 peak 1368 weight 1.00000E+00 volume 2.07898E+05 ppm1 1.119 ppm2 8.956
ASSI { 1369}
( segid " A" and resid 18 and name HB# )
(( segid " A" and resid 20 and name HE1 ))
2.691 0.971 1.345 peak 1369 weight 1.00000E+00 volume 2.41304E+06 ppm1 1.120 ppm2 10.152
ASSI { 1370}
(( segid " A" and resid 13 and name HN ))
(( segid " A" and resid 19 and name HA ))
3.893 1.946 1.946 peak 1370 weight 1.00000E+00 volume 1.35442E+04 ppm1 5.088 ppm2 9.087
ASSI { 1371}
(( segid " A" and resid 14 and name HN ))
(( segid " A" and resid 19 and name HA ))
3.725 1.863 1.863 peak 1371 weight 1.00000E+00 volume 1.36621E+04 ppm1 5.089 ppm2 8.830
ASSI { 1372}
(( segid " A" and resid 15 and name HN ))
(( segid " A" and resid 19 and name HA ))
3.714 1.857 1.857 peak 1372 weight 1.00000E+00 volume 1.98975E+04 ppm1 5.088 ppm2 8.633
ASSI { 1373}
(( segid " A" and resid 19 and name HN ))
(( segid " A" and resid 19 and name HA ))
3.965 1.982 1.982 peak 1373 weight 1.00000E+00 volume 2.35776E+05 ppm1 5.094 ppm2 7.543
ASSI { 1374}
(( segid " A" and resid 20 and name HA ))
(( segid " A" and resid 19 and name HA ))
3.513 1.757 1.757 peak 1374 weight 1.00000E+00 volume 4.86688E+05 ppm1 5.088 ppm2 5.536
ASSI { 1375}
(( segid " A" and resid 19 and name HA ))
(( segid " A" and resid 18 and name HA ))
3.191 1.471 1.595 peak 1375 weight 1.00000E+00 volume 8.67186E+05 ppm1 5.088 ppm2 4.480
ASSI { 1377}
(( segid " A" and resid 19 and name HA ))
(( segid " A" and resid 14 and name HB1 ))
3.715 1.857 1.857 peak 1377 weight 1.00000E+00 volume 3.48266E+05 ppm1 5.097 ppm2 3.702
ASSI { 1378}
(( segid " A" and resid 19 and name HA ))
(( segid " A" and resid 14 and name HB2 ))
6.560 3.280 1.440 peak 1378 weight 1.00000E+00 volume 1.14928E+04 ppm1 5.091 ppm2 3.498
ASSI { 1379}
(( segid " A" and resid 19 and name HA ))
(( segid " A" and resid 20 and name HB2 ))
6.694 3.347 1.306 peak 1379 weight 1.00000E+00 volume 4.76925E+03 ppm1 5.080 ppm2 2.606
ASSI { 1380}
(( segid " A" and resid 19 and name HA ))
(( segid " A" and resid 19 and name HB ))
4.048 2.024 2.024 peak 1380 weight 1.00000E+00 volume 8.30375E+03 ppm1 5.071 ppm2 1.767
ASSI { 1381}
(( segid " A" and resid 44 and name HB2 ))
(( segid " A" and resid 19 and name HA ))
5.630 2.815 2.370 peak 1381 weight 1.00000E+00 volume -2.87485E+04 ppm1 5.090 ppm2 1.462
ASSI { 1382}
(( segid " A" and resid 19 and name HA ))
( segid " A" and resid 63 and name HB# )
3.751 1.876 1.876 peak 1382 weight 1.00000E+00 volume 3.28684E+05 ppm1 5.090 ppm2 0.849
ASSI { 1383}
( segid " A" and resid 44 and name HD1#)
(( segid " A" and resid 19 and name HA ))
3.747 1.873 1.873 peak 1383 weight 1.00000E+00 volume 3.30984E+05 ppm1 5.088 ppm2 0.787
ASSI { 1384}
(( segid " A" and resid 19 and name HA ))
( segid " A" and resid 19 and name HD1#)
3.936 1.968 1.968 peak 1384 weight 1.00000E+00 volume 2.01384E+04 ppm1 5.089 ppm2 0.715
ASSI { 1385}
( segid " A" and resid 44 and name HD1#)
(( segid " A" and resid 19 and name HB ))
2.644 0.924 1.322 peak 1385 weight 1.00000E+00 volume 1.31402E+05 ppm1 1.768 ppm2 0.786
ASSI { 1387}
(( segid " A" and resid 12 and name HB ))
(( segid " A" and resid 19 and name HB ))
4.214 2.107 2.107 peak 1387 weight 1.00000E+00 volume 5.45775E+03 ppm1 1.765 ppm2 3.943
ASSI { 1388}
(( segid " A" and resid 18 and name HA ))
(( segid " A" and resid 19 and name HB ))
4.179 2.090 2.090 peak 1388 weight 1.00000E+00 volume 6.37625E+02 ppm1 1.768 ppm2 4.473
ASSI { 1390}
(( segid " A" and resid 44 and name HN ))
(( segid " A" and resid 19 and name HB ))
5.316 2.658 2.658 peak 1390 weight 1.00000E+00 volume 4.05699E+04 ppm1 1.769 ppm2 8.365
ASSI { 1391}
(( segid " A" and resid 20 and name HN ))
(( segid " A" and resid 19 and name HB ))
4.143 2.072 2.072 peak 1391 weight 1.00000E+00 volume 1.80955E+05 ppm1 1.759 ppm2 8.957
ASSI { 1392}
(( segid " A" and resid 20 and name HN ))
( segid " A" and resid 19 and name HD1#)
3.197 1.477 1.598 peak 1392 weight 1.00000E+00 volume 3.06956E+04 ppm1 0.716 ppm2 8.952
ASSI { 1394}
(( segid " A" and resid 19 and name HA ))
( segid " A" and resid 19 and name HD1#)
4.338 2.169 2.169 peak 1394 weight 1.00000E+00 volume 1.37378E+05 ppm1 0.707 ppm2 5.086
ASSI { 1397}
( segid " A" and resid 19 and name HD1#)
(( segid " A" and resid 14 and name HB1 ))
5.169 2.584 2.584 peak 1397 weight 1.00000E+00 volume 1.14294E+04 ppm1 0.716 ppm2 3.697
ASSI { 1398}
(( segid " A" and resid 20 and name HA ))
( segid " A" and resid 41 and name HD1#)
3.429 1.709 1.714 peak 1398 weight 1.00000E+00 volume 3.40426E+04 ppm1 5.536 ppm2 0.792
ASSI { 1399}
(( segid " A" and resid 20 and name HA ))
( segid " A" and resid 18 and name HB# )
4.354 2.177 2.177 peak 1399 weight 1.00000E+00 volume 9.23500E+03 ppm1 5.536 ppm2 1.121
ASSI { 1400}
(( segid " A" and resid 44 and name HB2 ))
(( segid " A" and resid 20 and name HA ))
3.811 1.905 1.905 peak 1400 weight 1.00000E+00 volume 1.92774E+04 ppm1 5.536 ppm2 1.478
ASSI { 1401}
(( segid " A" and resid 20 and name HA ))
(( segid " A" and resid 41 and name HB2 ))
3.411 1.691 1.705 peak 1401 weight 1.00000E+00 volume 4.18799E+04 ppm1 5.542 ppm2 1.586
ASSI { 1402}
(( segid " A" and resid 20 and name HA ))
(( segid " A" and resid 21 and name HB1 ))
3.710 1.855 1.855 peak 1402 weight 1.00000E+00 volume 2.60000E+04 ppm1 5.539 ppm2 1.679
ASSI { 1403}
(( segid " A" and resid 20 and name HA ))
(( segid " A" and resid 20 and name HB2 ))
4.493 2.246 2.246 peak 1403 weight 1.00000E+00 volume 1.11318E+05 ppm1 5.539 ppm2 2.611
ASSI { 1404}
(( segid " A" and resid 20 and name HA ))
(( segid " A" and resid 19 and name HA ))
4.198 2.099 2.099 peak 1404 weight 1.00000E+00 volume 1.40698E+04 ppm1 5.531 ppm2 5.089
ASSI { 1405}
(( segid " A" and resid 20 and name HA ))
(( segid " A" and resid 21 and name HA ))
3.438 1.718 1.719 peak 1405 weight 1.00000E+00 volume 3.02981E+04 ppm1 5.537 ppm2 5.224
ASSI { 1406}
(( segid " A" and resid 20 and name HA ))
(( segid " A" and resid 20 and name HD1 ))
4.277 2.138 2.138 peak 1406 weight 1.00000E+00 volume 1.45236E+04 ppm1 5.530 ppm2 7.105
ASSI { 1407}
(( segid " A" and resid 13 and name HN ))
(( segid " A" and resid 20 and name HA ))
3.854 1.927 1.927 peak 1407 weight 1.00000E+00 volume 1.64194E+04 ppm1 5.537 ppm2 9.088
ASSI { 1408}
(( segid " A" and resid 21 and name HN ))
(( segid " A" and resid 20 and name HA ))
3.245 1.525 1.622 peak 1408 weight 1.00000E+00 volume 4.91195E+04 ppm1 5.537 ppm2 9.275
ASSI { 1409}
(( segid " A" and resid 42 and name HN ))
(( segid " A" and resid 20 and name HA ))
3.926 1.963 1.963 peak 1409 weight 1.00000E+00 volume 1.39979E+04 ppm1 5.538 ppm2 9.339
ASSI { 1410}
(( segid " A" and resid 43 and name HN ))
(( segid " A" and resid 20 and name HA ))
5.291 2.646 2.646 peak 1410 weight 1.00000E+00 volume 6.17000E+03 ppm1 5.555 ppm2 9.734
ASSI { 1411}
(( segid " A" and resid 42 and name HN ))
(( segid " A" and resid 20 and name HB2 ))
5.385 2.693 2.615 peak 1411 weight 1.00000E+00 volume 5.34888E+03 ppm1 2.622 ppm2 9.342
ASSI { 1412}
(( segid " A" and resid 21 and name HN ))
(( segid " A" and resid 20 and name HB2 ))
4.624 2.312 2.312 peak 1412 weight 1.00000E+00 volume 1.07940E+04 ppm1 2.619 ppm2 9.275
ASSI { 1413}
(( segid " A" and resid 13 and name HN ))
(( segid " A" and resid 20 and name HB2 ))
4.448 2.224 2.224 peak 1413 weight 1.00000E+00 volume 7.57600E+03 ppm1 2.607 ppm2 9.090
ASSI { 1414}
(( segid " A" and resid 20 and name HN ))
(( segid " A" and resid 20 and name HB2 ))
3.999 1.999 1.999 peak 1414 weight 1.00000E+00 volume 9.38362E+03 ppm1 2.605 ppm2 8.954
ASSI { 1415}
(( segid " A" and resid 22 and name HN ))
(( segid " A" and resid 20 and name HB2 ))
4.178 2.089 2.089 peak 1415 weight 1.00000E+00 volume 1.42168E+04 ppm1 2.593 ppm2 8.918
ASSI { 1416}
(( segid " A" and resid 15 and name HN ))
(( segid " A" and resid 20 and name HB2 ))
5.019 2.510 2.510 peak 1416 weight 1.00000E+00 volume 5.72404E+04 ppm1 2.611 ppm2 8.606
ASSI { 1417}
(( segid " A" and resid 20 and name HD1 ))
(( segid " A" and resid 20 and name HB2 ))
3.815 1.908 1.908 peak 1417 weight 1.00000E+00 volume 2.96815E+05 ppm1 2.601 ppm2 7.093
ASSI { 1418}
(( segid " A" and resid 12 and name HA ))
(( segid " A" and resid 20 and name HB2 ))
4.376 2.188 2.188 peak 1418 weight 1.00000E+00 volume 1.03799E+04 ppm1 2.606 ppm2 5.611
ASSI { 1419}
(( segid " A" and resid 20 and name HA ))
(( segid " A" and resid 20 and name HB2 ))
3.708 1.854 1.854 peak 1419 weight 1.00000E+00 volume 2.64418E+04 ppm1 2.604 ppm2 5.539
ASSI { 1420}
(( segid " A" and resid 21 and name HA ))
(( segid " A" and resid 20 and name HB2 ))
7.769 3.884 0.231 peak 1420 weight 1.00000E+00 volume 6.28475E+03 ppm1 2.622 ppm2 5.184
ASSI { 1421}
(( segid " A" and resid 19 and name HA ))
(( segid " A" and resid 20 and name HB2 ))
5.719 2.860 2.281 peak 1421 weight 1.00000E+00 volume 2.61585E+04 ppm1 2.604 ppm2 5.091
ASSI { 1422}
(( segid " A" and resid 13 and name HA ))
(( segid " A" and resid 20 and name HB2 ))
6.443 3.221 1.557 peak 1422 weight 1.00000E+00 volume -1.27979E+04 ppm1 2.610 ppm2 5.021
ASSI { 1424}
(( segid " A" and resid 13 and name HB ))
(( segid " A" and resid 20 and name HB2 ))
4.476 2.238 2.238 peak 1424 weight 1.00000E+00 volume 1.13778E+05 ppm1 2.620 ppm2 1.772
ASSI { 1425}
(( segid " A" and resid 41 and name HB2 ))
(( segid " A" and resid 20 and name HB2 ))
3.693 1.846 1.846 peak 1425 weight 1.00000E+00 volume 3.61038E+05 ppm1 2.612 ppm2 1.565
ASSI { 1426}
( segid " A" and resid 41 and name HD1#)
(( segid " A" and resid 20 and name HB2 ))
3.659 1.829 1.829 peak 1426 weight 1.00000E+00 volume 3.81537E+05 ppm1 2.604 ppm2 0.789
ASSI { 1428}
(( segid " A" and resid 21 and name HA ))
(( segid " A" and resid 21 and name HB2 ))
3.166 1.446 1.583 peak 1428 weight 1.00000E+00 volume 3.52840E+04 ppm1 5.224 ppm2 1.563
ASSI { 1430}
(( segid " A" and resid 21 and name HA ))
(( segid " A" and resid 21 and name HB1 ))
3.286 1.566 1.643 peak 1430 weight 1.00000E+00 volume 3.02664E+04 ppm1 5.224 ppm2 1.676
ASSI { 1432}
(( segid " A" and resid 21 and name HA ))
(( segid " A" and resid 12 and name HB ))
4.270 2.135 2.135 peak 1432 weight 1.00000E+00 volume 5.62838E+03 ppm1 5.220 ppm2 3.971
ASSI { 1433}
(( segid " A" and resid 22 and name HA ))
(( segid " A" and resid 21 and name HA ))
4.352 2.176 2.176 peak 1433 weight 1.00000E+00 volume 5.73125E+03 ppm1 5.220 ppm2 3.993
ASSI { 1434}
(( segid " A" and resid 20 and name HA ))
(( segid " A" and resid 21 and name HA ))
4.104 2.052 2.052 peak 1434 weight 1.00000E+00 volume 1.13988E+04 ppm1 5.224 ppm2 5.538
ASSI { 1435}
(( segid " A" and resid 21 and name HA ))
(( segid " A" and resid 12 and name HA ))
3.487 1.744 1.744 peak 1435 weight 1.00000E+00 volume 3.60949E+04 ppm1 5.223 ppm2 5.640
ASSI { 1436}
(( segid " A" and resid 22 and name HN ))
(( segid " A" and resid 21 and name HA ))
2.759 1.039 1.379 peak 1436 weight 1.00000E+00 volume 7.75035E+04 ppm1 5.226 ppm2 8.916
ASSI { 1438}
(( segid " A" and resid 13 and name HN ))
(( segid " A" and resid 21 and name HA ))
2.622 0.902 1.311 peak 1438 weight 1.00000E+00 volume 1.29901E+05 ppm1 5.225 ppm2 9.089
ASSI { 1439}
(( segid " A" and resid 21 and name HN ))
(( segid " A" and resid 21 and name HA ))
3.655 1.827 1.827 peak 1439 weight 1.00000E+00 volume 2.70385E+04 ppm1 5.224 ppm2 9.276
ASSI { 1440}
(( segid " A" and resid 42 and name HN ))
(( segid " A" and resid 21 and name HA ))
3.951 1.975 1.975 peak 1440 weight 1.00000E+00 volume 2.40692E+05 ppm1 5.222 ppm2 9.347
ASSI { 1441}
(( segid " A" and resid 42 and name HN ))
(( segid " A" and resid 21 and name HB1 ))
3.587 1.794 1.794 peak 1441 weight 1.00000E+00 volume 4.29765E+05 ppm1 1.669 ppm2 9.349
ASSI { 1442}
(( segid " A" and resid 21 and name HN ))
(( segid " A" and resid 21 and name HB2 ))
3.825 1.912 1.912 peak 1442 weight 1.00000E+00 volume 1.17141E+04 ppm1 1.559 ppm2 9.275
ASSI { 1443}
(( segid " A" and resid 21 and name HN ))
(( segid " A" and resid 21 and name HB1 ))
3.288 1.568 1.644 peak 1443 weight 1.00000E+00 volume 7.24483E+05 ppm1 1.678 ppm2 9.277
ASSI { 1444}
(( segid " A" and resid 22 and name HN ))
(( segid " A" and resid 21 and name HB2 ))
4.041 2.020 2.020 peak 1444 weight 1.00000E+00 volume 2.10270E+05 ppm1 1.565 ppm2 8.917
ASSI { 1446}
(( segid " A" and resid 20 and name HA ))
(( segid " A" and resid 21 and name HB1 ))
5.289 2.644 2.644 peak 1446 weight 1.00000E+00 volume -4.18364E+04 ppm1 1.660 ppm2 5.544
ASSI { 1447}
(( segid " A" and resid 21 and name HB2 ))
(( segid " A" and resid 12 and name HA ))
5.195 2.597 2.597 peak 1447 weight 1.00000E+00 volume 4.65795E+04 ppm1 1.540 ppm2 5.638
ASSI { 1448}
(( segid " A" and resid 21 and name HA ))
(( segid " A" and resid 21 and name HB1 ))
3.626 1.813 1.813 peak 1448 weight 1.00000E+00 volume 4.02733E+05 ppm1 1.677 ppm2 5.223
ASSI { 1449}
(( segid " A" and resid 21 and name HA ))
(( segid " A" and resid 21 and name HB2 ))
3.729 1.865 1.865 peak 1449 weight 1.00000E+00 volume 3.40234E+05 ppm1 1.562 ppm2 5.224
ASSI { 1451}
( segid " A" and resid 44 and name HD1#)
(( segid " A" and resid 21 and name HB2 ))
2.986 1.266 1.493 peak 1451 weight 1.00000E+00 volume 1.29248E+06 ppm1 1.564 ppm2 0.788
ASSI { 1453}
(( segid " A" and resid 22 and name HA ))
( segid " A" and resid 22 and name HG2#)
3.419 1.699 1.709 peak 1453 weight 1.00000E+00 volume 5.73251E+05 ppm1 3.984 ppm2 0.331
ASSI { 1454}
(( segid " A" and resid 22 and name HA ))
( segid " A" and resid 22 and name HG1#)
2.586 0.866 1.293 peak 1454 weight 1.00000E+00 volume 3.06249E+06 ppm1 3.985 ppm2 0.699
ASSI { 1455}
(( segid " A" and resid 22 and name HA ))
( segid " A" and resid 41 and name HD1#)
2.918 1.198 1.459 peak 1455 weight 1.00000E+00 volume 1.48286E+06 ppm1 3.984 ppm2 0.792
ASSI { 1456}
(( segid " A" and resid 22 and name HA ))
(( segid " A" and resid 23 and name HG12))
4.405 2.202 2.202 peak 1456 weight 1.00000E+00 volume 9.46300E+03 ppm1 3.992 ppm2 1.259
ASSI { 1457}
(( segid " A" and resid 22 and name HA ))
(( segid " A" and resid 23 and name HG11))
4.045 2.023 2.023 peak 1457 weight 1.00000E+00 volume 2.08949E+05 ppm1 3.992 ppm2 1.366
ASSI { 1458}
(( segid " A" and resid 22 and name HA ))
(( segid " A" and resid 41 and name HB2 ))
4.348 2.174 2.174 peak 1458 weight 1.00000E+00 volume 5.83200E+03 ppm1 3.982 ppm2 1.585
ASSI { 1459}
(( segid " A" and resid 22 and name HA ))
(( segid " A" and resid 23 and name HB ))
4.080 2.040 2.040 peak 1459 weight 1.00000E+00 volume 6.12575E+03 ppm1 3.993 ppm2 1.914
ASSI { 1460}
(( segid " A" and resid 22 and name HA ))
(( segid " A" and resid 22 and name HB ))
4.438 2.219 2.219 peak 1460 weight 1.00000E+00 volume 7.50700E+03 ppm1 3.984 ppm2 2.148
ASSI { 1461}
(( segid " A" and resid 22 and name HA ))
(( segid " A" and resid 21 and name HA ))
4.116 2.058 2.058 peak 1461 weight 1.00000E+00 volume 1.88316E+05 ppm1 3.965 ppm2 5.222
ASSI { 1462}
(( segid " A" and resid 41 and name HA ))
(( segid " A" and resid 22 and name HA ))
3.936 1.968 1.968 peak 1462 weight 1.00000E+00 volume 2.46352E+05 ppm1 3.957 ppm2 5.330
ASSI { 1463}
(( segid " A" and resid 24 and name HN ))
(( segid " A" and resid 22 and name HA ))
3.766 1.883 1.883 peak 1463 weight 1.00000E+00 volume 3.21081E+05 ppm1 3.978 ppm2 7.992
ASSI { 1464}
(( segid " A" and resid 22 and name HN ))
(( segid " A" and resid 22 and name HA ))
3.738 1.869 1.869 peak 1464 weight 1.00000E+00 volume 3.35606E+05 ppm1 3.981 ppm2 8.915
ASSI { 1465}
(( segid " A" and resid 41 and name HN ))
(( segid " A" and resid 22 and name HA ))
3.726 1.863 1.863 peak 1465 weight 1.00000E+00 volume 2.68220E+04 ppm1 3.980 ppm2 9.013
ASSI { 1466}
(( segid " A" and resid 23 and name HN ))
(( segid " A" and resid 22 and name HA ))
3.239 1.519 1.619 peak 1466 weight 1.00000E+00 volume 5.97402E+04 ppm1 3.980 ppm2 9.090
ASSI { 1467}
(( segid " A" and resid 10 and name HN ))
(( segid " A" and resid 22 and name HA ))
3.949 1.974 1.974 peak 1467 weight 1.00000E+00 volume 2.41486E+05 ppm1 3.971 ppm2 9.188
ASSI { 1468}
(( segid " A" and resid 21 and name HN ))
(( segid " A" and resid 22 and name HA ))
6.620 3.310 1.380 peak 1468 weight 1.00000E+00 volume 1.08786E+04 ppm1 3.969 ppm2 9.277
ASSI { 1469}
(( segid " A" and resid 42 and name HN ))
(( segid " A" and resid 22 and name HA ))
4.464 2.232 2.232 peak 1469 weight 1.00000E+00 volume 1.15666E+05 ppm1 3.973 ppm2 9.350
ASSI { 1470}
(( segid " A" and resid 10 and name HN ))
(( segid " A" and resid 22 and name HB ))
4.739 2.370 2.370 peak 1470 weight 1.00000E+00 volume 8.07975E+04 ppm1 2.162 ppm2 9.187
ASSI { 1471}
(( segid " A" and resid 23 and name HN ))
(( segid " A" and resid 22 and name HB ))
4.269 2.134 2.134 peak 1471 weight 1.00000E+00 volume 1.51330E+05 ppm1 2.163 ppm2 9.092
ASSI { 1472}
(( segid " A" and resid 11 and name HN ))
(( segid " A" and resid 22 and name HB ))
3.649 1.825 1.825 peak 1472 weight 1.00000E+00 volume 3.87558E+05 ppm1 2.161 ppm2 7.151
ASSI { 1473}
(( segid " A" and resid 21 and name HA ))
(( segid " A" and resid 22 and name HB ))
3.861 1.931 1.931 peak 1473 weight 1.00000E+00 volume 2.76249E+05 ppm1 2.164 ppm2 5.226
ASSI { 1475}
(( segid " A" and resid 23 and name HA ))
(( segid " A" and resid 22 and name HB ))
3.902 1.951 1.951 peak 1475 weight 1.00000E+00 volume 2.59423E+05 ppm1 2.164 ppm2 4.393
ASSI { 1476}
(( segid " A" and resid 22 and name HA ))
(( segid " A" and resid 22 and name HB ))
4.506 2.253 2.253 peak 1476 weight 1.00000E+00 volume 1.09381E+05 ppm1 2.159 ppm2 3.992
ASSI { 1477}
(( segid " A" and resid 22 and name HB ))
(( segid " A" and resid 7 and name HA ))
4.646 2.323 2.323 peak 1477 weight 1.00000E+00 volume 9.10044E+04 ppm1 2.163 ppm2 3.793
ASSI { 1480}
(( segid " A" and resid 22 and name HB ))
( segid " A" and resid 22 and name HG1#)
2.910 1.190 1.455 peak 1480 weight 1.00000E+00 volume 9.23409E+04 ppm1 2.164 ppm2 0.701
ASSI { 1483}
( segid " A" and resid 22 and name HG2#)
(( segid " A" and resid 13 and name HB ))
3.670 1.835 1.835 peak 1483 weight 1.00000E+00 volume 3.74752E+05 ppm1 0.330 ppm2 1.761
ASSI { 1485}
( segid " A" and resid 22 and name HG2#)
(( segid " A" and resid 7 and name HB1 ))
5.049 2.524 2.524 peak 1485 weight 1.00000E+00 volume -5.52852E+04 ppm1 0.319 ppm2 2.314
ASSI { 1486}
( segid " A" and resid 22 and name HG2#)
(( segid " A" and resid 20 and name HB2 ))
4.610 2.305 2.305 peak 1486 weight 1.00000E+00 volume -9.54300E+04 ppm1 0.342 ppm2 2.601
ASSI { 1487}
( segid " A" and resid 22 and name HG2#)
(( segid " A" and resid 25 and name HB1 ))
4.068 2.034 2.034 peak 1487 weight 1.00000E+00 volume -2.02114E+05 ppm1 0.330 ppm2 2.718
ASSI { 1489}
( segid " A" and resid 22 and name HG2#)
(( segid " A" and resid 7 and name HA ))
3.741 1.870 1.870 peak 1489 weight 1.00000E+00 volume 2.38541E+04 ppm1 0.336 ppm2 3.792
ASSI { 1490}
(( segid " A" and resid 39 and name HB2 ))
( segid " A" and resid 22 and name HG2#)
3.164 1.444 1.582 peak 1490 weight 1.00000E+00 volume 7.13079E+04 ppm1 0.335 ppm2 3.922
ASSI { 1491}
(( segid " A" and resid 22 and name HA ))
( segid " A" and resid 22 and name HG2#)
2.933 1.213 1.467 peak 1491 weight 1.00000E+00 volume 1.05340E+05 ppm1 0.331 ppm2 3.993
ASSI { 1492}
(( segid " A" and resid 23 and name HA ))
( segid " A" and resid 22 and name HG2#)
4.061 2.031 2.031 peak 1492 weight 1.00000E+00 volume 1.54929E+04 ppm1 0.327 ppm2 4.396
ASSI { 1496}
(( segid " A" and resid 21 and name HA ))
( segid " A" and resid 22 and name HG2#)
3.365 1.645 1.683 peak 1496 weight 1.00000E+00 volume 6.30136E+05 ppm1 0.331 ppm2 5.225
ASSI { 1497}
(( segid " A" and resid 41 and name HA ))
( segid " A" and resid 22 and name HG2#)
3.838 1.919 1.919 peak 1497 weight 1.00000E+00 volume 1.61140E+04 ppm1 0.331 ppm2 5.328
ASSI { 1498}
(( segid " A" and resid 39 and name HA ))
( segid " A" and resid 22 and name HG2#)
5.766 2.883 2.234 peak 1498 weight 1.00000E+00 volume 1.10951E+04 ppm1 0.330 ppm2 5.385
ASSI { 1500}
( segid " A" and resid 22 and name HG2#)
(( segid " A" and resid 12 and name HA ))
6.530 3.265 1.470 peak 1500 weight 1.00000E+00 volume 1.18065E+04 ppm1 0.334 ppm2 5.629
ASSI { 1501}
( segid " A" and resid 22 and name HG2#)
(( segid " A" and resid 8 and name HN ))
3.784 1.892 1.892 peak 1501 weight 1.00000E+00 volume 3.11734E+05 ppm1 0.330 ppm2 6.124
ASSI { 1502}
(( segid " A" and resid 11 and name HN ))
( segid " A" and resid 22 and name HG2#)
3.413 1.693 1.706 peak 1502 weight 1.00000E+00 volume 5.79725E+05 ppm1 0.331 ppm2 7.150
ASSI { 1503}
(( segid " A" and resid 24 and name HN ))
( segid " A" and resid 22 and name HG2#)
3.800 1.900 1.900 peak 1503 weight 1.00000E+00 volume 3.03999E+05 ppm1 0.324 ppm2 7.991
ASSI { 1504}
( segid " A" and resid 22 and name HG2#)
(( segid " A" and resid 25 and name HN ))
5.492 2.746 2.508 peak 1504 weight 1.00000E+00 volume -3.33686E+04 ppm1 0.337 ppm2 8.154
ASSI { 1505}
(( segid " A" and resid 40 and name HN ))
( segid " A" and resid 22 and name HG2#)
4.632 2.316 2.316 peak 1505 weight 1.00000E+00 volume -9.27082E+04 ppm1 0.329 ppm2 8.603
ASSI { 1507}
(( segid " A" and resid 10 and name HN ))
( segid " A" and resid 22 and name HG2#)
3.604 1.802 1.802 peak 1507 weight 1.00000E+00 volume 2.86104E+04 ppm1 0.331 ppm2 9.188
ASSI { 1508}
(( segid " A" and resid 21 and name HN ))
( segid " A" and resid 22 and name HG2#)
4.377 2.188 2.188 peak 1508 weight 1.00000E+00 volume 1.63728E+04 ppm1 0.330 ppm2 9.274
ASSI { 1509}
(( segid " A" and resid 42 and name HN ))
( segid " A" and resid 22 and name HG2#)
4.826 2.413 2.413 peak 1509 weight 1.00000E+00 volume 7.24945E+04 ppm1 0.329 ppm2 9.348
ASSI { 1510}
(( segid " A" and resid 24 and name HN ))
( segid " A" and resid 22 and name HG1#)
4.183 2.091 2.091 peak 1510 weight 1.00000E+00 volume 1.70961E+05 ppm1 0.698 ppm2 7.996
ASSI { 1511}
(( segid " A" and resid 23 and name HA ))
( segid " A" and resid 22 and name HG1#)
3.176 1.456 1.588 peak 1511 weight 1.00000E+00 volume 8.91244E+05 ppm1 4.389 ppm2 0.700
ASSI { 1512}
(( segid " A" and resid 23 and name HA ))
( segid " A" and resid 23 and name HG2#)
3.058 1.338 1.529 peak 1512 weight 1.00000E+00 volume 1.12006E+06 ppm1 4.392 ppm2 0.724
ASSI { 1514}
(( segid " A" and resid 23 and name HA ))
(( segid " A" and resid 23 and name HG12))
3.272 1.552 1.636 peak 1514 weight 1.00000E+00 volume 7.46350E+05 ppm1 4.392 ppm2 1.260
ASSI { 1515}
(( segid " A" and resid 23 and name HA ))
(( segid " A" and resid 23 and name HG11))
3.167 1.447 1.583 peak 1515 weight 1.00000E+00 volume 2.87872E+04 ppm1 4.389 ppm2 1.366
ASSI { 1516}
(( segid " A" and resid 23 and name HA ))
(( segid " A" and resid 23 and name HB ))
3.227 1.507 1.614 peak 1516 weight 1.00000E+00 volume 3.25905E+04 ppm1 4.390 ppm2 1.908
ASSI { 1518}
(( segid " A" and resid 22 and name HA ))
(( segid " A" and resid 23 and name HA ))
3.906 1.953 1.953 peak 1518 weight 1.00000E+00 volume 1.86646E+04 ppm1 4.387 ppm2 3.993
ASSI { 1520}
(( segid " A" and resid 24 and name HA ))
(( segid " A" and resid 23 and name HA ))
3.297 1.577 1.648 peak 1520 weight 1.00000E+00 volume 2.79368E+04 ppm1 4.392 ppm2 4.781
ASSI { 1521}
(( segid " A" and resid 41 and name HA ))
(( segid " A" and resid 23 and name HA ))
4.405 2.203 2.203 peak 1521 weight 1.00000E+00 volume 1.31561E+04 ppm1 4.391 ppm2 5.331
ASSI { 1522}
(( segid " A" and resid 24 and name HN ))
(( segid " A" and resid 23 and name HA ))
3.609 1.804 1.804 peak 1522 weight 1.00000E+00 volume 4.14345E+05 ppm1 4.385 ppm2 8.013
ASSI { 1523}
(( segid " A" and resid 23 and name HN ))
(( segid " A" and resid 23 and name HA ))
3.367 1.647 1.683 peak 1523 weight 1.00000E+00 volume 6.28644E+05 ppm1 4.389 ppm2 9.091
ASSI { 1524}
(( segid " A" and resid 10 and name HN ))
(( segid " A" and resid 23 and name HA ))
3.676 1.838 1.838 peak 1524 weight 1.00000E+00 volume 1.24148E+04 ppm1 4.391 ppm2 9.183
ASSI { 1525}
(( segid " A" and resid 42 and name HN ))
(( segid " A" and resid 23 and name HB ))
4.251 2.126 2.126 peak 1525 weight 1.00000E+00 volume 1.19249E+04 ppm1 1.915 ppm2 9.357
ASSI { 1526}
(( segid " A" and resid 41 and name HA ))
(( segid " A" and resid 23 and name HB ))
4.294 2.147 2.147 peak 1526 weight 1.00000E+00 volume 1.08672E+04 ppm1 1.922 ppm2 5.330
ASSI { 1527}
(( segid " A" and resid 24 and name HA ))
(( segid " A" and resid 23 and name HB ))
3.360 1.640 1.680 peak 1527 weight 1.00000E+00 volume 6.36698E+05 ppm1 1.915 ppm2 4.778
ASSI { 1528}
(( segid " A" and resid 22 and name HA ))
(( segid " A" and resid 23 and name HB ))
3.573 1.787 1.787 peak 1528 weight 1.00000E+00 volume 4.39938E+05 ppm1 1.916 ppm2 3.990
ASSI { 1529}
(( segid " A" and resid 23 and name HB ))
(( segid " A" and resid 24 and name HB2 ))
5.947 2.973 2.053 peak 1529 weight 1.00000E+00 volume 2.06971E+04 ppm1 1.914 ppm2 2.795
ASSI { 1531}
(( segid " A" and resid 23 and name HB ))
(( segid " A" and resid 23 and name HG12))
2.869 1.149 1.435 peak 1531 weight 1.00000E+00 volume 1.64006E+06 ppm1 1.914 ppm2 1.265
ASSI { 1532}
(( segid " A" and resid 23 and name HB ))
( segid " A" and resid 22 and name HG2#)
4.658 2.329 2.329 peak 1532 weight 1.00000E+00 volume 8.96579E+04 ppm1 1.930 ppm2 0.311
ASSI { 1536}
(( segid " A" and resid 24 and name HA ))
(( segid " A" and resid 25 and name HB1 ))
3.290 1.570 1.645 peak 1536 weight 1.00000E+00 volume 6.21674E+04 ppm1 4.790 ppm2 2.701
ASSI { 1537}
(( segid " A" and resid 24 and name HA ))
(( segid " A" and resid 24 and name HB2 ))
3.386 1.666 1.693 peak 1537 weight 1.00000E+00 volume 4.75101E+04 ppm1 4.789 ppm2 2.801
ASSI { 1541}
(( segid " A" and resid 24 and name HA ))
(( segid " A" and resid 25 and name HN ))
4.078 2.039 2.039 peak 1541 weight 1.00000E+00 volume 1.99065E+05 ppm1 4.794 ppm2 8.168
ASSI { 1544}
(( segid " A" and resid 40 and name HN ))
(( segid " A" and resid 24 and name HB2 ))
4.596 2.298 2.298 peak 1544 weight 1.00000E+00 volume 9.71922E+04 ppm1 2.803 ppm2 8.582
ASSI { 1546}
(( segid " A" and resid 24 and name HB2 ))
(( segid " A" and resid 25 and name HN ))
4.927 2.463 2.463 peak 1546 weight 1.00000E+00 volume 6.40018E+04 ppm1 2.784 ppm2 8.151
ASSI { 1547}
(( segid " A" and resid 24 and name HN ))
(( segid " A" and resid 24 and name HB2 ))
3.888 1.944 1.944 peak 1547 weight 1.00000E+00 volume 2.64930E+05 ppm1 2.790 ppm2 8.001
ASSI { 1550}
(( segid " A" and resid 24 and name HA ))
(( segid " A" and resid 24 and name HB2 ))
3.205 1.485 1.602 peak 1550 weight 1.00000E+00 volume 8.45396E+05 ppm1 2.794 ppm2 4.781
ASSI { 1552}
( segid " A" and resid 37 and name HG1#)
(( segid " A" and resid 25 and name HA ))
3.496 1.748 1.748 peak 1552 weight 1.00000E+00 volume 5.01296E+05 ppm1 5.451 ppm2 0.580
ASSI { 1553}
(( segid " A" and resid 25 and name HA ))
( segid " A" and resid 22 and name HG1#)
3.262 1.542 1.631 peak 1553 weight 1.00000E+00 volume 7.60409E+05 ppm1 5.452 ppm2 0.700
ASSI { 1554}
(( segid " A" and resid 25 and name HA ))
(( segid " A" and resid 26 and name HB2 ))
3.645 1.822 1.822 peak 1554 weight 1.00000E+00 volume 8.71350E+03 ppm1 5.455 ppm2 1.856
ASSI { 1556}
(( segid " A" and resid 39 and name HB2 ))
(( segid " A" and resid 25 and name HA ))
3.502 1.751 1.751 peak 1556 weight 1.00000E+00 volume 8.54550E+03 ppm1 5.449 ppm2 3.922
ASSI { 1557}
(( segid " A" and resid 25 and name HA ))
(( segid " A" and resid 24 and name HA ))
3.410 1.690 1.705 peak 1557 weight 1.00000E+00 volume 5.82612E+05 ppm1 5.450 ppm2 4.776
ASSI { 1558}
(( segid " A" and resid 26 and name HA ))
(( segid " A" and resid 25 and name HA ))
3.549 1.774 1.774 peak 1558 weight 1.00000E+00 volume 4.58464E+05 ppm1 5.443 ppm2 5.209
ASSI { 1559}
(( segid " A" and resid 39 and name HA ))
(( segid " A" and resid 25 and name HA ))
2.766 1.046 1.383 peak 1559 weight 1.00000E+00 volume 2.04513E+06 ppm1 5.449 ppm2 5.384
ASSI { 1560}
(( segid " A" and resid 25 and name HA ))
( segid " A" and resid 7 and name HD# )
3.860 1.930 1.930 peak 1560 weight 1.00000E+00 volume 2.76586E+05 ppm1 5.463 ppm2 6.719
ASSI { 1561}
(( segid " A" and resid 24 and name HN ))
(( segid " A" and resid 25 and name HA ))
4.446 2.223 2.223 peak 1561 weight 1.00000E+00 volume 1.18608E+05 ppm1 5.435 ppm2 7.997
ASSI { 1562}
(( segid " A" and resid 40 and name HN ))
(( segid " A" and resid 25 and name HA ))
3.277 1.557 1.638 peak 1562 weight 1.00000E+00 volume 7.39636E+05 ppm1 5.451 ppm2 8.600
ASSI { 1563}
(( segid " A" and resid 39 and name HN ))
(( segid " A" and resid 25 and name HA ))
3.521 1.761 1.761 peak 1563 weight 1.00000E+00 volume 6.55512E+03 ppm1 5.461 ppm2 8.982
ASSI { 1564}
(( segid " A" and resid 40 and name HN ))
(( segid " A" and resid 25 and name HB1 ))
4.689 2.344 2.344 peak 1564 weight 1.00000E+00 volume 1.29594E+04 ppm1 2.707 ppm2 8.601
ASSI { 1565}
(( segid " A" and resid 26 and name HN ))
(( segid " A" and resid 25 and name HB1 ))
4.478 2.239 2.239 peak 1565 weight 1.00000E+00 volume 2.04255E+04 ppm1 2.706 ppm2 8.722
ASSI { 1566}
(( segid " A" and resid 26 and name HN ))
(( segid " A" and resid 25 and name HB2 ))
3.715 1.857 1.857 peak 1566 weight 1.00000E+00 volume 1.54990E+04 ppm1 3.180 ppm2 8.721
ASSI { 1569}
( segid " A" and resid 7 and name HD# )
(( segid " A" and resid 25 and name HB1 ))
5.290 2.645 2.645 peak 1569 weight 1.00000E+00 volume 4.17640E+04 ppm1 2.709 ppm2 6.734
ASSI { 1570}
( segid " A" and resid 7 and name HD# )
(( segid " A" and resid 25 and name HB2 ))
3.659 1.830 1.830 peak 1570 weight 1.00000E+00 volume 3.81314E+05 ppm1 3.180 ppm2 6.734
ASSI { 1571}
(( segid " A" and resid 39 and name HA ))
(( segid " A" and resid 25 and name HB1 ))
3.837 1.919 1.919 peak 1571 weight 1.00000E+00 volume 2.86880E+05 ppm1 2.709 ppm2 5.385
ASSI { 1572}
(( segid " A" and resid 39 and name HA ))
(( segid " A" and resid 25 and name HB2 ))
4.403 2.202 2.202 peak 1572 weight 1.00000E+00 volume 1.25579E+05 ppm1 3.179 ppm2 5.386
ASSI { 1573}
(( segid " A" and resid 24 and name HA ))
(( segid " A" and resid 25 and name HB2 ))
3.764 1.882 1.882 peak 1573 weight 1.00000E+00 volume 3.22007E+05 ppm1 3.180 ppm2 4.778
ASSI { 1574}
(( segid " A" and resid 24 and name HA ))
(( segid " A" and resid 25 and name HB1 ))
3.105 1.385 1.552 peak 1574 weight 1.00000E+00 volume 1.02172E+06 ppm1 2.710 ppm2 4.776
ASSI { 1575}
(( segid " A" and resid 39 and name HB2 ))
(( segid " A" and resid 25 and name HB1 ))
4.688 2.344 2.344 peak 1575 weight 1.00000E+00 volume 1.04848E+04 ppm1 2.704 ppm2 3.921
ASSI { 1576}
( segid " A" and resid 22 and name HG1#)
(( segid " A" and resid 25 and name HB1 ))
3.487 1.743 1.743 peak 1576 weight 1.00000E+00 volume 1.48305E+04 ppm1 2.705 ppm2 0.698
ASSI { 1577}
( segid " A" and resid 37 and name HG1#)
(( segid " A" and resid 25 and name HB1 ))
3.802 1.901 1.901 peak 1577 weight 1.00000E+00 volume 1.57890E+04 ppm1 2.709 ppm2 0.569
ASSI { 1578}
( segid " A" and resid 37 and name HG1#)
(( segid " A" and resid 25 and name HB2 ))
3.325 1.605 1.662 peak 1578 weight 1.00000E+00 volume 6.77605E+05 ppm1 3.179 ppm2 0.570
ASSI { 1582}
(( segid " A" and resid 26 and name HA ))
(( segid " A" and resid 25 and name HA ))
3.566 1.783 1.783 peak 1582 weight 1.00000E+00 volume 4.45560E+05 ppm1 5.199 ppm2 5.451
ASSI { 1583}
(( segid " A" and resid 27 and name HN ))
(( segid " A" and resid 26 and name HA ))
2.842 1.122 1.421 peak 1583 weight 1.00000E+00 volume 1.73671E+06 ppm1 5.207 ppm2 8.921
ASSI { 1585}
(( segid " A" and resid 38 and name HN ))
(( segid " A" and resid 26 and name HB2 ))
3.926 1.963 1.963 peak 1585 weight 1.00000E+00 volume 5.14786E+04 ppm1 1.853 ppm2 8.881
ASSI { 1586}
(( segid " A" and resid 26 and name HN ))
(( segid " A" and resid 26 and name HB2 ))
3.286 1.566 1.643 peak 1586 weight 1.00000E+00 volume 6.11390E+04 ppm1 1.853 ppm2 8.719
ASSI { 1587}
(( segid " A" and resid 25 and name HA ))
(( segid " A" and resid 26 and name HB2 ))
3.988 1.994 1.994 peak 1587 weight 1.00000E+00 volume 2.27576E+05 ppm1 1.854 ppm2 5.449
ASSI { 1588}
(( segid " A" and resid 39 and name HA ))
(( segid " A" and resid 26 and name HB2 ))
5.136 2.568 2.568 peak 1588 weight 1.00000E+00 volume -4.99032E+04 ppm1 1.855 ppm2 5.384
ASSI { 1589}
(( segid " A" and resid 26 and name HA ))
(( segid " A" and resid 26 and name HB2 ))
3.162 1.442 1.581 peak 1589 weight 1.00000E+00 volume 9.15864E+05 ppm1 1.854 ppm2 5.207
ASSI { 1592}
( segid " A" and resid 37 and name HG1#)
(( segid " A" and resid 27 and name HA ))
3.194 1.474 1.597 peak 1592 weight 1.00000E+00 volume 8.62950E+05 ppm1 4.826 ppm2 0.561
ASSI { 1593}
(( segid " A" and resid 27 and name HA ))
( segid " A" and resid 28 and name HG1#)
3.244 1.524 1.622 peak 1593 weight 1.00000E+00 volume 7.85678E+05 ppm1 4.826 ppm2 0.585
ASSI { 1594}
( segid " A" and resid 35 and name HB# )
(( segid " A" and resid 27 and name HA ))
3.964 1.982 1.982 peak 1594 weight 1.00000E+00 volume 2.35934E+05 ppm1 4.817 ppm2 1.435
ASSI { 1595}
(( segid " A" and resid 27 and name HA ))
(( segid " A" and resid 28 and name HB ))
3.510 1.755 1.755 peak 1595 weight 1.00000E+00 volume 4.89215E+05 ppm1 4.815 ppm2 2.081
ASSI { 1596}
(( segid " A" and resid 27 and name HA ))
(( segid " A" and resid 28 and name HA ))
3.603 1.801 1.801 peak 1596 weight 1.00000E+00 volume 8.82850E+03 ppm1 4.813 ppm2 3.945
ASSI { 1597}
(( segid " A" and resid 37 and name HA ))
(( segid " A" and resid 27 and name HA ))
2.409 0.689 1.204 peak 1597 weight 1.00000E+00 volume 1.44018E+05 ppm1 4.813 ppm2 4.841
ASSI { 1598}
(( segid " A" and resid 27 and name HA ))
(( segid " A" and resid 26 and name HA ))
4.199 2.100 2.100 peak 1598 weight 1.00000E+00 volume -1.66940E+05 ppm1 4.815 ppm2 5.207
ASSI { 1599}
(( segid " A" and resid 26 and name HN ))
(( segid " A" and resid 27 and name HA ))
5.769 2.885 2.231 peak 1599 weight 1.00000E+00 volume -1.25294E+04 ppm1 4.817 ppm2 8.716
ASSI { 1600}
(( segid " A" and resid 28 and name HN ))
(( segid " A" and resid 27 and name HA ))
3.142 1.422 1.571 peak 1600 weight 1.00000E+00 volume 9.51928E+05 ppm1 4.817 ppm2 8.841
ASSI { 1601}
(( segid " A" and resid 38 and name HN ))
(( segid " A" and resid 27 and name HA ))
3.272 1.552 1.636 peak 1601 weight 1.00000E+00 volume 7.46124E+05 ppm1 4.815 ppm2 8.881
ASSI { 1602}
(( segid " A" and resid 27 and name HA ))
(( segid " A" and resid 27 and name HN ))
4.012 2.006 2.006 peak 1602 weight 1.00000E+00 volume 2.19607E+05 ppm1 4.815 ppm2 8.919
ASSI { 1603}
(( segid " A" and resid 27 and name HN ))
(( segid " A" and resid 27 and name HB2 ))
4.111 2.055 2.055 peak 1603 weight 1.00000E+00 volume 7.77275E+03 ppm1 2.969 ppm2 8.921
ASSI { 1604}
(( segid " A" and resid 28 and name HN ))
(( segid " A" and resid 27 and name HB2 ))
6.636 3.318 1.364 peak 1604 weight 1.00000E+00 volume 2.22464E+04 ppm1 2.965 ppm2 8.839
ASSI { 1605}
(( segid " A" and resid 27 and name HA ))
(( segid " A" and resid 27 and name HB2 ))
3.795 1.898 1.898 peak 1605 weight 1.00000E+00 volume 4.00889E+04 ppm1 2.961 ppm2 4.834
ASSI { 1606}
( segid " A" and resid 35 and name HB# )
(( segid " A" and resid 28 and name HA ))
5.917 2.958 2.083 peak 1606 weight 1.00000E+00 volume 1.68062E+03 ppm1 3.941 ppm2 1.450
ASSI { 1607}
(( segid " A" and resid 28 and name HA ))
(( segid " A" and resid 27 and name HB2 ))
5.253 2.626 2.626 peak 1607 weight 1.00000E+00 volume 4.35761E+04 ppm1 3.936 ppm2 2.971
ASSI { 1608}
(( segid " A" and resid 27 and name HA ))
(( segid " A" and resid 28 and name HA ))
3.509 1.755 1.755 peak 1608 weight 1.00000E+00 volume 4.90202E+05 ppm1 3.939 ppm2 4.812
ASSI { 1610}
(( segid " A" and resid 36 and name HN ))
(( segid " A" and resid 28 and name HA ))
6.887 3.444 1.113 peak 1610 weight 1.00000E+00 volume 4.55375E+03 ppm1 3.929 ppm2 8.608
ASSI { 1611}
(( segid " A" and resid 28 and name HN ))
(( segid " A" and resid 28 and name HA ))
3.739 1.869 1.869 peak 1611 weight 1.00000E+00 volume 3.35104E+05 ppm1 3.935 ppm2 8.839
ASSI { 1612}
(( segid " A" and resid 38 and name HN ))
(( segid " A" and resid 28 and name HB ))
5.736 2.868 2.264 peak 1612 weight 1.00000E+00 volume 2.56922E+04 ppm1 2.081 ppm2 8.884
ASSI { 1613}
(( segid " A" and resid 28 and name HN ))
(( segid " A" and resid 28 and name HB ))
4.394 2.197 2.197 peak 1613 weight 1.00000E+00 volume -1.27219E+05 ppm1 2.083 ppm2 8.837
ASSI { 1614}
(( segid " A" and resid 28 and name HB ))
(( segid " A" and resid 29 and name HN ))
4.183 2.091 2.091 peak 1614 weight 1.00000E+00 volume 1.70957E+05 ppm1 2.072 ppm2 8.449
ASSI { 1615}
(( segid " A" and resid 27 and name HA ))
(( segid " A" and resid 28 and name HB ))
3.802 1.901 1.901 peak 1615 weight 1.00000E+00 volume 3.03316E+05 ppm1 2.078 ppm2 4.815
ASSI { 1616}
(( segid " A" and resid 28 and name HA ))
(( segid " A" and resid 28 and name HB ))
3.696 1.848 1.848 peak 1616 weight 1.00000E+00 volume 3.58989E+05 ppm1 2.077 ppm2 3.966
ASSI { 1617}
(( segid " A" and resid 36 and name HB2 ))
(( segid " A" and resid 28 and name HB ))
3.745 1.872 1.872 peak 1617 weight 1.00000E+00 volume -3.32012E+05 ppm1 2.066 ppm2 3.022
ASSI { 1619}
( segid " A" and resid 28 and name HG1#)
(( segid " A" and resid 28 and name HB ))
3.406 1.686 1.703 peak 1619 weight 1.00000E+00 volume 2.07162E+03 ppm1 2.081 ppm2 0.583
ASSI { 1622}
( segid " A" and resid 28 and name HG1#)
(( segid " A" and resid 28 and name HB ))
3.990 1.995 1.995 peak 1622 weight 1.00000E+00 volume 2.26893E+05 ppm1 0.581 ppm2 2.081
ASSI { 1624}
(( segid " A" and resid 28 and name HA ))
( segid " A" and resid 28 and name HG1#)
2.927 1.207 1.463 peak 1624 weight 1.00000E+00 volume 6.93869E+04 ppm1 0.581 ppm2 3.943
ASSI { 1626}
(( segid " A" and resid 37 and name HA ))
( segid " A" and resid 28 and name HG1#)
2.587 0.867 1.294 peak 1626 weight 1.00000E+00 volume 3.05365E+06 ppm1 0.580 ppm2 4.816
ASSI { 1627}
(( segid " A" and resid 37 and name HA ))
( segid " A" and resid 28 and name HG1#)
2.622 0.902 1.311 peak 1627 weight 1.00000E+00 volume 2.81675E+06 ppm1 0.580 ppm2 4.833
ASSI { 1630}
( segid " A" and resid 36 and name HD# )
( segid " A" and resid 28 and name HG1#)
2.745 1.025 1.373 peak 1630 weight 1.00000E+00 volume 2.13818E+06 ppm1 0.581 ppm2 7.065
ASSI { 1631}
(( segid " A" and resid 36 and name HN ))
( segid " A" and resid 28 and name HG1#)
3.480 1.740 1.740 peak 1631 weight 1.00000E+00 volume 5.15336E+05 ppm1 0.580 ppm2 8.638
ASSI { 1632}
(( segid " A" and resid 28 and name HN ))
( segid " A" and resid 28 and name HG1#)
2.845 1.125 1.423 peak 1632 weight 1.00000E+00 volume 1.72651E+06 ppm1 0.580 ppm2 8.839
ASSI { 1633}
(( segid " A" and resid 38 and name HN ))
( segid " A" and resid 28 and name HG1#)
2.720 1.000 1.360 peak 1633 weight 1.00000E+00 volume 2.26013E+06 ppm1 0.580 ppm2 8.880
ASSI { 1634}
(( segid " A" and resid 37 and name HN ))
( segid " A" and resid 28 and name HG1#)
4.231 2.116 2.116 peak 1634 weight 1.00000E+00 volume 1.51804E+04 ppm1 0.581 ppm2 9.300
ASSI { 1637}
( segid " A" and resid 35 and name HB# )
(( segid " A" and resid 34 and name HB2 ))
4.104 2.052 2.052 peak 1637 weight 1.00000E+00 volume 1.37278E+04 ppm1 3.842 ppm2 1.433
ASSI { 1638}
( segid " A" and resid 56 and name HB# )
(( segid " A" and resid 34 and name HB2 ))
5.128 2.564 2.564 peak 1638 weight 1.00000E+00 volume 1.25111E+04 ppm1 3.854 ppm2 1.301
ASSI { 1639}
(( segid " A" and resid 35 and name HA ))
( segid " A" and resid 28 and name HG1#)
4.681 2.340 2.340 peak 1639 weight 1.00000E+00 volume 8.69188E+03 ppm1 4.725 ppm2 0.577
ASSI { 1640}
( segid " A" and resid 56 and name HB# )
(( segid " A" and resid 35 and name HA ))
3.835 1.917 1.917 peak 1640 weight 1.00000E+00 volume 2.18592E+04 ppm1 4.741 ppm2 1.294
ASSI { 1641}
( segid " A" and resid 35 and name HB# )
(( segid " A" and resid 35 and name HA ))
3.168 1.448 1.584 peak 1641 weight 1.00000E+00 volume 9.05905E+05 ppm1 4.735 ppm2 1.434
ASSI { 1642}
(( segid " A" and resid 36 and name HB2 ))
(( segid " A" and resid 35 and name HA ))
3.849 1.924 1.924 peak 1642 weight 1.00000E+00 volume 2.81759E+05 ppm1 4.731 ppm2 3.027
ASSI { 1643}
(( segid " A" and resid 35 and name HA ))
(( segid " A" and resid 34 and name HB2 ))
3.982 1.991 1.991 peak 1643 weight 1.00000E+00 volume 2.29753E+05 ppm1 4.722 ppm2 3.853
ASSI { 1644}
( segid " A" and resid 36 and name HD# )
(( segid " A" and resid 35 and name HA ))
3.440 1.720 1.720 peak 1644 weight 1.00000E+00 volume 5.52338E+05 ppm1 4.738 ppm2 7.058
ASSI { 1645}
(( segid " A" and resid 36 and name HN ))
(( segid " A" and resid 35 and name HA ))
3.572 1.786 1.786 peak 1645 weight 1.00000E+00 volume 4.40724E+05 ppm1 4.733 ppm2 8.632
ASSI { 1646}
(( segid " A" and resid 28 and name HN ))
( segid " A" and resid 35 and name HB# )
5.817 2.909 2.183 peak 1646 weight 1.00000E+00 volume -2.36260E+04 ppm1 1.433 ppm2 8.839
ASSI { 1647}
(( segid " A" and resid 36 and name HN ))
( segid " A" and resid 35 and name HB# )
2.772 1.052 1.386 peak 1647 weight 1.00000E+00 volume 2.02007E+06 ppm1 1.439 ppm2 8.632
ASSI { 1648}
( segid " A" and resid 35 and name HB# )
(( segid " A" and resid 29 and name HN ))
5.004 2.502 2.502 peak 1648 weight 1.00000E+00 volume -5.82904E+04 ppm1 1.449 ppm2 8.452
ASSI { 1649}
( segid " A" and resid 35 and name HB# )
(( segid " A" and resid 35 and name HN ))
3.653 1.826 1.826 peak 1649 weight 1.00000E+00 volume 3.85539E+05 ppm1 1.451 ppm2 8.324
ASSI { 1651}
( segid " A" and resid 36 and name HD# )
( segid " A" and resid 35 and name HB# )
3.823 1.911 1.911 peak 1651 weight 1.00000E+00 volume 2.93313E+05 ppm1 1.443 ppm2 7.065
ASSI { 1652}
(( segid " A" and resid 36 and name HA ))
( segid " A" and resid 35 and name HB# )
4.559 2.279 2.279 peak 1652 weight 1.00000E+00 volume 1.01968E+05 ppm1 1.442 ppm2 5.177
ASSI { 1655}
( segid " A" and resid 35 and name HB# )
(( segid " A" and resid 35 and name HA ))
2.120 0.400 1.060 peak 1655 weight 1.00000E+00 volume 1.00914E+07 ppm1 1.442 ppm2 4.717
ASSI { 1656}
( segid " A" and resid 35 and name HB# )
(( segid " A" and resid 28 and name HA ))
6.103 3.052 1.897 peak 1656 weight 1.00000E+00 volume 1.77124E+04 ppm1 1.448 ppm2 3.944
ASSI { 1657}
( segid " A" and resid 35 and name HB# )
(( segid " A" and resid 34 and name HB2 ))
5.266 2.633 2.633 peak 1657 weight 1.00000E+00 volume -4.29132E+04 ppm1 1.446 ppm2 3.857
ASSI { 1658}
(( segid " A" and resid 36 and name HB2 ))
( segid " A" and resid 35 and name HB# )
4.314 2.157 2.157 peak 1658 weight 1.00000E+00 volume 1.42015E+05 ppm1 1.447 ppm2 3.022
ASSI { 1659}
( segid " A" and resid 35 and name HB# )
(( segid " A" and resid 27 and name HB2 ))
4.154 2.077 2.077 peak 1659 weight 1.00000E+00 volume 2.74000E+03 ppm1 1.450 ppm2 2.964
ASSI { 1665}
( segid " A" and resid 19 and name HD1#)
(( segid " A" and resid 116 and name HB2 ))
4.128 2.064 2.064 peak 1665 weight 1.00000E+00 volume -1.85127E+05 ppm1 0.752 ppm2 2.901
ASSI { 1666}
(( segid " A" and resid 36 and name HA ))
( segid " A" and resid 56 and name HB# )
4.851 2.425 2.425 peak 1666 weight 1.00000E+00 volume 1.08035E+04 ppm1 5.174 ppm2 1.295
ASSI { 1667}
(( segid " A" and resid 36 and name HA ))
( segid " A" and resid 35 and name HB# )
4.174 2.087 2.087 peak 1667 weight 1.00000E+00 volume 8.96438E+03 ppm1 5.175 ppm2 1.441
ASSI { 1668}
(( segid " A" and resid 36 and name HA ))
(( segid " A" and resid 37 and name HB ))
3.383 1.663 1.692 peak 1668 weight 1.00000E+00 volume 2.41784E+04 ppm1 5.176 ppm2 1.668
ASSI { 1669}
(( segid " A" and resid 36 and name HA ))
(( segid " A" and resid 55 and name HA ))
2.743 1.023 1.371 peak 1669 weight 1.00000E+00 volume 1.16709E+05 ppm1 5.173 ppm2 4.394
ASSI { 1671}
(( segid " A" and resid 36 and name HA ))
(( segid " A" and resid 37 and name HA ))
3.357 1.637 1.679 peak 1671 weight 1.00000E+00 volume 4.25261E+04 ppm1 5.175 ppm2 4.831
ASSI { 1672}
(( segid " A" and resid 36 and name HN ))
(( segid " A" and resid 36 and name HA ))
3.091 1.371 1.546 peak 1672 weight 1.00000E+00 volume 4.30998E+04 ppm1 5.176 ppm2 8.632
ASSI { 1673}
(( segid " A" and resid 28 and name HN ))
(( segid " A" and resid 36 and name HA ))
4.017 2.008 2.008 peak 1673 weight 1.00000E+00 volume 8.21425E+03 ppm1 5.175 ppm2 8.836
ASSI { 1674}
(( segid " A" and resid 37 and name HN ))
(( segid " A" and resid 36 and name HB2 ))
3.738 1.869 1.869 peak 1674 weight 1.00000E+00 volume 3.11932E+04 ppm1 3.021 ppm2 9.300
ASSI { 1675}
(( segid " A" and resid 54 and name HN ))
(( segid " A" and resid 36 and name HB2 ))
5.085 2.543 2.543 peak 1675 weight 1.00000E+00 volume 1.90962E+04 ppm1 3.006 ppm2 9.054
ASSI { 1676}
(( segid " A" and resid 38 and name HN ))
(( segid " A" and resid 36 and name HB2 ))
6.192 3.096 1.808 peak 1676 weight 1.00000E+00 volume 5.03775E+03 ppm1 3.020 ppm2 8.875
ASSI { 1677}
(( segid " A" and resid 28 and name HN ))
(( segid " A" and resid 36 and name HB2 ))
6.091 3.046 1.909 peak 1677 weight 1.00000E+00 volume 1.79248E+04 ppm1 3.021 ppm2 8.840
ASSI { 1678}
(( segid " A" and resid 36 and name HN ))
(( segid " A" and resid 36 and name HB2 ))
3.938 1.969 1.969 peak 1678 weight 1.00000E+00 volume 1.41922E+04 ppm1 3.021 ppm2 8.635
ASSI { 1680}
(( segid " A" and resid 37 and name HA ))
(( segid " A" and resid 36 and name HB2 ))
3.884 1.942 1.942 peak 1680 weight 1.00000E+00 volume 2.66696E+05 ppm1 3.019 ppm2 4.833
ASSI { 1681}
(( segid " A" and resid 55 and name HA ))
(( segid " A" and resid 36 and name HB2 ))
4.088 2.044 2.044 peak 1681 weight 1.00000E+00 volume 1.96049E+05 ppm1 3.015 ppm2 4.397
ASSI { 1684}
(( segid " A" and resid 36 and name HB2 ))
( segid " A" and resid 28 and name HG1#)
4.256 2.128 2.128 peak 1684 weight 1.00000E+00 volume 1.54116E+05 ppm1 3.020 ppm2 0.568
ASSI { 1685}
(( segid " A" and resid 36 and name HB2 ))
( segid " A" and resid 28 and name HG1#)
4.256 2.128 2.128 peak 1685 weight 1.00000E+00 volume 1.54116E+05 ppm1 3.020 ppm2 0.577
ASSI { 1686}
(( segid " A" and resid 37 and name HA ))
( segid " A" and resid 28 and name HG1#)
2.867 1.147 1.433 peak 1686 weight 1.00000E+00 volume 1.64915E+06 ppm1 4.833 ppm2 0.581
ASSI { 1687}
(( segid " A" and resid 37 and name HA ))
( segid " A" and resid 35 and name HB# )
4.280 2.140 2.140 peak 1687 weight 1.00000E+00 volume 1.48868E+05 ppm1 4.839 ppm2 1.439
ASSI { 1688}
(( segid " A" and resid 37 and name HA ))
(( segid " A" and resid 37 and name HB ))
3.490 1.745 1.745 peak 1688 weight 1.00000E+00 volume 5.06268E+05 ppm1 4.833 ppm2 1.670
ASSI { 1689}
(( segid " A" and resid 37 and name HA ))
(( segid " A" and resid 37 and name HB ))
3.463 1.731 1.731 peak 1689 weight 1.00000E+00 volume 5.31255E+05 ppm1 4.832 ppm2 1.693
ASSI { 1691}
(( segid " A" and resid 37 and name HA ))
(( segid " A" and resid 27 and name HB2 ))
3.817 1.908 1.908 peak 1691 weight 1.00000E+00 volume 2.96111E+05 ppm1 4.832 ppm2 2.963
ASSI { 1692}
(( segid " A" and resid 37 and name HA ))
(( segid " A" and resid 36 and name HB2 ))
3.841 1.920 1.920 peak 1692 weight 1.00000E+00 volume 1.99456E+04 ppm1 4.835 ppm2 2.983
ASSI { 1693}
(( segid " A" and resid 26 and name HN ))
(( segid " A" and resid 37 and name HA ))
3.944 1.972 1.972 peak 1693 weight 1.00000E+00 volume 9.19162E+03 ppm1 4.835 ppm2 8.719
ASSI { 1694}
(( segid " A" and resid 28 and name HN ))
(( segid " A" and resid 37 and name HA ))
3.121 1.401 1.561 peak 1694 weight 1.00000E+00 volume 4.85934E+04 ppm1 4.835 ppm2 8.835
ASSI { 1696}
(( segid " A" and resid 54 and name HN ))
(( segid " A" and resid 37 and name HA ))
4.339 2.170 2.170 peak 1696 weight 1.00000E+00 volume 6.77625E+03 ppm1 4.830 ppm2 9.051
ASSI { 1697}
(( segid " A" and resid 37 and name HN ))
(( segid " A" and resid 37 and name HA ))
3.989 1.994 1.994 peak 1697 weight 1.00000E+00 volume 2.27269E+05 ppm1 4.837 ppm2 9.313
ASSI { 1698}
(( segid " A" and resid 54 and name HN ))
(( segid " A" and resid 37 and name HB ))
4.055 2.027 2.027 peak 1698 weight 1.00000E+00 volume 2.05989E+05 ppm1 1.669 ppm2 9.057
ASSI { 1699}
(( segid " A" and resid 38 and name HN ))
(( segid " A" and resid 37 and name HB ))
3.801 1.901 1.901 peak 1699 weight 1.00000E+00 volume 3.03438E+05 ppm1 1.667 ppm2 8.881
ASSI { 1700}
( segid " A" and resid 7 and name HD# )
(( segid " A" and resid 37 and name HB ))
7.115 3.557 0.885 peak 1700 weight 1.00000E+00 volume 7.05775E+03 ppm1 1.675 ppm2 6.733
ASSI { 1701}
(( segid " A" and resid 36 and name HA ))
(( segid " A" and resid 37 and name HB ))
3.683 1.842 1.842 peak 1701 weight 1.00000E+00 volume 2.55894E+04 ppm1 1.672 ppm2 5.174
ASSI { 1702}
(( segid " A" and resid 38 and name HA ))
(( segid " A" and resid 37 and name HB ))
3.519 1.760 1.760 peak 1702 weight 1.00000E+00 volume 1.92266E+04 ppm1 1.668 ppm2 4.906
ASSI { 1703}
(( segid " A" and resid 37 and name HA ))
(( segid " A" and resid 37 and name HB ))
3.245 1.525 1.622 peak 1703 weight 1.00000E+00 volume 3.22942E+04 ppm1 1.670 ppm2 4.834
ASSI { 1706}
( segid " A" and resid 37 and name HG1#)
(( segid " A" and resid 37 and name HB ))
2.282 0.562 1.141 peak 1706 weight 1.00000E+00 volume 6.49070E+06 ppm1 1.668 ppm2 0.568
ASSI { 1707}
( segid " A" and resid 4 and name HG2#)
(( segid " A" and resid 37 and name HB ))
5.556 2.778 2.444 peak 1707 weight 1.00000E+00 volume 6.37875E+03 ppm1 1.661 ppm2 0.214
ASSI { 1708}
( segid " A" and resid 54 and name HD# )
(( segid " A" and resid 38 and name HA ))
3.932 1.966 1.966 peak 1708 weight 1.00000E+00 volume 1.13076E+04 ppm1 4.901 ppm2 7.044
ASSI { 1709}
(( segid " A" and resid 38 and name HN ))
(( segid " A" and resid 38 and name HA ))
3.416 1.696 1.708 peak 1709 weight 1.00000E+00 volume 2.29638E+04 ppm1 4.910 ppm2 8.878
ASSI { 1710}
(( segid " A" and resid 54 and name HN ))
(( segid " A" and resid 38 and name HA ))
3.039 1.319 1.520 peak 1710 weight 1.00000E+00 volume 1.16177E+06 ppm1 4.906 ppm2 9.050
ASSI { 1711}
(( segid " A" and resid 37 and name HN ))
(( segid " A" and resid 38 and name HA ))
4.972 2.486 2.486 peak 1711 weight 1.00000E+00 volume 6.06041E+04 ppm1 4.893 ppm2 9.306
ASSI { 1713}
(( segid " A" and resid 38 and name HA ))
(( segid " A" and resid 38 and name HB1 ))
3.306 1.586 1.653 peak 1713 weight 1.00000E+00 volume 7.01538E+05 ppm1 4.894 ppm2 1.667
ASSI { 1715}
(( segid " A" and resid 38 and name HB1 ))
( segid " A" and resid 28 and name HG1#)
3.334 1.614 1.667 peak 1715 weight 1.00000E+00 volume 3.69210E+04 ppm1 1.697 ppm2 0.582
ASSI { 1718}
(( segid " A" and resid 37 and name HA ))
(( segid " A" and resid 38 and name HB1 ))
3.680 1.840 1.840 peak 1718 weight 1.00000E+00 volume 3.68711E+05 ppm1 1.693 ppm2 4.836
ASSI { 1719}
(( segid " A" and resid 38 and name HA ))
(( segid " A" and resid 38 and name HB1 ))
3.570 1.785 1.785 peak 1719 weight 1.00000E+00 volume 2.68936E+04 ppm1 1.692 ppm2 4.906
ASSI { 1720}
(( segid " A" and resid 38 and name HA ))
(( segid " A" and resid 38 and name HB2 ))
3.051 1.331 1.526 peak 1720 weight 1.00000E+00 volume 1.13486E+06 ppm1 1.895 ppm2 4.905
ASSI { 1721}
(( segid " A" and resid 53 and name HA ))
(( segid " A" and resid 38 and name HB1 ))
4.012 2.006 2.006 peak 1721 weight 1.00000E+00 volume 2.19513E+05 ppm1 1.694 ppm2 5.187
ASSI { 1722}
(( segid " A" and resid 53 and name HA ))
(( segid " A" and resid 38 and name HB1 ))
4.378 2.189 2.189 peak 1722 weight 1.00000E+00 volume 1.30014E+05 ppm1 1.694 ppm2 5.206
ASSI { 1724}
(( segid " A" and resid 38 and name HN ))
(( segid " A" and resid 38 and name HB1 ))
3.677 1.838 1.838 peak 1724 weight 1.00000E+00 volume 3.70560E+05 ppm1 1.692 ppm2 8.841
ASSI { 1725}
(( segid " A" and resid 38 and name HN ))
(( segid " A" and resid 38 and name HB1 ))
3.480 1.740 1.740 peak 1725 weight 1.00000E+00 volume 5.15466E+05 ppm1 1.692 ppm2 8.880
ASSI { 1726}
(( segid " A" and resid 39 and name HN ))
(( segid " A" and resid 38 and name HB1 ))
3.974 1.987 1.987 peak 1726 weight 1.00000E+00 volume 2.32405E+05 ppm1 1.690 ppm2 8.987
ASSI { 1727}
(( segid " A" and resid 39 and name HN ))
(( segid " A" and resid 39 and name HA ))
3.598 1.799 1.799 peak 1727 weight 1.00000E+00 volume 2.49940E+04 ppm1 5.372 ppm2 8.987
ASSI { 1728}
(( segid " A" and resid 26 and name HN ))
(( segid " A" and resid 39 and name HA ))
3.639 1.820 1.820 peak 1728 weight 1.00000E+00 volume 2.21194E+04 ppm1 5.375 ppm2 8.716
ASSI { 1729}
(( segid " A" and resid 39 and name HA ))
(( segid " A" and resid 25 and name HN ))
5.817 2.909 2.183 peak 1729 weight 1.00000E+00 volume 6.13800E+03 ppm1 5.398 ppm2 8.147
ASSI { 1730}
(( segid " A" and resid 24 and name HN ))
(( segid " A" and resid 39 and name HA ))
4.278 2.139 2.139 peak 1730 weight 1.00000E+00 volume 5.61125E+03 ppm1 5.383 ppm2 7.996
ASSI { 1731}
(( segid " A" and resid 39 and name HA ))
(( segid " A" and resid 25 and name HA ))
2.962 1.242 1.481 peak 1731 weight 1.00000E+00 volume 1.35430E+06 ppm1 5.380 ppm2 5.451
ASSI { 1732}
(( segid " A" and resid 39 and name HA ))
(( segid " A" and resid 38 and name HA ))
4.435 2.217 2.217 peak 1732 weight 1.00000E+00 volume 1.20313E+05 ppm1 5.382 ppm2 4.909
ASSI { 1733}
(( segid " A" and resid 39 and name HA ))
(( segid " A" and resid 40 and name HA ))
3.322 1.602 1.661 peak 1733 weight 1.00000E+00 volume 1.98992E+04 ppm1 5.383 ppm2 4.750
ASSI { 1734}
(( segid " A" and resid 39 and name HA ))
(( segid " A" and resid 25 and name HB2 ))
4.304 2.152 2.152 peak 1734 weight 1.00000E+00 volume 7.27125E+03 ppm1 5.387 ppm2 3.182
ASSI { 1735}
(( segid " A" and resid 39 and name HA ))
(( segid " A" and resid 38 and name HB2 ))
4.109 2.054 2.054 peak 1735 weight 1.00000E+00 volume 8.94788E+03 ppm1 5.382 ppm2 1.898
ASSI { 1736}
(( segid " A" and resid 39 and name HA ))
(( segid " A" and resid 40 and name HB2 ))
4.002 2.001 2.001 peak 1736 weight 1.00000E+00 volume 1.92356E+04 ppm1 5.386 ppm2 1.595
ASSI { 1737}
(( segid " A" and resid 39 and name HA ))
( segid " A" and resid 22 and name HG1#)
3.547 1.774 1.774 peak 1737 weight 1.00000E+00 volume 2.03041E+04 ppm1 5.385 ppm2 0.700
ASSI { 1738}
(( segid " A" and resid 39 and name HA ))
( segid " A" and resid 37 and name HG1#)
4.308 2.154 2.154 peak 1738 weight 1.00000E+00 volume 9.05638E+03 ppm1 5.383 ppm2 0.570
ASSI { 1739}
(( segid " A" and resid 39 and name HB2 ))
( segid " A" and resid 37 and name HG1#)
3.392 1.672 1.696 peak 1739 weight 1.00000E+00 volume 3.58509E+04 ppm1 3.913 ppm2 0.570
ASSI { 1740}
(( segid " A" and resid 39 and name HB2 ))
( segid " A" and resid 22 and name HG1#)
3.239 1.519 1.620 peak 1740 weight 1.00000E+00 volume 4.58080E+04 ppm1 3.915 ppm2 0.704
ASSI { 1741}
(( segid " A" and resid 39 and name HB2 ))
( segid " A" and resid 41 and name HD1#)
3.834 1.917 1.917 peak 1741 weight 1.00000E+00 volume 1.63329E+04 ppm1 3.918 ppm2 0.792
ASSI { 1743}
(( segid " A" and resid 39 and name HB2 ))
(( segid " A" and resid 25 and name HB2 ))
3.686 1.843 1.843 peak 1743 weight 1.00000E+00 volume 3.65022E+05 ppm1 3.908 ppm2 3.185
ASSI { 1747}
(( segid " A" and resid 39 and name HB2 ))
(( segid " A" and resid 25 and name HA ))
3.471 1.735 1.735 peak 1747 weight 1.00000E+00 volume 5.23677E+05 ppm1 3.914 ppm2 5.449
ASSI { 1748}
(( segid " A" and resid 39 and name HB2 ))
( segid " A" and resid 7 and name HE# )
4.003 2.002 2.002 peak 1748 weight 1.00000E+00 volume 9.10688E+03 ppm1 3.911 ppm2 6.579
ASSI { 1749}
( segid " A" and resid 54 and name HD# )
(( segid " A" and resid 39 and name HB2 ))
4.950 2.475 2.475 peak 1749 weight 1.00000E+00 volume 1.12979E+04 ppm1 3.911 ppm2 7.040
ASSI { 1753}
(( segid " A" and resid 41 and name HN ))
(( segid " A" and resid 40 and name HA ))
3.830 1.915 1.915 peak 1753 weight 1.00000E+00 volume 2.89941E+05 ppm1 4.755 ppm2 9.010
ASSI { 1754}
(( segid " A" and resid 51 and name HN ))
(( segid " A" and resid 40 and name HA ))
3.704 1.852 1.852 peak 1754 weight 1.00000E+00 volume 3.54424E+05 ppm1 4.748 ppm2 8.604
ASSI { 1755}
(( segid " A" and resid 52 and name HN ))
(( segid " A" and resid 40 and name HA ))
3.515 1.757 1.757 peak 1755 weight 1.00000E+00 volume 4.85749E+05 ppm1 4.746 ppm2 8.555
ASSI { 1756}
(( segid " A" and resid 40 and name HN ))
(( segid " A" and resid 40 and name HA ))
3.593 1.797 1.797 peak 1756 weight 1.00000E+00 volume 4.25339E+05 ppm1 4.750 ppm2 8.596
ASSI { 1757}
(( segid " A" and resid 24 and name HN ))
(( segid " A" and resid 40 and name HA ))
4.765 2.383 2.383 peak 1757 weight 1.00000E+00 volume 7.82018E+04 ppm1 4.743 ppm2 7.999
ASSI { 1759}
(( segid " A" and resid 41 and name HA ))
(( segid " A" and resid 40 and name HA ))
3.981 1.990 1.990 peak 1759 weight 1.00000E+00 volume -2.30040E+05 ppm1 4.744 ppm2 5.338
ASSI { 1761}
(( segid " A" and resid 51 and name HA ))
(( segid " A" and resid 40 and name HA ))
3.735 1.867 1.867 peak 1761 weight 1.00000E+00 volume -3.37355E+05 ppm1 4.746 ppm2 5.185
ASSI { 1764}
(( segid " A" and resid 51 and name HB1 ))
(( segid " A" and resid 40 and name HA ))
3.647 1.823 1.823 peak 1764 weight 1.00000E+00 volume 2.82038E+04 ppm1 4.745 ppm2 1.890
ASSI { 1765}
(( segid " A" and resid 51 and name HB2 ))
(( segid " A" and resid 40 and name HA ))
3.249 1.529 1.624 peak 1765 weight 1.00000E+00 volume 3.26710E+04 ppm1 4.745 ppm2 1.739
ASSI { 1766}
(( segid " A" and resid 40 and name HA ))
(( segid " A" and resid 40 and name HB2 ))
4.013 2.007 2.007 peak 1766 weight 1.00000E+00 volume 4.65462E+03 ppm1 4.746 ppm2 1.586
ASSI { 1767}
(( segid " A" and resid 40 and name HA ))
( segid " A" and resid 41 and name HD1#)
3.586 1.793 1.793 peak 1767 weight 1.00000E+00 volume 4.30722E+05 ppm1 4.752 ppm2 0.792
ASSI { 1770}
(( segid " A" and resid 40 and name HB2 ))
(( segid " A" and resid 24 and name HB2 ))
4.854 2.427 2.427 peak 1770 weight 1.00000E+00 volume 7.00111E+04 ppm1 1.593 ppm2 2.796
ASSI { 1771}
(( segid " A" and resid 40 and name HA ))
(( segid " A" and resid 40 and name HB2 ))
2.909 1.189 1.455 peak 1771 weight 1.00000E+00 volume 7.19252E+04 ppm1 1.595 ppm2 4.745
ASSI { 1773}
(( segid " A" and resid 51 and name HA ))
(( segid " A" and resid 40 and name HB2 ))
4.082 2.041 2.041 peak 1773 weight 1.00000E+00 volume 3.73625E+02 ppm1 1.594 ppm2 5.184
ASSI { 1775}
(( segid " A" and resid 39 and name HA ))
(( segid " A" and resid 40 and name HB2 ))
3.679 1.839 1.839 peak 1775 weight 1.00000E+00 volume 3.69306E+05 ppm1 1.595 ppm2 5.387
ASSI { 1776}
(( segid " A" and resid 24 and name HN ))
(( segid " A" and resid 40 and name HB2 ))
3.840 1.920 1.920 peak 1776 weight 1.00000E+00 volume 2.85444E+05 ppm1 1.595 ppm2 7.998
ASSI { 1777}
(( segid " A" and resid 41 and name HN ))
(( segid " A" and resid 40 and name HB2 ))
3.710 1.855 1.855 peak 1777 weight 1.00000E+00 volume 3.51032E+05 ppm1 1.593 ppm2 9.012
ASSI { 1778}
(( segid " A" and resid 23 and name HN ))
(( segid " A" and resid 40 and name HB2 ))
3.619 1.810 1.810 peak 1778 weight 1.00000E+00 volume 4.07175E+05 ppm1 1.593 ppm2 9.090
ASSI { 1781}
(( segid " A" and resid 41 and name HN ))
(( segid " A" and resid 41 and name HA ))
3.513 1.756 1.756 peak 1781 weight 1.00000E+00 volume 4.87113E+05 ppm1 5.328 ppm2 9.014
ASSI { 1783}
(( segid " A" and resid 40 and name HN ))
(( segid " A" and resid 41 and name HA ))
8.000 4.000 0.000 peak 1783 weight 1.00000E+00 volume -8.22500E+02 ppm1 5.326 ppm2 8.599
ASSI { 1784}
(( segid " A" and resid 24 and name HN ))
(( segid " A" and resid 41 and name HA ))
4.803 2.401 2.401 peak 1784 weight 1.00000E+00 volume 7.46066E+04 ppm1 5.328 ppm2 7.998
ASSI { 1785}
(( segid " A" and resid 41 and name HA ))
(( segid " A" and resid 40 and name HA ))
3.398 1.678 1.699 peak 1785 weight 1.00000E+00 volume 5.95189E+05 ppm1 5.329 ppm2 4.747
ASSI { 1787}
(( segid " A" and resid 41 and name HA ))
(( segid " A" and resid 22 and name HA ))
3.866 1.933 1.933 peak 1787 weight 1.00000E+00 volume 2.20726E+04 ppm1 5.328 ppm2 3.994
ASSI { 1788}
(( segid " A" and resid 41 and name HA ))
(( segid " A" and resid 23 and name HB ))
6.901 3.451 1.099 peak 1788 weight 1.00000E+00 volume 4.08550E+03 ppm1 5.327 ppm2 1.916
ASSI { 1789}
(( segid " A" and resid 41 and name HA ))
(( segid " A" and resid 42 and name HB2 ))
4.147 2.074 2.074 peak 1789 weight 1.00000E+00 volume 1.79938E+05 ppm1 5.328 ppm2 1.811
ASSI { 1790}
(( segid " A" and resid 41 and name HA ))
(( segid " A" and resid 41 and name HB2 ))
3.329 1.609 1.665 peak 1790 weight 1.00000E+00 volume 6.72187E+05 ppm1 5.328 ppm2 1.595
ASSI { 1791}
(( segid " A" and resid 41 and name HA ))
(( segid " A" and resid 23 and name HG11))
3.624 1.812 1.812 peak 1791 weight 1.00000E+00 volume 4.04392E+05 ppm1 5.328 ppm2 1.365
ASSI { 1792}
(( segid " A" and resid 41 and name HA ))
(( segid " A" and resid 23 and name HG12))
3.812 1.906 1.906 peak 1792 weight 1.00000E+00 volume 2.98561E+05 ppm1 5.328 ppm2 1.259
ASSI { 1793}
(( segid " A" and resid 41 and name HA ))
( segid " A" and resid 41 and name HD1#)
3.420 1.700 1.710 peak 1793 weight 1.00000E+00 volume 5.72166E+05 ppm1 5.329 ppm2 0.836
ASSI { 1794}
(( segid " A" and resid 41 and name HA ))
( segid " A" and resid 41 and name HD1#)
3.191 1.471 1.596 peak 1794 weight 1.00000E+00 volume 8.66384E+05 ppm1 5.327 ppm2 0.791
ASSI { 1795}
(( segid " A" and resid 41 and name HA ))
( segid " A" and resid 22 and name HG1#)
3.097 1.377 1.549 peak 1795 weight 1.00000E+00 volume 1.03706E+06 ppm1 5.328 ppm2 0.700
ASSI { 1796}
(( segid " A" and resid 41 and name HB2 ))
( segid " A" and resid 22 and name HG2#)
4.373 2.187 2.187 peak 1796 weight 1.00000E+00 volume 1.30878E+05 ppm1 1.583 ppm2 0.333
ASSI { 1798}
(( segid " A" and resid 41 and name HB2 ))
( segid " A" and resid 41 and name HD1#)
3.646 1.823 1.823 peak 1798 weight 1.00000E+00 volume 2.13585E+04 ppm1 1.585 ppm2 0.790
ASSI { 1800}
(( segid " A" and resid 41 and name HB2 ))
(( segid " A" and resid 22 and name HB ))
5.840 2.920 2.160 peak 1800 weight 1.00000E+00 volume -2.30688E+04 ppm1 1.577 ppm2 2.166
ASSI { 1802}
(( segid " A" and resid 41 and name HB2 ))
(( segid " A" and resid 21 and name HA ))
4.339 2.170 2.170 peak 1802 weight 1.00000E+00 volume 1.37182E+05 ppm1 1.590 ppm2 5.236
ASSI { 1803}
(( segid " A" and resid 41 and name HA ))
(( segid " A" and resid 41 and name HB2 ))
4.041 2.021 2.021 peak 1803 weight 1.00000E+00 volume 5.91662E+03 ppm1 1.588 ppm2 5.319
ASSI { 1804}
(( segid " A" and resid 20 and name HA ))
(( segid " A" and resid 41 and name HB2 ))
4.638 2.319 2.319 peak 1804 weight 1.00000E+00 volume 7.12550E+03 ppm1 1.581 ppm2 5.541
ASSI { 1808}
(( segid " A" and resid 22 and name HN ))
(( segid " A" and resid 41 and name HB2 ))
4.018 2.009 2.009 peak 1808 weight 1.00000E+00 volume 9.47762E+03 ppm1 1.587 ppm2 8.918
ASSI { 1809}
(( segid " A" and resid 41 and name HN ))
(( segid " A" and resid 41 and name HB2 ))
3.857 1.928 1.928 peak 1809 weight 1.00000E+00 volume 1.29935E+04 ppm1 1.581 ppm2 9.013
ASSI { 1810}
(( segid " A" and resid 23 and name HN ))
(( segid " A" and resid 41 and name HB2 ))
4.749 2.375 2.375 peak 1810 weight 1.00000E+00 volume 6.40525E+03 ppm1 1.584 ppm2 9.090
ASSI { 1811}
(( segid " A" and resid 21 and name HN ))
(( segid " A" and resid 41 and name HB2 ))
4.300 2.150 2.150 peak 1811 weight 1.00000E+00 volume 6.05125E+03 ppm1 1.576 ppm2 9.277
ASSI { 1812}
(( segid " A" and resid 42 and name HN ))
(( segid " A" and resid 41 and name HB2 ))
4.819 2.410 2.410 peak 1812 weight 1.00000E+00 volume 5.30925E+03 ppm1 1.598 ppm2 9.349
ASSI { 1813}
(( segid " A" and resid 50 and name HN ))
(( segid " A" and resid 42 and name HA ))
3.218 1.498 1.609 peak 1813 weight 1.00000E+00 volume 2.80825E+04 ppm1 5.346 ppm2 9.288
ASSI { 1815}
(( segid " A" and resid 41 and name HN ))
(( segid " A" and resid 42 and name HA ))
3.417 1.697 1.709 peak 1815 weight 1.00000E+00 volume 1.82521E+04 ppm1 5.346 ppm2 9.012
ASSI { 1816}
(( segid " A" and resid 42 and name HA ))
(( segid " A" and resid 43 and name HA ))
4.676 2.338 2.338 peak 1816 weight 1.00000E+00 volume 9.68812E+03 ppm1 5.348 ppm2 3.927
ASSI { 1818}
(( segid " A" and resid 42 and name HA ))
(( segid " A" and resid 42 and name HB2 ))
3.446 1.723 1.723 peak 1818 weight 1.00000E+00 volume 5.46571E+05 ppm1 5.352 ppm2 1.808
ASSI { 1819}
(( segid " A" and resid 42 and name HA ))
(( segid " A" and resid 41 and name HB2 ))
3.290 1.570 1.645 peak 1819 weight 1.00000E+00 volume 7.22440E+05 ppm1 5.348 ppm2 1.587
ASSI { 1820}
(( segid " A" and resid 42 and name HA ))
(( segid " A" and resid 23 and name HG12))
3.461 1.731 1.731 peak 1820 weight 1.00000E+00 volume 2.21102E+04 ppm1 5.348 ppm2 1.259
ASSI { 1822}
( segid " A" and resid 49 and name HD1#)
(( segid " A" and resid 42 and name HB2 ))
3.048 1.328 1.524 peak 1822 weight 1.00000E+00 volume 1.14128E+06 ppm1 1.808 ppm2 0.836
ASSI { 1823}
(( segid " A" and resid 42 and name HB2 ))
(( segid " A" and resid 23 and name HG12))
2.745 1.025 1.372 peak 1823 weight 1.00000E+00 volume 2.14036E+06 ppm1 1.809 ppm2 1.259
ASSI { 1825}
(( segid " A" and resid 42 and name HA ))
(( segid " A" and resid 42 and name HB2 ))
4.384 2.192 2.192 peak 1825 weight 1.00000E+00 volume 1.28891E+05 ppm1 1.810 ppm2 5.346
ASSI { 1826}
(( segid " A" and resid 49 and name HA ))
(( segid " A" and resid 42 and name HB2 ))
5.173 2.586 2.586 peak 1826 weight 1.00000E+00 volume 4.77868E+04 ppm1 1.810 ppm2 5.410
ASSI { 1827}
(( segid " A" and resid 21 and name HN ))
(( segid " A" and resid 42 and name HB2 ))
4.982 2.491 2.491 peak 1827 weight 1.00000E+00 volume 2.86084E+04 ppm1 1.809 ppm2 9.273
ASSI { 1828}
(( segid " A" and resid 42 and name HN ))
(( segid " A" and resid 42 and name HB2 ))
4.515 2.258 2.258 peak 1828 weight 1.00000E+00 volume 2.34620E+04 ppm1 1.810 ppm2 9.348
ASSI { 1829}
(( segid " A" and resid 43 and name HN ))
(( segid " A" and resid 43 and name HA ))
3.857 1.929 1.929 peak 1829 weight 1.00000E+00 volume 1.59661E+04 ppm1 3.925 ppm2 9.729
ASSI { 1830}
(( segid " A" and resid 44 and name HN ))
(( segid " A" and resid 43 and name HA ))
3.255 1.535 1.628 peak 1830 weight 1.00000E+00 volume 5.98444E+04 ppm1 3.924 ppm2 8.369
ASSI { 1831}
(( segid " A" and resid 47 and name HN ))
(( segid " A" and resid 43 and name HA ))
3.496 1.748 1.748 peak 1831 weight 1.00000E+00 volume 5.01768E+05 ppm1 3.928 ppm2 8.316
ASSI { 1832}
(( segid " A" and resid 45 and name HN ))
(( segid " A" and resid 43 and name HA ))
4.508 2.254 2.254 peak 1832 weight 1.00000E+00 volume 9.82400E+03 ppm1 3.925 ppm2 8.205
ASSI { 1833}
(( segid " A" and resid 42 and name HA ))
(( segid " A" and resid 43 and name HA ))
4.192 2.096 2.096 peak 1833 weight 1.00000E+00 volume 1.37975E+04 ppm1 3.921 ppm2 5.349
ASSI { 1835}
(( segid " A" and resid 43 and name HB2 ))
(( segid " A" and resid 43 and name HA ))
4.106 2.053 2.053 peak 1835 weight 1.00000E+00 volume 1.46168E+04 ppm1 3.921 ppm2 2.908
ASSI { 1836}
(( segid " A" and resid 44 and name HB2 ))
(( segid " A" and resid 43 and name HA ))
3.602 1.801 1.801 peak 1836 weight 1.00000E+00 volume 2.17022E+04 ppm1 3.921 ppm2 1.470
ASSI { 1837}
( segid " A" and resid 18 and name HB# )
(( segid " A" and resid 43 and name HA ))
4.531 2.266 2.266 peak 1837 weight 1.00000E+00 volume 1.04010E+04 ppm1 3.922 ppm2 1.121
ASSI { 1840}
( segid " A" and resid 46 and name HG2#)
(( segid " A" and resid 43 and name HB2 ))
4.218 2.109 2.109 peak 1840 weight 1.00000E+00 volume 1.62613E+05 ppm1 2.906 ppm2 1.063
ASSI { 1841}
(( segid " A" and resid 43 and name HB2 ))
( segid " A" and resid 18 and name HB# )
4.412 2.206 2.206 peak 1841 weight 1.00000E+00 volume 1.24117E+05 ppm1 2.910 ppm2 1.120
ASSI { 1842}
( segid " A" and resid 48 and name HB# )
(( segid " A" and resid 43 and name HB2 ))
3.596 1.798 1.798 peak 1842 weight 1.00000E+00 volume 4.23218E+05 ppm1 2.906 ppm2 1.400
ASSI { 1843}
(( segid " A" and resid 43 and name HB2 ))
(( segid " A" and resid 43 and name HA ))
4.121 2.061 2.061 peak 1843 weight 1.00000E+00 volume -1.86831E+05 ppm1 2.901 ppm2 3.923
ASSI { 1844}
(( segid " A" and resid 46 and name HN ))
(( segid " A" and resid 43 and name HB2 ))
6.377 3.188 1.623 peak 1844 weight 1.00000E+00 volume 1.11226E+04 ppm1 2.904 ppm2 7.296
ASSI { 1845}
(( segid " A" and resid 48 and name HN ))
(( segid " A" and resid 43 and name HB2 ))
5.106 2.553 2.553 peak 1845 weight 1.00000E+00 volume 8.20450E+03 ppm1 2.904 ppm2 7.530
ASSI { 1846}
(( segid " A" and resid 47 and name HN ))
(( segid " A" and resid 43 and name HB2 ))
6.257 3.129 1.743 peak 1846 weight 1.00000E+00 volume -1.52524E+04 ppm1 2.904 ppm2 8.317
ASSI { 1847}
(( segid " A" and resid 44 and name HN ))
(( segid " A" and resid 43 and name HB2 ))
4.054 2.027 2.027 peak 1847 weight 1.00000E+00 volume 2.06154E+05 ppm1 2.906 ppm2 8.365
ASSI { 1849}
(( segid " A" and resid 47 and name HN ))
(( segid " A" and resid 44 and name HA ))
3.736 1.868 1.868 peak 1849 weight 1.00000E+00 volume 2.48652E+04 ppm1 4.006 ppm2 8.316
ASSI { 1850}
(( segid " A" and resid 45 and name HN ))
(( segid " A" and resid 44 and name HA ))
4.640 2.320 2.320 peak 1850 weight 1.00000E+00 volume 7.27738E+03 ppm1 4.005 ppm2 8.208
ASSI { 1852}
(( segid " A" and resid 44 and name HA ))
(( segid " A" and resid 44 and name HB2 ))
3.215 1.495 1.608 peak 1852 weight 1.00000E+00 volume 4.51962E+04 ppm1 4.000 ppm2 1.474
ASSI { 1853}
(( segid " A" and resid 44 and name HB2 ))
( segid " A" and resid 19 and name HD1#)
2.947 1.227 1.473 peak 1853 weight 1.00000E+00 volume 5.95174E+04 ppm1 1.469 ppm2 0.716
ASSI { 1854}
(( segid " A" and resid 44 and name HB2 ))
( segid " A" and resid 44 and name HD1#)
2.924 1.204 1.462 peak 1854 weight 1.00000E+00 volume 6.61271E+04 ppm1 1.472 ppm2 0.789
ASSI { 1855}
(( segid " A" and resid 44 and name HB2 ))
(( segid " A" and resid 19 and name HB ))
3.155 1.435 1.577 peak 1855 weight 1.00000E+00 volume 3.78008E+04 ppm1 1.471 ppm2 1.772
ASSI { 1856}
(( segid " A" and resid 44 and name HA ))
(( segid " A" and resid 44 and name HB2 ))
3.896 1.948 1.948 peak 1856 weight 1.00000E+00 volume 1.60884E+04 ppm1 1.458 ppm2 3.995
ASSI { 1857}
(( segid " A" and resid 44 and name HB2 ))
(( segid " A" and resid 19 and name HN ))
4.926 2.463 2.463 peak 1857 weight 1.00000E+00 volume 5.98875E+03 ppm1 1.454 ppm2 7.517
ASSI { 1858}
(( segid " A" and resid 45 and name HN ))
(( segid " A" and resid 44 and name HB2 ))
8.000 4.000 0.000 peak 1858 weight 1.00000E+00 volume -2.50625E+03 ppm1 1.464 ppm2 8.211
ASSI { 1859}
(( segid " A" and resid 44 and name HN ))
(( segid " A" and resid 44 and name HB2 ))
4.022 2.011 2.011 peak 1859 weight 1.00000E+00 volume 2.16369E+05 ppm1 1.456 ppm2 8.361
ASSI { 1860}
(( segid " A" and resid 46 and name HN ))
(( segid " A" and resid 45 and name HA ))
3.681 1.840 1.840 peak 1860 weight 1.00000E+00 volume 3.04091E+04 ppm1 4.455 ppm2 7.300
ASSI { 1861}
(( segid " A" and resid 45 and name HA ))
(( segid " A" and resid 45 and name HB2 ))
3.013 1.293 1.507 peak 1861 weight 1.00000E+00 volume 7.94491E+04 ppm1 4.456 ppm2 1.799
ASSI { 1862}
( segid " A" and resid 46 and name HG2#)
(( segid " A" and resid 45 and name HB2 ))
4.045 2.023 2.023 peak 1862 weight 1.00000E+00 volume 2.08926E+05 ppm1 1.796 ppm2 1.063
ASSI { 1863}
(( segid " A" and resid 45 and name HB2 ))
( segid " A" and resid 18 and name HB# )
4.458 2.229 2.229 peak 1863 weight 1.00000E+00 volume 1.16654E+05 ppm1 1.796 ppm2 1.119
ASSI { 1864}
(( segid " A" and resid 45 and name HA ))
(( segid " A" and resid 45 and name HB2 ))
3.069 1.349 1.535 peak 1864 weight 1.00000E+00 volume 1.09509E+06 ppm1 1.796 ppm2 4.455
ASSI { 1866}
(( segid " A" and resid 46 and name HN ))
(( segid " A" and resid 45 and name HB2 ))
4.112 2.056 2.056 peak 1866 weight 1.00000E+00 volume 8.93738E+03 ppm1 1.784 ppm2 7.295
ASSI { 1867}
(( segid " A" and resid 45 and name HB2 ))
(( segid " A" and resid 19 and name HN ))
4.430 2.215 2.215 peak 1867 weight 1.00000E+00 volume 8.16375E+03 ppm1 1.790 ppm2 7.533
ASSI { 1869}
(( segid " A" and resid 47 and name HN ))
(( segid " A" and resid 46 and name HA ))
4.797 2.398 2.398 peak 1869 weight 1.00000E+00 volume 7.51745E+04 ppm1 4.435 ppm2 8.316
ASSI { 1870}
(( segid " A" and resid 46 and name HN ))
(( segid " A" and resid 46 and name HA ))
4.205 2.102 2.102 peak 1870 weight 1.00000E+00 volume 1.65661E+05 ppm1 4.435 ppm2 7.298
ASSI { 1871}
(( segid " A" and resid 46 and name HA ))
( segid " A" and resid 46 and name HG2#)
2.649 0.929 1.325 peak 1871 weight 1.00000E+00 volume 1.02127E+05 ppm1 4.433 ppm2 1.065
ASSI { 1872}
(( segid " A" and resid 46 and name HN ))
(( segid " A" and resid 46 and name HB ))
4.039 2.020 2.020 peak 1872 weight 1.00000E+00 volume 1.60289E+04 ppm1 4.389 ppm2 7.298
ASSI { 1873}
(( segid " A" and resid 43 and name HN ))
( segid " A" and resid 46 and name HG2#)
4.339 2.169 2.169 peak 1873 weight 1.00000E+00 volume 1.37266E+05 ppm1 1.071 ppm2 9.725
ASSI { 1874}
(( segid " A" and resid 47 and name HN ))
( segid " A" and resid 46 and name HG2#)
3.823 1.912 1.912 peak 1874 weight 1.00000E+00 volume 7.73111E+04 ppm1 1.064 ppm2 8.318
ASSI { 1875}
(( segid " A" and resid 45 and name HN ))
( segid " A" and resid 46 and name HG2#)
3.506 1.753 1.753 peak 1875 weight 1.00000E+00 volume 1.65680E+04 ppm1 1.063 ppm2 8.202
ASSI { 1876}
(( segid " A" and resid 48 and name HN ))
( segid " A" and resid 46 and name HG2#)
3.457 1.728 1.728 peak 1876 weight 1.00000E+00 volume 2.84985E+04 ppm1 1.062 ppm2 7.524
ASSI { 1877}
(( segid " A" and resid 46 and name HN ))
( segid " A" and resid 46 and name HG2#)
2.830 1.110 1.415 peak 1877 weight 1.00000E+00 volume 1.52809E+05 ppm1 1.061 ppm2 7.297
ASSI { 1878}
( segid " A" and resid 46 and name HG2#)
(( segid " A" and resid 46 and name HB ))
2.209 0.489 1.104 peak 1878 weight 1.00000E+00 volume 4.31304E+05 ppm1 1.063 ppm2 4.439
ASSI { 1881}
( segid " A" and resid 46 and name HG2#)
(( segid " A" and resid 43 and name HB2 ))
4.124 2.062 2.062 peak 1881 weight 1.00000E+00 volume 7.67462E+03 ppm1 1.054 ppm2 2.907
ASSI { 1882}
( segid " A" and resid 46 and name HG2#)
(( segid " A" and resid 45 and name HB2 ))
2.836 1.116 1.418 peak 1882 weight 1.00000E+00 volume 1.20196E+05 ppm1 1.058 ppm2 1.801
ASSI { 1883}
(( segid " A" and resid 47 and name HA2 ))
( segid " A" and resid 46 and name HG2#)
4.345 2.173 2.173 peak 1883 weight 1.00000E+00 volume 7.64725E+03 ppm1 3.633 ppm2 1.063
ASSI { 1884}
(( segid " A" and resid 47 and name HA1 ))
( segid " A" and resid 46 and name HG2#)
4.502 2.251 2.251 peak 1884 weight 1.00000E+00 volume 9.29350E+03 ppm1 4.262 ppm2 1.062
ASSI { 1887}
(( segid " A" and resid 48 and name HN ))
(( segid " A" and resid 47 and name HA1 ))
4.234 2.117 2.117 peak 1887 weight 1.00000E+00 volume 1.58842E+05 ppm1 4.262 ppm2 7.521
ASSI { 1888}
(( segid " A" and resid 48 and name HN ))
(( segid " A" and resid 47 and name HA2 ))
4.134 2.067 2.067 peak 1888 weight 1.00000E+00 volume 1.83513E+05 ppm1 3.632 ppm2 7.520
ASSI { 1889}
( segid " A" and resid 48 and name HB# )
( segid " A" and resid 46 and name HG2#)
2.978 1.258 1.489 peak 1889 weight 1.00000E+00 volume 1.31363E+06 ppm1 1.402 ppm2 1.063
ASSI { 1891}
( segid " A" and resid 48 and name HB# )
(( segid " A" and resid 48 and name HA ))
2.315 0.595 1.158 peak 1891 weight 1.00000E+00 volume 5.94439E+06 ppm1 1.402 ppm2 4.264
ASSI { 1892}
(( segid " A" and resid 48 and name HN ))
( segid " A" and resid 48 and name HB# )
2.507 0.787 1.253 peak 1892 weight 1.00000E+00 volume 3.69068E+06 ppm1 1.397 ppm2 7.525
ASSI { 1893}
(( segid " A" and resid 49 and name HN ))
( segid " A" and resid 48 and name HB# )
2.677 0.957 1.338 peak 1893 weight 1.00000E+00 volume 2.48846E+06 ppm1 1.399 ppm2 8.424
ASSI { 1894}
(( segid " A" and resid 43 and name HN ))
(( segid " A" and resid 49 and name HA ))
5.086 2.543 2.543 peak 1894 weight 1.00000E+00 volume 5.28939E+04 ppm1 5.410 ppm2 9.726
ASSI { 1895}
(( segid " A" and resid 49 and name HA ))
(( segid " A" and resid 49 and name HN ))
3.848 1.924 1.924 peak 1895 weight 1.00000E+00 volume 2.82167E+05 ppm1 5.409 ppm2 8.427
ASSI { 1896}
( segid " A" and resid 49 and name HD1#)
(( segid " A" and resid 49 and name HB ))
2.285 0.565 1.143 peak 1896 weight 1.00000E+00 volume 6.42424E+06 ppm1 1.794 ppm2 0.835
ASSI { 1897}
(( segid " A" and resid 49 and name HA ))
(( segid " A" and resid 49 and name HB ))
3.413 1.693 1.707 peak 1897 weight 1.00000E+00 volume 4.01912E+04 ppm1 1.792 ppm2 5.412
ASSI { 1898}
(( segid " A" and resid 49 and name HN ))
(( segid " A" and resid 49 and name HB ))
3.018 1.298 1.509 peak 1898 weight 1.00000E+00 volume 5.31204E+04 ppm1 1.795 ppm2 8.424
ASSI { 1900}
( segid " A" and resid 49 and name HD1#)
(( segid " A" and resid 49 and name HN ))
3.456 1.728 1.728 peak 1900 weight 1.00000E+00 volume 5.15221E+04 ppm1 0.838 ppm2 8.424
ASSI { 1902}
(( segid " A" and resid 50 and name HA ))
(( segid " A" and resid 50 and name HB2 ))
2.805 1.085 1.402 peak 1902 weight 1.00000E+00 volume 1.87970E+06 ppm1 4.764 ppm2 1.862
ASSI { 1903}
(( segid " A" and resid 51 and name HN ))
(( segid " A" and resid 50 and name HA ))
3.345 1.625 1.672 peak 1903 weight 1.00000E+00 volume 3.81699E+04 ppm1 4.766 ppm2 8.608
ASSI { 1904}
(( segid " A" and resid 50 and name HN ))
(( segid " A" and resid 50 and name HA ))
4.091 2.046 2.046 peak 1904 weight 1.00000E+00 volume 6.79738E+03 ppm1 4.781 ppm2 9.312
ASSI { 1905}
(( segid " A" and resid 51 and name HA ))
(( segid " A" and resid 51 and name HB2 ))
3.089 1.369 1.545 peak 1905 weight 1.00000E+00 volume 4.53836E+04 ppm1 5.175 ppm2 1.739
ASSI { 1906}
(( segid " A" and resid 51 and name HA ))
(( segid " A" and resid 51 and name HB1 ))
2.815 1.095 1.408 peak 1906 weight 1.00000E+00 volume 1.83936E+06 ppm1 5.179 ppm2 1.890
ASSI { 1907}
(( segid " A" and resid 51 and name HA ))
(( segid " A" and resid 40 and name HA ))
2.678 0.958 1.339 peak 1907 weight 1.00000E+00 volume 2.48088E+06 ppm1 5.183 ppm2 4.749
ASSI { 1908}
(( segid " A" and resid 51 and name HA ))
(( segid " A" and resid 51 and name HN ))
2.882 1.162 1.441 peak 1908 weight 1.00000E+00 volume 1.59639E+06 ppm1 5.183 ppm2 8.604
ASSI { 1909}
(( segid " A" and resid 41 and name HN ))
(( segid " A" and resid 51 and name HA ))
2.800 1.080 1.400 peak 1909 weight 1.00000E+00 volume 9.18724E+04 ppm1 5.185 ppm2 9.012
ASSI { 1910}
(( segid " A" and resid 51 and name HN ))
(( segid " A" and resid 51 and name HB2 ))
3.824 1.912 1.912 peak 1910 weight 1.00000E+00 volume 1.41002E+04 ppm1 1.736 ppm2 8.602
ASSI { 1911}
(( segid " A" and resid 52 and name HN ))
(( segid " A" and resid 51 and name HB1 ))
3.953 1.976 1.976 peak 1911 weight 1.00000E+00 volume 6.39238E+03 ppm1 1.890 ppm2 8.554
ASSI { 1912}
(( segid " A" and resid 52 and name HN ))
(( segid " A" and resid 51 and name HB2 ))
4.282 2.141 2.141 peak 1912 weight 1.00000E+00 volume -1.48555E+05 ppm1 1.731 ppm2 8.556
ASSI { 1913}
(( segid " A" and resid 51 and name HN ))
(( segid " A" and resid 51 and name HB1 ))
4.048 2.024 2.024 peak 1913 weight 1.00000E+00 volume 2.08127E+05 ppm1 1.891 ppm2 8.602
ASSI { 1915}
(( segid " A" and resid 51 and name HA ))
(( segid " A" and resid 51 and name HB2 ))
3.721 1.860 1.860 peak 1915 weight 1.00000E+00 volume 2.10859E+04 ppm1 1.738 ppm2 5.182
ASSI { 1916}
(( segid " A" and resid 52 and name HA ))
(( segid " A" and resid 52 and name HB2 ))
2.913 1.193 1.457 peak 1916 weight 1.00000E+00 volume 3.65864E+04 ppm1 4.403 ppm2 1.916
ASSI { 1917}
(( segid " A" and resid 52 and name HN ))
(( segid " A" and resid 52 and name HA ))
3.623 1.812 1.812 peak 1917 weight 1.00000E+00 volume 1.78608E+04 ppm1 4.401 ppm2 8.556
ASSI { 1918}
(( segid " A" and resid 52 and name HN ))
(( segid " A" and resid 52 and name HB2 ))
4.038 2.019 2.019 peak 1918 weight 1.00000E+00 volume 1.59216E+04 ppm1 1.913 ppm2 8.556
ASSI { 1919}
( segid " A" and resid 54 and name HE# )
(( segid " A" and resid 52 and name HB2 ))
4.712 2.356 2.356 peak 1919 weight 1.00000E+00 volume 6.85700E+03 ppm1 1.916 ppm2 7.174
ASSI { 1920}
(( segid " A" and resid 52 and name HA ))
(( segid " A" and resid 52 and name HB2 ))
3.672 1.836 1.836 peak 1920 weight 1.00000E+00 volume 1.40390E+04 ppm1 1.907 ppm2 4.408
ASSI { 1921}
(( segid " A" and resid 52 and name HB2 ))
( segid " A" and resid 41 and name HD1#)
2.962 1.242 1.481 peak 1921 weight 1.00000E+00 volume 3.72295E+04 ppm1 1.919 ppm2 0.792
ASSI { 1922}
( segid " A" and resid 54 and name HD# )
(( segid " A" and resid 53 and name HA ))
3.868 1.934 1.934 peak 1922 weight 1.00000E+00 volume 1.88524E+04 ppm1 5.190 ppm2 7.041
ASSI { 1923}
(( segid " A" and resid 39 and name HN ))
(( segid " A" and resid 53 and name HA ))
2.891 1.171 1.446 peak 1923 weight 1.00000E+00 volume 1.12240E+05 ppm1 5.182 ppm2 8.986
ASSI { 1924}
(( segid " A" and resid 54 and name HA ))
( segid " A" and resid 4 and name HG1#)
3.646 1.823 1.823 peak 1924 weight 1.00000E+00 volume 3.89763E+05 ppm1 4.789 ppm2 0.699
ASSI { 1925}
(( segid " A" and resid 54 and name HA ))
(( segid " A" and resid 54 and name HB2 ))
2.965 1.245 1.483 peak 1925 weight 1.00000E+00 volume 1.34675E+06 ppm1 4.776 ppm2 2.975
ASSI { 1926}
(( segid " A" and resid 55 and name HN ))
(( segid " A" and resid 54 and name HA ))
3.107 1.387 1.554 peak 1926 weight 1.00000E+00 volume 3.11474E+04 ppm1 4.784 ppm2 9.312
ASSI { 1927}
(( segid " A" and resid 55 and name HN ))
(( segid " A" and resid 54 and name HB2 ))
3.487 1.744 1.744 peak 1927 weight 1.00000E+00 volume 2.34799E+04 ppm1 2.982 ppm2 9.300
ASSI { 1928}
( segid " A" and resid 54 and name HD# )
(( segid " A" and resid 54 and name HB2 ))
3.255 1.535 1.628 peak 1928 weight 1.00000E+00 volume 3.53640E+04 ppm1 2.978 ppm2 7.037
ASSI { 1929}
(( segid " A" and resid 54 and name HB2 ))
( segid " A" and resid 7 and name HE# )
4.342 2.171 2.171 peak 1929 weight 1.00000E+00 volume 5.49600E+03 ppm1 2.982 ppm2 6.578
ASSI { 1930}
(( segid " A" and resid 54 and name HB2 ))
(( segid " A" and resid 37 and name HB ))
1.969 0.249 0.985 peak 1930 weight 1.00000E+00 volume 1.01857E+06 ppm1 2.981 ppm2 1.671
ASSI { 1931}
(( segid " A" and resid 54 and name HB2 ))
( segid " A" and resid 4 and name HG1#)
3.597 1.798 1.798 peak 1931 weight 1.00000E+00 volume 5.21336E+04 ppm1 2.977 ppm2 0.699
ASSI { 1932}
(( segid " A" and resid 54 and name HB2 ))
( segid " A" and resid 37 and name HG1#)
3.266 1.546 1.633 peak 1932 weight 1.00000E+00 volume 4.96861E+04 ppm1 2.980 ppm2 0.568
ASSI { 1933}
(( segid " A" and resid 54 and name HB2 ))
( segid " A" and resid 4 and name HG2#)
7.656 3.828 0.344 peak 1933 weight 1.00000E+00 volume 1.17766E+04 ppm1 2.970 ppm2 0.227
ASSI { 1934}
(( segid " A" and resid 55 and name HA ))
(( segid " A" and resid 55 and name HB2 ))
2.800 1.080 1.400 peak 1934 weight 1.00000E+00 volume 8.10786E+04 ppm1 4.383 ppm2 1.847
ASSI { 1935}
(( segid " A" and resid 55 and name HA ))
(( segid " A" and resid 36 and name HB2 ))
3.320 1.600 1.660 peak 1935 weight 1.00000E+00 volume 6.83503E+05 ppm1 4.377 ppm2 3.031
ASSI { 1936}
(( segid " A" and resid 36 and name HA ))
(( segid " A" and resid 55 and name HA ))
3.156 1.436 1.578 peak 1936 weight 1.00000E+00 volume 9.27294E+05 ppm1 4.394 ppm2 5.177
ASSI { 1937}
(( segid " A" and resid 55 and name HA ))
( segid " A" and resid 36 and name HD# )
3.910 1.955 1.955 peak 1937 weight 1.00000E+00 volume 2.56081E+05 ppm1 4.397 ppm2 7.072
ASSI { 1938}
(( segid " A" and resid 56 and name HN ))
(( segid " A" and resid 55 and name HA ))
3.440 1.720 1.720 peak 1938 weight 1.00000E+00 volume 2.96101E+04 ppm1 4.386 ppm2 7.989
ASSI { 1939}
(( segid " A" and resid 37 and name HN ))
(( segid " A" and resid 55 and name HA ))
3.424 1.704 1.712 peak 1939 weight 1.00000E+00 volume 5.12306E+04 ppm1 4.397 ppm2 9.293
ASSI { 1940}
(( segid " A" and resid 55 and name HA ))
(( segid " A" and resid 55 and name HN ))
3.433 1.713 1.717 peak 1940 weight 1.00000E+00 volume 4.54916E+04 ppm1 4.392 ppm2 9.314
ASSI { 1941}
(( segid " A" and resid 56 and name HN ))
(( segid " A" and resid 55 and name HB2 ))
4.159 2.079 2.079 peak 1941 weight 1.00000E+00 volume 7.52838E+03 ppm1 1.851 ppm2 7.984
ASSI { 1942}
( segid " A" and resid 36 and name HD# )
(( segid " A" and resid 55 and name HB2 ))
4.290 2.145 2.145 peak 1942 weight 1.00000E+00 volume 8.40538E+03 ppm1 1.852 ppm2 7.079
ASSI { 1943}
(( segid " A" and resid 55 and name HA ))
(( segid " A" and resid 55 and name HB2 ))
3.173 1.453 1.587 peak 1943 weight 1.00000E+00 volume 8.96645E+05 ppm1 1.850 ppm2 4.396
ASSI { 1946}
(( segid " A" and resid 56 and name HA ))
( segid " A" and resid 4 and name HG2#)
4.087 2.044 2.044 peak 1946 weight 1.00000E+00 volume 1.96400E+05 ppm1 4.681 ppm2 0.231
ASSI { 1948}
(( segid " A" and resid 37 and name HN ))
( segid " A" and resid 56 and name HB# )
4.072 2.036 2.036 peak 1948 weight 1.00000E+00 volume 2.00825E+05 ppm1 1.300 ppm2 9.303
ASSI { 1949}
( segid " A" and resid 56 and name HB# )
(( segid " A" and resid 35 and name HN ))
4.643 2.322 2.322 peak 1949 weight 1.00000E+00 volume 9.10112E+03 ppm1 1.324 ppm2 8.338
ASSI { 1950}
(( segid " A" and resid 36 and name HA ))
( segid " A" and resid 56 and name HB# )
3.426 1.706 1.713 peak 1950 weight 1.00000E+00 volume 9.75725E+03 ppm1 1.300 ppm2 5.167
ASSI { 1951}
( segid " A" and resid 56 and name HB# )
(( segid " A" and resid 5 and name HA ))
5.844 2.922 2.156 peak 1951 weight 1.00000E+00 volume 2.29809E+04 ppm1 1.285 ppm2 4.263
ASSI { 1954}
( segid " A" and resid 56 and name HB# )
( segid " A" and resid 4 and name HG1#)
3.489 1.744 1.744 peak 1954 weight 1.00000E+00 volume 5.07735E+05 ppm1 1.303 ppm2 0.683
ASSI { 1955}
( segid " A" and resid 56 and name HB# )
( segid " A" and resid 4 and name HG2#)
3.944 1.972 1.972 peak 1955 weight 1.00000E+00 volume 2.43207E+05 ppm1 1.295 ppm2 0.222
ASSI { 1956}
(( segid " A" and resid 63 and name HN ))
(( segid " A" and resid 62 and name HB2 ))
4.082 2.041 2.041 peak 1956 weight 1.00000E+00 volume -1.97760E+05 ppm1 1.931 ppm2 7.837
ASSI { 1957}
(( segid " A" and resid 63 and name HN ))
(( segid " A" and resid 62 and name HB1 ))
3.522 1.761 1.761 peak 1957 weight 1.00000E+00 volume 4.79829E+05 ppm1 2.220 ppm2 7.837
ASSI { 1958}
(( segid " A" and resid 62 and name HB1 ))
(( segid " A" and resid 62 and name HA ))
2.909 1.189 1.454 peak 1958 weight 1.00000E+00 volume 1.51106E+06 ppm1 2.217 ppm2 4.602
ASSI { 1959}
(( segid " A" and resid 14 and name HB2 ))
(( segid " A" and resid 63 and name HA ))
4.444 2.222 2.222 peak 1959 weight 1.00000E+00 volume 1.18902E+05 ppm1 4.604 ppm2 3.495
ASSI { 1961}
(( segid " A" and resid 14 and name HB1 ))
(( segid " A" and resid 63 and name HA ))
4.454 2.227 2.227 peak 1961 weight 1.00000E+00 volume 1.17339E+05 ppm1 4.592 ppm2 3.706
ASSI { 1962}
(( segid " A" and resid 63 and name HN ))
(( segid " A" and resid 63 and name HA ))
3.471 1.736 1.736 peak 1962 weight 1.00000E+00 volume 3.20670E+04 ppm1 4.602 ppm2 7.827
ASSI { 1963}
(( segid " A" and resid 14 and name HN ))
( segid " A" and resid 63 and name HB# )
3.482 1.741 1.741 peak 1963 weight 1.00000E+00 volume 6.49706E+04 ppm1 0.851 ppm2 8.832
ASSI { 1964}
(( segid " A" and resid 13 and name HN ))
( segid " A" and resid 63 and name HB# )
3.642 1.821 1.821 peak 1964 weight 1.00000E+00 volume 3.92566E+05 ppm1 0.854 ppm2 9.088
ASSI { 1965}
(( segid " A" and resid 63 and name HN ))
( segid " A" and resid 63 and name HB# )
2.814 1.094 1.407 peak 1965 weight 1.00000E+00 volume 1.84473E+06 ppm1 0.850 ppm2 7.835
ASSI { 1966}
(( segid " A" and resid 14 and name HA ))
( segid " A" and resid 63 and name HB# )
4.352 2.176 2.176 peak 1966 weight 1.00000E+00 volume 1.34697E+05 ppm1 0.849 ppm2 5.601
ASSI { 1967}
(( segid " A" and resid 13 and name HA ))
( segid " A" and resid 63 and name HB# )
3.044 1.324 1.522 peak 1967 weight 1.00000E+00 volume 1.15008E+06 ppm1 0.852 ppm2 5.034
ASSI { 1968}
(( segid " A" and resid 63 and name HA ))
( segid " A" and resid 63 and name HB# )
2.449 0.729 1.224 peak 1968 weight 1.00000E+00 volume 4.24564E+06 ppm1 0.852 ppm2 4.602
ASSI { 1969}
(( segid " A" and resid 14 and name HB1 ))
( segid " A" and resid 63 and name HB# )
3.896 1.948 1.948 peak 1969 weight 1.00000E+00 volume 2.61894E+05 ppm1 0.850 ppm2 3.697
ASSI { 1970}
(( segid " A" and resid 67 and name HB2 ))
(( segid " A" and resid 112 and name HB2 ))
3.944 1.972 1.972 peak 1970 weight 1.00000E+00 volume 1.41051E+04 ppm1 2.555 ppm2 2.015
ASSI { 1971}
(( segid " A" and resid 68 and name HA ))
(( segid " A" and resid 68 and name HG2 ))
3.018 1.298 1.509 peak 1971 weight 1.00000E+00 volume 5.86832E+04 ppm1 4.621 ppm2 1.607
ASSI { 1972}
(( segid " A" and resid 68 and name HA ))
(( segid " A" and resid 68 and name HB2 ))
2.828 1.108 1.414 peak 1972 weight 1.00000E+00 volume 6.03015E+04 ppm1 4.621 ppm2 1.804
ASSI { 1973}
(( segid " A" and resid 69 and name HN ))
(( segid " A" and resid 68 and name HA ))
3.320 1.600 1.660 peak 1973 weight 1.00000E+00 volume 6.83205E+05 ppm1 4.622 ppm2 8.690
ASSI { 1975}
(( segid " A" and resid 113 and name HN ))
(( segid " A" and resid 68 and name HB2 ))
3.925 1.963 1.963 peak 1975 weight 1.00000E+00 volume 2.50394E+05 ppm1 1.809 ppm2 9.078
ASSI { 1976}
(( segid " A" and resid 68 and name HN ))
(( segid " A" and resid 68 and name HB2 ))
3.485 1.743 1.743 peak 1976 weight 1.00000E+00 volume 1.57771E+04 ppm1 1.803 ppm2 8.789
ASSI { 1977}
(( segid " A" and resid 69 and name HN ))
(( segid " A" and resid 68 and name HB2 ))
3.586 1.793 1.793 peak 1977 weight 1.00000E+00 volume 1.73992E+04 ppm1 1.802 ppm2 8.693
ASSI { 1978}
(( segid " A" and resid 70 and name HA ))
(( segid " A" and resid 71 and name HN ))
2.831 1.111 1.415 peak 1978 weight 1.00000E+00 volume 1.12029E+05 ppm1 5.174 ppm2 9.081
ASSI { 1979}
(( segid " A" and resid 70 and name HN ))
(( segid " A" and resid 70 and name HA ))
3.186 1.466 1.593 peak 1979 weight 1.00000E+00 volume 4.24070E+04 ppm1 5.176 ppm2 8.919
ASSI { 1980}
(( segid " A" and resid 85 and name HN ))
(( segid " A" and resid 70 and name HA ))
3.109 1.389 1.555 peak 1980 weight 1.00000E+00 volume 6.18915E+04 ppm1 5.176 ppm2 8.692
ASSI { 1981}
(( segid " A" and resid 70 and name HA ))
(( segid " A" and resid 84 and name HB2 ))
5.459 2.730 2.541 peak 1981 weight 1.00000E+00 volume 3.45738E+04 ppm1 5.168 ppm2 2.519
ASSI { 1982}
(( segid " A" and resid 70 and name HA ))
(( segid " A" and resid 70 and name HB1 ))
2.777 1.057 1.388 peak 1982 weight 1.00000E+00 volume 1.99748E+06 ppm1 5.177 ppm2 1.798
ASSI { 1983}
(( segid " A" and resid 70 and name HA ))
(( segid " A" and resid 70 and name HB2 ))
3.350 1.630 1.675 peak 1983 weight 1.00000E+00 volume 6.47469E+05 ppm1 5.176 ppm2 1.613
ASSI { 1985}
(( segid " A" and resid 70 and name HB2 ))
(( segid " A" and resid 82 and name HB2 ))
4.327 2.163 2.163 peak 1985 weight 1.00000E+00 volume 1.39579E+05 ppm1 1.617 ppm2 2.912
ASSI { 1986}
(( segid " A" and resid 70 and name HB2 ))
(( segid " A" and resid 82 and name HB1 ))
4.275 2.138 2.138 peak 1986 weight 1.00000E+00 volume 1.49982E+05 ppm1 1.615 ppm2 2.971
ASSI { 1987}
(( segid " A" and resid 70 and name HA ))
(( segid " A" and resid 70 and name HB1 ))
3.383 1.663 1.692 peak 1987 weight 1.00000E+00 volume 6.10194E+05 ppm1 1.799 ppm2 5.177
ASSI { 1988}
(( segid " A" and resid 70 and name HA ))
(( segid " A" and resid 70 and name HB2 ))
3.982 1.991 1.991 peak 1988 weight 1.00000E+00 volume 1.33728E+04 ppm1 1.610 ppm2 5.177
ASSI { 1989}
(( segid " A" and resid 82 and name HA ))
(( segid " A" and resid 70 and name HB2 ))
8.000 4.000 0.000 peak 1989 weight 1.00000E+00 volume -2.91800E+03 ppm1 1.617 ppm2 5.345
ASSI { 1990}
(( segid " A" and resid 82 and name HA ))
(( segid " A" and resid 70 and name HB1 ))
3.471 1.735 1.735 peak 1990 weight 1.00000E+00 volume 5.23775E+05 ppm1 1.798 ppm2 5.346
ASSI { 1991}
( segid " A" and resid 82 and name HD# )
(( segid " A" and resid 70 and name HB2 ))
4.177 2.088 2.088 peak 1991 weight 1.00000E+00 volume 1.72420E+05 ppm1 1.614 ppm2 6.995
ASSI { 1992}
( segid " A" and resid 82 and name HD# )
(( segid " A" and resid 70 and name HB1 ))
5.121 2.561 2.561 peak 1992 weight 1.00000E+00 volume 5.07399E+04 ppm1 1.801 ppm2 6.995
ASSI { 1993}
(( segid " A" and resid 70 and name HN ))
(( segid " A" and resid 70 and name HB1 ))
4.231 2.115 2.115 peak 1993 weight 1.00000E+00 volume 8.58862E+03 ppm1 1.798 ppm2 8.923
ASSI { 1994}
(( segid " A" and resid 70 and name HN ))
(( segid " A" and resid 70 and name HB2 ))
4.098 2.049 2.049 peak 1994 weight 1.00000E+00 volume 1.02178E+04 ppm1 1.613 ppm2 8.920
ASSI { 1995}
(( segid " A" and resid 71 and name HN ))
(( segid " A" and resid 70 and name HB2 ))
3.681 1.841 1.841 peak 1995 weight 1.00000E+00 volume 1.84215E+04 ppm1 1.614 ppm2 9.084
ASSI { 1996}
(( segid " A" and resid 71 and name HN ))
(( segid " A" and resid 70 and name HB1 ))
3.733 1.866 1.866 peak 1996 weight 1.00000E+00 volume 1.72369E+04 ppm1 1.794 ppm2 9.080
ASSI { 1997}
(( segid " A" and resid 83 and name HN ))
(( segid " A" and resid 70 and name HB2 ))
4.839 2.420 2.420 peak 1997 weight 1.00000E+00 volume 8.33588E+03 ppm1 1.616 ppm2 9.325
ASSI { 1998}
(( segid " A" and resid 72 and name HN ))
(( segid " A" and resid 71 and name HA ))
2.741 1.021 1.371 peak 1998 weight 1.00000E+00 volume 1.08247E+05 ppm1 5.212 ppm2 9.126
ASSI { 1999}
(( segid " A" and resid 71 and name HN ))
(( segid " A" and resid 71 and name HA ))
2.583 0.863 1.292 peak 1999 weight 1.00000E+00 volume 1.40742E+05 ppm1 5.209 ppm2 9.082
ASSI { 2000}
(( segid " A" and resid 111 and name HN ))
(( segid " A" and resid 71 and name HA ))
2.596 0.876 1.298 peak 2000 weight 1.00000E+00 volume 2.99207E+06 ppm1 5.210 ppm2 9.068
ASSI { 2001}
(( segid " A" and resid 71 and name HA ))
(( segid " A" and resid 71 and name HG2 ))
3.001 1.281 1.500 peak 2001 weight 1.00000E+00 volume 1.25391E+06 ppm1 5.209 ppm2 2.214
ASSI { 2002}
(( segid " A" and resid 71 and name HA ))
(( segid " A" and resid 71 and name HB2 ))
2.715 0.995 1.358 peak 2002 weight 1.00000E+00 volume 8.33722E+04 ppm1 5.207 ppm2 2.000
ASSI { 2003}
(( segid " A" and resid 71 and name HA ))
(( segid " A" and resid 71 and name HB1 ))
2.904 1.184 1.452 peak 2003 weight 1.00000E+00 volume 3.59244E+04 ppm1 5.205 ppm2 1.811
ASSI { 2004}
(( segid " A" and resid 108 and name HA2 ))
(( segid " A" and resid 71 and name HG2 ))
4.309 2.154 2.154 peak 2004 weight 1.00000E+00 volume 2.45982E+04 ppm1 2.214 ppm2 3.751
ASSI { 2005}
(( segid " A" and resid 109 and name HA ))
(( segid " A" and resid 71 and name HG2 ))
4.867 2.433 2.433 peak 2005 weight 1.00000E+00 volume 3.35564E+04 ppm1 2.210 ppm2 4.292
ASSI { 2006}
(( segid " A" and resid 71 and name HG2 ))
(( segid " A" and resid 108 and name HA2 ))
3.258 1.538 1.629 peak 2006 weight 1.00000E+00 volume 4.35056E+04 ppm1 2.208 ppm2 4.411
ASSI { 2007}
(( segid " A" and resid 110 and name HA ))
(( segid " A" and resid 71 and name HG2 ))
3.876 1.938 1.938 peak 2007 weight 1.00000E+00 volume 1.63080E+04 ppm1 2.210 ppm2 5.092
ASSI { 2008}
(( segid " A" and resid 71 and name HA ))
(( segid " A" and resid 71 and name HG2 ))
3.170 1.450 1.585 peak 2008 weight 1.00000E+00 volume 5.60645E+04 ppm1 2.205 ppm2 5.211
ASSI { 2009}
(( segid " A" and resid 110 and name HN ))
(( segid " A" and resid 71 and name HG2 ))
4.800 2.400 2.400 peak 2009 weight 1.00000E+00 volume 1.60121E+04 ppm1 2.207 ppm2 8.527
ASSI { 2010}
(( segid " A" and resid 108 and name HN ))
(( segid " A" and resid 71 and name HG2 ))
3.339 1.619 1.670 peak 2010 weight 1.00000E+00 volume 4.59395E+04 ppm1 2.209 ppm2 9.096
ASSI { 2011}
(( segid " A" and resid 72 and name HN ))
(( segid " A" and resid 71 and name HG2 ))
3.454 1.727 1.727 peak 2011 weight 1.00000E+00 volume 5.39510E+05 ppm1 2.211 ppm2 9.131
ASSI { 2012}
(( segid " A" and resid 83 and name HN ))
(( segid " A" and resid 72 and name HA ))
4.468 2.234 2.234 peak 2012 weight 1.00000E+00 volume 1.15066E+05 ppm1 4.118 ppm2 9.323
ASSI { 2013}
(( segid " A" and resid 72 and name HN ))
(( segid " A" and resid 72 and name HA ))
4.390 2.195 2.195 peak 2013 weight 1.00000E+00 volume 1.27883E+05 ppm1 4.102 ppm2 9.123
ASSI { 2014}
(( segid " A" and resid 73 and name HN ))
(( segid " A" and resid 72 and name HA ))
4.277 2.139 2.139 peak 2014 weight 1.00000E+00 volume 1.46494E+04 ppm1 4.107 ppm2 8.788
ASSI { 2015}
(( segid " A" and resid 82 and name HA ))
(( segid " A" and resid 72 and name HA ))
3.851 1.925 1.925 peak 2015 weight 1.00000E+00 volume 2.12180E+04 ppm1 4.110 ppm2 5.348
ASSI { 2016}
(( segid " A" and resid 72 and name HB2 ))
(( segid " A" and resid 72 and name HA ))
4.324 2.162 2.162 peak 2016 weight 1.00000E+00 volume 1.40167E+05 ppm1 4.117 ppm2 2.714
ASSI { 2017}
( segid " A" and resid 105 and name HD1#)
(( segid " A" and resid 72 and name HB2 ))
6.342 3.171 1.658 peak 2017 weight 1.00000E+00 volume 1.40696E+04 ppm1 2.715 ppm2 0.400
ASSI { 2019}
(( segid " A" and resid 109 and name HB2 ))
(( segid " A" and resid 72 and name HB2 ))
3.543 1.771 1.771 peak 2019 weight 1.00000E+00 volume 2.52812E+04 ppm1 2.726 ppm2 2.346
ASSI { 2020}
(( segid " A" and resid 107 and name HA ))
(( segid " A" and resid 72 and name HB2 ))
5.209 2.604 2.604 peak 2020 weight 1.00000E+00 volume 3.71500E+03 ppm1 2.746 ppm2 3.553
ASSI { 2021}
(( segid " A" and resid 72 and name HB2 ))
(( segid " A" and resid 72 and name HA ))
4.725 2.362 2.362 peak 2021 weight 1.00000E+00 volume 6.36412E+03 ppm1 2.759 ppm2 4.116
ASSI { 2022}
(( segid " A" and resid 109 and name HN ))
(( segid " A" and resid 72 and name HB2 ))
4.327 2.164 2.164 peak 2022 weight 1.00000E+00 volume 9.37788E+03 ppm1 2.744 ppm2 8.122
ASSI { 2023}
(( segid " A" and resid 73 and name HN ))
(( segid " A" and resid 72 and name HB2 ))
4.461 2.231 2.231 peak 2023 weight 1.00000E+00 volume 7.10388E+03 ppm1 2.729 ppm2 8.788
ASSI { 2024}
(( segid " A" and resid 108 and name HN ))
(( segid " A" and resid 72 and name HB2 ))
4.103 2.051 2.051 peak 2024 weight 1.00000E+00 volume 6.07038E+03 ppm1 2.724 ppm2 9.090
ASSI { 2025}
(( segid " A" and resid 72 and name HN ))
(( segid " A" and resid 72 and name HB2 ))
4.072 2.036 2.036 peak 2025 weight 1.00000E+00 volume 5.62112E+03 ppm1 2.722 ppm2 9.126
ASSI { 2026}
(( segid " A" and resid 108 and name HN ))
(( segid " A" and resid 73 and name HA ))
4.642 2.321 2.321 peak 2026 weight 1.00000E+00 volume 9.15132E+04 ppm1 4.232 ppm2 9.103
ASSI { 2027}
(( segid " A" and resid 73 and name HN ))
(( segid " A" and resid 73 and name HA ))
4.076 2.038 2.038 peak 2027 weight 1.00000E+00 volume 1.19519E+04 ppm1 4.211 ppm2 8.790
ASSI { 2028}
(( segid " A" and resid 74 and name HN ))
(( segid " A" and resid 73 and name HA ))
3.814 1.907 1.907 peak 2028 weight 1.00000E+00 volume 1.61825E+04 ppm1 4.228 ppm2 6.319
ASSI { 2029}
(( segid " A" and resid 73 and name HA ))
(( segid " A" and resid 73 and name HB2 ))
5.386 2.693 2.614 peak 2029 weight 1.00000E+00 volume -3.75018E+04 ppm1 4.235 ppm2 1.703
ASSI { 2030}
( segid " A" and resid 73 and name HD1#)
(( segid " A" and resid 73 and name HA ))
3.898 1.949 1.949 peak 2030 weight 1.00000E+00 volume 2.61140E+05 ppm1 4.227 ppm2 1.127
ASSI { 2031}
( segid " A" and resid 73 and name HD2#)
(( segid " A" and resid 73 and name HA ))
3.630 1.815 1.815 peak 2031 weight 1.00000E+00 volume 3.99889E+05 ppm1 4.225 ppm2 0.948
ASSI { 2032}
( segid " A" and resid 73 and name HD2#)
(( segid " A" and resid 73 and name HB2 ))
4.112 2.056 2.056 peak 2032 weight 1.00000E+00 volume 1.89258E+05 ppm1 1.701 ppm2 0.950
ASSI { 2033}
( segid " A" and resid 73 and name HD1#)
(( segid " A" and resid 73 and name HB2 ))
4.000 2.000 2.000 peak 2033 weight 1.00000E+00 volume 2.23532E+05 ppm1 1.700 ppm2 1.126
ASSI { 2037}
(( segid " A" and resid 73 and name HN ))
(( segid " A" and resid 73 and name HB2 ))
4.134 2.067 2.067 peak 2037 weight 1.00000E+00 volume 1.83495E+05 ppm1 1.699 ppm2 8.787
ASSI { 2038}
(( segid " A" and resid 74 and name HB1 ))
( segid " A" and resid 73 and name HD1#)
3.974 1.987 1.987 peak 2038 weight 1.00000E+00 volume -2.32274E+05 ppm1 1.114 ppm2 2.840
ASSI { 2039}
( segid " A" and resid 73 and name HD1#)
(( segid " A" and resid 81 and name HB ))
4.417 2.209 2.209 peak 2039 weight 1.00000E+00 volume 1.23250E+05 ppm1 1.126 ppm2 2.042
ASSI { 2040}
( segid " A" and resid 73 and name HD1#)
(( segid " A" and resid 83 and name HB2 ))
4.022 2.011 2.011 peak 2040 weight 1.00000E+00 volume 2.16164E+05 ppm1 1.124 ppm2 2.001
ASSI { 2043}
( segid " A" and resid 75 and name HB# )
(( segid " A" and resid 74 and name HA ))
3.694 1.847 1.847 peak 2043 weight 1.00000E+00 volume 3.60453E+05 ppm1 4.187 ppm2 1.273
ASSI { 2046}
(( segid " A" and resid 74 and name HN ))
(( segid " A" and resid 74 and name HB1 ))
3.737 1.868 1.868 peak 2046 weight 1.00000E+00 volume 1.46095E+04 ppm1 2.838 ppm2 6.325
ASSI { 2047}
(( segid " A" and resid 74 and name HN ))
(( segid " A" and resid 74 and name HB2 ))
4.138 2.069 2.069 peak 2047 weight 1.00000E+00 volume 1.34954E+04 ppm1 3.329 ppm2 6.319
ASSI { 2048}
(( segid " A" and resid 74 and name HB1 ))
( segid " A" and resid 73 and name HD2#)
5.138 2.569 2.569 peak 2048 weight 1.00000E+00 volume 6.28975E+03 ppm1 2.831 ppm2 0.948
ASSI { 2050}
(( segid " A" and resid 74 and name HB1 ))
( segid " A" and resid 73 and name HD1#)
6.702 3.351 1.298 peak 2050 weight 1.00000E+00 volume 1.01050E+04 ppm1 2.831 ppm2 1.120
ASSI { 2052}
(( segid " A" and resid 75 and name HA ))
(( segid " A" and resid 80 and name HB2 ))
4.547 2.273 2.273 peak 2052 weight 1.00000E+00 volume 1.03652E+05 ppm1 4.717 ppm2 2.863
ASSI { 2053}
(( segid " A" and resid 75 and name HA ))
(( segid " A" and resid 80 and name HB1 ))
3.872 1.936 1.936 peak 2053 weight 1.00000E+00 volume 7.53938E+03 ppm1 4.748 ppm2 2.944
ASSI { 2054}
(( segid " A" and resid 80 and name HA ))
(( segid " A" and resid 75 and name HA ))
3.208 1.488 1.604 peak 2054 weight 1.00000E+00 volume 8.40680E+05 ppm1 4.734 ppm2 4.542
ASSI { 2055}
(( segid " A" and resid 75 and name HA ))
(( segid " A" and resid 75 and name HN ))
3.797 1.899 1.899 peak 2055 weight 1.00000E+00 volume 3.05355E+05 ppm1 4.752 ppm2 8.420
ASSI { 2056}
(( segid " A" and resid 81 and name HN ))
(( segid " A" and resid 75 and name HA ))
4.174 2.087 2.087 peak 2056 weight 1.00000E+00 volume 1.73227E+05 ppm1 4.752 ppm2 8.475
ASSI { 2057}
(( segid " A" and resid 75 and name HA ))
(( segid " A" and resid 77 and name HN ))
3.816 1.908 1.908 peak 2057 weight 1.00000E+00 volume 2.96524E+05 ppm1 4.733 ppm2 8.612
ASSI { 2058}
(( segid " A" and resid 76 and name HN ))
(( segid " A" and resid 75 and name HA ))
4.645 2.323 2.323 peak 2058 weight 1.00000E+00 volume 9.11349E+04 ppm1 4.738 ppm2 8.826
ASSI { 2059}
(( segid " A" and resid 76 and name HN ))
( segid " A" and resid 75 and name HB# )
2.779 1.059 1.390 peak 2059 weight 1.00000E+00 volume 1.98737E+06 ppm1 1.266 ppm2 8.822
ASSI { 2060}
( segid " A" and resid 75 and name HB# )
(( segid " A" and resid 77 and name HN ))
4.747 2.374 2.374 peak 2060 weight 1.00000E+00 volume 7.99835E+04 ppm1 1.266 ppm2 8.609
ASSI { 2061}
( segid " A" and resid 75 and name HB# )
(( segid " A" and resid 75 and name HN ))
2.566 0.846 1.283 peak 2061 weight 1.00000E+00 volume 3.20772E+06 ppm1 1.267 ppm2 8.422
ASSI { 2062}
(( segid " A" and resid 75 and name HA ))
( segid " A" and resid 75 and name HB# )
2.290 0.570 1.145 peak 2062 weight 1.00000E+00 volume 6.35083E+06 ppm1 1.268 ppm2 4.717
ASSI { 2063}
( segid " A" and resid 75 and name HB# )
(( segid " A" and resid 74 and name HA ))
3.214 1.494 1.607 peak 2063 weight 1.00000E+00 volume 8.30888E+05 ppm1 1.259 ppm2 4.186
ASSI { 2064}
(( segid " A" and resid 107 and name HB2 ))
( segid " A" and resid 75 and name HB# )
5.198 2.599 2.599 peak 2064 weight 1.00000E+00 volume 4.63991E+04 ppm1 1.275 ppm2 1.896
ASSI { 2065}
( segid " A" and resid 74 and name HE# )
(( segid " A" and resid 76 and name HA ))
4.580 2.290 2.290 peak 2065 weight 1.00000E+00 volume 9.91975E+04 ppm1 4.722 ppm2 6.602
ASSI { 2066}
(( segid " A" and resid 76 and name HA ))
(( segid " A" and resid 77 and name HN ))
4.039 2.019 2.019 peak 2066 weight 1.00000E+00 volume 2.17015E+04 ppm1 4.732 ppm2 8.603
ASSI { 2067}
(( segid " A" and resid 76 and name HN ))
(( segid " A" and resid 76 and name HB1 ))
3.459 1.729 1.729 peak 2067 weight 1.00000E+00 volume 2.19106E+04 ppm1 2.710 ppm2 8.825
ASSI { 2069}
(( segid " A" and resid 79 and name HN ))
(( segid " A" and resid 76 and name HB2 ))
5.890 2.945 2.110 peak 2069 weight 1.00000E+00 volume 2.19374E+04 ppm1 2.367 ppm2 7.722
ASSI { 2070}
(( segid " A" and resid 79 and name HN ))
(( segid " A" and resid 76 and name HB1 ))
4.281 2.141 2.141 peak 2070 weight 1.00000E+00 volume -1.48660E+05 ppm1 2.711 ppm2 7.733
ASSI { 2071}
(( segid " A" and resid 76 and name HB1 ))
( segid " A" and resid 74 and name HE# )
3.513 1.757 1.757 peak 2071 weight 1.00000E+00 volume 4.86862E+05 ppm1 2.703 ppm2 6.606
ASSI { 2072}
(( segid " A" and resid 76 and name HB2 ))
(( segid " A" and resid 76 and name HA ))
3.053 1.333 1.527 peak 2072 weight 1.00000E+00 volume 6.17950E+04 ppm1 2.366 ppm2 4.717
ASSI { 2073}
(( segid " A" and resid 76 and name HB1 ))
(( segid " A" and resid 76 and name HA ))
2.773 1.053 1.387 peak 2073 weight 1.00000E+00 volume 1.33035E+05 ppm1 2.708 ppm2 4.720
ASSI { 2075}
( segid " A" and resid 81 and name HG1#)
(( segid " A" and resid 76 and name HB2 ))
3.422 1.702 1.711 peak 2075 weight 1.00000E+00 volume 2.65490E+04 ppm1 2.368 ppm2 0.717
ASSI { 2076}
( segid " A" and resid 81 and name HG1#)
(( segid " A" and resid 76 and name HB1 ))
3.381 1.661 1.690 peak 2076 weight 1.00000E+00 volume 6.12909E+05 ppm1 2.707 ppm2 0.712
ASSI { 2077}
(( segid " A" and resid 77 and name HA1 ))
(( segid " A" and resid 77 and name HN ))
4.715 2.358 2.358 peak 2077 weight 1.00000E+00 volume 8.33019E+04 ppm1 3.571 ppm2 8.619
ASSI { 2078}
(( segid " A" and resid 79 and name HN ))
(( segid " A" and resid 78 and name HA ))
4.079 2.040 2.040 peak 2078 weight 1.00000E+00 volume 1.98692E+05 ppm1 4.745 ppm2 7.732
ASSI { 2079}
(( segid " A" and resid 78 and name HA ))
(( segid " A" and resid 95 and name HB2 ))
3.785 1.893 1.893 peak 2079 weight 1.00000E+00 volume 1.51446E+04 ppm1 4.746 ppm2 4.038
ASSI { 2080}
(( segid " A" and resid 78 and name HA ))
(( segid " A" and resid 78 and name HB2 ))
3.114 1.394 1.557 peak 2080 weight 1.00000E+00 volume 6.34940E+04 ppm1 4.750 ppm2 2.920
ASSI { 2081}
(( segid " A" and resid 78 and name HA ))
(( segid " A" and resid 78 and name HB1 ))
3.479 1.739 1.739 peak 2081 weight 1.00000E+00 volume 5.16555E+05 ppm1 4.744 ppm2 2.542
ASSI { 2082}
(( segid " A" and resid 78 and name HB2 ))
(( segid " A" and resid 78 and name HB1 ))
2.580 0.860 1.290 peak 2082 weight 1.00000E+00 volume 3.10718E+06 ppm1 2.539 ppm2 2.921
ASSI { 2083}
(( segid " A" and resid 78 and name HB2 ))
(( segid " A" and resid 78 and name HB1 ))
2.395 0.675 1.198 peak 2083 weight 1.00000E+00 volume 4.14818E+05 ppm1 2.918 ppm2 2.542
ASSI { 2084}
(( segid " A" and resid 95 and name HB2 ))
(( segid " A" and resid 78 and name HB1 ))
5.845 2.923 2.155 peak 2084 weight 1.00000E+00 volume 1.01459E+04 ppm1 2.542 ppm2 4.042
ASSI { 2086}
(( segid " A" and resid 78 and name HA ))
(( segid " A" and resid 78 and name HB1 ))
2.451 0.731 1.225 peak 2086 weight 1.00000E+00 volume 2.58601E+05 ppm1 2.541 ppm2 4.730
ASSI { 2087}
(( segid " A" and resid 78 and name HA ))
(( segid " A" and resid 78 and name HB2 ))
2.179 0.459 1.090 peak 2087 weight 1.00000E+00 volume 8.54780E+06 ppm1 2.917 ppm2 4.729
ASSI { 2088}
(( segid " A" and resid 79 and name HN ))
(( segid " A" and resid 78 and name HB2 ))
4.077 2.038 2.038 peak 2088 weight 1.00000E+00 volume 1.99380E+05 ppm1 2.916 ppm2 7.734
ASSI { 2089}
(( segid " A" and resid 79 and name HN ))
(( segid " A" and resid 78 and name HB1 ))
4.187 2.094 2.094 peak 2089 weight 1.00000E+00 volume 1.69870E+05 ppm1 2.534 ppm2 7.733
ASSI { 2090}
(( segid " A" and resid 93 and name HN ))
(( segid " A" and resid 79 and name HA ))
3.889 1.944 1.944 peak 2090 weight 1.00000E+00 volume 2.64718E+05 ppm1 5.180 ppm2 9.247
ASSI { 2092}
(( segid " A" and resid 79 and name HB2 ))
(( segid " A" and resid 79 and name HB1 ))
2.580 0.860 1.290 peak 2092 weight 1.00000E+00 volume 1.90427E+05 ppm1 2.811 ppm2 2.439
ASSI { 2093}
(( segid " A" and resid 79 and name HA ))
(( segid " A" and resid 79 and name HB2 ))
3.316 1.596 1.658 peak 2093 weight 1.00000E+00 volume 6.88032E+05 ppm1 2.810 ppm2 5.191
ASSI { 2095}
(( segid " A" and resid 76 and name HN ))
(( segid " A" and resid 80 and name HA ))
4.002 2.001 2.001 peak 2095 weight 1.00000E+00 volume 1.17654E+04 ppm1 4.534 ppm2 8.826
ASSI { 2097}
( segid " A" and resid 81 and name HG1#)
(( segid " A" and resid 80 and name HA ))
3.824 1.912 1.912 peak 2097 weight 1.00000E+00 volume 2.41350E+04 ppm1 4.542 ppm2 0.716
ASSI { 2098}
( segid " A" and resid 98 and name HD1#)
(( segid " A" and resid 80 and name HA ))
4.110 2.055 2.055 peak 2098 weight 1.00000E+00 volume 1.71955E+04 ppm1 4.542 ppm2 0.667
ASSI { 2099}
( segid " A" and resid 98 and name HD1#)
(( segid " A" and resid 80 and name HB2 ))
4.201 2.100 2.100 peak 2099 weight 1.00000E+00 volume 2.71628E+04 ppm1 2.885 ppm2 0.668
ASSI { 2100}
( segid " A" and resid 98 and name HD1#)
(( segid " A" and resid 80 and name HB1 ))
3.909 1.955 1.955 peak 2100 weight 1.00000E+00 volume 9.67188E+03 ppm1 2.948 ppm2 0.668
ASSI { 2101}
(( segid " A" and resid 93 and name HB2 ))
(( segid " A" and resid 80 and name HB2 ))
3.976 1.988 1.988 peak 2101 weight 1.00000E+00 volume 4.10925E+03 ppm1 2.888 ppm2 1.556
ASSI { 2102}
(( segid " A" and resid 93 and name HB1 ))
(( segid " A" and resid 80 and name HB2 ))
4.464 2.232 2.232 peak 2102 weight 1.00000E+00 volume 4.33375E+03 ppm1 2.894 ppm2 1.677
ASSI { 2103}
(( segid " A" and resid 93 and name HB1 ))
(( segid " A" and resid 80 and name HB1 ))
4.511 2.255 2.255 peak 2103 weight 1.00000E+00 volume 6.09512E+03 ppm1 2.946 ppm2 1.681
ASSI { 2104}
(( segid " A" and resid 80 and name HA ))
(( segid " A" and resid 80 and name HB1 ))
2.967 1.247 1.484 peak 2104 weight 1.00000E+00 volume 1.90924E+04 ppm1 2.956 ppm2 4.541
ASSI { 2105}
(( segid " A" and resid 80 and name HA ))
(( segid " A" and resid 80 and name HB2 ))
2.845 1.125 1.422 peak 2105 weight 1.00000E+00 volume 1.72775E+06 ppm1 2.886 ppm2 4.541
ASSI { 2106}
(( segid " A" and resid 75 and name HA ))
(( segid " A" and resid 80 and name HB2 ))
2.884 1.164 1.442 peak 2106 weight 1.00000E+00 volume 1.59239E+06 ppm1 2.886 ppm2 4.718
ASSI { 2109}
( segid " A" and resid 82 and name HD# )
(( segid " A" and resid 80 and name HB2 ))
4.072 2.036 2.036 peak 2109 weight 1.00000E+00 volume 9.59238E+03 ppm1 2.884 ppm2 6.994
ASSI { 2110}
(( segid " A" and resid 81 and name HN ))
(( segid " A" and resid 80 and name HB2 ))
5.755 2.877 2.245 peak 2110 weight 1.00000E+00 volume 4.33500E+03 ppm1 2.885 ppm2 8.485
ASSI { 2111}
(( segid " A" and resid 80 and name HN ))
(( segid " A" and resid 80 and name HB2 ))
3.854 1.927 1.927 peak 2111 weight 1.00000E+00 volume 1.13971E+04 ppm1 2.882 ppm2 9.036
ASSI { 2112}
(( segid " A" and resid 91 and name HN ))
(( segid " A" and resid 81 and name HA ))
4.345 2.172 2.172 peak 2112 weight 1.00000E+00 volume 1.69794E+04 ppm1 4.433 ppm2 8.931
ASSI { 2113}
(( segid " A" and resid 81 and name HN ))
(( segid " A" and resid 81 and name HA ))
4.289 2.144 2.144 peak 2113 weight 1.00000E+00 volume 6.16138E+03 ppm1 4.444 ppm2 8.484
ASSI { 2114}
( segid " A" and resid 82 and name HD# )
(( segid " A" and resid 81 and name HA ))
4.495 2.248 2.248 peak 2114 weight 1.00000E+00 volume 5.08962E+03 ppm1 4.427 ppm2 6.995
ASSI { 2115}
(( segid " A" and resid 92 and name HA ))
(( segid " A" and resid 81 and name HA ))
3.976 1.988 1.988 peak 2115 weight 1.00000E+00 volume 7.15675E+03 ppm1 4.433 ppm2 5.591
ASSI { 2116}
(( segid " A" and resid 81 and name HA ))
(( segid " A" and resid 81 and name HB ))
3.495 1.747 1.747 peak 2116 weight 1.00000E+00 volume 7.32438E+03 ppm1 4.436 ppm2 2.040
ASSI { 2117}
( segid " A" and resid 81 and name HG1#)
(( segid " A" and resid 81 and name HA ))
2.855 1.135 1.427 peak 2117 weight 1.00000E+00 volume 8.73609E+04 ppm1 4.435 ppm2 0.716
ASSI { 2118}
( segid " A" and resid 81 and name HG1#)
(( segid " A" and resid 81 and name HB ))
2.997 1.277 1.499 peak 2118 weight 1.00000E+00 volume 5.14995E+04 ppm1 2.038 ppm2 0.716
ASSI { 2119}
( segid " A" and resid 73 and name HD2#)
(( segid " A" and resid 81 and name HB ))
4.031 2.015 2.015 peak 2119 weight 1.00000E+00 volume 2.13414E+05 ppm1 2.035 ppm2 0.950
ASSI { 2120}
(( segid " A" and resid 81 and name HA ))
(( segid " A" and resid 81 and name HB ))
3.227 1.507 1.613 peak 2120 weight 1.00000E+00 volume 8.10799E+05 ppm1 2.039 ppm2 4.435
ASSI { 2121}
(( segid " A" and resid 74 and name HN ))
(( segid " A" and resid 81 and name HB ))
3.534 1.767 1.767 peak 2121 weight 1.00000E+00 volume -4.70252E+05 ppm1 2.042 ppm2 6.318
ASSI { 2122}
(( segid " A" and resid 81 and name HN ))
(( segid " A" and resid 81 and name HB ))
3.070 1.350 1.535 peak 2122 weight 1.00000E+00 volume 1.09284E+06 ppm1 2.043 ppm2 8.493
ASSI { 2124}
(( segid " A" and resid 82 and name HN ))
( segid " A" and resid 81 and name HG1#)
2.831 1.111 1.416 peak 2124 weight 1.00000E+00 volume 1.77719E+06 ppm1 0.712 ppm2 9.061
ASSI { 2126}
(( segid " A" and resid 81 and name HN ))
( segid " A" and resid 81 and name HG1#)
2.750 1.030 1.375 peak 2126 weight 1.00000E+00 volume 2.11583E+06 ppm1 0.715 ppm2 8.484
ASSI { 2127}
( segid " A" and resid 81 and name HG1#)
( segid " A" and resid 74 and name HE# )
2.541 0.821 1.271 peak 2127 weight 1.00000E+00 volume 3.40026E+06 ppm1 0.711 ppm2 6.600
ASSI { 2128}
( segid " A" and resid 81 and name HG1#)
(( segid " A" and resid 74 and name HN ))
3.345 1.625 1.673 peak 2128 weight 1.00000E+00 volume 2.59944E+04 ppm1 0.715 ppm2 6.316
ASSI { 2129}
(( segid " A" and resid 92 and name HA ))
( segid " A" and resid 81 and name HG1#)
3.467 1.733 1.733 peak 2129 weight 1.00000E+00 volume 5.43155E+04 ppm1 0.715 ppm2 5.595
ASSI { 2130}
(( segid " A" and resid 90 and name HA ))
( segid " A" and resid 81 and name HG1#)
8.000 4.000 0.000 peak 2130 weight 1.00000E+00 volume 5.32438E+03 ppm1 0.717 ppm2 5.444
ASSI { 2133}
( segid " A" and resid 81 and name HG1#)
(( segid " A" and resid 80 and name HA ))
2.995 1.275 1.498 peak 2133 weight 1.00000E+00 volume 9.96645E+04 ppm1 0.718 ppm2 4.542
ASSI { 2134}
( segid " A" and resid 81 and name HG1#)
(( segid " A" and resid 81 and name HA ))
2.567 0.847 1.283 peak 2134 weight 1.00000E+00 volume 3.20302E+06 ppm1 0.716 ppm2 4.438
ASSI { 2135}
( segid " A" and resid 81 and name HG1#)
(( segid " A" and resid 76 and name HB1 ))
3.819 1.910 1.910 peak 2135 weight 1.00000E+00 volume 2.94910E+05 ppm1 0.716 ppm2 2.710
ASSI { 2136}
( segid " A" and resid 81 and name HG1#)
(( segid " A" and resid 76 and name HB2 ))
3.362 1.642 1.681 peak 2136 weight 1.00000E+00 volume 3.69885E+04 ppm1 0.716 ppm2 2.373
ASSI { 2137}
(( segid " A" and resid 82 and name HA ))
(( segid " A" and resid 70 and name HB2 ))
4.197 2.098 2.098 peak 2137 weight 1.00000E+00 volume -5.37875E+02 ppm1 5.342 ppm2 1.609
ASSI { 2138}
(( segid " A" and resid 82 and name HA ))
(( segid " A" and resid 70 and name HB1 ))
3.773 1.886 1.886 peak 2138 weight 1.00000E+00 volume 7.79175E+03 ppm1 5.345 ppm2 1.798
ASSI { 2139}
(( segid " A" and resid 82 and name HA ))
(( segid " A" and resid 82 and name HB2 ))
4.204 2.102 2.102 peak 2139 weight 1.00000E+00 volume 9.68088E+03 ppm1 5.341 ppm2 2.914
ASSI { 2140}
(( segid " A" and resid 82 and name HA ))
(( segid " A" and resid 82 and name HB1 ))
4.686 2.343 2.343 peak 2140 weight 1.00000E+00 volume 7.34788E+03 ppm1 5.337 ppm2 2.973
ASSI { 2141}
(( segid " A" and resid 82 and name HA ))
(( segid " A" and resid 72 and name HA ))
3.861 1.930 1.930 peak 2141 weight 1.00000E+00 volume 1.88008E+04 ppm1 5.329 ppm2 4.120
ASSI { 2142}
( segid " A" and resid 82 and name HD# )
(( segid " A" and resid 82 and name HA ))
3.854 1.927 1.927 peak 2142 weight 1.00000E+00 volume 1.21556E+04 ppm1 5.338 ppm2 6.995
ASSI { 2143}
(( segid " A" and resid 73 and name HN ))
(( segid " A" and resid 82 and name HA ))
3.426 1.706 1.713 peak 2143 weight 1.00000E+00 volume 5.66344E+05 ppm1 5.348 ppm2 8.787
ASSI { 2144}
(( segid " A" and resid 82 and name HN ))
(( segid " A" and resid 82 and name HA ))
3.718 1.859 1.859 peak 2144 weight 1.00000E+00 volume 3.46332E+05 ppm1 5.335 ppm2 9.058
ASSI { 2145}
(( segid " A" and resid 83 and name HN ))
(( segid " A" and resid 82 and name HB2 ))
4.365 2.183 2.183 peak 2145 weight 1.00000E+00 volume 9.35550E+03 ppm1 2.904 ppm2 9.325
ASSI { 2146}
(( segid " A" and resid 83 and name HN ))
(( segid " A" and resid 82 and name HB1 ))
4.397 2.199 2.199 peak 2146 weight 1.00000E+00 volume 1.16309E+04 ppm1 2.970 ppm2 9.324
ASSI { 2147}
(( segid " A" and resid 82 and name HN ))
(( segid " A" and resid 82 and name HB1 ))
4.725 2.363 2.363 peak 2147 weight 1.00000E+00 volume 2.31294E+04 ppm1 2.971 ppm2 9.059
ASSI { 2148}
(( segid " A" and resid 91 and name HN ))
(( segid " A" and resid 82 and name HB1 ))
5.059 2.530 2.530 peak 2148 weight 1.00000E+00 volume 5.51825E+03 ppm1 2.964 ppm2 8.930
ASSI { 2149}
( segid " A" and resid 82 and name HD# )
(( segid " A" and resid 82 and name HB1 ))
3.379 1.659 1.689 peak 2149 weight 1.00000E+00 volume 1.28490E+04 ppm1 2.970 ppm2 6.996
ASSI { 2151}
(( segid " A" and resid 82 and name HA ))
(( segid " A" and resid 82 and name HB2 ))
3.993 1.996 1.996 peak 2151 weight 1.00000E+00 volume 7.69550E+03 ppm1 2.906 ppm2 5.349
ASSI { 2152}
(( segid " A" and resid 82 and name HA ))
(( segid " A" and resid 82 and name HB1 ))
3.652 1.826 1.826 peak 2152 weight 1.00000E+00 volume 1.25411E+04 ppm1 2.971 ppm2 5.347
ASSI { 2153}
(( segid " A" and resid 70 and name HB1 ))
(( segid " A" and resid 82 and name HB1 ))
3.138 1.418 1.569 peak 2153 weight 1.00000E+00 volume 1.29919E+04 ppm1 2.971 ppm2 1.801
ASSI { 2156}
( segid " A" and resid 91 and name HG2#)
(( segid " A" and resid 82 and name HB2 ))
3.967 1.983 1.983 peak 2156 weight 1.00000E+00 volume 2.35000E+05 ppm1 2.912 ppm2 0.965
ASSI { 2160}
(( segid " A" and resid 83 and name HA ))
(( segid " A" and resid 83 and name HB2 ))
3.025 1.305 1.512 peak 2160 weight 1.00000E+00 volume 1.19496E+06 ppm1 5.158 ppm2 2.004
ASSI { 2162}
(( segid " A" and resid 91 and name HN ))
(( segid " A" and resid 83 and name HA ))
3.368 1.648 1.684 peak 2162 weight 1.00000E+00 volume 3.01372E+04 ppm1 5.167 ppm2 8.931
ASSI { 2163}
(( segid " A" and resid 83 and name HN ))
(( segid " A" and resid 83 and name HA ))
4.268 2.134 2.134 peak 2163 weight 1.00000E+00 volume 9.74238E+03 ppm1 5.168 ppm2 9.323
ASSI { 2164}
(( segid " A" and resid 83 and name HN ))
(( segid " A" and resid 83 and name HB2 ))
4.177 2.088 2.088 peak 2164 weight 1.00000E+00 volume 1.72430E+05 ppm1 2.000 ppm2 9.321
ASSI { 2165}
(( segid " A" and resid 71 and name HN ))
(( segid " A" and resid 83 and name HB2 ))
3.597 1.799 1.799 peak 2165 weight 1.00000E+00 volume 4.22639E+05 ppm1 2.002 ppm2 9.080
ASSI { 2166}
(( segid " A" and resid 83 and name HA ))
(( segid " A" and resid 83 and name HB2 ))
3.068 1.348 1.534 peak 2166 weight 1.00000E+00 volume 1.09854E+06 ppm1 1.999 ppm2 5.169
ASSI { 2169}
( segid " A" and resid 73 and name HD1#)
(( segid " A" and resid 83 and name HB2 ))
3.993 1.996 1.996 peak 2169 weight 1.00000E+00 volume 9.61612E+03 ppm1 1.994 ppm2 1.136
ASSI { 2170}
( segid " A" and resid 73 and name HD2#)
(( segid " A" and resid 83 and name HB2 ))
2.794 1.074 1.397 peak 2170 weight 1.00000E+00 volume 1.12112E+05 ppm1 2.000 ppm2 0.946
ASSI { 2172}
(( segid " A" and resid 84 and name HB2 ))
(( segid " A" and resid 87 and name HN ))
4.335 2.168 2.168 peak 2172 weight 1.00000E+00 volume 1.10682E+04 ppm1 2.513 ppm2 8.072
ASSI { 2173}
(( segid " A" and resid 88 and name HN ))
(( segid " A" and resid 84 and name HB2 ))
3.979 1.989 1.989 peak 2173 weight 1.00000E+00 volume 2.30847E+05 ppm1 2.509 ppm2 7.937
ASSI { 2174}
(( segid " A" and resid 89 and name HN ))
(( segid " A" and resid 84 and name HB2 ))
4.052 2.026 2.026 peak 2174 weight 1.00000E+00 volume 2.06828E+05 ppm1 2.512 ppm2 7.662
ASSI { 2175}
(( segid " A" and resid 84 and name HB2 ))
( segid " A" and resid 88 and name HD# )
5.378 2.689 2.622 peak 2175 weight 1.00000E+00 volume 9.75600E+03 ppm1 2.508 ppm2 7.184
ASSI { 2176}
(( segid " A" and resid 70 and name HA ))
(( segid " A" and resid 84 and name HB2 ))
3.920 1.960 1.960 peak 2176 weight 1.00000E+00 volume 1.39416E+04 ppm1 2.517 ppm2 5.174
ASSI { 2177}
(( segid " A" and resid 84 and name HB2 ))
(( segid " A" and resid 84 and name HA ))
2.754 1.034 1.377 peak 2177 weight 1.00000E+00 volume 6.42424E+04 ppm1 2.516 ppm2 4.667
ASSI { 2178}
(( segid " A" and resid 84 and name HB2 ))
(( segid " A" and resid 88 and name HA ))
4.404 2.202 2.202 peak 2178 weight 1.00000E+00 volume 1.25434E+05 ppm1 2.521 ppm2 4.423
ASSI { 2179}
(( segid " A" and resid 89 and name HA ))
(( segid " A" and resid 84 and name HB2 ))
3.670 1.835 1.835 peak 2179 weight 1.00000E+00 volume 3.74404E+05 ppm1 2.523 ppm2 4.351
ASSI { 2180}
(( segid " A" and resid 84 and name HB2 ))
(( segid " A" and resid 88 and name HB1 ))
5.314 2.657 2.657 peak 2180 weight 1.00000E+00 volume -4.06611E+04 ppm1 2.509 ppm2 3.345
ASSI { 2181}
(( segid " A" and resid 84 and name HB2 ))
(( segid " A" and resid 70 and name HB2 ))
5.156 2.578 2.578 peak 2181 weight 1.00000E+00 volume 4.87220E+04 ppm1 2.516 ppm2 1.613
ASSI { 2183}
(( segid " A" and resid 85 and name HB2 ))
(( segid " A" and resid 85 and name HA ))
4.501 2.250 2.250 peak 2183 weight 1.00000E+00 volume 1.12532E+04 ppm1 4.324 ppm2 2.631
ASSI { 2184}
(( segid " A" and resid 85 and name HB1 ))
(( segid " A" and resid 85 and name HA ))
3.357 1.637 1.679 peak 2184 weight 1.00000E+00 volume 6.39512E+05 ppm1 4.324 ppm2 2.792
ASSI { 2185}
(( segid " A" and resid 85 and name HN ))
(( segid " A" and resid 85 and name HA ))
3.677 1.839 1.839 peak 2185 weight 1.00000E+00 volume 3.70382E+05 ppm1 4.331 ppm2 8.680
ASSI { 2186}
(( segid " A" and resid 86 and name HN ))
(( segid " A" and resid 85 and name HA ))
3.546 1.773 1.773 peak 2186 weight 1.00000E+00 volume 6.21362E+03 ppm1 4.333 ppm2 8.706
ASSI { 2187}
(( segid " A" and resid 85 and name HN ))
(( segid " A" and resid 85 and name HB2 ))
4.120 2.060 2.060 peak 2187 weight 1.00000E+00 volume 2.81505E+04 ppm1 2.636 ppm2 8.691
ASSI { 2188}
(( segid " A" and resid 85 and name HB2 ))
(( segid " A" and resid 85 and name HA ))
3.280 1.560 1.640 peak 2188 weight 1.00000E+00 volume 3.98599E+04 ppm1 2.637 ppm2 4.322
ASSI { 2189}
(( segid " A" and resid 85 and name HB1 ))
(( segid " A" and resid 85 and name HA ))
2.887 1.167 1.444 peak 2189 weight 1.00000E+00 volume 1.57997E+06 ppm1 2.784 ppm2 4.328
ASSI { 2190}
(( segid " A" and resid 85 and name HN ))
(( segid " A" and resid 85 and name HB1 ))
3.997 1.998 1.998 peak 2190 weight 1.00000E+00 volume 2.24665E+05 ppm1 2.790 ppm2 8.690
ASSI { 2191}
(( segid " A" and resid 86 and name HN ))
(( segid " A" and resid 85 and name HB1 ))
3.983 1.991 1.991 peak 2191 weight 1.00000E+00 volume 2.29380E+05 ppm1 2.789 ppm2 8.721
ASSI { 2192}
(( segid " A" and resid 86 and name HN ))
(( segid " A" and resid 86 and name HA ))
4.374 2.187 2.187 peak 2192 weight 1.00000E+00 volume 1.30666E+05 ppm1 4.205 ppm2 8.718
ASSI { 2193}
(( segid " A" and resid 87 and name HN ))
(( segid " A" and resid 86 and name HA ))
4.794 2.397 2.397 peak 2193 weight 1.00000E+00 volume 1.45025E+04 ppm1 4.220 ppm2 8.079
ASSI { 2194}
(( segid " A" and resid 86 and name HB2 ))
(( segid " A" and resid 86 and name HA ))
3.401 1.681 1.701 peak 2194 weight 1.00000E+00 volume 3.39122E+04 ppm1 4.198 ppm2 1.966
ASSI { 2195}
(( segid " A" and resid 86 and name HB2 ))
(( segid " A" and resid 86 and name HA ))
2.961 1.241 1.480 peak 2195 weight 1.00000E+00 volume 9.73198E+04 ppm1 1.967 ppm2 4.203
ASSI { 2196}
(( segid " A" and resid 88 and name HN ))
(( segid " A" and resid 86 and name HB2 ))
3.387 1.667 1.694 peak 2196 weight 1.00000E+00 volume 6.05996E+05 ppm1 1.966 ppm2 7.934
ASSI { 2197}
(( segid " A" and resid 87 and name HN ))
(( segid " A" and resid 86 and name HB2 ))
3.443 1.722 1.722 peak 2197 weight 1.00000E+00 volume 5.49586E+05 ppm1 1.965 ppm2 8.072
ASSI { 2199}
(( segid " A" and resid 86 and name HN ))
(( segid " A" and resid 86 and name HB2 ))
3.108 1.388 1.554 peak 2199 weight 1.00000E+00 volume 7.77506E+04 ppm1 1.965 ppm2 8.718
ASSI { 2200}
(( segid " A" and resid 87 and name HN ))
(( segid " A" and resid 87 and name HA ))
3.356 1.636 1.678 peak 2200 weight 1.00000E+00 volume 6.40769E+05 ppm1 4.312 ppm2 8.074
ASSI { 2201}
(( segid " A" and resid 88 and name HN ))
(( segid " A" and resid 87 and name HA ))
4.334 2.167 2.167 peak 2201 weight 1.00000E+00 volume 1.38213E+05 ppm1 4.314 ppm2 7.935
ASSI { 2202}
(( segid " A" and resid 87 and name HB2 ))
(( segid " A" and resid 87 and name HA ))
3.125 1.405 1.563 peak 2202 weight 1.00000E+00 volume 9.82688E+05 ppm1 4.308 ppm2 3.668
ASSI { 2203}
(( segid " A" and resid 87 and name HB2 ))
(( segid " A" and resid 87 and name HA ))
2.924 1.204 1.462 peak 2203 weight 1.00000E+00 volume 1.46515E+06 ppm1 3.675 ppm2 4.315
ASSI { 2204}
(( segid " A" and resid 88 and name HN ))
(( segid " A" and resid 87 and name HB2 ))
4.221 2.110 2.110 peak 2204 weight 1.00000E+00 volume 8.65162E+03 ppm1 3.671 ppm2 7.926
ASSI { 2205}
(( segid " A" and resid 88 and name HA ))
(( segid " A" and resid 90 and name HN ))
4.525 2.262 2.262 peak 2205 weight 1.00000E+00 volume 7.60475E+03 ppm1 4.422 ppm2 8.723
ASSI { 2206}
(( segid " A" and resid 88 and name HN ))
(( segid " A" and resid 88 and name HA ))
3.437 1.717 1.718 peak 2206 weight 1.00000E+00 volume 3.23364E+04 ppm1 4.422 ppm2 7.934
ASSI { 2207}
(( segid " A" and resid 89 and name HN ))
(( segid " A" and resid 88 and name HA ))
5.478 2.739 2.522 peak 2207 weight 1.00000E+00 volume 1.68945E+04 ppm1 4.420 ppm2 7.660
ASSI { 2208}
(( segid " A" and resid 88 and name HA ))
( segid " A" and resid 88 and name HD# )
3.502 1.751 1.751 peak 2208 weight 1.00000E+00 volume 4.96172E+05 ppm1 4.422 ppm2 7.183
ASSI { 2209}
(( segid " A" and resid 88 and name HA ))
(( segid " A" and resid 88 and name HB2 ))
3.748 1.874 1.874 peak 2209 weight 1.00000E+00 volume 3.30117E+05 ppm1 4.421 ppm2 3.459
ASSI { 2210}
(( segid " A" and resid 88 and name HA ))
(( segid " A" and resid 88 and name HB1 ))
3.457 1.728 1.728 peak 2210 weight 1.00000E+00 volume 2.23145E+04 ppm1 4.425 ppm2 3.349
ASSI { 2211}
(( segid " A" and resid 88 and name HB2 ))
(( segid " A" and resid 88 and name HB1 ))
2.687 0.967 1.343 peak 2211 weight 1.00000E+00 volume 9.97130E+04 ppm1 3.349 ppm2 3.461
ASSI { 2212}
(( segid " A" and resid 88 and name HN ))
(( segid " A" and resid 88 and name HB1 ))
4.376 2.188 2.188 peak 2212 weight 1.00000E+00 volume 1.30369E+05 ppm1 3.343 ppm2 7.939
ASSI { 2213}
(( segid " A" and resid 88 and name HN ))
(( segid " A" and resid 88 and name HB2 ))
4.331 2.166 2.166 peak 2213 weight 1.00000E+00 volume 1.38658E+05 ppm1 3.459 ppm2 7.934
ASSI { 2215}
(( segid " A" and resid 89 and name HA ))
(( segid " A" and resid 90 and name HN ))
3.214 1.494 1.607 peak 2215 weight 1.00000E+00 volume 8.30483E+05 ppm1 4.356 ppm2 8.726
ASSI { 2216}
(( segid " A" and resid 84 and name HN ))
(( segid " A" and resid 89 and name HA ))
3.297 1.577 1.649 peak 2216 weight 1.00000E+00 volume 7.12596E+05 ppm1 4.356 ppm2 8.684
ASSI { 2217}
(( segid " A" and resid 89 and name HN ))
(( segid " A" and resid 89 and name HA ))
3.399 1.679 1.699 peak 2217 weight 1.00000E+00 volume 5.94162E+05 ppm1 4.349 ppm2 7.660
ASSI { 2218}
(( segid " A" and resid 83 and name HA ))
(( segid " A" and resid 89 and name HA ))
4.128 2.064 2.064 peak 2218 weight 1.00000E+00 volume -1.85085E+05 ppm1 4.354 ppm2 5.169
ASSI { 2219}
(( segid " A" and resid 89 and name HA ))
(( segid " A" and resid 84 and name HB2 ))
4.833 2.417 2.417 peak 2219 weight 1.00000E+00 volume 2.77950E+04 ppm1 4.347 ppm2 2.519
ASSI { 2220}
(( segid " A" and resid 89 and name HA ))
(( segid " A" and resid 89 and name HG2 ))
3.370 1.650 1.685 peak 2220 weight 1.00000E+00 volume 6.72842E+04 ppm1 4.353 ppm2 2.257
ASSI { 2221}
(( segid " A" and resid 89 and name HA ))
(( segid " A" and resid 89 and name HB2 ))
2.902 1.182 1.451 peak 2221 weight 1.00000E+00 volume 7.16399E+04 ppm1 4.351 ppm2 1.998
ASSI { 2222}
(( segid " A" and resid 89 and name HA ))
(( segid " A" and resid 89 and name HB2 ))
2.902 1.182 1.451 peak 2222 weight 1.00000E+00 volume 1.53406E+06 ppm1 4.351 ppm2 2.003
ASSI { 2223}
(( segid " A" and resid 89 and name HA ))
(( segid " A" and resid 89 and name HB1 ))
2.651 0.931 1.326 peak 2223 weight 1.00000E+00 volume 2.63700E+06 ppm1 4.348 ppm2 1.811
ASSI { 2225}
(( segid " A" and resid 89 and name HA ))
(( segid " A" and resid 89 and name HB1 ))
3.031 1.311 1.516 peak 2225 weight 1.00000E+00 volume 1.18056E+06 ppm1 1.806 ppm2 4.354
ASSI { 2226}
(( segid " A" and resid 89 and name HA ))
(( segid " A" and resid 89 and name HB2 ))
2.988 1.268 1.494 peak 2226 weight 1.00000E+00 volume 1.28551E+06 ppm1 2.000 ppm2 4.352
ASSI { 2230}
(( segid " A" and resid 89 and name HN ))
(( segid " A" and resid 89 and name HB1 ))
3.295 1.575 1.648 peak 2230 weight 1.00000E+00 volume 2.34330E+04 ppm1 1.802 ppm2 7.663
ASSI { 2231}
(( segid " A" and resid 89 and name HN ))
(( segid " A" and resid 89 and name HB2 ))
4.154 2.077 2.077 peak 2231 weight 1.00000E+00 volume 2.87608E+04 ppm1 1.989 ppm2 7.661
ASSI { 2232}
(( segid " A" and resid 89 and name HB1 ))
(( segid " A" and resid 90 and name HN ))
3.364 1.644 1.682 peak 2232 weight 1.00000E+00 volume 1.85829E+04 ppm1 1.804 ppm2 8.726
ASSI { 2233}
(( segid " A" and resid 89 and name HB2 ))
(( segid " A" and resid 90 and name HN ))
3.120 1.400 1.560 peak 2233 weight 1.00000E+00 volume 9.91695E+05 ppm1 1.998 ppm2 8.725
ASSI { 2234}
(( segid " A" and resid 90 and name HA ))
(( segid " A" and resid 90 and name HN ))
3.561 1.780 1.780 peak 2234 weight 1.00000E+00 volume 4.49306E+05 ppm1 5.440 ppm2 8.725
ASSI { 2235}
(( segid " A" and resid 83 and name HA ))
(( segid " A" and resid 90 and name HA ))
3.052 1.332 1.526 peak 2235 weight 1.00000E+00 volume 6.69190E+04 ppm1 5.446 ppm2 5.165
ASSI { 2237}
(( segid " A" and resid 90 and name HB2 ))
(( segid " A" and resid 90 and name HA ))
3.022 1.302 1.511 peak 2237 weight 1.00000E+00 volume 1.20173E+06 ppm1 5.441 ppm2 1.948
ASSI { 2239}
(( segid " A" and resid 90 and name HB2 ))
(( segid " A" and resid 90 and name HA ))
3.683 1.841 1.841 peak 2239 weight 1.00000E+00 volume 3.66849E+05 ppm1 1.949 ppm2 5.441
ASSI { 2240}
(( segid " A" and resid 90 and name HB2 ))
(( segid " A" and resid 90 and name HN ))
3.040 1.320 1.520 peak 2240 weight 1.00000E+00 volume 1.15962E+06 ppm1 1.952 ppm2 8.726
ASSI { 2241}
(( segid " A" and resid 91 and name HN ))
(( segid " A" and resid 90 and name HB2 ))
3.281 1.561 1.641 peak 2241 weight 1.00000E+00 volume 7.33707E+05 ppm1 1.953 ppm2 8.933
ASSI { 2242}
(( segid " A" and resid 91 and name HB ))
(( segid " A" and resid 82 and name HB2 ))
4.490 2.245 2.245 peak 2242 weight 1.00000E+00 volume 1.11732E+05 ppm1 3.748 ppm2 2.911
ASSI { 2243}
(( segid " A" and resid 82 and name HN ))
(( segid " A" and resid 91 and name HB ))
3.337 1.617 1.669 peak 2243 weight 1.00000E+00 volume 6.63005E+05 ppm1 3.758 ppm2 9.060
ASSI { 2244}
(( segid " A" and resid 82 and name HN ))
(( segid " A" and resid 92 and name HA ))
3.504 1.752 1.752 peak 2244 weight 1.00000E+00 volume 4.95010E+05 ppm1 5.581 ppm2 9.061
ASSI { 2245}
(( segid " A" and resid 92 and name HA ))
(( segid " A" and resid 92 and name HN ))
4.419 2.210 2.210 peak 2245 weight 1.00000E+00 volume 1.22946E+05 ppm1 5.591 ppm2 8.259
ASSI { 2246}
(( segid " A" and resid 92 and name HA ))
(( segid " A" and resid 81 and name HA ))
3.121 1.401 1.561 peak 2246 weight 1.00000E+00 volume 9.89697E+05 ppm1 5.591 ppm2 4.435
ASSI { 2247}
(( segid " A" and resid 92 and name HA ))
(( segid " A" and resid 92 and name HB2 ))
3.485 1.742 1.742 peak 2247 weight 1.00000E+00 volume 4.49310E+04 ppm1 5.591 ppm2 1.896
ASSI { 2248}
(( segid " A" and resid 93 and name HB1 ))
(( segid " A" and resid 92 and name HA ))
4.264 2.132 2.132 peak 2248 weight 1.00000E+00 volume 1.13099E+04 ppm1 5.590 ppm2 1.681
ASSI { 2249}
(( segid " A" and resid 93 and name HB2 ))
(( segid " A" and resid 92 and name HA ))
3.933 1.966 1.966 peak 2249 weight 1.00000E+00 volume 2.47535E+05 ppm1 5.594 ppm2 1.555
ASSI { 2250}
(( segid " A" and resid 92 and name HA ))
( segid " A" and resid 91 and name HG2#)
3.872 1.936 1.936 peak 2250 weight 1.00000E+00 volume 2.71808E+05 ppm1 5.590 ppm2 0.968
ASSI { 2251}
(( segid " A" and resid 92 and name HA ))
(( segid " A" and resid 92 and name HB2 ))
4.461 2.231 2.231 peak 2251 weight 1.00000E+00 volume -1.16101E+05 ppm1 1.891 ppm2 5.598
ASSI { 2252}
(( segid " A" and resid 92 and name HN ))
(( segid " A" and resid 92 and name HB2 ))
4.402 2.201 2.201 peak 2252 weight 1.00000E+00 volume -1.25877E+05 ppm1 1.885 ppm2 8.255
ASSI { 2253}
(( segid " A" and resid 93 and name HN ))
(( segid " A" and resid 92 and name HB2 ))
3.750 1.875 1.875 peak 2253 weight 1.00000E+00 volume 3.29435E+05 ppm1 1.898 ppm2 9.248
ASSI { 2254}
(( segid " A" and resid 92 and name HG2 ))
( segid " A" and resid 91 and name HG2#)
3.546 1.773 1.773 peak 2254 weight 1.00000E+00 volume 4.60290E+05 ppm1 2.146 ppm2 0.963
ASSI { 2255}
(( segid " A" and resid 92 and name HG2 ))
(( segid " A" and resid 92 and name HA ))
3.634 1.817 1.817 peak 2255 weight 1.00000E+00 volume 3.97498E+05 ppm1 2.149 ppm2 5.594
ASSI { 2256}
(( segid " A" and resid 92 and name HG2 ))
(( segid " A" and resid 92 and name HN ))
5.075 2.538 2.538 peak 2256 weight 1.00000E+00 volume 3.03535E+04 ppm1 2.161 ppm2 8.256
ASSI { 2257}
(( segid " A" and resid 93 and name HN ))
(( segid " A" and resid 93 and name HA ))
4.606 2.303 2.303 peak 2257 weight 1.00000E+00 volume 1.08964E+04 ppm1 4.846 ppm2 9.256
ASSI { 2258}
(( segid " A" and resid 93 and name HA ))
(( segid " A" and resid 93 and name HB1 ))
3.279 1.559 1.639 peak 2258 weight 1.00000E+00 volume 5.29395E+04 ppm1 4.845 ppm2 1.675
ASSI { 2259}
( segid " A" and resid 98 and name HD1#)
(( segid " A" and resid 93 and name HB2 ))
3.266 1.546 1.633 peak 2259 weight 1.00000E+00 volume 7.54540E+05 ppm1 1.556 ppm2 0.669
ASSI { 2260}
(( segid " A" and resid 93 and name HB1 ))
(( segid " A" and resid 80 and name HB2 ))
4.525 2.263 2.263 peak 2260 weight 1.00000E+00 volume 1.06606E+05 ppm1 1.682 ppm2 2.883
ASSI { 2261}
(( segid " A" and resid 93 and name HB2 ))
(( segid " A" and resid 80 and name HB2 ))
4.760 2.380 2.380 peak 2261 weight 1.00000E+00 volume -3.41125E+02 ppm1 1.551 ppm2 2.883
ASSI { 2262}
(( segid " A" and resid 93 and name HB2 ))
(( segid " A" and resid 80 and name HB1 ))
4.646 2.323 2.323 peak 2262 weight 1.00000E+00 volume -8.04125E+02 ppm1 1.552 ppm2 2.948
ASSI { 2263}
(( segid " A" and resid 93 and name HA ))
(( segid " A" and resid 93 and name HB2 ))
3.820 1.910 1.910 peak 2263 weight 1.00000E+00 volume 8.44850E+03 ppm1 1.560 ppm2 4.844
ASSI { 2264}
(( segid " A" and resid 93 and name HA ))
(( segid " A" and resid 93 and name HB1 ))
3.969 1.984 1.984 peak 2264 weight 1.00000E+00 volume 9.17750E+03 ppm1 1.678 ppm2 4.850
ASSI { 2265}
(( segid " A" and resid 93 and name HB2 ))
(( segid " A" and resid 92 and name HA ))
5.121 2.561 2.561 peak 2265 weight 1.00000E+00 volume -1.18250E+02 ppm1 1.554 ppm2 5.598
ASSI { 2266}
(( segid " A" and resid 93 and name HB1 ))
(( segid " A" and resid 92 and name HA ))
4.236 2.118 2.118 peak 2266 weight 1.00000E+00 volume 5.52238E+03 ppm1 1.676 ppm2 5.595
ASSI { 2267}
(( segid " A" and resid 93 and name HB2 ))
( segid " A" and resid 82 and name HD# )
4.009 2.004 2.004 peak 2267 weight 1.00000E+00 volume 2.20636E+05 ppm1 1.556 ppm2 6.992
ASSI { 2268}
(( segid " A" and resid 93 and name HB1 ))
( segid " A" and resid 82 and name HD# )
4.180 2.090 2.090 peak 2268 weight 1.00000E+00 volume 1.71675E+05 ppm1 1.679 ppm2 6.996
ASSI { 2269}
(( segid " A" and resid 94 and name HN ))
(( segid " A" and resid 93 and name HB2 ))
4.427 2.213 2.213 peak 2269 weight 1.00000E+00 volume 1.21678E+05 ppm1 1.556 ppm2 8.492
ASSI { 2270}
(( segid " A" and resid 94 and name HN ))
(( segid " A" and resid 93 and name HB1 ))
4.507 2.253 2.253 peak 2270 weight 1.00000E+00 volume 1.09271E+05 ppm1 1.679 ppm2 8.494
ASSI { 2271}
(( segid " A" and resid 80 and name HN ))
(( segid " A" and resid 93 and name HB1 ))
4.503 2.251 2.251 peak 2271 weight 1.00000E+00 volume 1.09857E+05 ppm1 1.681 ppm2 9.035
ASSI { 2272}
(( segid " A" and resid 80 and name HN ))
(( segid " A" and resid 93 and name HB2 ))
4.113 2.057 2.057 peak 2272 weight 1.00000E+00 volume 1.89016E+05 ppm1 1.555 ppm2 9.036
ASSI { 2273}
(( segid " A" and resid 93 and name HN ))
(( segid " A" and resid 93 and name HB1 ))
4.307 2.154 2.154 peak 2273 weight 1.00000E+00 volume 4.37225E+03 ppm1 1.676 ppm2 9.251
ASSI { 2274}
(( segid " A" and resid 93 and name HN ))
(( segid " A" and resid 93 and name HB2 ))
3.808 1.904 1.904 peak 2274 weight 1.00000E+00 volume 3.00253E+05 ppm1 1.552 ppm2 9.252
ASSI { 2275}
(( segid " A" and resid 94 and name HN ))
(( segid " A" and resid 94 and name HA ))
4.005 2.003 2.003 peak 2275 weight 1.00000E+00 volume 1.70084E+04 ppm1 5.254 ppm2 8.488
ASSI { 2276}
( segid " A" and resid 93 and name HD1#)
(( segid " A" and resid 94 and name HA ))
5.278 2.639 2.639 peak 2276 weight 1.00000E+00 volume 4.28638E+03 ppm1 5.258 ppm2 0.554
ASSI { 2277}
(( segid " A" and resid 94 and name HB2 ))
( segid " A" and resid 93 and name HD1#)
4.177 2.089 2.089 peak 2277 weight 1.00000E+00 volume 2.02224E+04 ppm1 4.039 ppm2 0.558
ASSI { 2278}
(( segid " A" and resid 94 and name HB2 ))
(( segid " A" and resid 96 and name HB2 ))
4.064 2.032 2.032 peak 2278 weight 1.00000E+00 volume 9.77725E+03 ppm1 4.051 ppm2 2.467
ASSI { 2279}
(( segid " A" and resid 97 and name HN ))
(( segid " A" and resid 94 and name HB2 ))
4.192 2.096 2.096 peak 2279 weight 1.00000E+00 volume 6.12250E+03 ppm1 4.035 ppm2 7.885
ASSI { 2280}
(( segid " A" and resid 94 and name HB2 ))
(( segid " A" and resid 96 and name HN ))
4.712 2.356 2.356 peak 2280 weight 1.00000E+00 volume 8.17475E+03 ppm1 4.049 ppm2 8.340
ASSI { 2281}
(( segid " A" and resid 95 and name HN ))
(( segid " A" and resid 95 and name HA ))
4.513 2.256 2.256 peak 2281 weight 1.00000E+00 volume 1.09808E+04 ppm1 4.621 ppm2 8.763
ASSI { 2282}
(( segid " A" and resid 95 and name HA ))
(( segid " A" and resid 96 and name HN ))
5.602 2.801 2.398 peak 2282 weight 1.00000E+00 volume 6.46762E+03 ppm1 4.636 ppm2 8.361
ASSI { 2283}
(( segid " A" and resid 99 and name HN ))
(( segid " A" and resid 95 and name HA ))
4.097 2.049 2.049 peak 2283 weight 1.00000E+00 volume 7.70375E+03 ppm1 4.628 ppm2 7.225
ASSI { 2285}
(( segid " A" and resid 95 and name HA ))
(( segid " A" and resid 95 and name HB2 ))
3.967 1.983 1.983 peak 2285 weight 1.00000E+00 volume -2.34914E+05 ppm1 4.624 ppm2 4.044
ASSI { 2286}
( segid " A" and resid 98 and name HD1#)
(( segid " A" and resid 95 and name HA ))
3.719 1.859 1.859 peak 2286 weight 1.00000E+00 volume 3.46060E+05 ppm1 4.619 ppm2 0.675
ASSI { 2288}
(( segid " A" and resid 95 and name HB2 ))
(( segid " A" and resid 78 and name HB1 ))
8.000 4.000 0.000 peak 2288 weight 1.00000E+00 volume 1.26040E+04 ppm1 4.044 ppm2 2.542
ASSI { 2290}
(( segid " A" and resid 95 and name HA ))
(( segid " A" and resid 95 and name HB2 ))
2.968 1.248 1.484 peak 2290 weight 1.00000E+00 volume 3.54011E+04 ppm1 4.038 ppm2 4.633
ASSI { 2292}
(( segid " A" and resid 95 and name HB2 ))
(( segid " A" and resid 96 and name HN ))
4.266 2.133 2.133 peak 2292 weight 1.00000E+00 volume 9.05912E+03 ppm1 4.042 ppm2 8.352
ASSI { 2293}
(( segid " A" and resid 95 and name HN ))
(( segid " A" and resid 95 and name HB2 ))
3.331 1.611 1.665 peak 2293 weight 1.00000E+00 volume 3.63305E+04 ppm1 4.044 ppm2 8.761
ASSI { 2294}
(( segid " A" and resid 97 and name HN ))
(( segid " A" and resid 96 and name HA ))
3.962 1.981 1.981 peak 2294 weight 1.00000E+00 volume 1.84089E+04 ppm1 4.281 ppm2 7.878
ASSI { 2295}
(( segid " A" and resid 96 and name HA ))
(( segid " A" and resid 95 and name HB2 ))
3.209 1.489 1.604 peak 2295 weight 1.00000E+00 volume 3.80332E+04 ppm1 4.284 ppm2 4.040
ASSI { 2296}
(( segid " A" and resid 96 and name HA ))
(( segid " A" and resid 96 and name HB2 ))
2.849 1.129 1.425 peak 2296 weight 1.00000E+00 volume 6.37612E+04 ppm1 4.277 ppm2 2.469
ASSI { 2297}
(( segid " A" and resid 97 and name HA ))
(( segid " A" and resid 96 and name HB2 ))
2.869 1.149 1.435 peak 2297 weight 1.00000E+00 volume 1.06704E+05 ppm1 2.457 ppm2 4.270
ASSI { 2299}
(( segid " A" and resid 97 and name HA ))
(( segid " A" and resid 100 and name HN ))
7.375 3.687 0.625 peak 2299 weight 1.00000E+00 volume -5.69175E+03 ppm1 4.260 ppm2 8.539
ASSI { 2300}
(( segid " A" and resid 97 and name HA ))
(( segid " A" and resid 96 and name HB2 ))
3.412 1.692 1.706 peak 2300 weight 1.00000E+00 volume 2.40698E+04 ppm1 4.271 ppm2 2.465
ASSI { 2301}
(( segid " A" and resid 97 and name HB2 ))
( segid " A" and resid 93 and name HD1#)
4.422 2.211 2.211 peak 2301 weight 1.00000E+00 volume 1.22438E+05 ppm1 3.103 ppm2 0.556
ASSI { 2302}
(( segid " A" and resid 97 and name HB2 ))
(( segid " A" and resid 97 and name HA ))
3.145 1.425 1.573 peak 2302 weight 1.00000E+00 volume 9.45444E+05 ppm1 3.097 ppm2 4.276
ASSI { 2303}
(( segid " A" and resid 98 and name HN ))
(( segid " A" and resid 97 and name HB2 ))
3.833 1.917 1.917 peak 2303 weight 1.00000E+00 volume 2.88600E+05 ppm1 3.103 ppm2 7.424
ASSI { 2304}
(( segid " A" and resid 97 and name HN ))
(( segid " A" and resid 97 and name HB2 ))
3.894 1.947 1.947 peak 2304 weight 1.00000E+00 volume 1.11541E+04 ppm1 3.103 ppm2 7.872
ASSI { 2305}
(( segid " A" and resid 101 and name HN ))
(( segid " A" and resid 98 and name HA ))
3.814 1.907 1.907 peak 2305 weight 1.00000E+00 volume 1.26151E+04 ppm1 4.826 ppm2 8.907
ASSI { 2306}
(( segid " A" and resid 99 and name HN ))
(( segid " A" and resid 98 and name HA ))
3.698 1.849 1.849 peak 2306 weight 1.00000E+00 volume 2.62401E+04 ppm1 4.829 ppm2 7.220
ASSI { 2307}
(( segid " A" and resid 98 and name HA ))
(( segid " A" and resid 101 and name HB2 ))
3.363 1.643 1.681 peak 2307 weight 1.00000E+00 volume 4.71192E+04 ppm1 4.822 ppm2 2.240
ASSI { 2308}
(( segid " A" and resid 98 and name HA ))
(( segid " A" and resid 101 and name HB1 ))
3.224 1.504 1.612 peak 2308 weight 1.00000E+00 volume 4.70376E+04 ppm1 4.830 ppm2 2.066
ASSI { 2309}
(( segid " A" and resid 98 and name HA ))
(( segid " A" and resid 98 and name HB2 ))
3.290 1.570 1.645 peak 2309 weight 1.00000E+00 volume 6.20272E+04 ppm1 4.832 ppm2 1.597
ASSI { 2310}
(( segid " A" and resid 98 and name HA ))
( segid " A" and resid 98 and name HD1#)
2.889 1.169 1.444 peak 2310 weight 1.00000E+00 volume 1.57603E+06 ppm1 4.822 ppm2 0.662
ASSI { 2311}
( segid " A" and resid 98 and name HD1#)
(( segid " A" and resid 98 and name HB2 ))
3.498 1.749 1.749 peak 2311 weight 1.00000E+00 volume 8.84450E+03 ppm1 1.601 ppm2 0.665
ASSI { 2312}
(( segid " A" and resid 98 and name HB2 ))
( segid " A" and resid 93 and name HD1#)
5.294 2.647 2.647 peak 2312 weight 1.00000E+00 volume 4.15654E+04 ppm1 1.604 ppm2 0.558
ASSI { 2313}
(( segid " A" and resid 98 and name HB2 ))
(( segid " A" and resid 95 and name HA ))
4.207 2.103 2.103 peak 2313 weight 1.00000E+00 volume 1.65154E+05 ppm1 1.606 ppm2 4.628
ASSI { 2314}
(( segid " A" and resid 98 and name HA ))
(( segid " A" and resid 98 and name HB2 ))
4.443 2.221 2.221 peak 2314 weight 1.00000E+00 volume 1.19073E+05 ppm1 1.600 ppm2 4.833
ASSI { 2315}
(( segid " A" and resid 99 and name HN ))
(( segid " A" and resid 98 and name HB2 ))
4.812 2.406 2.406 peak 2315 weight 1.00000E+00 volume 7.37516E+04 ppm1 1.596 ppm2 7.224
ASSI { 2316}
(( segid " A" and resid 98 and name HN ))
(( segid " A" and resid 98 and name HB2 ))
4.481 2.240 2.240 peak 2316 weight 1.00000E+00 volume 1.13097E+05 ppm1 1.618 ppm2 7.433
ASSI { 2317}
(( segid " A" and resid 99 and name HA ))
(( segid " A" and resid 100 and name HN ))
5.502 2.751 2.498 peak 2317 weight 1.00000E+00 volume 3.30036E+04 ppm1 3.845 ppm2 8.554
ASSI { 2318}
(( segid " A" and resid 102 and name HN ))
(( segid " A" and resid 99 and name HA ))
3.986 1.993 1.993 peak 2318 weight 1.00000E+00 volume 2.28221E+05 ppm1 3.851 ppm2 7.927
ASSI { 2319}
(( segid " A" and resid 99 and name HA ))
(( segid " A" and resid 99 and name HB2 ))
2.914 1.194 1.457 peak 2319 weight 1.00000E+00 volume 1.03472E+05 ppm1 3.854 ppm2 1.787
ASSI { 2322}
(( segid " A" and resid 99 and name HB2 ))
(( segid " A" and resid 100 and name HN ))
4.406 2.203 2.203 peak 2322 weight 1.00000E+00 volume 1.25082E+05 ppm1 1.787 ppm2 8.553
ASSI { 2323}
(( segid " A" and resid 99 and name HN ))
(( segid " A" and resid 99 and name HG2 ))
3.622 1.811 1.811 peak 2323 weight 1.00000E+00 volume 4.05628E+05 ppm1 1.416 ppm2 7.224
ASSI { 2324}
(( segid " A" and resid 99 and name HG2 ))
(( segid " A" and resid 95 and name HB2 ))
7.661 3.831 0.339 peak 2324 weight 1.00000E+00 volume 1.17412E+04 ppm1 1.422 ppm2 4.045
ASSI { 2325}
(( segid " A" and resid 99 and name HA ))
(( segid " A" and resid 99 and name HG2 ))
3.357 1.637 1.679 peak 2325 weight 1.00000E+00 volume 7.03302E+04 ppm1 1.409 ppm2 3.848
ASSI { 2327}
(( segid " A" and resid 100 and name HA ))
(( segid " A" and resid 100 and name HN ))
4.363 2.181 2.181 peak 2327 weight 1.00000E+00 volume 1.32767E+05 ppm1 4.006 ppm2 8.548
ASSI { 2328}
(( segid " A" and resid 101 and name HN ))
(( segid " A" and resid 100 and name HB2 ))
3.514 1.757 1.757 peak 2328 weight 1.00000E+00 volume 4.86296E+05 ppm1 1.907 ppm2 8.910
ASSI { 2329}
(( segid " A" and resid 100 and name HN ))
(( segid " A" and resid 100 and name HB2 ))
4.055 2.027 2.027 peak 2329 weight 1.00000E+00 volume 2.06009E+05 ppm1 1.895 ppm2 8.547
ASSI { 2331}
(( segid " A" and resid 100 and name HA ))
(( segid " A" and resid 100 and name HB2 ))
3.654 1.827 1.827 peak 2331 weight 1.00000E+00 volume 4.25654E+04 ppm1 1.905 ppm2 3.994
ASSI { 2332}
(( segid " A" and resid 101 and name HA ))
(( segid " A" and resid 103 and name HN ))
4.398 2.199 2.199 peak 2332 weight 1.00000E+00 volume 1.18826E+04 ppm1 3.968 ppm2 7.321
ASSI { 2333}
(( segid " A" and resid 101 and name HN ))
(( segid " A" and resid 101 and name HB1 ))
4.033 2.017 2.017 peak 2333 weight 1.00000E+00 volume 2.12622E+05 ppm1 2.070 ppm2 8.905
ASSI { 2334}
(( segid " A" and resid 102 and name HN ))
(( segid " A" and resid 101 and name HB1 ))
5.277 2.638 2.638 peak 2334 weight 1.00000E+00 volume 4.23984E+04 ppm1 2.067 ppm2 7.926
ASSI { 2335}
(( segid " A" and resid 98 and name HA ))
(( segid " A" and resid 101 and name HB1 ))
3.903 1.952 1.952 peak 2335 weight 1.00000E+00 volume 2.58910E+05 ppm1 2.068 ppm2 4.836
ASSI { 2336}
(( segid " A" and resid 101 and name HA ))
(( segid " A" and resid 101 and name HB1 ))
3.253 1.533 1.626 peak 2336 weight 1.00000E+00 volume 7.72687E+05 ppm1 2.071 ppm2 3.965
ASSI { 2337}
(( segid " A" and resid 98 and name HA ))
(( segid " A" and resid 101 and name HB2 ))
4.646 2.323 2.323 peak 2337 weight 1.00000E+00 volume 1.61335E+04 ppm1 2.240 ppm2 4.827
ASSI { 2341}
( segid " A" and resid 98 and name HD1#)
(( segid " A" and resid 101 and name HB2 ))
5.110 2.555 2.555 peak 2341 weight 1.00000E+00 volume 5.14262E+04 ppm1 2.251 ppm2 0.668
ASSI { 2342}
( segid " A" and resid 98 and name HD1#)
(( segid " A" and resid 101 and name HB1 ))
3.593 1.796 1.796 peak 2342 weight 1.00000E+00 volume 4.25709E+05 ppm1 2.067 ppm2 0.666
ASSI { 2343}
(( segid " A" and resid 102 and name HA ))
( segid " A" and resid 98 and name HD1#)
3.278 1.558 1.639 peak 2343 weight 1.00000E+00 volume 7.37433E+05 ppm1 3.813 ppm2 0.669
ASSI { 2344}
(( segid " A" and resid 102 and name HA ))
(( segid " A" and resid 102 and name HB2 ))
3.229 1.509 1.614 peak 2344 weight 1.00000E+00 volume 8.08334E+05 ppm1 3.813 ppm2 1.520
ASSI { 2345}
(( segid " A" and resid 105 and name HN ))
(( segid " A" and resid 102 and name HA ))
3.583 1.791 1.791 peak 2345 weight 1.00000E+00 volume 4.32911E+05 ppm1 3.809 ppm2 6.715
ASSI { 2346}
(( segid " A" and resid 102 and name HA ))
(( segid " A" and resid 103 and name HN ))
3.801 1.901 1.901 peak 2346 weight 1.00000E+00 volume 3.03577E+05 ppm1 3.805 ppm2 7.324
ASSI { 2347}
(( segid " A" and resid 105 and name HB2 ))
(( segid " A" and resid 102 and name HB2 ))
3.776 1.888 1.888 peak 2347 weight 1.00000E+00 volume 3.15922E+05 ppm1 1.518 ppm2 1.219
ASSI { 2348}
(( segid " A" and resid 102 and name HB2 ))
( segid " A" and resid 102 and name HD1#)
3.112 1.392 1.556 peak 2348 weight 1.00000E+00 volume 9.29175E+03 ppm1 1.513 ppm2 0.697
ASSI { 2349}
( segid " A" and resid 105 and name HD1#)
(( segid " A" and resid 102 and name HB2 ))
4.624 2.312 2.312 peak 2349 weight 1.00000E+00 volume 4.69750E+03 ppm1 1.504 ppm2 0.408
ASSI { 2350}
( segid " A" and resid 156 and name HG2#)
(( segid " A" and resid 103 and name HA ))
3.116 1.396 1.558 peak 2350 weight 1.00000E+00 volume 4.24691E+04 ppm1 4.010 ppm2 1.168
ASSI { 2351}
(( segid " A" and resid 103 and name HA ))
(( segid " A" and resid 103 and name HB2 ))
4.110 2.055 2.055 peak 2351 weight 1.00000E+00 volume 1.89836E+05 ppm1 4.013 ppm2 2.905
ASSI { 2352}
(( segid " A" and resid 105 and name HN ))
(( segid " A" and resid 103 and name HA ))
4.187 2.094 2.094 peak 2352 weight 1.00000E+00 volume 1.69811E+05 ppm1 4.020 ppm2 6.716
ASSI { 2353}
(( segid " A" and resid 104 and name HN ))
(( segid " A" and resid 103 and name HA ))
3.399 1.679 1.700 peak 2353 weight 1.00000E+00 volume 3.93805E+04 ppm1 4.018 ppm2 7.323
ASSI { 2354}
( segid " A" and resid 158 and name HD# )
(( segid " A" and resid 103 and name HB2 ))
5.260 2.630 2.630 peak 2354 weight 1.00000E+00 volume 1.22778E+04 ppm1 2.898 ppm2 6.840
ASSI { 2356}
(( segid " A" and resid 101 and name HA ))
(( segid " A" and resid 103 and name HB2 ))
6.076 3.038 1.924 peak 2356 weight 1.00000E+00 volume 7.07888E+03 ppm1 2.882 ppm2 3.977
ASSI { 2357}
( segid " A" and resid 129 and name HG2#)
(( segid " A" and resid 104 and name HA ))
4.280 2.140 2.140 peak 2357 weight 1.00000E+00 volume 4.94712E+03 ppm1 4.709 ppm2 0.710
ASSI { 2358}
( segid " A" and resid 129 and name HG1#)
(( segid " A" and resid 104 and name HA ))
4.139 2.069 2.069 peak 2358 weight 1.00000E+00 volume 1.17471E+04 ppm1 4.728 ppm2 0.903
ASSI { 2360}
(( segid " A" and resid 104 and name HA ))
(( segid " A" and resid 156 and name HB ))
3.870 1.935 1.935 peak 2360 weight 1.00000E+00 volume 2.72412E+05 ppm1 4.727 ppm2 3.811
ASSI { 2361}
(( segid " A" and resid 105 and name HN ))
(( segid " A" and resid 104 and name HA ))
5.233 2.616 2.616 peak 2361 weight 1.00000E+00 volume -4.45959E+04 ppm1 4.734 ppm2 6.715
ASSI { 2362}
(( segid " A" and resid 104 and name HN ))
(( segid " A" and resid 104 and name HA ))
3.792 1.896 1.896 peak 2362 weight 1.00000E+00 volume 3.07729E+05 ppm1 4.733 ppm2 7.325
ASSI { 2363}
(( segid " A" and resid 104 and name HN ))
(( segid " A" and resid 104 and name HB2 ))
3.893 1.946 1.946 peak 2363 weight 1.00000E+00 volume 5.29900E+03 ppm1 3.159 ppm2 7.323
ASSI { 2364}
(( segid " A" and resid 104 and name HA ))
(( segid " A" and resid 104 and name HB2 ))
3.029 1.309 1.514 peak 2364 weight 1.00000E+00 volume 5.31752E+04 ppm1 3.155 ppm2 4.711
ASSI { 2365}
( segid " A" and resid 154 and name HG1#)
(( segid " A" and resid 104 and name HB2 ))
5.284 2.642 2.642 peak 2365 weight 1.00000E+00 volume -4.20658E+04 ppm1 3.170 ppm2 1.194
ASSI { 2366}
( segid " A" and resid 156 and name HG2#)
(( segid " A" and resid 104 and name HB2 ))
6.055 3.028 1.945 peak 2366 weight 1.00000E+00 volume 1.85716E+04 ppm1 3.171 ppm2 1.170
ASSI { 2367}
( segid " A" and resid 131 and name HD1#)
(( segid " A" and resid 104 and name HB2 ))
4.003 2.002 2.002 peak 2367 weight 1.00000E+00 volume 2.22377E+05 ppm1 3.162 ppm2 0.813
ASSI { 2368}
( segid " A" and resid 129 and name HG2#)
(( segid " A" and resid 104 and name HB2 ))
3.405 1.685 1.703 peak 2368 weight 1.00000E+00 volume 5.87043E+05 ppm1 3.162 ppm2 0.702
ASSI { 2369}
(( segid " A" and resid 105 and name HA ))
( segid " A" and resid 105 and name HD1#)
3.028 1.308 1.514 peak 2369 weight 1.00000E+00 volume 1.18849E+06 ppm1 4.252 ppm2 0.396
ASSI { 2371}
(( segid " A" and resid 105 and name HA ))
(( segid " A" and resid 105 and name HB2 ))
3.615 1.808 1.808 peak 2371 weight 1.00000E+00 volume 3.74736E+04 ppm1 4.258 ppm2 1.221
ASSI { 2372}
(( segid " A" and resid 105 and name HA ))
(( segid " A" and resid 105 and name HN ))
4.347 2.173 2.173 peak 2372 weight 1.00000E+00 volume 3.80660E+04 ppm1 4.263 ppm2 6.714
ASSI { 2373}
(( segid " A" and resid 106 and name HN ))
(( segid " A" and resid 105 and name HA ))
2.873 1.153 1.436 peak 2373 weight 1.00000E+00 volume 1.33566E+05 ppm1 4.256 ppm2 7.124
ASSI { 2374}
(( segid " A" and resid 105 and name HB2 ))
(( segid " A" and resid 102 and name HB2 ))
3.166 1.446 1.583 peak 2374 weight 1.00000E+00 volume 9.08335E+05 ppm1 1.218 ppm2 1.523
ASSI { 2375}
( segid " A" and resid 105 and name HD1#)
(( segid " A" and resid 105 and name HB2 ))
2.589 0.869 1.295 peak 2375 weight 1.00000E+00 volume 3.03846E+06 ppm1 0.398 ppm2 1.218
ASSI { 2379}
( segid " A" and resid 105 and name HD1#)
(( segid " A" and resid 102 and name HA ))
2.753 1.033 1.377 peak 2379 weight 1.00000E+00 volume 2.10161E+06 ppm1 0.399 ppm2 3.807
ASSI { 2385}
(( segid " A" and resid 106 and name HA ))
(( segid " A" and resid 106 and name HB2 ))
2.757 1.037 1.378 peak 2385 weight 1.00000E+00 volume 2.08492E+06 ppm1 1.704 ppm2 4.640
ASSI { 2386}
(( segid " A" and resid 106 and name HN ))
(( segid " A" and resid 106 and name HB2 ))
3.297 1.577 1.648 peak 2386 weight 1.00000E+00 volume 7.12943E+05 ppm1 1.702 ppm2 7.126
ASSI { 2387}
(( segid " A" and resid 107 and name HN ))
(( segid " A" and resid 106 and name HB2 ))
3.512 1.756 1.756 peak 2387 weight 1.00000E+00 volume 4.87499E+05 ppm1 1.708 ppm2 9.085
ASSI { 2388}
(( segid " A" and resid 107 and name HA ))
(( segid " A" and resid 107 and name HN ))
3.022 1.302 1.511 peak 2388 weight 1.00000E+00 volume 1.20274E+06 ppm1 3.541 ppm2 9.085
ASSI { 2389}
(( segid " A" and resid 107 and name HA ))
(( segid " A" and resid 72 and name HB2 ))
4.520 2.260 2.260 peak 2389 weight 1.00000E+00 volume 1.07356E+05 ppm1 3.552 ppm2 2.723
ASSI { 2390}
(( segid " A" and resid 107 and name HA ))
( segid " A" and resid 105 and name HD1#)
4.625 2.312 2.312 peak 2390 weight 1.00000E+00 volume 9.35949E+04 ppm1 3.539 ppm2 0.392
ASSI { 2391}
(( segid " A" and resid 107 and name HB2 ))
( segid " A" and resid 105 and name HD1#)
7.220 3.610 0.780 peak 2391 weight 1.00000E+00 volume 6.46488E+03 ppm1 1.895 ppm2 0.397
ASSI { 2392}
(( segid " A" and resid 107 and name HB2 ))
( segid " A" and resid 75 and name HB# )
4.243 2.122 2.122 peak 2392 weight 1.00000E+00 volume 1.56864E+05 ppm1 1.887 ppm2 1.268
ASSI { 2394}
(( segid " A" and resid 107 and name HA ))
(( segid " A" and resid 107 and name HB2 ))
2.848 1.128 1.424 peak 2394 weight 1.00000E+00 volume 1.71662E+06 ppm1 1.888 ppm2 3.545
ASSI { 2395}
(( segid " A" and resid 107 and name HN ))
(( segid " A" and resid 107 and name HB2 ))
3.306 1.586 1.653 peak 2395 weight 1.00000E+00 volume 1.86444E+04 ppm1 1.891 ppm2 9.086
ASSI { 2396}
(( segid " A" and resid 108 and name HN ))
(( segid " A" and resid 107 and name HB2 ))
3.281 1.561 1.641 peak 2396 weight 1.00000E+00 volume 7.33798E+05 ppm1 1.893 ppm2 9.107
ASSI { 2397}
(( segid " A" and resid 109 and name HN ))
(( segid " A" and resid 108 and name HA2 ))
4.050 2.025 2.025 peak 2397 weight 1.00000E+00 volume 2.07314E+05 ppm1 4.408 ppm2 8.111
ASSI { 2398}
(( segid " A" and resid 108 and name HA2 ))
(( segid " A" and resid 108 and name HA2 ))
3.055 1.335 1.528 peak 2398 weight 1.00000E+00 volume 1.12531E+06 ppm1 4.411 ppm2 3.743
ASSI { 2399}
(( segid " A" and resid 108 and name HA2 ))
(( segid " A" and resid 71 and name HG2 ))
3.724 1.862 1.862 peak 2399 weight 1.00000E+00 volume 3.43502E+05 ppm1 3.754 ppm2 2.211
ASSI { 2400}
(( segid " A" and resid 71 and name HG2 ))
(( segid " A" and resid 108 and name HA2 ))
4.570 2.285 2.285 peak 2400 weight 1.00000E+00 volume 1.01696E+04 ppm1 4.424 ppm2 2.209
ASSI { 2401}
(( segid " A" and resid 109 and name HA ))
(( segid " A" and resid 109 and name HB1 ))
3.165 1.445 1.582 peak 2401 weight 1.00000E+00 volume 7.97279E+04 ppm1 4.288 ppm2 2.128
ASSI { 2402}
(( segid " A" and resid 109 and name HA ))
(( segid " A" and resid 71 and name HG2 ))
3.385 1.665 1.693 peak 2402 weight 1.00000E+00 volume 6.71281E+04 ppm1 4.289 ppm2 2.207
ASSI { 2403}
(( segid " A" and resid 109 and name HA ))
(( segid " A" and resid 109 and name HB2 ))
3.074 1.354 1.537 peak 2403 weight 1.00000E+00 volume 1.08492E+06 ppm1 4.293 ppm2 2.340
ASSI { 2404}
(( segid " A" and resid 109 and name HA ))
(( segid " A" and resid 109 and name HG2 ))
3.253 1.533 1.627 peak 2404 weight 1.00000E+00 volume 7.72600E+05 ppm1 4.295 ppm2 2.643
ASSI { 2405}
(( segid " A" and resid 109 and name HA ))
(( segid " A" and resid 109 and name HN ))
4.073 2.037 2.037 peak 2405 weight 1.00000E+00 volume 2.00480E+05 ppm1 4.284 ppm2 8.107
ASSI { 2406}
(( segid " A" and resid 110 and name HN ))
(( segid " A" and resid 109 and name HA ))
3.043 1.323 1.522 peak 2406 weight 1.00000E+00 volume 1.15285E+06 ppm1 4.285 ppm2 8.529
ASSI { 2407}
(( segid " A" and resid 110 and name HN ))
(( segid " A" and resid 109 and name HB1 ))
3.945 1.972 1.972 peak 2407 weight 1.00000E+00 volume 6.99638E+03 ppm1 2.117 ppm2 8.531
ASSI { 2408}
(( segid " A" and resid 110 and name HN ))
(( segid " A" and resid 109 and name HB2 ))
3.730 1.865 1.865 peak 2408 weight 1.00000E+00 volume 2.62642E+04 ppm1 2.333 ppm2 8.532
ASSI { 2409}
(( segid " A" and resid 109 and name HB1 ))
(( segid " A" and resid 109 and name HN ))
3.315 1.595 1.658 peak 2409 weight 1.00000E+00 volume 6.89259E+05 ppm1 2.115 ppm2 8.116
ASSI { 2410}
(( segid " A" and resid 109 and name HB2 ))
(( segid " A" and resid 109 and name HN ))
4.113 2.057 2.057 peak 2410 weight 1.00000E+00 volume 1.89048E+05 ppm1 2.335 ppm2 8.115
ASSI { 2411}
(( segid " A" and resid 109 and name HA ))
(( segid " A" and resid 109 and name HB1 ))
2.977 1.257 1.489 peak 2411 weight 1.00000E+00 volume 1.35799E+04 ppm1 2.112 ppm2 4.295
ASSI { 2412}
(( segid " A" and resid 109 and name HA ))
(( segid " A" and resid 109 and name HB2 ))
4.753 2.377 2.377 peak 2412 weight 1.00000E+00 volume 1.38198E+04 ppm1 2.332 ppm2 4.289
ASSI { 2413}
(( segid " A" and resid 109 and name HB2 ))
(( segid " A" and resid 72 and name HB2 ))
3.856 1.928 1.928 peak 2413 weight 1.00000E+00 volume 8.78412E+03 ppm1 2.343 ppm2 2.722
ASSI { 2414}
(( segid " A" and resid 109 and name HG2 ))
(( segid " A" and resid 109 and name HB2 ))
3.340 1.620 1.670 peak 2414 weight 1.00000E+00 volume 1.36182E+04 ppm1 2.345 ppm2 2.645
ASSI { 2415}
(( segid " A" and resid 109 and name HG2 ))
(( segid " A" and resid 109 and name HB1 ))
3.008 1.288 1.504 peak 2415 weight 1.00000E+00 volume 5.99975E+04 ppm1 2.120 ppm2 2.649
ASSI { 2416}
(( segid " A" and resid 109 and name HB2 ))
(( segid " A" and resid 109 and name HB1 ))
2.304 0.584 1.152 peak 2416 weight 1.00000E+00 volume 1.74801E+05 ppm1 2.118 ppm2 2.341
ASSI { 2417}
(( segid " A" and resid 109 and name HB2 ))
(( segid " A" and resid 109 and name HB1 ))
2.558 0.838 1.279 peak 2417 weight 1.00000E+00 volume 1.26317E+05 ppm1 2.341 ppm2 2.119
ASSI { 2420}
(( segid " A" and resid 109 and name HG2 ))
(( segid " A" and resid 109 and name HB1 ))
2.694 0.974 1.347 peak 2420 weight 1.00000E+00 volume 2.39251E+06 ppm1 2.649 ppm2 2.120
ASSI { 2421}
(( segid " A" and resid 109 and name HG2 ))
(( segid " A" and resid 109 and name HB2 ))
2.681 0.961 1.341 peak 2421 weight 1.00000E+00 volume 1.74600E+05 ppm1 2.648 ppm2 2.348
ASSI { 2422}
(( segid " A" and resid 72 and name HN ))
(( segid " A" and resid 110 and name HA ))
3.080 1.360 1.540 peak 2422 weight 1.00000E+00 volume 4.24302E+04 ppm1 5.091 ppm2 9.128
ASSI { 2423}
(( segid " A" and resid 110 and name HA ))
(( segid " A" and resid 110 and name HN ))
4.139 2.069 2.069 peak 2423 weight 1.00000E+00 volume 1.82110E+05 ppm1 5.085 ppm2 8.524
ASSI { 2424}
(( segid " A" and resid 110 and name HA ))
(( segid " A" and resid 71 and name HA ))
3.492 1.746 1.746 peak 2424 weight 1.00000E+00 volume 5.04763E+05 ppm1 5.087 ppm2 5.209
ASSI { 2425}
(( segid " A" and resid 110 and name HA ))
(( segid " A" and resid 71 and name HG2 ))
3.785 1.893 1.893 peak 2425 weight 1.00000E+00 volume 3.11164E+05 ppm1 5.089 ppm2 2.211
ASSI { 2426}
(( segid " A" and resid 110 and name HA ))
(( segid " A" and resid 71 and name HB2 ))
2.844 1.124 1.422 peak 2426 weight 1.00000E+00 volume 1.72980E+06 ppm1 5.091 ppm2 1.998
ASSI { 2428}
(( segid " A" and resid 110 and name HB2 ))
(( segid " A" and resid 71 and name HA ))
3.170 1.450 1.585 peak 2428 weight 1.00000E+00 volume 9.03032E+05 ppm1 1.994 ppm2 5.209
ASSI { 2429}
(( segid " A" and resid 110 and name HN ))
(( segid " A" and resid 110 and name HB2 ))
3.155 1.435 1.577 peak 2429 weight 1.00000E+00 volume 9.29067E+05 ppm1 1.992 ppm2 8.532
ASSI { 2430}
(( segid " A" and resid 111 and name HN ))
(( segid " A" and resid 110 and name HB2 ))
3.000 1.280 1.500 peak 2430 weight 1.00000E+00 volume 1.25513E+06 ppm1 1.997 ppm2 9.070
ASSI { 2431}
(( segid " A" and resid 111 and name HN ))
(( segid " A" and resid 111 and name HA ))
3.547 1.773 1.773 peak 2431 weight 1.00000E+00 volume 4.59731E+05 ppm1 4.761 ppm2 9.068
ASSI { 2432}
(( segid " A" and resid 111 and name HA ))
(( segid " A" and resid 111 and name HB ))
3.081 1.361 1.540 peak 2432 weight 1.00000E+00 volume 1.07106E+06 ppm1 4.763 ppm2 2.036
ASSI { 2433}
(( segid " A" and resid 111 and name HB ))
(( segid " A" and resid 125 and name HA ))
3.325 1.605 1.662 peak 2433 weight 1.00000E+00 volume 6.77531E+05 ppm1 2.035 ppm2 4.510
ASSI { 2434}
(( segid " A" and resid 111 and name HA ))
(( segid " A" and resid 111 and name HB ))
2.762 1.042 1.381 peak 2434 weight 1.00000E+00 volume 2.06228E+06 ppm1 2.031 ppm2 4.764
ASSI { 2435}
(( segid " A" and resid 70 and name HN ))
(( segid " A" and resid 112 and name HA ))
3.849 1.924 1.924 peak 2435 weight 1.00000E+00 volume 1.49392E+04 ppm1 5.082 ppm2 8.922
ASSI { 2436}
(( segid " A" and resid 112 and name HN ))
(( segid " A" and resid 112 and name HA ))
3.869 1.934 1.934 peak 2436 weight 1.00000E+00 volume 2.73106E+05 ppm1 5.078 ppm2 8.058
ASSI { 2437}
(( segid " A" and resid 112 and name HA ))
(( segid " A" and resid 69 and name HA ))
2.921 1.201 1.461 peak 2437 weight 1.00000E+00 volume 5.35470E+04 ppm1 5.079 ppm2 4.692
ASSI { 2439}
(( segid " A" and resid 112 and name HA ))
(( segid " A" and resid 112 and name HB2 ))
3.166 1.446 1.583 peak 2439 weight 1.00000E+00 volume 3.67558E+04 ppm1 2.017 ppm2 5.079
ASSI { 2440}
(( segid " A" and resid 112 and name HN ))
(( segid " A" and resid 112 and name HB2 ))
3.606 1.803 1.803 peak 2440 weight 1.00000E+00 volume 4.16608E+05 ppm1 2.014 ppm2 8.053
ASSI { 2441}
(( segid " A" and resid 113 and name HN ))
(( segid " A" and resid 112 and name HB2 ))
3.033 1.313 1.517 peak 2441 weight 1.00000E+00 volume 1.17502E+06 ppm1 2.017 ppm2 9.075
ASSI { 2442}
(( segid " A" and resid 124 and name HN ))
(( segid " A" and resid 112 and name HB2 ))
4.711 2.356 2.356 peak 2442 weight 1.00000E+00 volume -8.37130E+04 ppm1 2.008 ppm2 9.196
ASSI { 2443}
(( segid " A" and resid 124 and name HN ))
(( segid " A" and resid 113 and name HA ))
4.200 2.100 2.100 peak 2443 weight 1.00000E+00 volume 1.66810E+05 ppm1 4.428 ppm2 9.193
ASSI { 2444}
(( segid " A" and resid 113 and name HN ))
(( segid " A" and resid 113 and name HA ))
3.832 1.916 1.916 peak 2444 weight 1.00000E+00 volume 2.89067E+05 ppm1 4.427 ppm2 9.074
ASSI { 2445}
(( segid " A" and resid 113 and name HA ))
(( segid " A" and resid 123 and name HA ))
2.596 0.876 1.298 peak 2445 weight 1.00000E+00 volume 2.99308E+06 ppm1 4.425 ppm2 4.686
ASSI { 2446}
(( segid " A" and resid 113 and name HA ))
(( segid " A" and resid 113 and name HB ))
3.832 1.916 1.916 peak 2446 weight 1.00000E+00 volume 2.89335E+05 ppm1 4.422 ppm2 1.656
ASSI { 2447}
( segid " A" and resid 123 and name HG1#)
(( segid " A" and resid 113 and name HA ))
4.259 2.129 2.129 peak 2447 weight 1.00000E+00 volume 6.17612E+03 ppm1 4.432 ppm2 0.555
ASSI { 2448}
( segid " A" and resid 115 and name HG2#)
(( segid " A" and resid 113 and name HB ))
3.105 1.385 1.553 peak 2448 weight 1.00000E+00 volume 4.40640E+04 ppm1 1.651 ppm2 0.905
ASSI { 2449}
(( segid " A" and resid 113 and name HA ))
(( segid " A" and resid 113 and name HB ))
3.770 1.885 1.885 peak 2449 weight 1.00000E+00 volume 3.18959E+05 ppm1 1.653 ppm2 4.427
ASSI { 2450}
(( segid " A" and resid 68 and name HN ))
(( segid " A" and resid 113 and name HB ))
4.613 2.307 2.307 peak 2450 weight 1.00000E+00 volume 9.49788E+04 ppm1 1.658 ppm2 8.791
ASSI { 2451}
(( segid " A" and resid 113 and name HN ))
(( segid " A" and resid 113 and name HB ))
3.232 1.512 1.616 peak 2451 weight 1.00000E+00 volume 3.96322E+04 ppm1 1.652 ppm2 9.077
ASSI { 2452}
(( segid " A" and resid 114 and name HN ))
(( segid " A" and resid 114 and name HA ))
3.497 1.748 1.748 peak 2452 weight 1.00000E+00 volume 4.04586E+04 ppm1 5.221 ppm2 8.494
ASSI { 2453}
(( segid " A" and resid 114 and name HA ))
(( segid " A" and resid 67 and name HA ))
2.923 1.203 1.462 peak 2453 weight 1.00000E+00 volume 7.75886E+04 ppm1 5.218 ppm2 5.341
ASSI { 2454}
( segid " A" and resid 121 and name HG2#)
(( segid " A" and resid 114 and name HB2 ))
4.166 2.083 2.083 peak 2454 weight 1.00000E+00 volume 9.31750E+03 ppm1 2.201 ppm2 0.943
ASSI { 2455}
(( segid " A" and resid 122 and name HA1 ))
(( segid " A" and resid 114 and name HB2 ))
4.920 2.460 2.460 peak 2455 weight 1.00000E+00 volume -6.45719E+04 ppm1 2.226 ppm2 4.093
ASSI { 2456}
(( segid " A" and resid 122 and name HA2 ))
(( segid " A" and resid 114 and name HB2 ))
4.356 2.178 2.178 peak 2456 weight 1.00000E+00 volume 1.34044E+05 ppm1 2.219 ppm2 4.170
ASSI { 2458}
(( segid " A" and resid 114 and name HA ))
(( segid " A" and resid 114 and name HB2 ))
4.203 2.102 2.102 peak 2458 weight 1.00000E+00 volume 1.65983E+05 ppm1 2.213 ppm2 5.221
ASSI { 2459}
(( segid " A" and resid 114 and name HN ))
(( segid " A" and resid 114 and name HB2 ))
3.294 1.574 1.647 peak 2459 weight 1.00000E+00 volume 5.22752E+04 ppm1 2.216 ppm2 8.490
ASSI { 2460}
(( segid " A" and resid 121 and name HN ))
(( segid " A" and resid 114 and name HB2 ))
7.666 3.833 0.334 peak 2460 weight 1.00000E+00 volume 6.65275E+03 ppm1 2.218 ppm2 8.977
ASSI { 2461}
(( segid " A" and resid 121 and name HN ))
(( segid " A" and resid 115 and name HA ))
3.242 1.522 1.621 peak 2461 weight 1.00000E+00 volume 7.88893E+05 ppm1 5.333 ppm2 8.979
ASSI { 2462}
(( segid " A" and resid 115 and name HN ))
(( segid " A" and resid 115 and name HA ))
3.156 1.436 1.578 peak 2462 weight 1.00000E+00 volume 4.59128E+04 ppm1 5.343 ppm2 8.939
ASSI { 2463}
(( segid " A" and resid 115 and name HA ))
( segid " A" and resid 121 and name HG2#)
3.105 1.385 1.553 peak 2463 weight 1.00000E+00 volume 4.82414E+04 ppm1 5.338 ppm2 0.941
ASSI { 2466}
(( segid " A" and resid 115 and name HN ))
(( segid " A" and resid 115 and name HB ))
3.232 1.512 1.616 peak 2466 weight 1.00000E+00 volume 5.07302E+04 ppm1 3.696 ppm2 8.936
ASSI { 2467}
(( segid " A" and resid 115 and name HN ))
( segid " A" and resid 115 and name HG2#)
2.673 0.953 1.337 peak 2467 weight 1.00000E+00 volume 9.87445E+04 ppm1 0.906 ppm2 8.942
ASSI { 2468}
(( segid " A" and resid 116 and name HN ))
( segid " A" and resid 115 and name HG2#)
2.743 1.023 1.372 peak 2468 weight 1.00000E+00 volume 1.04624E+05 ppm1 0.902 ppm2 8.856
ASSI { 2469}
( segid " A" and resid 115 and name HG2#)
(( segid " A" and resid 120 and name HN ))
3.024 1.304 1.512 peak 2469 weight 1.00000E+00 volume -1.06511E+04 ppm1 0.906 ppm2 8.739
ASSI { 2470}
(( segid " A" and resid 115 and name HA ))
( segid " A" and resid 115 and name HG2#)
2.666 0.946 1.333 peak 2470 weight 1.00000E+00 volume 1.20846E+05 ppm1 0.904 ppm2 5.343
ASSI { 2472}
( segid " A" and resid 115 and name HG2#)
(( segid " A" and resid 120 and name HA ))
2.853 1.133 1.427 peak 2472 weight 1.00000E+00 volume 1.55007E+05 ppm1 0.907 ppm2 4.159
ASSI { 2477}
( segid " A" and resid 115 and name HG2#)
(( segid " A" and resid 113 and name HB ))
3.262 1.542 1.631 peak 2477 weight 1.00000E+00 volume 7.60215E+05 ppm1 0.906 ppm2 1.658
ASSI { 2478}
( segid " A" and resid 121 and name HG2#)
(( segid " A" and resid 116 and name HA ))
3.679 1.840 1.840 peak 2478 weight 1.00000E+00 volume 6.07950E+03 ppm1 4.900 ppm2 0.937
ASSI { 2479}
(( segid " A" and resid 66 and name HN ))
(( segid " A" and resid 116 and name HA ))
3.316 1.596 1.658 peak 2479 weight 1.00000E+00 volume 3.09288E+04 ppm1 4.896 ppm2 8.784
ASSI { 2482}
(( segid " A" and resid 116 and name HA ))
(( segid " A" and resid 116 and name HB2 ))
3.661 1.830 1.830 peak 2482 weight 1.00000E+00 volume 3.80450E+05 ppm1 2.899 ppm2 4.890
ASSI { 2483}
(( segid " A" and resid 119 and name HB1 ))
(( segid " A" and resid 116 and name HB2 ))
4.442 2.221 2.221 peak 2483 weight 1.00000E+00 volume -1.19204E+05 ppm1 2.885 ppm2 2.131
ASSI { 2497}
(( segid " A" and resid 119 and name HA ))
(( segid " A" and resid 120 and name HN ))
3.786 1.893 1.893 peak 2497 weight 1.00000E+00 volume 3.10733E+05 ppm1 4.557 ppm2 8.740
ASSI { 2498}
(( segid " A" and resid 119 and name HA ))
(( segid " A" and resid 119 and name HB1 ))
2.882 1.162 1.441 peak 2498 weight 1.00000E+00 volume 1.59692E+06 ppm1 4.551 ppm2 2.143
ASSI { 2499}
(( segid " A" and resid 119 and name HA ))
(( segid " A" and resid 119 and name HB2 ))
2.872 1.152 1.436 peak 2499 weight 1.00000E+00 volume 1.24430E+05 ppm1 4.561 ppm2 1.971
ASSI { 2500}
(( segid " A" and resid 119 and name HA ))
( segid " A" and resid 115 and name HG2#)
4.247 2.124 2.124 peak 2500 weight 1.00000E+00 volume 2.50028E+04 ppm1 4.559 ppm2 0.908
ASSI { 2501}
(( segid " A" and resid 119 and name HB2 ))
(( segid " A" and resid 120 and name HN ))
3.103 1.383 1.552 peak 2501 weight 1.00000E+00 volume 4.37304E+04 ppm1 1.974 ppm2 8.741
ASSI { 2502}
(( segid " A" and resid 119 and name HB1 ))
(( segid " A" and resid 120 and name HN ))
4.854 2.427 2.427 peak 2502 weight 1.00000E+00 volume 9.47288E+03 ppm1 2.120 ppm2 8.741
ASSI { 2503}
(( segid " A" and resid 116 and name HN ))
(( segid " A" and resid 120 and name HA ))
3.610 1.805 1.805 peak 2503 weight 1.00000E+00 volume 4.13427E+05 ppm1 4.158 ppm2 8.849
ASSI { 2504}
(( segid " A" and resid 120 and name HA ))
(( segid " A" and resid 120 and name HN ))
4.251 2.125 2.125 peak 2504 weight 1.00000E+00 volume 1.55231E+05 ppm1 4.156 ppm2 8.752
ASSI { 2505}
( segid " A" and resid 115 and name HG2#)
(( segid " A" and resid 120 and name HA ))
2.886 1.166 1.443 peak 2505 weight 1.00000E+00 volume 1.07910E+05 ppm1 4.159 ppm2 0.909
ASSI { 2506}
( segid " A" and resid 121 and name HG2#)
(( segid " A" and resid 121 and name HA ))
3.110 1.390 1.555 peak 2506 weight 1.00000E+00 volume 3.70252E+04 ppm1 4.573 ppm2 0.949
ASSI { 2507}
(( segid " A" and resid 121 and name HB ))
(( segid " A" and resid 121 and name HA ))
2.849 1.129 1.425 peak 2507 weight 1.00000E+00 volume 1.71048E+06 ppm1 4.573 ppm2 1.915
ASSI { 2508}
(( segid " A" and resid 122 and name HN ))
(( segid " A" and resid 121 and name HA ))
4.552 2.276 2.276 peak 2508 weight 1.00000E+00 volume 1.02911E+05 ppm1 4.569 ppm2 7.415
ASSI { 2509}
(( segid " A" and resid 121 and name HN ))
(( segid " A" and resid 121 and name HA ))
3.283 1.563 1.641 peak 2509 weight 1.00000E+00 volume 7.31606E+05 ppm1 4.572 ppm2 8.980
ASSI { 2510}
(( segid " A" and resid 116 and name HN ))
(( segid " A" and resid 121 and name HB ))
4.748 2.374 2.374 peak 2510 weight 1.00000E+00 volume 7.98852E+04 ppm1 1.914 ppm2 8.858
ASSI { 2511}
(( segid " A" and resid 121 and name HB ))
( segid " A" and resid 121 and name HG2#)
2.722 1.002 1.361 peak 2511 weight 1.00000E+00 volume 2.25178E+06 ppm1 1.918 ppm2 0.944
ASSI { 2512}
(( segid " A" and resid 121 and name HB ))
( segid " A" and resid 121 and name HG2#)
2.409 0.689 1.205 peak 2512 weight 1.00000E+00 volume 4.67931E+06 ppm1 0.939 ppm2 1.918
ASSI { 2513}
( segid " A" and resid 121 and name HG2#)
(( segid " A" and resid 114 and name HB2 ))
6.152 3.076 1.848 peak 2513 weight 1.00000E+00 volume 1.68910E+04 ppm1 0.942 ppm2 2.220
ASSI { 2514}
(( segid " A" and resid 122 and name HA1 ))
( segid " A" and resid 121 and name HG2#)
4.139 2.070 2.070 peak 2514 weight 1.00000E+00 volume 1.49690E+04 ppm1 0.943 ppm2 4.098
ASSI { 2515}
(( segid " A" and resid 122 and name HA2 ))
( segid " A" and resid 121 and name HG2#)
3.961 1.981 1.981 peak 2515 weight 1.00000E+00 volume 1.16334E+04 ppm1 0.944 ppm2 4.139
ASSI { 2517}
( segid " A" and resid 121 and name HG2#)
(( segid " A" and resid 116 and name HA ))
5.099 2.549 2.549 peak 2517 weight 1.00000E+00 volume -5.20996E+04 ppm1 0.940 ppm2 4.890
ASSI { 2518}
(( segid " A" and resid 115 and name HA ))
( segid " A" and resid 121 and name HG2#)
3.974 1.987 1.987 peak 2518 weight 1.00000E+00 volume 2.32479E+05 ppm1 0.944 ppm2 5.337
ASSI { 2519}
(( segid " A" and resid 122 and name HN ))
( segid " A" and resid 121 and name HG2#)
4.588 2.294 2.294 peak 2519 weight 1.00000E+00 volume 1.05770E+04 ppm1 0.941 ppm2 7.408
ASSI { 2520}
(( segid " A" and resid 121 and name HN ))
( segid " A" and resid 121 and name HG2#)
4.253 2.126 2.126 peak 2520 weight 1.00000E+00 volume 2.31272E+04 ppm1 0.934 ppm2 8.978
ASSI { 2521}
(( segid " A" and resid 122 and name HA2 ))
(( segid " A" and resid 114 and name HB2 ))
5.234 2.617 2.617 peak 2521 weight 1.00000E+00 volume -4.45362E+04 ppm1 4.168 ppm2 2.217
ASSI { 2522}
(( segid " A" and resid 122 and name HA1 ))
(( segid " A" and resid 114 and name HB2 ))
5.454 2.727 2.546 peak 2522 weight 1.00000E+00 volume 5.80000E+03 ppm1 4.107 ppm2 2.220
ASSI { 2524}
(( segid " A" and resid 122 and name HA1 ))
( segid " A" and resid 121 and name HG2#)
4.110 2.055 2.055 peak 2524 weight 1.00000E+00 volume 1.21206E+04 ppm1 4.099 ppm2 0.945
ASSI { 2525}
(( segid " A" and resid 122 and name HA1 ))
( segid " A" and resid 123 and name HG1#)
4.331 2.165 2.165 peak 2525 weight 1.00000E+00 volume 1.38802E+05 ppm1 4.095 ppm2 0.555
ASSI { 2526}
(( segid " A" and resid 122 and name HA2 ))
( segid " A" and resid 123 and name HG1#)
4.168 2.084 2.084 peak 2526 weight 1.00000E+00 volume 1.74525E+05 ppm1 4.168 ppm2 0.554
ASSI { 2527}
( segid " A" and resid 123 and name HG1#)
(( segid " A" and resid 123 and name HA ))
3.618 1.809 1.809 peak 2527 weight 1.00000E+00 volume 4.08354E+05 ppm1 4.657 ppm2 0.555
ASSI { 2528}
(( segid " A" and resid 123 and name HA ))
(( segid " A" and resid 114 and name HB2 ))
3.751 1.876 1.876 peak 2528 weight 1.00000E+00 volume 3.28518E+05 ppm1 4.635 ppm2 2.218
ASSI { 2530}
(( segid " A" and resid 123 and name HN ))
(( segid " A" and resid 123 and name HA ))
4.606 2.303 2.303 peak 2530 weight 1.00000E+00 volume 9.58266E+04 ppm1 4.666 ppm2 8.323
ASSI { 2532}
(( segid " A" and resid 124 and name HN ))
( segid " A" and resid 123 and name HG1#)
3.712 1.856 1.856 peak 2532 weight 1.00000E+00 volume 3.50090E+05 ppm1 0.552 ppm2 9.198
ASSI { 2533}
(( segid " A" and resid 125 and name HN ))
( segid " A" and resid 123 and name HG1#)
3.011 1.291 1.506 peak 2533 weight 1.00000E+00 volume 1.22771E+06 ppm1 0.552 ppm2 8.808
ASSI { 2534}
(( segid " A" and resid 114 and name HN ))
( segid " A" and resid 123 and name HG1#)
3.974 1.987 1.987 peak 2534 weight 1.00000E+00 volume 8.91212E+03 ppm1 0.542 ppm2 8.482
ASSI { 2535}
(( segid " A" and resid 123 and name HN ))
( segid " A" and resid 123 and name HG1#)
4.150 2.075 2.075 peak 2535 weight 1.00000E+00 volume 6.68938E+03 ppm1 0.538 ppm2 8.328
ASSI { 2536}
( segid " A" and resid 123 and name HG1#)
(( segid " A" and resid 123 and name HA ))
2.496 0.776 1.248 peak 2536 weight 1.00000E+00 volume 3.78347E+06 ppm1 0.554 ppm2 4.686
ASSI { 2537}
( segid " A" and resid 123 and name HG1#)
(( segid " A" and resid 113 and name HA ))
3.757 1.879 1.879 peak 2537 weight 1.00000E+00 volume 3.25372E+05 ppm1 0.554 ppm2 4.429
ASSI { 2538}
(( segid " A" and resid 122 and name HA2 ))
( segid " A" and resid 123 and name HG1#)
7.352 3.676 0.648 peak 2538 weight 1.00000E+00 volume -5.79888E+03 ppm1 0.556 ppm2 4.170
ASSI { 2539}
(( segid " A" and resid 122 and name HA1 ))
( segid " A" and resid 123 and name HG1#)
4.295 2.147 2.147 peak 2539 weight 1.00000E+00 volume 1.45855E+05 ppm1 0.559 ppm2 4.097
ASSI { 2541}
(( segid " A" and resid 124 and name HB1 ))
(( segid " A" and resid 124 and name HA ))
3.054 1.334 1.527 peak 2541 weight 1.00000E+00 volume 1.12856E+06 ppm1 4.605 ppm2 1.789
ASSI { 2542}
(( segid " A" and resid 124 and name HB2 ))
(( segid " A" and resid 124 and name HA ))
2.691 0.971 1.346 peak 2542 weight 1.00000E+00 volume 2.40869E+06 ppm1 4.602 ppm2 2.013
ASSI { 2543}
(( segid " A" and resid 124 and name HN ))
(( segid " A" and resid 124 and name HA ))
4.316 2.158 2.158 peak 2543 weight 1.00000E+00 volume 1.96546E+04 ppm1 4.597 ppm2 9.197
ASSI { 2544}
(( segid " A" and resid 124 and name HN ))
(( segid " A" and resid 124 and name HB2 ))
4.179 2.090 2.090 peak 2544 weight 1.00000E+00 volume 8.03538E+03 ppm1 2.014 ppm2 9.197
ASSI { 2545}
(( segid " A" and resid 124 and name HN ))
(( segid " A" and resid 124 and name HB1 ))
5.259 2.630 2.630 peak 2545 weight 1.00000E+00 volume -1.81725E+03 ppm1 1.793 ppm2 9.195
ASSI { 2546}
(( segid " A" and resid 125 and name HN ))
(( segid " A" and resid 124 and name HB1 ))
4.276 2.138 2.138 peak 2546 weight 1.00000E+00 volume 1.49850E+05 ppm1 1.790 ppm2 8.811
ASSI { 2547}
(( segid " A" and resid 125 and name HN ))
(( segid " A" and resid 124 and name HB2 ))
4.318 2.159 2.159 peak 2547 weight 1.00000E+00 volume 1.41234E+05 ppm1 2.012 ppm2 8.809
ASSI { 2548}
(( segid " A" and resid 112 and name HN ))
(( segid " A" and resid 124 and name HB2 ))
3.539 1.769 1.769 peak 2548 weight 1.00000E+00 volume 4.66175E+05 ppm1 2.013 ppm2 8.055
ASSI { 2549}
(( segid " A" and resid 124 and name HB2 ))
(( segid " A" and resid 124 and name HA ))
3.165 1.445 1.582 peak 2549 weight 1.00000E+00 volume 4.43816E+04 ppm1 2.011 ppm2 4.604
ASSI { 2550}
(( segid " A" and resid 124 and name HB1 ))
(( segid " A" and resid 124 and name HA ))
2.801 1.081 1.401 peak 2550 weight 1.00000E+00 volume 4.00989E+04 ppm1 1.790 ppm2 4.606
ASSI { 2551}
(( segid " A" and resid 125 and name HB2 ))
(( segid " A" and resid 125 and name HA ))
3.753 1.876 1.876 peak 2551 weight 1.00000E+00 volume 2.35511E+04 ppm1 4.505 ppm2 1.583
ASSI { 2552}
(( segid " A" and resid 111 and name HB ))
(( segid " A" and resid 125 and name HA ))
3.750 1.875 1.875 peak 2552 weight 1.00000E+00 volume 1.76278E+04 ppm1 4.506 ppm2 2.034
ASSI { 2553}
(( segid " A" and resid 125 and name HN ))
(( segid " A" and resid 125 and name HA ))
3.879 1.940 1.940 peak 2553 weight 1.00000E+00 volume 1.34976E+04 ppm1 4.505 ppm2 8.809
ASSI { 2554}
(( segid " A" and resid 125 and name HB2 ))
(( segid " A" and resid 125 and name HA ))
3.551 1.775 1.775 peak 2554 weight 1.00000E+00 volume 4.56662E+05 ppm1 1.572 ppm2 4.502
ASSI { 2555}
(( segid " A" and resid 125 and name HB2 ))
( segid " A" and resid 123 and name HG1#)
4.076 2.038 2.038 peak 2555 weight 1.00000E+00 volume 1.99514E+05 ppm1 1.577 ppm2 0.545
ASSI { 2556}
(( segid " A" and resid 126 and name HA ))
(( segid " A" and resid 126 and name HB2 ))
2.731 1.011 1.366 peak 2556 weight 1.00000E+00 volume 2.20507E+06 ppm1 4.511 ppm2 2.153
ASSI { 2558}
(( segid " A" and resid 127 and name HN ))
(( segid " A" and resid 126 and name HB2 ))
5.257 2.628 2.628 peak 2558 weight 1.00000E+00 volume 4.33941E+04 ppm1 2.153 ppm2 8.586
ASSI { 2559}
(( segid " A" and resid 128 and name HN ))
(( segid " A" and resid 126 and name HB2 ))
5.028 2.514 2.514 peak 2559 weight 1.00000E+00 volume 5.66731E+04 ppm1 2.154 ppm2 7.420
ASSI { 2561}
(( segid " A" and resid 127 and name HN ))
(( segid " A" and resid 127 and name HA ))
4.966 2.483 2.483 peak 2561 weight 1.00000E+00 volume 6.10159E+04 ppm1 3.774 ppm2 8.591
ASSI { 2562}
(( segid " A" and resid 177 and name HN ))
(( segid " A" and resid 127 and name HA ))
4.497 2.249 2.249 peak 2562 weight 1.00000E+00 volume 1.55221E+04 ppm1 3.767 ppm2 8.835
ASSI { 2563}
(( segid " A" and resid 177 and name HN ))
(( segid " A" and resid 127 and name HB2 ))
4.994 2.497 2.497 peak 2563 weight 1.00000E+00 volume 5.90512E+04 ppm1 1.838 ppm2 8.843
ASSI { 2564}
(( segid " A" and resid 127 and name HN ))
(( segid " A" and resid 127 and name HB2 ))
3.358 1.638 1.679 peak 2564 weight 1.00000E+00 volume 1.40122E+04 ppm1 1.844 ppm2 8.588
ASSI { 2565}
(( segid " A" and resid 128 and name HN ))
(( segid " A" and resid 127 and name HB2 ))
3.540 1.770 1.770 peak 2565 weight 1.00000E+00 volume 4.83802E+04 ppm1 1.842 ppm2 7.418
ASSI { 2567}
(( segid " A" and resid 127 and name HA ))
(( segid " A" and resid 127 and name HB2 ))
2.861 1.141 1.431 peak 2567 weight 1.00000E+00 volume 1.13810E+05 ppm1 1.843 ppm2 3.769
ASSI { 2569}
( segid " A" and resid 129 and name HG2#)
(( segid " A" and resid 128 and name HA ))
3.207 1.487 1.603 peak 2569 weight 1.00000E+00 volume 5.06376E+04 ppm1 5.430 ppm2 0.702
ASSI { 2571}
(( segid " A" and resid 128 and name HA ))
(( segid " A" and resid 175 and name HA ))
3.448 1.724 1.724 peak 2571 weight 1.00000E+00 volume 5.44830E+05 ppm1 5.430 ppm2 4.808
ASSI { 2572}
(( segid " A" and resid 128 and name HA ))
(( segid " A" and resid 128 and name HN ))
3.755 1.878 1.878 peak 2572 weight 1.00000E+00 volume 3.26470E+05 ppm1 5.433 ppm2 7.415
ASSI { 2573}
(( segid " A" and resid 128 and name HB ))
(( segid " A" and resid 128 and name HN ))
4.013 2.006 2.006 peak 2573 weight 1.00000E+00 volume 2.19305E+05 ppm1 3.975 ppm2 7.409
ASSI { 2574}
( segid " A" and resid 129 and name HG2#)
(( segid " A" and resid 129 and name HA ))
3.258 1.538 1.629 peak 2574 weight 1.00000E+00 volume 5.53211E+04 ppm1 4.628 ppm2 0.696
ASSI { 2576}
(( segid " A" and resid 130 and name HG2 ))
(( segid " A" and resid 129 and name HA ))
3.660 1.830 1.830 peak 2576 weight 1.00000E+00 volume 3.80627E+05 ppm1 4.623 ppm2 2.231
ASSI { 2577}
(( segid " A" and resid 129 and name HN ))
(( segid " A" and resid 129 and name HA ))
2.954 1.234 1.477 peak 2577 weight 1.00000E+00 volume 1.37918E+06 ppm1 4.627 ppm2 8.529
ASSI { 2578}
(( segid " A" and resid 129 and name HN ))
(( segid " A" and resid 129 and name HB ))
3.412 1.692 1.706 peak 2578 weight 1.00000E+00 volume 5.80518E+05 ppm1 1.990 ppm2 8.529
ASSI { 2579}
(( segid " A" and resid 129 and name HA ))
(( segid " A" and resid 129 and name HB ))
3.044 1.324 1.522 peak 2579 weight 1.00000E+00 volume 1.15166E+06 ppm1 1.986 ppm2 4.628
ASSI { 2581}
( segid " A" and resid 129 and name HG1#)
(( segid " A" and resid 129 and name HB ))
2.736 1.016 1.368 peak 2581 weight 1.00000E+00 volume 2.18261E+06 ppm1 1.989 ppm2 0.904
ASSI { 2583}
( segid " A" and resid 129 and name HG2#)
(( segid " A" and resid 129 and name HB ))
2.938 1.218 1.469 peak 2583 weight 1.00000E+00 volume 1.42292E+06 ppm1 1.992 ppm2 0.703
ASSI { 2584}
(( segid " A" and resid 174 and name HN ))
(( segid " A" and resid 130 and name HA ))
3.042 1.322 1.521 peak 2584 weight 1.00000E+00 volume 1.15546E+06 ppm1 5.471 ppm2 8.980
ASSI { 2585}
(( segid " A" and resid 131 and name HN ))
(( segid " A" and resid 130 and name HA ))
2.961 1.241 1.480 peak 2585 weight 1.00000E+00 volume 4.73470E+04 ppm1 5.469 ppm2 8.943
ASSI { 2586}
(( segid " A" and resid 130 and name HA ))
(( segid " A" and resid 130 and name HN ))
4.087 2.043 2.043 peak 2586 weight 1.00000E+00 volume 5.58225E+03 ppm1 5.479 ppm2 8.032
ASSI { 2587}
(( segid " A" and resid 130 and name HA ))
(( segid " A" and resid 173 and name HA ))
3.066 1.346 1.533 peak 2587 weight 1.00000E+00 volume 4.41392E+04 ppm1 5.471 ppm2 4.703
ASSI { 2588}
(( segid " A" and resid 130 and name HA ))
(( segid " A" and resid 130 and name HG2 ))
3.565 1.782 1.782 peak 2588 weight 1.00000E+00 volume 9.80712E+03 ppm1 5.467 ppm2 2.229
ASSI { 2589}
(( segid " A" and resid 130 and name HA ))
(( segid " A" and resid 130 and name HB2 ))
3.112 1.392 1.556 peak 2589 weight 1.00000E+00 volume 1.00698E+06 ppm1 5.467 ppm2 2.022
ASSI { 2590}
(( segid " A" and resid 130 and name HA ))
(( segid " A" and resid 130 and name HB1 ))
3.265 1.545 1.633 peak 2590 weight 1.00000E+00 volume 7.55119E+05 ppm1 5.471 ppm2 1.885
ASSI { 2591}
(( segid " A" and resid 130 and name HA ))
( segid " A" and resid 129 and name HG1#)
3.907 1.953 1.953 peak 2591 weight 1.00000E+00 volume 9.80812E+03 ppm1 5.475 ppm2 0.906
ASSI { 2592}
(( segid " A" and resid 130 and name HA ))
( segid " A" and resid 129 and name HG2#)
3.444 1.722 1.722 peak 2592 weight 1.00000E+00 volume 1.53374E+04 ppm1 5.471 ppm2 0.701
ASSI { 2595}
(( segid " A" and resid 130 and name HN ))
(( segid " A" and resid 130 and name HB1 ))
4.183 2.091 2.091 peak 2595 weight 1.00000E+00 volume 1.70960E+05 ppm1 1.886 ppm2 8.036
ASSI { 2596}
(( segid " A" and resid 130 and name HN ))
(( segid " A" and resid 130 and name HB2 ))
4.291 2.145 2.145 peak 2596 weight 1.00000E+00 volume 1.46717E+05 ppm1 2.027 ppm2 8.031
ASSI { 2597}
(( segid " A" and resid 131 and name HN ))
(( segid " A" and resid 130 and name HB1 ))
3.267 1.547 1.633 peak 2597 weight 1.00000E+00 volume 7.53444E+05 ppm1 1.884 ppm2 8.947
ASSI { 2598}
(( segid " A" and resid 131 and name HN ))
(( segid " A" and resid 130 and name HB2 ))
4.108 2.054 2.054 peak 2598 weight 1.00000E+00 volume 1.90501E+05 ppm1 2.027 ppm2 8.949
ASSI { 2599}
(( segid " A" and resid 131 and name HN ))
(( segid " A" and resid 131 and name HA ))
3.872 1.936 1.936 peak 2599 weight 1.00000E+00 volume 2.71633E+05 ppm1 5.145 ppm2 8.946
ASSI { 2600}
(( segid " A" and resid 155 and name HG2 ))
(( segid " A" and resid 131 and name HA ))
3.847 1.924 1.924 peak 2600 weight 1.00000E+00 volume 2.82354E+05 ppm1 5.165 ppm2 2.441
ASSI { 2601}
(( segid " A" and resid 155 and name HG1 ))
(( segid " A" and resid 131 and name HA ))
3.950 1.975 1.975 peak 2601 weight 1.00000E+00 volume 2.41001E+05 ppm1 5.151 ppm2 2.308
ASSI { 2602}
(( segid " A" and resid 131 and name HA ))
( segid " A" and resid 131 and name HD1#)
3.954 1.977 1.977 peak 2602 weight 1.00000E+00 volume 2.39680E+05 ppm1 5.140 ppm2 0.807
ASSI { 2604}
( segid " A" and resid 131 and name HD1#)
(( segid " A" and resid 131 and name HB2 ))
3.691 1.845 1.845 peak 2604 weight 1.00000E+00 volume 1.48912E+04 ppm1 1.754 ppm2 0.807
ASSI { 2605}
( segid " A" and resid 156 and name HG2#)
(( segid " A" and resid 131 and name HB2 ))
3.519 1.759 1.759 peak 2605 weight 1.00000E+00 volume 4.82501E+05 ppm1 1.760 ppm2 1.160
ASSI { 2606}
( segid " A" and resid 154 and name HG1#)
(( segid " A" and resid 131 and name HB2 ))
3.534 1.767 1.767 peak 2606 weight 1.00000E+00 volume 4.69642E+05 ppm1 1.758 ppm2 1.194
ASSI { 2607}
(( segid " A" and resid 155 and name HG1 ))
(( segid " A" and resid 131 and name HB2 ))
3.732 1.866 1.866 peak 2607 weight 1.00000E+00 volume 1.57538E+04 ppm1 1.765 ppm2 2.311
ASSI { 2608}
(( segid " A" and resid 155 and name HG2 ))
(( segid " A" and resid 131 and name HB2 ))
4.509 2.255 2.255 peak 2608 weight 1.00000E+00 volume 4.27562E+03 ppm1 1.758 ppm2 2.410
ASSI { 2609}
(( segid " A" and resid 131 and name HA ))
(( segid " A" and resid 131 and name HB2 ))
4.174 2.087 2.087 peak 2609 weight 1.00000E+00 volume 1.11871E+04 ppm1 1.740 ppm2 5.139
ASSI { 2610}
(( segid " A" and resid 156 and name HN ))
(( segid " A" and resid 131 and name HB2 ))
4.404 2.202 2.202 peak 2610 weight 1.00000E+00 volume 9.03838E+03 ppm1 1.758 ppm2 6.722
ASSI { 2611}
(( segid " A" and resid 155 and name HN ))
(( segid " A" and resid 131 and name HB2 ))
4.323 2.161 2.161 peak 2611 weight 1.00000E+00 volume 7.10988E+03 ppm1 1.788 ppm2 8.396
ASSI { 2612}
(( segid " A" and resid 131 and name HN ))
(( segid " A" and resid 131 and name HB2 ))
4.009 2.005 2.005 peak 2612 weight 1.00000E+00 volume 1.21786E+04 ppm1 1.755 ppm2 8.943
ASSI { 2613}
(( segid " A" and resid 132 and name HN ))
(( segid " A" and resid 132 and name HA ))
4.521 2.261 2.261 peak 2613 weight 1.00000E+00 volume 7.26050E+03 ppm1 4.783 ppm2 9.745
ASSI { 2614}
(( segid " A" and resid 171 and name HA ))
(( segid " A" and resid 132 and name HA ))
2.629 0.909 1.315 peak 2614 weight 1.00000E+00 volume 9.89181E+04 ppm1 4.785 ppm2 4.313
ASSI { 2615}
(( segid " A" and resid 132 and name HA ))
(( segid " A" and resid 132 and name HB ))
2.799 1.079 1.399 peak 2615 weight 1.00000E+00 volume 6.42398E+04 ppm1 4.784 ppm2 4.281
ASSI { 2617}
( segid " A" and resid 133 and name HG2#)
(( segid " A" and resid 132 and name HA ))
3.103 1.383 1.551 peak 2617 weight 1.00000E+00 volume 5.46356E+04 ppm1 4.785 ppm2 0.776
ASSI { 2619}
(( segid " A" and resid 155 and name HB2 ))
(( segid " A" and resid 132 and name HB ))
4.579 2.289 2.289 peak 2619 weight 1.00000E+00 volume -3.00475E+03 ppm1 4.284 ppm2 2.040
ASSI { 2620}
(( segid " A" and resid 155 and name HG1 ))
(( segid " A" and resid 132 and name HB ))
8.000 4.000 0.000 peak 2620 weight 1.00000E+00 volume 1.91012E+03 ppm1 4.269 ppm2 2.317
ASSI { 2621}
(( segid " A" and resid 155 and name HG2 ))
(( segid " A" and resid 132 and name HB ))
4.169 2.084 2.084 peak 2621 weight 1.00000E+00 volume 1.74373E+05 ppm1 4.281 ppm2 2.453
ASSI { 2622}
(( segid " A" and resid 132 and name HA ))
(( segid " A" and resid 132 and name HB ))
3.323 1.603 1.661 peak 2622 weight 1.00000E+00 volume 6.79977E+05 ppm1 4.273 ppm2 4.783
ASSI { 2624}
(( segid " A" and resid 132 and name HN ))
( segid " A" and resid 132 and name HG2#)
3.542 1.771 1.771 peak 2624 weight 1.00000E+00 volume 4.63734E+05 ppm1 1.082 ppm2 9.750
ASSI { 2625}
(( segid " A" and resid 133 and name HN ))
( segid " A" and resid 132 and name HG2#)
2.925 1.205 1.463 peak 2625 weight 1.00000E+00 volume 1.46179E+06 ppm1 1.085 ppm2 9.200
ASSI { 2626}
(( segid " A" and resid 171 and name HN ))
( segid " A" and resid 132 and name HG2#)
4.049 2.025 2.025 peak 2626 weight 1.00000E+00 volume 2.42198E+04 ppm1 1.090 ppm2 8.648
ASSI { 2627}
(( segid " A" and resid 170 and name HN ))
( segid " A" and resid 132 and name HG2#)
4.185 2.093 2.093 peak 2627 weight 1.00000E+00 volume 3.63551E+04 ppm1 1.078 ppm2 7.844
ASSI { 2628}
( segid " A" and resid 132 and name HG2#)
(( segid " A" and resid 132 and name HA ))
2.702 0.982 1.351 peak 2628 weight 1.00000E+00 volume 1.79521E+05 ppm1 1.085 ppm2 4.789
ASSI { 2630}
(( segid " A" and resid 169 and name HA2 ))
( segid " A" and resid 132 and name HG2#)
2.553 0.833 1.276 peak 2630 weight 1.00000E+00 volume 2.42351E+05 ppm1 1.084 ppm2 4.387
ASSI { 2631}
(( segid " A" and resid 171 and name HA ))
( segid " A" and resid 132 and name HG2#)
2.770 1.050 1.385 peak 2631 weight 1.00000E+00 volume 1.59353E+05 ppm1 1.085 ppm2 4.301
ASSI { 2632}
(( segid " A" and resid 169 and name HA1 ))
( segid " A" and resid 132 and name HG2#)
3.390 1.670 1.695 peak 2632 weight 1.00000E+00 volume 6.03501E+05 ppm1 1.087 ppm2 3.474
ASSI { 2633}
( segid " A" and resid 132 and name HG2#)
(( segid " A" and resid 155 and name HB2 ))
3.192 1.472 1.596 peak 2633 weight 1.00000E+00 volume -5.28945E+04 ppm1 1.079 ppm2 2.034
ASSI { 2637}
( segid " A" and resid 154 and name HG1#)
(( segid " A" and resid 133 and name HA ))
4.049 2.024 2.024 peak 2637 weight 1.00000E+00 volume 2.07832E+05 ppm1 4.026 ppm2 1.192
ASSI { 2638}
(( segid " A" and resid 133 and name HA ))
(( segid " A" and resid 154 and name HB ))
4.150 2.075 2.075 peak 2638 weight 1.00000E+00 volume -1.79291E+05 ppm1 4.044 ppm2 1.967
ASSI { 2639}
(( segid " A" and resid 154 and name HA ))
(( segid " A" and resid 133 and name HA ))
3.875 1.938 1.938 peak 2639 weight 1.00000E+00 volume 2.70300E+05 ppm1 4.029 ppm2 4.252
ASSI { 2641}
(( segid " A" and resid 155 and name HN ))
(( segid " A" and resid 133 and name HA ))
4.324 2.162 2.162 peak 2641 weight 1.00000E+00 volume 1.76942E+04 ppm1 4.029 ppm2 8.385
ASSI { 2642}
(( segid " A" and resid 133 and name HN ))
(( segid " A" and resid 133 and name HA ))
4.780 2.390 2.390 peak 2642 weight 1.00000E+00 volume 8.22100E+03 ppm1 4.028 ppm2 9.195
ASSI { 2643}
(( segid " A" and resid 134 and name HN ))
(( segid " A" and resid 133 and name HA ))
4.070 2.035 2.035 peak 2643 weight 1.00000E+00 volume 1.80440E+04 ppm1 4.033 ppm2 9.424
ASSI { 2646}
(( segid " A" and resid 133 and name HN ))
( segid " A" and resid 133 and name HG1#)
3.132 1.412 1.566 peak 2646 weight 1.00000E+00 volume 1.74163E+05 ppm1 0.967 ppm2 9.197
ASSI { 2648}
(( segid " A" and resid 153 and name HN ))
( segid " A" and resid 133 and name HG1#)
2.769 1.049 1.384 peak 2648 weight 1.00000E+00 volume 1.02206E+05 ppm1 0.966 ppm2 9.104
ASSI { 2649}
(( segid " A" and resid 169 and name HN ))
( segid " A" and resid 133 and name HG1#)
3.325 1.605 1.663 peak 2649 weight 1.00000E+00 volume 4.61809E+04 ppm1 0.971 ppm2 8.791
ASSI { 2650}
(( segid " A" and resid 170 and name HN ))
( segid " A" and resid 133 and name HG1#)
3.813 1.906 1.906 peak 2650 weight 1.00000E+00 volume 6.11795E+04 ppm1 0.968 ppm2 7.845
ASSI { 2656}
(( segid " A" and resid 154 and name HA ))
( segid " A" and resid 133 and name HG1#)
3.939 1.970 1.970 peak 2656 weight 1.00000E+00 volume -6.58798E+04 ppm1 0.968 ppm2 4.256
ASSI { 2667}
(( segid " A" and resid 169 and name HA1 ))
(( segid " A" and resid 134 and name HA ))
5.418 2.709 2.582 peak 2667 weight 1.00000E+00 volume 7.10975E+03 ppm1 4.425 ppm2 3.499
ASSI { 2668}
(( segid " A" and resid 134 and name HA ))
(( segid " A" and resid 134 and name HB ))
3.035 1.315 1.518 peak 2668 weight 1.00000E+00 volume 1.02997E+05 ppm1 4.430 ppm2 4.145
ASSI { 2670}
(( segid " A" and resid 169 and name HN ))
(( segid " A" and resid 134 and name HA ))
4.071 2.035 2.035 peak 2670 weight 1.00000E+00 volume 1.76958E+04 ppm1 4.427 ppm2 8.790
ASSI { 2671}
(( segid " A" and resid 134 and name HN ))
(( segid " A" and resid 134 and name HA ))
3.801 1.900 1.900 peak 2671 weight 1.00000E+00 volume 2.58222E+04 ppm1 4.425 ppm2 9.422
ASSI { 2672}
(( segid " A" and resid 134 and name HN ))
(( segid " A" and resid 134 and name HB ))
4.001 2.000 2.000 peak 2672 weight 1.00000E+00 volume 7.89475E+03 ppm1 4.143 ppm2 9.421
ASSI { 2683}
(( segid " A" and resid 137 and name HN ))
(( segid " A" and resid 136 and name HA ))
4.348 2.174 2.174 peak 2683 weight 1.00000E+00 volume 4.62275E+03 ppm1 4.291 ppm2 8.178
ASSI { 2684}
(( segid " A" and resid 136 and name HN ))
(( segid " A" and resid 136 and name HB ))
6.168 3.084 1.832 peak 2684 weight 1.00000E+00 volume -1.66295E+04 ppm1 4.314 ppm2 8.718
ASSI { 2685}
(( segid " A" and resid 137 and name HN ))
(( segid " A" and resid 136 and name HB ))
4.067 2.034 2.034 peak 2685 weight 1.00000E+00 volume 2.02198E+05 ppm1 4.312 ppm2 8.178
ASSI { 2689}
(( segid " A" and resid 137 and name HB1 ))
(( segid " A" and resid 137 and name HA ))
2.723 1.003 1.361 peak 2689 weight 1.00000E+00 volume 1.54107E+05 ppm1 4.600 ppm2 1.907
ASSI { 2690}
(( segid " A" and resid 137 and name HB2 ))
(( segid " A" and resid 137 and name HA ))
2.651 0.931 1.326 peak 2690 weight 1.00000E+00 volume 1.93999E+05 ppm1 4.611 ppm2 2.090
ASSI { 2691}
(( segid " A" and resid 137 and name HG2 ))
(( segid " A" and resid 137 and name HA ))
3.072 1.352 1.536 peak 2691 weight 1.00000E+00 volume 7.84308E+04 ppm1 4.613 ppm2 2.313
ASSI { 2692}
(( segid " A" and resid 137 and name HN ))
(( segid " A" and resid 137 and name HA ))
3.723 1.862 1.862 peak 2692 weight 1.00000E+00 volume 4.85984E+04 ppm1 4.614 ppm2 8.172
ASSI { 2693}
(( segid " A" and resid 137 and name HN ))
(( segid " A" and resid 137 and name HB1 ))
3.475 1.737 1.737 peak 2693 weight 1.00000E+00 volume 1.88556E+04 ppm1 1.906 ppm2 8.170
ASSI { 2694}
(( segid " A" and resid 137 and name HN ))
(( segid " A" and resid 137 and name HB2 ))
4.120 2.060 2.060 peak 2694 weight 1.00000E+00 volume 1.41965E+04 ppm1 2.087 ppm2 8.174
ASSI { 2695}
(( segid " A" and resid 137 and name HB1 ))
(( segid " A" and resid 137 and name HA ))
2.750 1.030 1.375 peak 2695 weight 1.00000E+00 volume 2.11892E+06 ppm1 1.907 ppm2 4.610
ASSI { 2696}
(( segid " A" and resid 137 and name HB2 ))
(( segid " A" and resid 137 and name HA ))
2.725 1.005 1.362 peak 2696 weight 1.00000E+00 volume 2.23708E+06 ppm1 2.085 ppm2 4.612
ASSI { 2697}
( segid " A" and resid 164 and name HD2#)
( segid " A" and resid 148 and name HB# )
2.345 0.625 1.172 peak 2697 weight 1.00000E+00 volume 5.50754E+06 ppm1 1.400 ppm2 0.839
ASSI { 2698}
( segid " A" and resid 164 and name HD1#)
( segid " A" and resid 148 and name HB# )
2.991 1.271 1.496 peak 2698 weight 1.00000E+00 volume 1.27865E+06 ppm1 1.397 ppm2 0.630
ASSI { 2700}
(( segid " A" and resid 149 and name HA ))
(( segid " A" and resid 149 and name HB ))
3.110 1.390 1.555 peak 2700 weight 1.00000E+00 volume 6.03412E+04 ppm1 4.782 ppm2 3.936
ASSI { 2701}
(( segid " A" and resid 163 and name HA ))
(( segid " A" and resid 149 and name HA ))
2.699 0.979 1.349 peak 2701 weight 1.00000E+00 volume 2.36870E+06 ppm1 4.774 ppm2 4.285
ASSI { 2702}
(( segid " A" and resid 164 and name HN ))
(( segid " A" and resid 149 and name HA ))
7.287 3.644 0.713 peak 2702 weight 1.00000E+00 volume 6.11462E+03 ppm1 4.781 ppm2 7.790
ASSI { 2703}
(( segid " A" and resid 149 and name HA ))
(( segid " A" and resid 149 and name HN ))
5.404 2.702 2.596 peak 2703 weight 1.00000E+00 volume 3.67494E+04 ppm1 4.779 ppm2 7.906
ASSI { 2704}
(( segid " A" and resid 149 and name HB ))
(( segid " A" and resid 149 and name HN ))
4.389 2.194 2.194 peak 2704 weight 1.00000E+00 volume 1.28111E+05 ppm1 3.930 ppm2 7.882
ASSI { 2705}
(( segid " A" and resid 161 and name HA ))
(( segid " A" and resid 149 and name HB ))
3.857 1.928 1.928 peak 2705 weight 1.00000E+00 volume 2.78223E+05 ppm1 3.926 ppm2 5.309
ASSI { 2706}
(( segid " A" and resid 149 and name HA ))
(( segid " A" and resid 149 and name HB ))
2.927 1.207 1.463 peak 2706 weight 1.00000E+00 volume 1.45694E+06 ppm1 3.926 ppm2 4.762
ASSI { 2707}
( segid " A" and resid 164 and name HD2#)
(( segid " A" and resid 150 and name HA ))
4.341 2.170 2.170 peak 2707 weight 1.00000E+00 volume -1.36898E+05 ppm1 4.731 ppm2 0.834
ASSI { 2709}
( segid " A" and resid 164 and name HD1#)
(( segid " A" and resid 150 and name HB2 ))
2.785 1.065 1.392 peak 2709 weight 1.00000E+00 volume 1.96395E+06 ppm1 1.693 ppm2 0.633
ASSI { 2710}
( segid " A" and resid 164 and name HD1#)
(( segid " A" and resid 150 and name HB2 ))
2.792 1.072 1.396 peak 2710 weight 1.00000E+00 volume 8.35212E+04 ppm1 1.691 ppm2 0.680
ASSI { 2712}
(( segid " A" and resid 164 and name HA ))
(( segid " A" and resid 150 and name HB2 ))
7.595 3.798 0.405 peak 2712 weight 1.00000E+00 volume 6.87162E+03 ppm1 1.702 ppm2 3.527
ASSI { 2713}
(( segid " A" and resid 150 and name HA ))
(( segid " A" and resid 150 and name HB2 ))
2.708 0.988 1.354 peak 2713 weight 1.00000E+00 volume 1.03854E+05 ppm1 1.688 ppm2 4.724
ASSI { 2715}
(( segid " A" and resid 162 and name HN ))
(( segid " A" and resid 151 and name HA ))
4.395 2.198 2.198 peak 2715 weight 1.00000E+00 volume 7.78675E+03 ppm1 4.680 ppm2 9.288
ASSI { 2716}
( segid " A" and resid 152 and name HB# )
(( segid " A" and resid 151 and name HA ))
4.085 2.042 2.042 peak 2716 weight 1.00000E+00 volume 1.84742E+04 ppm1 4.648 ppm2 1.221
ASSI { 2717}
(( segid " A" and resid 151 and name HB2 ))
(( segid " A" and resid 151 and name HA ))
2.431 0.711 1.215 peak 2717 weight 1.00000E+00 volume 2.15358E+05 ppm1 3.602 ppm2 4.688
ASSI { 2718}
(( segid " A" and resid 152 and name HA ))
(( segid " A" and resid 136 and name HA ))
3.431 1.711 1.716 peak 2718 weight 1.00000E+00 volume 5.60812E+05 ppm1 4.922 ppm2 4.298
ASSI { 2719}
(( segid " A" and resid 152 and name HA ))
(( segid " A" and resid 136 and name HB ))
3.318 1.598 1.659 peak 2719 weight 1.00000E+00 volume 6.86469E+05 ppm1 4.922 ppm2 4.315
ASSI { 2720}
(( segid " A" and resid 152 and name HN ))
(( segid " A" and resid 152 and name HA ))
3.889 1.945 1.945 peak 2720 weight 1.00000E+00 volume 2.64537E+05 ppm1 4.924 ppm2 9.177
ASSI { 2721}
(( segid " A" and resid 152 and name HN ))
( segid " A" and resid 152 and name HB# )
2.831 1.111 1.416 peak 2721 weight 1.00000E+00 volume 8.86700E+04 ppm1 1.222 ppm2 9.188
ASSI { 2722}
(( segid " A" and resid 162 and name HN ))
( segid " A" and resid 152 and name HB# )
3.457 1.729 1.729 peak 2722 weight 1.00000E+00 volume 1.72005E+04 ppm1 1.227 ppm2 9.285
ASSI { 2723}
(( segid " A" and resid 153 and name HN ))
( segid " A" and resid 152 and name HB# )
2.869 1.149 1.434 peak 2723 weight 1.00000E+00 volume 1.04521E+05 ppm1 1.224 ppm2 9.102
ASSI { 2724}
(( segid " A" and resid 160 and name HN ))
( segid " A" and resid 152 and name HB# )
3.598 1.799 1.799 peak 2724 weight 1.00000E+00 volume 1.62541E+04 ppm1 1.228 ppm2 8.870
ASSI { 2725}
( segid " A" and resid 152 and name HB# )
(( segid " A" and resid 137 and name HN ))
4.004 2.002 2.002 peak 2725 weight 1.00000E+00 volume -2.22263E+05 ppm1 1.213 ppm2 8.170
ASSI { 2726}
(( segid " A" and resid 152 and name HA ))
( segid " A" and resid 152 and name HB# )
2.914 1.194 1.457 peak 2726 weight 1.00000E+00 volume 1.49521E+06 ppm1 1.227 ppm2 4.923
ASSI { 2729}
( segid " A" and resid 152 and name HB# )
( segid " A" and resid 133 and name HG2#)
2.492 0.772 1.246 peak 2729 weight 1.00000E+00 volume 2.39784E+05 ppm1 1.223 ppm2 0.775
ASSI { 2730}
( segid " A" and resid 154 and name HG1#)
(( segid " A" and resid 153 and name HA ))
3.180 1.460 1.590 peak 2730 weight 1.00000E+00 volume 8.84522E+05 ppm1 5.112 ppm2 1.191
ASSI { 2731}
(( segid " A" and resid 153 and name HB ))
(( segid " A" and resid 153 and name HA ))
4.298 2.149 2.149 peak 2731 weight 1.00000E+00 volume 1.45201E+05 ppm1 5.112 ppm2 3.769
ASSI { 2732}
(( segid " A" and resid 159 and name HA ))
(( segid " A" and resid 153 and name HA ))
3.590 1.795 1.795 peak 2732 weight 1.00000E+00 volume 2.47518E+04 ppm1 5.118 ppm2 5.227
ASSI { 2733}
(( segid " A" and resid 158 and name HN ))
(( segid " A" and resid 153 and name HA ))
4.464 2.232 2.232 peak 2733 weight 1.00000E+00 volume 6.99550E+03 ppm1 5.092 ppm2 7.045
ASSI { 2734}
(( segid " A" and resid 160 and name HN ))
(( segid " A" and resid 153 and name HA ))
3.605 1.802 1.802 peak 2734 weight 1.00000E+00 volume 1.89582E+04 ppm1 5.116 ppm2 8.883
ASSI { 2735}
(( segid " A" and resid 153 and name HN ))
(( segid " A" and resid 153 and name HA ))
3.908 1.954 1.954 peak 2735 weight 1.00000E+00 volume 9.21762E+03 ppm1 5.112 ppm2 9.104
ASSI { 2736}
(( segid " A" and resid 153 and name HN ))
(( segid " A" and resid 153 and name HB ))
3.523 1.761 1.761 peak 2736 weight 1.00000E+00 volume 4.79135E+05 ppm1 3.772 ppm2 9.102
ASSI { 2737}
(( segid " A" and resid 153 and name HB ))
(( segid " A" and resid 153 and name HA ))
3.955 1.978 1.978 peak 2737 weight 1.00000E+00 volume 2.39095E+05 ppm1 3.773 ppm2 5.127
ASSI { 2738}
(( segid " A" and resid 154 and name HA ))
( segid " A" and resid 133 and name HG2#)
3.470 1.735 1.735 peak 2738 weight 1.00000E+00 volume 5.24838E+05 ppm1 4.257 ppm2 0.778
ASSI { 2739}
(( segid " A" and resid 154 and name HA ))
( segid " A" and resid 134 and name HG2#)
3.455 1.728 1.728 peak 2739 weight 1.00000E+00 volume 5.37942E+05 ppm1 4.256 ppm2 0.787
ASSI { 2740}
(( segid " A" and resid 154 and name HA ))
( segid " A" and resid 133 and name HG1#)
3.615 1.807 1.807 peak 2740 weight 1.00000E+00 volume 4.10546E+05 ppm1 4.255 ppm2 0.971
ASSI { 2741}
( segid " A" and resid 154 and name HG1#)
(( segid " A" and resid 154 and name HA ))
4.050 2.025 2.025 peak 2741 weight 1.00000E+00 volume 2.07374E+05 ppm1 4.254 ppm2 1.191
ASSI { 2742}
(( segid " A" and resid 154 and name HA ))
(( segid " A" and resid 133 and name HA ))
3.375 1.655 1.688 peak 2742 weight 1.00000E+00 volume 1.41771E+04 ppm1 4.256 ppm2 4.033
ASSI { 2743}
(( segid " A" and resid 154 and name HN ))
(( segid " A" and resid 154 and name HA ))
5.260 2.630 2.630 peak 2743 weight 1.00000E+00 volume -4.32175E+04 ppm1 4.254 ppm2 8.758
ASSI { 2745}
(( segid " A" and resid 154 and name HN ))
(( segid " A" and resid 154 and name HB ))
3.940 1.970 1.970 peak 2745 weight 1.00000E+00 volume 1.63145E+04 ppm1 1.948 ppm2 8.750
ASSI { 2746}
(( segid " A" and resid 155 and name HN ))
(( segid " A" and resid 154 and name HB ))
3.777 1.889 1.889 peak 2746 weight 1.00000E+00 volume 1.62078E+04 ppm1 1.955 ppm2 8.410
ASSI { 2747}
(( segid " A" and resid 156 and name HN ))
(( segid " A" and resid 154 and name HB ))
5.287 2.644 2.644 peak 2747 weight 1.00000E+00 volume 7.92888E+03 ppm1 1.943 ppm2 6.729
ASSI { 2748}
(( segid " A" and resid 154 and name HA ))
(( segid " A" and resid 154 and name HB ))
3.994 1.997 1.997 peak 2748 weight 1.00000E+00 volume 1.87829E+04 ppm1 1.955 ppm2 4.274
ASSI { 2749}
(( segid " A" and resid 155 and name HG2 ))
(( segid " A" and resid 154 and name HB ))
3.383 1.663 1.691 peak 2749 weight 1.00000E+00 volume 1.28449E+04 ppm1 1.954 ppm2 2.446
ASSI { 2752}
( segid " A" and resid 131 and name HD1#)
(( segid " A" and resid 154 and name HB ))
3.082 1.362 1.541 peak 2752 weight 1.00000E+00 volume 6.67086E+04 ppm1 1.955 ppm2 0.802
ASSI { 2754}
(( segid " A" and resid 155 and name HG1 ))
(( segid " A" and resid 155 and name HA ))
3.172 1.452 1.586 peak 2754 weight 1.00000E+00 volume 2.74450E+04 ppm1 4.272 ppm2 2.314
ASSI { 2755}
(( segid " A" and resid 156 and name HN ))
(( segid " A" and resid 155 and name HA ))
3.509 1.755 1.755 peak 2755 weight 1.00000E+00 volume 1.83419E+04 ppm1 4.273 ppm2 6.722
ASSI { 2756}
(( segid " A" and resid 155 and name HN ))
(( segid " A" and resid 155 and name HA ))
3.188 1.468 1.594 peak 2756 weight 1.00000E+00 volume 8.72086E+05 ppm1 4.272 ppm2 8.383
ASSI { 2758}
(( segid " A" and resid 156 and name HN ))
(( segid " A" and resid 155 and name HB2 ))
4.870 2.435 2.435 peak 2758 weight 1.00000E+00 volume -6.86541E+04 ppm1 2.033 ppm2 6.718
ASSI { 2759}
(( segid " A" and resid 155 and name HA ))
(( segid " A" and resid 155 and name HB2 ))
2.832 1.112 1.416 peak 2759 weight 1.00000E+00 volume 1.77475E+06 ppm1 2.040 ppm2 4.260
ASSI { 2760}
(( segid " A" and resid 155 and name HG2 ))
(( segid " A" and resid 155 and name HB2 ))
2.724 1.004 1.362 peak 2760 weight 1.00000E+00 volume 2.24104E+06 ppm1 2.035 ppm2 2.449
ASSI { 2761}
( segid " A" and resid 132 and name HG2#)
(( segid " A" and resid 155 and name HB2 ))
3.833 1.917 1.917 peak 2761 weight 1.00000E+00 volume 2.88522E+05 ppm1 2.036 ppm2 1.084
ASSI { 2763}
(( segid " A" and resid 156 and name HA ))
(( segid " A" and resid 155 and name HG1 ))
3.801 1.901 1.901 peak 2763 weight 1.00000E+00 volume 2.48089E+04 ppm1 4.486 ppm2 2.315
ASSI { 2764}
(( segid " A" and resid 156 and name HA ))
(( segid " A" and resid 155 and name HG2 ))
4.022 2.011 2.011 peak 2764 weight 1.00000E+00 volume 4.56650E+03 ppm1 4.484 ppm2 2.412
ASSI { 2766}
(( segid " A" and resid 104 and name HN ))
(( segid " A" and resid 156 and name HB ))
6.492 3.246 1.508 peak 2766 weight 1.00000E+00 volume 6.68662E+03 ppm1 3.814 ppm2 7.318
ASSI { 2768}
(( segid " A" and resid 156 and name HA ))
(( segid " A" and resid 156 and name HB ))
4.474 2.237 2.237 peak 2768 weight 1.00000E+00 volume 3.12000E+02 ppm1 3.814 ppm2 4.477
ASSI { 2771}
( segid " A" and resid 156 and name HG2#)
(( segid " A" and resid 156 and name HB ))
3.111 1.391 1.556 peak 2771 weight 1.00000E+00 volume 1.00901E+06 ppm1 3.810 ppm2 1.161
ASSI { 2775}
(( segid " A" and resid 158 and name HA ))
(( segid " A" and resid 158 and name HB2 ))
3.438 1.718 1.719 peak 2775 weight 1.00000E+00 volume 2.36861E+04 ppm1 4.467 ppm2 3.062
ASSI { 2776}
( segid " A" and resid 158 and name HD# )
(( segid " A" and resid 158 and name HA ))
3.146 1.426 1.573 peak 2776 weight 1.00000E+00 volume 5.18854E+04 ppm1 4.468 ppm2 6.843
ASSI { 2777}
(( segid " A" and resid 158 and name HA ))
(( segid " A" and resid 158 and name HN ))
3.559 1.779 1.779 peak 2777 weight 1.00000E+00 volume 2.36000E+04 ppm1 4.485 ppm2 7.058
ASSI { 2778}
(( segid " A" and resid 159 and name HN ))
(( segid " A" and resid 158 and name HA ))
3.360 1.640 1.680 peak 2778 weight 1.00000E+00 volume 3.16539E+04 ppm1 4.475 ppm2 7.251
ASSI { 2779}
(( segid " A" and resid 154 and name HN ))
(( segid " A" and resid 158 and name HB2 ))
4.305 2.152 2.152 peak 2779 weight 1.00000E+00 volume 5.96388E+03 ppm1 3.076 ppm2 8.770
ASSI { 2780}
(( segid " A" and resid 158 and name HB2 ))
(( segid " A" and resid 158 and name HN ))
3.321 1.601 1.660 peak 2780 weight 1.00000E+00 volume 3.57476E+04 ppm1 3.061 ppm2 7.052
ASSI { 2782}
( segid " A" and resid 158 and name HD# )
(( segid " A" and resid 158 and name HB2 ))
3.775 1.888 1.888 peak 2782 weight 1.00000E+00 volume 2.80341E+04 ppm1 3.062 ppm2 6.840
ASSI { 2783}
(( segid " A" and resid 158 and name HA ))
(( segid " A" and resid 158 and name HB2 ))
3.868 1.934 1.934 peak 2783 weight 1.00000E+00 volume 1.51898E+04 ppm1 3.063 ppm2 4.474
ASSI { 2784}
(( segid " A" and resid 158 and name HB2 ))
( segid " A" and resid 154 and name HG1#)
3.931 1.966 1.966 peak 2784 weight 1.00000E+00 volume 2.48036E+05 ppm1 3.064 ppm2 1.193
ASSI { 2786}
(( segid " A" and resid 158 and name HB2 ))
( segid " A" and resid 131 and name HD1#)
5.041 2.520 2.520 peak 2786 weight 1.00000E+00 volume 1.70751E+04 ppm1 3.060 ppm2 0.801
ASSI { 2787}
( segid " A" and resid 160 and name HD1#)
(( segid " A" and resid 158 and name HB2 ))
3.824 1.912 1.912 peak 2787 weight 1.00000E+00 volume 1.97652E+04 ppm1 3.067 ppm2 0.721
ASSI { 2788}
(( segid " A" and resid 160 and name HA ))
( segid " A" and resid 160 and name HD1#)
3.340 1.620 1.670 peak 2788 weight 1.00000E+00 volume 4.20161E+04 ppm1 4.579 ppm2 0.719
ASSI { 2789}
(( segid " A" and resid 160 and name HA ))
(( segid " A" and resid 160 and name HB2 ))
4.689 2.345 2.345 peak 2789 weight 1.00000E+00 volume 8.29575E+03 ppm1 4.580 ppm2 1.531
ASSI { 2790}
(( segid " A" and resid 161 and name HN ))
(( segid " A" and resid 160 and name HA ))
2.673 0.953 1.337 peak 2790 weight 1.00000E+00 volume 1.72019E+05 ppm1 4.580 ppm2 8.104
ASSI { 2791}
(( segid " A" and resid 160 and name HN ))
(( segid " A" and resid 160 and name HA ))
3.436 1.716 1.718 peak 2791 weight 1.00000E+00 volume 3.35012E+04 ppm1 4.576 ppm2 8.883
ASSI { 2792}
(( segid " A" and resid 160 and name HN ))
(( segid " A" and resid 160 and name HB2 ))
3.783 1.891 1.891 peak 2792 weight 1.00000E+00 volume 1.72234E+04 ppm1 1.561 ppm2 8.883
ASSI { 2793}
(( segid " A" and resid 161 and name HN ))
(( segid " A" and resid 160 and name HB2 ))
5.361 2.680 2.639 peak 2793 weight 1.00000E+00 volume 6.20938E+03 ppm1 1.540 ppm2 8.099
ASSI { 2794}
(( segid " A" and resid 160 and name HA ))
(( segid " A" and resid 160 and name HB2 ))
3.893 1.946 1.946 peak 2794 weight 1.00000E+00 volume 2.87695E+04 ppm1 1.558 ppm2 4.577
ASSI { 2796}
( segid " A" and resid 160 and name HD1#)
(( segid " A" and resid 160 and name HB2 ))
2.847 1.127 1.424 peak 2796 weight 1.00000E+00 volume 1.71897E+06 ppm1 1.561 ppm2 0.718
ASSI { 2798}
( segid " A" and resid 160 and name HD1#)
( segid " A" and resid 154 and name HG1#)
2.531 0.811 1.266 peak 2798 weight 1.00000E+00 volume 3.47982E+06 ppm1 0.710 ppm2 1.195
ASSI { 2799}
( segid " A" and resid 160 and name HD1#)
( segid " A" and resid 152 and name HB# )
2.588 0.868 1.294 peak 2799 weight 1.00000E+00 volume 7.75392E+04 ppm1 0.709 ppm2 1.223
ASSI { 2801}
( segid " A" and resid 160 and name HD1#)
(( segid " A" and resid 160 and name HB2 ))
2.336 0.616 1.168 peak 2801 weight 1.00000E+00 volume 1.48142E+05 ppm1 0.716 ppm2 1.564
ASSI { 2803}
( segid " A" and resid 160 and name HD1#)
(( segid " A" and resid 158 and name HB2 ))
3.875 1.937 1.937 peak 2803 weight 1.00000E+00 volume -2.70587E+05 ppm1 0.717 ppm2 3.065
ASSI { 2804}
(( segid " A" and resid 160 and name HA ))
( segid " A" and resid 160 and name HD1#)
3.578 1.789 1.789 peak 2804 weight 1.00000E+00 volume 4.36492E+05 ppm1 0.714 ppm2 4.572
ASSI { 2805}
(( segid " A" and resid 161 and name HA ))
( segid " A" and resid 160 and name HD1#)
3.168 1.448 1.584 peak 2805 weight 1.00000E+00 volume 9.05426E+05 ppm1 0.716 ppm2 5.306
ASSI { 2806}
( segid " A" and resid 160 and name HD1#)
( segid " A" and resid 158 and name HD# )
3.646 1.823 1.823 peak 2806 weight 1.00000E+00 volume 3.89867E+05 ppm1 0.702 ppm2 6.840
ASSI { 2807}
(( segid " A" and resid 161 and name HN ))
( segid " A" and resid 160 and name HD1#)
4.150 2.075 2.075 peak 2807 weight 1.00000E+00 volume 7.94775E+03 ppm1 0.714 ppm2 8.089
ASSI { 2808}
(( segid " A" and resid 160 and name HN ))
( segid " A" and resid 160 and name HD1#)
3.145 1.425 1.573 peak 2808 weight 1.00000E+00 volume -1.33520E+04 ppm1 0.718 ppm2 8.885
ASSI { 2809}
(( segid " A" and resid 152 and name HN ))
( segid " A" and resid 160 and name HD1#)
6.408 3.204 1.592 peak 2809 weight 1.00000E+00 volume 1.44362E+04 ppm1 0.718 ppm2 9.193
ASSI { 2810}
(( segid " A" and resid 152 and name HN ))
(( segid " A" and resid 161 and name HA ))
3.453 1.727 1.727 peak 2810 weight 1.00000E+00 volume 2.36322E+04 ppm1 5.307 ppm2 9.188
ASSI { 2811}
(( segid " A" and resid 161 and name HA ))
(( segid " A" and resid 161 and name HN ))
4.007 2.004 2.004 peak 2811 weight 1.00000E+00 volume 2.21162E+05 ppm1 5.305 ppm2 8.101
ASSI { 2812}
(( segid " A" and resid 161 and name HA ))
(( segid " A" and resid 149 and name HB ))
3.834 1.917 1.917 peak 2812 weight 1.00000E+00 volume 2.88320E+05 ppm1 5.313 ppm2 3.928
ASSI { 2813}
(( segid " A" and resid 161 and name HA ))
(( segid " A" and resid 161 and name HB2 ))
4.037 2.018 2.018 peak 2813 weight 1.00000E+00 volume 1.49536E+04 ppm1 5.305 ppm2 2.632
ASSI { 2814}
(( segid " A" and resid 161 and name HA ))
( segid " A" and resid 160 and name HD1#)
3.202 1.482 1.601 peak 2814 weight 1.00000E+00 volume 8.49681E+05 ppm1 5.305 ppm2 0.717
ASSI { 2815}
(( segid " A" and resid 161 and name HA ))
( segid " A" and resid 162 and name HG1#)
3.933 1.967 1.967 peak 2815 weight 1.00000E+00 volume 1.70502E+04 ppm1 5.302 ppm2 0.549
ASSI { 2816}
(( segid " A" and resid 161 and name HB2 ))
( segid " A" and resid 149 and name HG2#)
3.850 1.925 1.925 peak 2816 weight 1.00000E+00 volume 1.37884E+04 ppm1 2.631 ppm2 0.827
ASSI { 2817}
(( segid " A" and resid 161 and name HB2 ))
(( segid " A" and resid 149 and name HB ))
4.117 2.059 2.059 peak 2817 weight 1.00000E+00 volume 1.47525E+04 ppm1 2.616 ppm2 3.920
ASSI { 2818}
(( segid " A" and resid 161 and name HA ))
(( segid " A" and resid 161 and name HB2 ))
3.588 1.794 1.794 peak 2818 weight 1.00000E+00 volume 1.34582E+04 ppm1 2.619 ppm2 5.305
ASSI { 2819}
(( segid " A" and resid 161 and name HN ))
(( segid " A" and resid 161 and name HB2 ))
3.652 1.826 1.826 peak 2819 weight 1.00000E+00 volume 2.96115E+04 ppm1 2.635 ppm2 8.100
ASSI { 2820}
(( segid " A" and resid 150 and name HN ))
(( segid " A" and resid 161 and name HB2 ))
7.243 3.621 0.757 peak 2820 weight 1.00000E+00 volume 6.12750E+03 ppm1 2.635 ppm2 9.076
ASSI { 2821}
(( segid " A" and resid 162 and name HN ))
(( segid " A" and resid 161 and name HB2 ))
4.263 2.132 2.132 peak 2821 weight 1.00000E+00 volume 8.63162E+03 ppm1 2.631 ppm2 9.286
ASSI { 2822}
(( segid " A" and resid 162 and name HN ))
(( segid " A" and resid 162 and name HA ))
3.534 1.767 1.767 peak 2822 weight 1.00000E+00 volume 4.70143E+05 ppm1 4.426 ppm2 9.292
ASSI { 2823}
(( segid " A" and resid 181 and name HB2 ))
(( segid " A" and resid 162 and name HA ))
3.871 1.935 1.935 peak 2823 weight 1.00000E+00 volume 2.72192E+05 ppm1 4.423 ppm2 3.093
ASSI { 2824}
(( segid " A" and resid 181 and name HB1 ))
(( segid " A" and resid 162 and name HA ))
3.923 1.962 1.962 peak 2824 weight 1.00000E+00 volume 2.51131E+05 ppm1 4.428 ppm2 2.992
ASSI { 2825}
(( segid " A" and resid 162 and name HB ))
(( segid " A" and resid 162 and name HA ))
4.282 2.141 2.141 peak 2825 weight 1.00000E+00 volume 5.87775E+03 ppm1 4.426 ppm2 2.250
ASSI { 2827}
( segid " A" and resid 149 and name HG2#)
(( segid " A" and resid 162 and name HA ))
3.945 1.973 1.973 peak 2827 weight 1.00000E+00 volume 1.67038E+04 ppm1 4.404 ppm2 0.828
ASSI { 2828}
( segid " A" and resid 162 and name HG1#)
(( segid " A" and resid 162 and name HA ))
4.524 2.262 2.262 peak 2828 weight 1.00000E+00 volume 1.06772E+05 ppm1 4.438 ppm2 0.546
ASSI { 2829}
(( segid " A" and resid 162 and name HB ))
( segid " A" and resid 162 and name HG1#)
3.662 1.831 1.831 peak 2829 weight 1.00000E+00 volume 3.79858E+05 ppm1 2.260 ppm2 0.573
ASSI { 2830}
(( segid " A" and resid 162 and name HB ))
(( segid " A" and resid 162 and name HA ))
2.992 1.272 1.496 peak 2830 weight 1.00000E+00 volume 5.97792E+04 ppm1 2.253 ppm2 4.443
ASSI { 2831}
(( segid " A" and resid 162 and name HN ))
(( segid " A" and resid 162 and name HB ))
4.197 2.098 2.098 peak 2831 weight 1.00000E+00 volume 8.31738E+03 ppm1 2.258 ppm2 9.286
ASSI { 2832}
(( segid " A" and resid 162 and name HN ))
( segid " A" and resid 162 and name HG1#)
3.312 1.592 1.656 peak 2832 weight 1.00000E+00 volume 2.96559E+04 ppm1 0.547 ppm2 9.288
ASSI { 2833}
(( segid " A" and resid 152 and name HN ))
( segid " A" and resid 162 and name HG1#)
4.291 2.146 2.146 peak 2833 weight 1.00000E+00 volume 3.18434E+04 ppm1 0.547 ppm2 9.190
ASSI { 2834}
(( segid " A" and resid 150 and name HN ))
( segid " A" and resid 162 and name HG1#)
4.221 2.111 2.111 peak 2834 weight 1.00000E+00 volume 2.84811E+04 ppm1 0.546 ppm2 9.083
ASSI { 2835}
(( segid " A" and resid 161 and name HA ))
( segid " A" and resid 162 and name HG1#)
6.327 3.163 1.673 peak 2835 weight 1.00000E+00 volume -2.09316E+04 ppm1 0.548 ppm2 5.305
ASSI { 2836}
(( segid " A" and resid 181 and name HB1 ))
( segid " A" and resid 162 and name HG1#)
4.423 2.211 2.211 peak 2836 weight 1.00000E+00 volume 2.03809E+04 ppm1 0.546 ppm2 2.988
ASSI { 2837}
(( segid " A" and resid 162 and name HB ))
( segid " A" and resid 162 and name HG1#)
3.949 1.974 1.974 peak 2837 weight 1.00000E+00 volume -1.83649E+04 ppm1 0.549 ppm2 2.257
ASSI { 2839}
( segid " A" and resid 162 and name HG1#)
( segid " A" and resid 152 and name HB# )
3.261 1.541 1.630 peak 2839 weight 1.00000E+00 volume 4.29336E+04 ppm1 0.549 ppm2 1.222
ASSI { 2840}
(( segid " A" and resid 163 and name HA ))
( segid " A" and resid 149 and name HG2#)
3.114 1.394 1.557 peak 2840 weight 1.00000E+00 volume 1.00440E+06 ppm1 4.281 ppm2 0.831
ASSI { 2841}
(( segid " A" and resid 163 and name HA ))
(( segid " A" and resid 163 and name HB2 ))
3.784 1.892 1.892 peak 2841 weight 1.00000E+00 volume 3.36580E+04 ppm1 4.280 ppm2 2.007
ASSI { 2842}
(( segid " A" and resid 163 and name HA ))
(( segid " A" and resid 149 and name HA ))
2.936 1.216 1.468 peak 2842 weight 1.00000E+00 volume 1.42946E+06 ppm1 4.283 ppm2 4.776
ASSI { 2843}
(( segid " A" and resid 150 and name HN ))
(( segid " A" and resid 163 and name HA ))
4.235 2.118 2.118 peak 2843 weight 1.00000E+00 volume 1.58642E+05 ppm1 4.279 ppm2 9.085
ASSI { 2844}
(( segid " A" and resid 164 and name HN ))
(( segid " A" and resid 163 and name HB2 ))
4.632 2.316 2.316 peak 2844 weight 1.00000E+00 volume -9.27014E+04 ppm1 2.005 ppm2 7.794
ASSI { 2845}
(( segid " A" and resid 165 and name HN ))
(( segid " A" and resid 163 and name HB2 ))
4.693 2.347 2.347 peak 2845 weight 1.00000E+00 volume 1.13208E+04 ppm1 2.029 ppm2 6.440
ASSI { 2846}
(( segid " A" and resid 163 and name HA ))
(( segid " A" and resid 163 and name HB2 ))
2.894 1.174 1.447 peak 2846 weight 1.00000E+00 volume 4.91821E+04 ppm1 2.002 ppm2 4.286
ASSI { 2847}
(( segid " A" and resid 166 and name HA ))
(( segid " A" and resid 163 and name HB2 ))
4.779 2.390 2.390 peak 2847 weight 1.00000E+00 volume 1.45164E+04 ppm1 2.001 ppm2 3.815
ASSI { 2848}
(( segid " A" and resid 164 and name HA ))
(( segid " A" and resid 164 and name HB2 ))
3.548 1.774 1.774 peak 2848 weight 1.00000E+00 volume 2.49485E+04 ppm1 3.512 ppm2 1.643
ASSI { 2849}
(( segid " A" and resid 164 and name HA ))
(( segid " A" and resid 150 and name HB2 ))
3.690 1.845 1.845 peak 2849 weight 1.00000E+00 volume 1.74640E+04 ppm1 3.522 ppm2 1.693
ASSI { 2850}
(( segid " A" and resid 165 and name HN ))
(( segid " A" and resid 164 and name HA ))
4.527 2.263 2.263 peak 2850 weight 1.00000E+00 volume 8.54025E+03 ppm1 3.510 ppm2 6.451
ASSI { 2851}
(( segid " A" and resid 166 and name HN ))
(( segid " A" and resid 164 and name HA ))
6.771 3.385 1.229 peak 2851 weight 1.00000E+00 volume 6.54938E+03 ppm1 3.522 ppm2 6.711
ASSI { 2852}
(( segid " A" and resid 164 and name HA ))
(( segid " A" and resid 164 and name HN ))
3.816 1.908 1.908 peak 2852 weight 1.00000E+00 volume 2.96557E+05 ppm1 3.516 ppm2 7.789
ASSI { 2853}
(( segid " A" and resid 164 and name HN ))
(( segid " A" and resid 164 and name HB2 ))
3.545 1.773 1.773 peak 2853 weight 1.00000E+00 volume 4.61006E+05 ppm1 1.673 ppm2 7.800
ASSI { 2854}
(( segid " A" and resid 165 and name HN ))
(( segid " A" and resid 164 and name HB2 ))
4.651 2.325 2.325 peak 2854 weight 1.00000E+00 volume 9.04625E+04 ppm1 1.687 ppm2 6.449
ASSI { 2855}
(( segid " A" and resid 164 and name HA ))
(( segid " A" and resid 164 and name HB2 ))
4.614 2.307 2.307 peak 2855 weight 1.00000E+00 volume 6.35250E+03 ppm1 1.653 ppm2 3.536
ASSI { 2856}
(( segid " A" and resid 164 and name HB2 ))
(( segid " A" and resid 165 and name HB2 ))
3.953 1.977 1.977 peak 2856 weight 1.00000E+00 volume 1.22316E+04 ppm1 1.688 ppm2 3.467
ASSI { 2857}
(( segid " A" and resid 164 and name HB2 ))
( segid " A" and resid 164 and name HD2#)
2.934 1.214 1.467 peak 2857 weight 1.00000E+00 volume 5.59440E+04 ppm1 1.663 ppm2 0.833
ASSI { 2858}
(( segid " A" and resid 164 and name HB2 ))
( segid " A" and resid 164 and name HD1#)
3.052 1.332 1.526 peak 2858 weight 1.00000E+00 volume 4.02788E+04 ppm1 1.661 ppm2 0.636
ASSI { 2859}
( segid " A" and resid 164 and name HD1#)
(( segid " A" and resid 150 and name HB2 ))
2.745 1.025 1.372 peak 2859 weight 1.00000E+00 volume 1.41958E+05 ppm1 0.630 ppm2 1.693
ASSI { 2860}
( segid " A" and resid 164 and name HD1#)
(( segid " A" and resid 150 and name HA ))
3.058 1.338 1.529 peak 2860 weight 1.00000E+00 volume 1.12049E+06 ppm1 0.630 ppm2 4.730
ASSI { 2861}
( segid " A" and resid 164 and name HD1#)
(( segid " A" and resid 149 and name HA ))
3.213 1.493 1.607 peak 2861 weight 1.00000E+00 volume 8.31402E+05 ppm1 0.628 ppm2 4.780
ASSI { 2862}
(( segid " A" and resid 164 and name HN ))
( segid " A" and resid 164 and name HD1#)
3.990 1.995 1.995 peak 2862 weight 1.00000E+00 volume -2.27051E+05 ppm1 0.630 ppm2 7.792
ASSI { 2863}
(( segid " A" and resid 150 and name HN ))
( segid " A" and resid 164 and name HD1#)
3.602 1.801 1.801 peak 2863 weight 1.00000E+00 volume 4.19416E+05 ppm1 0.627 ppm2 9.082
ASSI { 2865}
(( segid " A" and resid 164 and name HN ))
( segid " A" and resid 164 and name HD2#)
3.528 1.764 1.764 peak 2865 weight 1.00000E+00 volume 4.75175E+05 ppm1 0.844 ppm2 7.802
ASSI { 2868}
(( segid " A" and resid 164 and name HA ))
( segid " A" and resid 164 and name HD2#)
3.892 1.946 1.946 peak 2868 weight 1.00000E+00 volume 2.63327E+05 ppm1 0.823 ppm2 3.528
ASSI { 2870}
(( segid " A" and resid 164 and name HB2 ))
( segid " A" and resid 164 and name HD2#)
2.351 0.631 1.175 peak 2870 weight 1.00000E+00 volume 1.33974E+05 ppm1 0.842 ppm2 1.652
ASSI { 2872}
( segid " A" and resid 166 and name HG1#)
(( segid " A" and resid 165 and name HA ))
4.122 2.061 2.061 peak 2872 weight 1.00000E+00 volume 1.86761E+05 ppm1 4.488 ppm2 0.662
ASSI { 2873}
(( segid " A" and resid 165 and name HA ))
(( segid " A" and resid 165 and name HB2 ))
3.541 1.771 1.771 peak 2873 weight 1.00000E+00 volume 4.64039E+05 ppm1 4.494 ppm2 3.470
ASSI { 2875}
(( segid " A" and resid 166 and name HN ))
(( segid " A" and resid 165 and name HA ))
3.604 1.802 1.802 peak 2875 weight 1.00000E+00 volume 1.97616E+04 ppm1 4.493 ppm2 6.726
ASSI { 2876}
(( segid " A" and resid 165 and name HA ))
( segid " A" and resid 165 and name HD# )
3.816 1.908 1.908 peak 2876 weight 1.00000E+00 volume 1.05134E+04 ppm1 4.495 ppm2 7.103
ASSI { 2877}
(( segid " A" and resid 165 and name HN ))
(( segid " A" and resid 165 and name HB2 ))
5.132 2.566 2.566 peak 2877 weight 1.00000E+00 volume 7.12100E+03 ppm1 3.475 ppm2 6.446
ASSI { 2878}
(( segid " A" and resid 164 and name HB2 ))
(( segid " A" and resid 165 and name HB2 ))
4.396 2.198 2.198 peak 2878 weight 1.00000E+00 volume 7.25475E+03 ppm1 3.450 ppm2 1.651
ASSI { 2879}
(( segid " A" and resid 166 and name HA ))
(( segid " A" and resid 166 and name HB ))
3.861 1.930 1.930 peak 2879 weight 1.00000E+00 volume 1.20101E+04 ppm1 3.813 ppm2 1.719
ASSI { 2880}
(( segid " A" and resid 166 and name HA ))
(( segid " A" and resid 163 and name HB2 ))
6.414 3.207 1.586 peak 2880 weight 1.00000E+00 volume 5.91900E+03 ppm1 3.815 ppm2 2.025
ASSI { 2881}
(( segid " A" and resid 166 and name HN ))
(( segid " A" and resid 166 and name HA ))
3.644 1.822 1.822 peak 2881 weight 1.00000E+00 volume 1.46878E+04 ppm1 3.815 ppm2 6.728
ASSI { 2882}
(( segid " A" and resid 166 and name HN ))
(( segid " A" and resid 166 and name HB ))
3.727 1.863 1.863 peak 2882 weight 1.00000E+00 volume 3.41713E+05 ppm1 1.718 ppm2 6.730
ASSI { 2884}
(( segid " A" and resid 166 and name HB ))
( segid " A" and resid 162 and name HG1#)
3.154 1.434 1.577 peak 2884 weight 1.00000E+00 volume 5.35899E+04 ppm1 1.715 ppm2 0.545
ASSI { 2885}
( segid " A" and resid 166 and name HG1#)
(( segid " A" and resid 133 and name HB ))
2.752 1.032 1.376 peak 2885 weight 1.00000E+00 volume -1.83236E+04 ppm1 0.680 ppm2 1.900
ASSI { 2887}
(( segid " A" and resid 166 and name HA ))
( segid " A" and resid 166 and name HG1#)
2.603 0.883 1.301 peak 2887 weight 1.00000E+00 volume 6.61306E+04 ppm1 0.681 ppm2 3.817
ASSI { 2889}
(( segid " A" and resid 167 and name HA ))
( segid " A" and resid 166 and name HG1#)
3.091 1.371 1.545 peak 2889 weight 1.00000E+00 volume 8.98512E+03 ppm1 0.680 ppm2 5.048
ASSI { 2890}
(( segid " A" and resid 166 and name HN ))
( segid " A" and resid 166 and name HG1#)
2.656 0.936 1.328 peak 2890 weight 1.00000E+00 volume 2.60833E+06 ppm1 0.682 ppm2 6.729
ASSI { 2892}
(( segid " A" and resid 167 and name HN ))
( segid " A" and resid 166 and name HG1#)
2.659 0.939 1.330 peak 2892 weight 1.00000E+00 volume 2.58900E+06 ppm1 0.683 ppm2 9.124
ASSI { 2893}
(( segid " A" and resid 167 and name HA ))
(( segid " A" and resid 167 and name HB1 ))
3.306 1.586 1.653 peak 2893 weight 1.00000E+00 volume 7.01606E+05 ppm1 5.051 ppm2 2.609
ASSI { 2894}
(( segid " A" and resid 168 and name HG2 ))
(( segid " A" and resid 167 and name HA ))
4.119 2.060 2.060 peak 2894 weight 1.00000E+00 volume 1.87410E+05 ppm1 5.040 ppm2 2.289
ASSI { 2895}
(( segid " A" and resid 167 and name HA ))
( segid " A" and resid 166 and name HG1#)
3.997 1.999 1.999 peak 2895 weight 1.00000E+00 volume 2.24436E+05 ppm1 5.046 ppm2 0.688
ASSI { 2896}
(( segid " A" and resid 167 and name HB1 ))
( segid " A" and resid 166 and name HG1#)
4.026 2.013 2.013 peak 2896 weight 1.00000E+00 volume 2.15150E+05 ppm1 2.607 ppm2 0.681
ASSI { 2897}
(( segid " A" and resid 167 and name HB2 ))
( segid " A" and resid 166 and name HG1#)
3.486 1.743 1.743 peak 2897 weight 1.00000E+00 volume 5.10562E+05 ppm1 2.686 ppm2 0.679
ASSI { 2898}
(( segid " A" and resid 167 and name HB1 ))
(( segid " A" and resid 167 and name HN ))
3.683 1.842 1.842 peak 2898 weight 1.00000E+00 volume 3.66701E+05 ppm1 2.606 ppm2 9.128
ASSI { 2899}
(( segid " A" and resid 167 and name HB2 ))
(( segid " A" and resid 167 and name HN ))
3.668 1.834 1.834 peak 2899 weight 1.00000E+00 volume 3.76057E+05 ppm1 2.687 ppm2 9.123
ASSI { 2900}
(( segid " A" and resid 169 and name HN ))
(( segid " A" and resid 168 and name HB2 ))
3.684 1.842 1.842 peak 2900 weight 1.00000E+00 volume 1.99962E+04 ppm1 1.872 ppm2 8.790
ASSI { 2901}
(( segid " A" and resid 168 and name HN ))
(( segid " A" and resid 168 and name HB2 ))
3.684 1.842 1.842 peak 2901 weight 1.00000E+00 volume 1.99962E+04 ppm1 1.872 ppm2 8.785
ASSI { 2902}
(( segid " A" and resid 168 and name HG2 ))
( segid " A" and resid 166 and name HG1#)
3.761 1.880 1.880 peak 2902 weight 1.00000E+00 volume 2.38701E+04 ppm1 2.288 ppm2 0.682
ASSI { 2903}
(( segid " A" and resid 168 and name HG2 ))
(( segid " A" and resid 167 and name HA ))
4.824 2.412 2.412 peak 2903 weight 1.00000E+00 volume 8.52225E+03 ppm1 2.275 ppm2 5.052
ASSI { 2904}
(( segid " A" and resid 168 and name HG2 ))
(( segid " A" and resid 168 and name HN ))
3.255 1.535 1.627 peak 2904 weight 1.00000E+00 volume 6.95178E+04 ppm1 2.284 ppm2 8.788
ASSI { 2905}
(( segid " A" and resid 170 and name HN ))
(( segid " A" and resid 169 and name HA2 ))
4.195 2.097 2.097 peak 2905 weight 1.00000E+00 volume 5.66625E+03 ppm1 4.392 ppm2 7.854
ASSI { 2906}
(( segid " A" and resid 170 and name HN ))
(( segid " A" and resid 169 and name HA1 ))
4.916 2.458 2.458 peak 2906 weight 1.00000E+00 volume 4.34888E+03 ppm1 3.496 ppm2 7.851
ASSI { 2907}
(( segid " A" and resid 133 and name HN ))
(( segid " A" and resid 171 and name HA ))
3.865 1.933 1.933 peak 2907 weight 1.00000E+00 volume 1.31904E+04 ppm1 4.325 ppm2 9.199
ASSI { 2908}
(( segid " A" and resid 171 and name HA ))
(( segid " A" and resid 171 and name HN ))
5.641 2.820 2.359 peak 2908 weight 1.00000E+00 volume -9.49212E+03 ppm1 4.301 ppm2 8.653
ASSI { 2909}
(( segid " A" and resid 171 and name HA ))
(( segid " A" and resid 132 and name HA ))
2.968 1.248 1.484 peak 2909 weight 1.00000E+00 volume 1.33885E+06 ppm1 4.299 ppm2 4.789
ASSI { 2910}
(( segid " A" and resid 171 and name HA ))
(( segid " A" and resid 171 and name HB ))
4.160 2.080 2.080 peak 2910 weight 1.00000E+00 volume -1.76729E+05 ppm1 4.302 ppm2 1.888
ASSI { 2911}
(( segid " A" and resid 171 and name HA ))
( segid " A" and resid 132 and name HG2#)
4.213 2.106 2.106 peak 2911 weight 1.00000E+00 volume -1.63826E+05 ppm1 4.299 ppm2 1.080
ASSI { 2913}
(( segid " A" and resid 171 and name HA ))
( segid " A" and resid 133 and name HG2#)
3.451 1.726 1.726 peak 2913 weight 1.00000E+00 volume 5.41909E+05 ppm1 4.299 ppm2 0.781
ASSI { 2914}
(( segid " A" and resid 174 and name HN ))
(( segid " A" and resid 173 and name HA ))
3.927 1.964 1.964 peak 2914 weight 1.00000E+00 volume 1.36919E+04 ppm1 4.664 ppm2 8.978
ASSI { 2915}
(( segid " A" and resid 131 and name HN ))
(( segid " A" and resid 173 and name HA ))
3.512 1.756 1.756 peak 2915 weight 1.00000E+00 volume 2.75884E+04 ppm1 4.664 ppm2 8.949
ASSI { 2916}
(( segid " A" and resid 173 and name HN ))
(( segid " A" and resid 173 and name HA ))
3.609 1.805 1.805 peak 2916 weight 1.00000E+00 volume 2.23482E+04 ppm1 4.664 ppm2 8.795
ASSI { 2917}
(( segid " A" and resid 130 and name HA ))
(( segid " A" and resid 173 and name HA ))
4.135 2.068 2.068 peak 2917 weight 1.00000E+00 volume 1.19112E+03 ppm1 4.665 ppm2 5.473
ASSI { 2918}
(( segid " A" and resid 130 and name HB2 ))
(( segid " A" and resid 173 and name HA ))
3.530 1.765 1.765 peak 2918 weight 1.00000E+00 volume 1.51746E+04 ppm1 4.649 ppm2 2.025
ASSI { 2920}
(( segid " A" and resid 130 and name HB1 ))
(( segid " A" and resid 173 and name HA ))
4.044 2.022 2.022 peak 2920 weight 1.00000E+00 volume 4.27125E+03 ppm1 4.656 ppm2 1.882
ASSI { 2921}
( segid " A" and resid 182 and name HD1#)
(( segid " A" and resid 173 and name HB ))
3.582 1.791 1.791 peak 2921 weight 1.00000E+00 volume 4.33620E+05 ppm1 1.900 ppm2 1.000
ASSI { 2922}
(( segid " A" and resid 182 and name HN ))
(( segid " A" and resid 173 and name HB ))
4.260 2.130 2.130 peak 2922 weight 1.00000E+00 volume 1.53090E+05 ppm1 1.896 ppm2 8.480
ASSI { 2923}
(( segid " A" and resid 173 and name HN ))
(( segid " A" and resid 173 and name HB ))
4.067 2.033 2.033 peak 2923 weight 1.00000E+00 volume 2.02424E+05 ppm1 1.912 ppm2 8.790
ASSI { 2924}
(( segid " A" and resid 174 and name HN ))
(( segid " A" and resid 174 and name HA ))
3.740 1.870 1.870 peak 2924 weight 1.00000E+00 volume 3.34524E+05 ppm1 4.610 ppm2 8.981
ASSI { 2925}
(( segid " A" and resid 175 and name HN ))
(( segid " A" and resid 174 and name HA ))
3.647 1.824 1.824 peak 2925 weight 1.00000E+00 volume 3.88774E+05 ppm1 4.608 ppm2 8.880
ASSI { 2926}
(( segid " A" and resid 181 and name HB2 ))
(( segid " A" and resid 174 and name HA ))
6.392 3.196 1.608 peak 2926 weight 1.00000E+00 volume -2.00710E+04 ppm1 4.599 ppm2 3.096
ASSI { 2927}
(( segid " A" and resid 181 and name HB1 ))
(( segid " A" and resid 174 and name HA ))
4.714 2.357 2.357 peak 2927 weight 1.00000E+00 volume -9.67250E+02 ppm1 4.605 ppm2 2.988
ASSI { 2928}
(( segid " A" and resid 174 and name HB ))
(( segid " A" and resid 174 and name HA ))
3.952 1.976 1.976 peak 2928 weight 1.00000E+00 volume 9.63312E+03 ppm1 4.605 ppm2 1.535
ASSI { 2929}
( segid " A" and resid 182 and name HD1#)
(( segid " A" and resid 174 and name HA ))
3.601 1.801 1.801 peak 2929 weight 1.00000E+00 volume 1.38744E+04 ppm1 4.605 ppm2 1.003
ASSI { 2930}
( segid " A" and resid 174 and name HG2#)
(( segid " A" and resid 174 and name HA ))
3.265 1.545 1.632 peak 2930 weight 1.00000E+00 volume 2.46204E+04 ppm1 4.605 ppm2 0.714
ASSI { 2931}
(( segid " A" and resid 174 and name HB ))
( segid " A" and resid 131 and name HD1#)
2.704 0.984 1.352 peak 2931 weight 1.00000E+00 volume 1.17666E+05 ppm1 1.535 ppm2 0.803
ASSI { 2933}
(( segid " A" and resid 174 and name HB ))
(( segid " A" and resid 174 and name HA ))
3.459 1.729 1.729 peak 2933 weight 1.00000E+00 volume 5.34535E+05 ppm1 1.537 ppm2 4.606
ASSI { 2934}
(( segid " A" and resid 129 and name HN ))
(( segid " A" and resid 174 and name HB ))
3.984 1.992 1.992 peak 2934 weight 1.00000E+00 volume 2.28831E+05 ppm1 1.534 ppm2 8.527
ASSI { 2935}
(( segid " A" and resid 174 and name HN ))
(( segid " A" and resid 174 and name HB ))
3.622 1.811 1.811 peak 2935 weight 1.00000E+00 volume 4.05420E+05 ppm1 1.537 ppm2 8.983
ASSI { 2937}
(( segid " A" and resid 129 and name HN ))
(( segid " A" and resid 175 and name HA ))
3.865 1.932 1.932 peak 2937 weight 1.00000E+00 volume 2.74661E+05 ppm1 4.806 ppm2 8.529
ASSI { 2938}
(( segid " A" and resid 128 and name HA ))
(( segid " A" and resid 175 and name HA ))
3.889 1.944 1.944 peak 2938 weight 1.00000E+00 volume 1.69341E+04 ppm1 4.812 ppm2 5.424
ASSI { 2939}
(( segid " A" and resid 175 and name HA ))
(( segid " A" and resid 175 and name HB1 ))
3.528 1.764 1.764 peak 2939 weight 1.00000E+00 volume 6.07088E+03 ppm1 4.775 ppm2 2.713
ASSI { 2940}
( segid " A" and resid 182 and name HD1#)
(( segid " A" and resid 175 and name HA ))
4.500 2.250 2.250 peak 2940 weight 1.00000E+00 volume 2.41108E+04 ppm1 4.810 ppm2 1.008
ASSI { 2941}
( segid " A" and resid 128 and name HG2#)
(( segid " A" and resid 175 and name HA ))
3.526 1.763 1.763 peak 2941 weight 1.00000E+00 volume 4.76110E+05 ppm1 4.807 ppm2 0.969
ASSI { 2942}
( segid " A" and resid 174 and name HG2#)
(( segid " A" and resid 175 and name HA ))
2.927 1.207 1.464 peak 2942 weight 1.00000E+00 volume 1.45491E+06 ppm1 4.810 ppm2 0.715
ASSI { 2943}
( segid " A" and resid 182 and name HD1#)
(( segid " A" and resid 175 and name HB1 ))
4.692 2.346 2.346 peak 2943 weight 1.00000E+00 volume -8.57758E+04 ppm1 2.729 ppm2 1.005
ASSI { 2946}
(( segid " A" and resid 175 and name HA ))
(( segid " A" and resid 175 and name HB1 ))
4.125 2.062 2.062 peak 2946 weight 1.00000E+00 volume 1.85923E+05 ppm1 2.720 ppm2 4.804
ASSI { 2947}
(( segid " A" and resid 180 and name HN ))
(( segid " A" and resid 175 and name HB2 ))
5.171 2.585 2.585 peak 2947 weight 1.00000E+00 volume -4.78934E+04 ppm1 3.158 ppm2 8.102
ASSI { 2948}
(( segid " A" and resid 180 and name HN ))
(( segid " A" and resid 175 and name HB1 ))
4.702 2.351 2.351 peak 2948 weight 1.00000E+00 volume 8.47550E+04 ppm1 2.721 ppm2 8.098
ASSI { 2950}
(( segid " A" and resid 175 and name HN ))
(( segid " A" and resid 175 and name HB1 ))
4.099 2.050 2.050 peak 2950 weight 1.00000E+00 volume 1.92968E+05 ppm1 2.723 ppm2 8.879
ASSI { 2952}
(( segid " A" and resid 176 and name HN ))
(( segid " A" and resid 176 and name HA ))
3.799 1.900 1.900 peak 2952 weight 1.00000E+00 volume 3.04530E+05 ppm1 2.875 ppm2 8.275
ASSI { 2953}
(( segid " A" and resid 179 and name HN ))
(( segid " A" and resid 176 and name HA ))
4.143 2.072 2.072 peak 2953 weight 1.00000E+00 volume 1.33965E+04 ppm1 2.892 ppm2 8.139
ASSI { 2954}
(( segid " A" and resid 178 and name HN ))
(( segid " A" and resid 176 and name HA ))
4.358 2.179 2.179 peak 2954 weight 1.00000E+00 volume 1.33729E+05 ppm1 2.865 ppm2 7.079
ASSI { 2955}
(( segid " A" and resid 179 and name HA1 ))
(( segid " A" and resid 176 and name HA ))
4.106 2.053 2.053 peak 2955 weight 1.00000E+00 volume 8.67125E+03 ppm1 2.888 ppm2 3.913
ASSI { 2956}
( segid " A" and resid 174 and name HG2#)
(( segid " A" and resid 176 and name HA ))
3.032 1.312 1.516 peak 2956 weight 1.00000E+00 volume 4.23172E+04 ppm1 2.877 ppm2 0.702
ASSI { 2957}
(( segid " A" and resid 176 and name HN ))
(( segid " A" and resid 176 and name HB ))
4.029 2.014 2.014 peak 2957 weight 1.00000E+00 volume 1.20289E+04 ppm1 3.753 ppm2 8.290
ASSI { 2962}
(( segid " A" and resid 178 and name HB1 ))
(( segid " A" and resid 178 and name HA ))
4.095 2.047 2.047 peak 2962 weight 1.00000E+00 volume 1.93614E+04 ppm1 4.741 ppm2 3.066
ASSI { 2963}
(( segid " A" and resid 178 and name HN ))
(( segid " A" and resid 178 and name HA ))
3.423 1.703 1.711 peak 2963 weight 1.00000E+00 volume 2.96688E+04 ppm1 4.743 ppm2 7.079
ASSI { 2964}
(( segid " A" and resid 179 and name HN ))
(( segid " A" and resid 178 and name HA ))
4.120 2.060 2.060 peak 2964 weight 1.00000E+00 volume 7.87100E+03 ppm1 4.738 ppm2 8.157
ASSI { 2965}
(( segid " A" and resid 179 and name HN ))
(( segid " A" and resid 178 and name HB1 ))
4.619 2.309 2.309 peak 2965 weight 1.00000E+00 volume -9.42948E+04 ppm1 3.077 ppm2 8.157
ASSI { 2966}
(( segid " A" and resid 178 and name HB2 ))
(( segid " A" and resid 178 and name HN ))
3.428 1.708 1.714 peak 2966 weight 1.00000E+00 volume 5.63768E+05 ppm1 2.413 ppm2 7.069
ASSI { 2967}
(( segid " A" and resid 178 and name HB1 ))
(( segid " A" and resid 178 and name HN ))
3.153 1.433 1.577 peak 2967 weight 1.00000E+00 volume 5.41855E+04 ppm1 3.063 ppm2 7.077
ASSI { 2968}
(( segid " A" and resid 178 and name HB1 ))
(( segid " A" and resid 178 and name HA ))
2.594 0.874 1.297 peak 2968 weight 1.00000E+00 volume 1.10156E+05 ppm1 3.067 ppm2 4.736
ASSI { 2969}
(( segid " A" and resid 178 and name HB2 ))
(( segid " A" and resid 178 and name HA ))
2.844 1.124 1.422 peak 2969 weight 1.00000E+00 volume 1.72834E+06 ppm1 2.435 ppm2 4.734
ASSI { 2970}
(( segid " A" and resid 178 and name HB2 ))
(( segid " A" and resid 175 and name HB2 ))
4.663 2.332 2.332 peak 2970 weight 1.00000E+00 volume 8.90041E+04 ppm1 2.446 ppm2 3.160
ASSI { 2971}
(( segid " A" and resid 178 and name HB2 ))
(( segid " A" and resid 178 and name HB1 ))
3.385 1.665 1.692 peak 2971 weight 1.00000E+00 volume 6.08591E+05 ppm1 2.446 ppm2 3.068
ASSI { 2972}
(( segid " A" and resid 179 and name HA1 ))
( segid " A" and resid 174 and name HG2#)
3.497 1.748 1.748 peak 2972 weight 1.00000E+00 volume 2.71989E+04 ppm1 3.929 ppm2 0.705
ASSI { 2973}
(( segid " A" and resid 179 and name HA1 ))
(( segid " A" and resid 176 and name HA ))
7.370 3.685 0.630 peak 2973 weight 1.00000E+00 volume 6.10075E+03 ppm1 3.931 ppm2 2.843
ASSI { 2974}
(( segid " A" and resid 179 and name HA2 ))
(( segid " A" and resid 179 and name HA1 ))
3.112 1.392 1.556 peak 2974 weight 1.00000E+00 volume 3.17934E+04 ppm1 3.916 ppm2 4.355
ASSI { 2975}
(( segid " A" and resid 180 and name HN ))
(( segid " A" and resid 179 and name HA1 ))
3.883 1.941 1.941 peak 2975 weight 1.00000E+00 volume 1.23316E+04 ppm1 3.924 ppm2 8.101
ASSI { 2976}
(( segid " A" and resid 179 and name HN ))
(( segid " A" and resid 179 and name HA1 ))
3.610 1.805 1.805 peak 2976 weight 1.00000E+00 volume 4.13331E+05 ppm1 3.920 ppm2 8.154
ASSI { 2977}
(( segid " A" and resid 181 and name HN ))
(( segid " A" and resid 180 and name HA ))
3.068 1.348 1.534 peak 2977 weight 1.00000E+00 volume 1.09863E+06 ppm1 4.591 ppm2 8.625
ASSI { 2978}
(( segid " A" and resid 180 and name HB2 ))
(( segid " A" and resid 180 and name HA ))
3.016 1.296 1.508 peak 2978 weight 1.00000E+00 volume 1.21683E+06 ppm1 3.841 ppm2 4.600
ASSI { 2979}
(( segid " A" and resid 180 and name HN ))
(( segid " A" and resid 180 and name HB2 ))
3.894 1.947 1.947 peak 2979 weight 1.00000E+00 volume 2.62420E+05 ppm1 3.840 ppm2 8.100
ASSI { 2980}
(( segid " A" and resid 180 and name HB2 ))
(( segid " A" and resid 181 and name HN ))
4.018 2.009 2.009 peak 2980 weight 1.00000E+00 volume 2.17505E+05 ppm1 3.839 ppm2 8.620
ASSI { 2981}
(( segid " A" and resid 175 and name HN ))
(( segid " A" and resid 181 and name HA ))
3.850 1.925 1.925 peak 2981 weight 1.00000E+00 volume 2.81102E+05 ppm1 4.623 ppm2 8.880
ASSI { 2982}
(( segid " A" and resid 181 and name HN ))
(( segid " A" and resid 181 and name HA ))
3.475 1.737 1.737 peak 2982 weight 1.00000E+00 volume 4.37875E+04 ppm1 4.622 ppm2 8.622
ASSI { 2983}
( segid " A" and resid 174 and name HG2#)
(( segid " A" and resid 181 and name HA ))
3.240 1.520 1.620 peak 2983 weight 1.00000E+00 volume 5.57624E+04 ppm1 4.625 ppm2 0.716
ASSI { 2984}
( segid " A" and resid 182 and name HD1#)
(( segid " A" and resid 181 and name HA ))
3.654 1.827 1.827 peak 2984 weight 1.00000E+00 volume 3.84607E+05 ppm1 4.622 ppm2 1.003
ASSI { 2985}
(( segid " A" and resid 181 and name HB1 ))
( segid " A" and resid 162 and name HG1#)
8.000 4.000 0.000 peak 2985 weight 1.00000E+00 volume 1.65700E+03 ppm1 2.988 ppm2 0.547
ASSI { 2986}
( segid " A" and resid 174 and name HG2#)
(( segid " A" and resid 181 and name HB1 ))
3.749 1.875 1.875 peak 2986 weight 1.00000E+00 volume 3.29572E+05 ppm1 2.985 ppm2 0.713
ASSI { 2988}
(( segid " A" and resid 181 and name HB1 ))
(( segid " A" and resid 174 and name HA ))
4.230 2.115 2.115 peak 2988 weight 1.00000E+00 volume 1.59788E+05 ppm1 2.986 ppm2 4.608
ASSI { 2989}
(( segid " A" and resid 181 and name HA ))
(( segid " A" and resid 181 and name HB1 ))
4.008 2.004 2.004 peak 2989 weight 1.00000E+00 volume 2.20718E+05 ppm1 2.983 ppm2 4.628
ASSI { 2990}
(( segid " A" and resid 181 and name HB1 ))
(( segid " A" and resid 183 and name HN ))
3.958 1.979 1.979 peak 2990 weight 1.00000E+00 volume 2.37997E+05 ppm1 2.980 ppm2 7.824
ASSI { 2991}
(( segid " A" and resid 182 and name HN ))
(( segid " A" and resid 181 and name HB1 ))
4.297 2.149 2.149 peak 2991 weight 1.00000E+00 volume 1.73991E+04 ppm1 2.983 ppm2 8.465
ASSI { 2992}
(( segid " A" and resid 181 and name HN ))
(( segid " A" and resid 181 and name HB1 ))
3.981 1.991 1.991 peak 2992 weight 1.00000E+00 volume 1.61881E+04 ppm1 2.984 ppm2 8.630
ASSI { 2993}
(( segid " A" and resid 181 and name HN ))
(( segid " A" and resid 181 and name HB2 ))
3.647 1.824 1.824 peak 2993 weight 1.00000E+00 volume 2.24131E+04 ppm1 3.104 ppm2 8.625
ASSI { 2994}
(( segid " A" and resid 182 and name HN ))
(( segid " A" and resid 181 and name HB2 ))
4.301 2.151 2.151 peak 2994 weight 1.00000E+00 volume 6.61825E+03 ppm1 3.095 ppm2 8.470
ASSI { 2995}
(( segid " A" and resid 181 and name HB2 ))
(( segid " A" and resid 183 and name HN ))
4.046 2.023 2.023 peak 2995 weight 1.00000E+00 volume 7.44738E+03 ppm1 3.098 ppm2 7.833
ASSI { 2996}
(( segid " A" and resid 181 and name HA ))
(( segid " A" and resid 181 and name HB2 ))
3.405 1.685 1.702 peak 2996 weight 1.00000E+00 volume 5.87497E+05 ppm1 3.095 ppm2 4.627
ASSI { 2998}
(( segid " A" and resid 181 and name HB2 ))
(( segid " A" and resid 162 and name HA ))
3.530 1.765 1.765 peak 2998 weight 1.00000E+00 volume 1.25415E+04 ppm1 3.094 ppm2 4.440
ASSI { 3000}
(( segid " A" and resid 181 and name HB2 ))
( segid " A" and resid 162 and name HG1#)
5.706 2.853 2.294 peak 3000 weight 1.00000E+00 volume 9.22000E+03 ppm1 3.093 ppm2 0.548
ASSI { 3001}
(( segid " A" and resid 182 and name HN ))
(( segid " A" and resid 182 and name HA ))
3.833 1.917 1.917 peak 3001 weight 1.00000E+00 volume 2.08362E+04 ppm1 4.002 ppm2 8.466
ASSI { 3002}
(( segid " A" and resid 182 and name HN ))
(( segid " A" and resid 182 and name HB ))
3.293 1.573 1.646 peak 3002 weight 1.00000E+00 volume 5.51830E+04 ppm1 1.798 ppm2 8.469
ASSI { 3003}
(( segid " A" and resid 182 and name HA ))
(( segid " A" and resid 182 and name HB ))
4.582 2.291 2.291 peak 3003 weight 1.00000E+00 volume 1.21722E+04 ppm1 1.793 ppm2 3.996
ASSI { 3004}
( segid " A" and resid 182 and name HD1#)
(( segid " A" and resid 182 and name HB ))
3.729 1.865 1.865 peak 3004 weight 1.00000E+00 volume 9.31512E+03 ppm1 1.788 ppm2 1.010
ASSI { 3005}
(( segid " A" and resid 175 and name HN ))
( segid " A" and resid 182 and name HD1#)
3.272 1.552 1.636 peak 3005 weight 1.00000E+00 volume 5.91569E+04 ppm1 1.000 ppm2 8.882
# Restraints file 3: 15Nnoesy.tbl
ASSI { 3}
(( segid " A" and resid 10 and name HN ))
(( segid " A" and resid 10 and name HA2 ))
3.266 1.546 1.633 peak 3 weight 1.00000E+00 volume -3.98535E+04 ppm1 9.195 ppm2 4.438
ASSI { 4}
(( segid " A" and resid 10 and name HN ))
(( segid " A" and resid 10 and name HA1 ))
3.057 1.337 1.529 peak 4 weight 1.00000E+00 volume -6.34218E+04 ppm1 9.195 ppm2 3.810
ASSI { 5}
(( segid " A" and resid 118 and name HN ))
(( segid " A" and resid 118 and name HA2 ))
3.575 1.787 1.787 peak 5 weight 1.00000E+00 volume -3.38412E+05 ppm1 8.467 ppm2 4.133
ASSI { 6}
(( segid " A" and resid 118 and name HN ))
(( segid " A" and resid 118 and name HA1 ))
3.469 1.734 1.734 peak 6 weight 1.00000E+00 volume -4.05569E+05 ppm1 8.469 ppm2 3.517
ASSI { 7}
(( segid " A" and resid 157 and name HN ))
(( segid " A" and resid 157 and name HA2 ))
2.639 0.919 1.319 peak 7 weight 1.00000E+00 volume -2.09117E+06 ppm1 8.895 ppm2 4.483
ASSI { 8}
(( segid " A" and resid 157 and name HN ))
(( segid " A" and resid 157 and name HA1 ))
2.889 1.169 1.444 peak 8 weight 1.00000E+00 volume -1.21487E+06 ppm1 8.901 ppm2 3.490
ASSI { 12}
(( segid " A" and resid 180 and name HN ))
(( segid " A" and resid 179 and name HA2 ))
3.568 1.784 1.784 peak 12 weight 1.00000E+00 volume -3.42449E+05 ppm1 8.106 ppm2 4.355
ASSI { 13}
(( segid " A" and resid 180 and name HN ))
(( segid " A" and resid 179 and name HA1 ))
3.077 1.357 1.538 peak 13 weight 1.00000E+00 volume -8.32665E+05 ppm1 8.107 ppm2 3.927
ASSI { 14}
(( segid " A" and resid 179 and name HN ))
(( segid " A" and resid 179 and name HA1 ))
3.119 1.399 1.559 peak 14 weight 1.00000E+00 volume -7.67489E+05 ppm1 8.150 ppm2 3.917
ASSI { 15}
(( segid " A" and resid 179 and name HN ))
(( segid " A" and resid 179 and name HA2 ))
3.211 1.491 1.605 peak 15 weight 1.00000E+00 volume -4.22663E+04 ppm1 8.157 ppm2 4.357
ASSI { 17}
(( segid " A" and resid 175 and name HN ))
(( segid " A" and resid 180 and name HN ))
3.720 1.860 1.860 peak 17 weight 1.00000E+00 volume -1.66264E+04 ppm1 8.102 ppm2 8.890
ASSI { 18}
(( segid " A" and resid 180 and name HN ))
(( segid " A" and resid 180 and name HB2 ))
3.232 1.512 1.616 peak 18 weight 1.00000E+00 volume -3.50027E+04 ppm1 8.103 ppm2 3.842
ASSI { 20}
(( segid " A" and resid 180 and name HN ))
(( segid " A" and resid 178 and name HB2 ))
3.679 1.840 1.840 peak 20 weight 1.00000E+00 volume -2.00555E+04 ppm1 8.104 ppm2 2.486
ASSI { 21}
(( segid " A" and resid 180 and name HN ))
( segid " A" and resid 174 and name HG2#)
3.393 1.673 1.696 peak 21 weight 1.00000E+00 volume -3.26873E+04 ppm1 8.106 ppm2 0.687
ASSI { 22}
(( segid " A" and resid 179 and name HN ))
( segid " A" and resid 174 and name HG2#)
3.717 1.859 1.859 peak 22 weight 1.00000E+00 volume -2.05108E+04 ppm1 8.157 ppm2 0.687
ASSI { 23}
(( segid " A" and resid 179 and name HN ))
(( segid " A" and resid 178 and name HN ))
3.767 1.883 1.883 peak 23 weight 1.00000E+00 volume -2.71461E+04 ppm1 8.158 ppm2 7.091
ASSI { 24}
(( segid " A" and resid 182 and name HN ))
(( segid " A" and resid 175 and name HN ))
4.162 2.081 2.081 peak 24 weight 1.00000E+00 volume -1.35825E+05 ppm1 8.462 ppm2 8.875
ASSI { 25}
(( segid " A" and resid 182 and name HN ))
(( segid " A" and resid 182 and name HA ))
3.645 1.823 1.823 peak 25 weight 1.00000E+00 volume -3.01022E+05 ppm1 8.463 ppm2 4.007
ASSI { 28}
(( segid " A" and resid 182 and name HN ))
( segid " A" and resid 182 and name HD1#)
3.161 1.441 1.581 peak 28 weight 1.00000E+00 volume -4.43036E+04 ppm1 8.466 ppm2 1.005
ASSI { 30}
(( segid " A" and resid 181 and name HN ))
(( segid " A" and resid 181 and name HA ))
3.056 1.336 1.528 peak 30 weight 1.00000E+00 volume -8.66366E+05 ppm1 8.618 ppm2 4.624
ASSI { 31}
(( segid " A" and resid 181 and name HN ))
(( segid " A" and resid 181 and name HB2 ))
3.390 1.670 1.695 peak 31 weight 1.00000E+00 volume -4.65408E+05 ppm1 8.618 ppm2 3.100
ASSI { 32}
(( segid " A" and resid 181 and name HN ))
(( segid " A" and resid 181 and name HB1 ))
3.282 1.562 1.641 peak 32 weight 1.00000E+00 volume -5.64682E+05 ppm1 8.619 ppm2 2.987
ASSI { 33}
(( segid " A" and resid 179 and name HN ))
(( segid " A" and resid 178 and name HN ))
3.801 1.900 1.900 peak 33 weight 1.00000E+00 volume -2.34290E+05 ppm1 7.082 ppm2 8.166
ASSI { 34}
(( segid " A" and resid 176 and name HN ))
(( segid " A" and resid 177 and name HN ))
3.512 1.756 1.756 peak 34 weight 1.00000E+00 volume -3.76084E+05 ppm1 8.835 ppm2 8.280
ASSI { 35}
(( segid " A" and resid 177 and name HN ))
(( segid " A" and resid 177 and name HA2 ))
2.967 1.247 1.483 peak 35 weight 1.00000E+00 volume -1.03569E+06 ppm1 8.840 ppm2 3.734
ASSI { 36}
(( segid " A" and resid 177 and name HN ))
(( segid " A" and resid 177 and name HA1 ))
3.087 1.367 1.544 peak 36 weight 1.00000E+00 volume -8.15812E+05 ppm1 8.835 ppm2 3.922
ASSI { 37}
(( segid " A" and resid 176 and name HN ))
(( segid " A" and resid 175 and name HN ))
3.495 1.747 1.747 peak 37 weight 1.00000E+00 volume -2.59904E+04 ppm1 8.279 ppm2 8.876
ASSI { 39}
(( segid " A" and resid 176 and name HN ))
(( segid " A" and resid 128 and name HA ))
3.546 1.773 1.773 peak 39 weight 1.00000E+00 volume -2.46786E+04 ppm1 8.276 ppm2 5.432
ASSI { 41}
(( segid " A" and resid 176 and name HN ))
(( segid " A" and resid 176 and name HA ))
3.535 1.768 1.768 peak 41 weight 1.00000E+00 volume -2.11441E+04 ppm1 8.278 ppm2 2.895
ASSI { 42}
(( segid " A" and resid 176 and name HN ))
(( segid " A" and resid 176 and name HB ))
3.271 1.551 1.635 peak 42 weight 1.00000E+00 volume -4.23986E+04 ppm1 8.281 ppm2 3.759
ASSI { 47}
(( segid " A" and resid 175 and name HN ))
( segid " A" and resid 182 and name HD1#)
2.859 1.139 1.430 peak 47 weight 1.00000E+00 volume -7.13750E+04 ppm1 8.883 ppm2 1.001
ASSI { 48}
(( segid " A" and resid 175 and name HN ))
( segid " A" and resid 174 and name HG2#)
2.678 0.958 1.339 peak 48 weight 1.00000E+00 volume -1.91329E+06 ppm1 8.879 ppm2 0.711
ASSI { 49}
(( segid " A" and resid 129 and name HN ))
(( segid " A" and resid 174 and name HN ))
3.715 1.858 1.858 peak 49 weight 1.00000E+00 volume -2.68651E+05 ppm1 8.978 ppm2 8.542
ASSI { 51}
(( segid " A" and resid 174 and name HN ))
(( segid " A" and resid 174 and name HB ))
3.159 1.439 1.580 peak 51 weight 1.00000E+00 volume -4.63401E+04 ppm1 8.976 ppm2 1.544
ASSI { 52}
(( segid " A" and resid 174 and name HN ))
( segid " A" and resid 174 and name HG2#)
3.023 1.303 1.511 peak 52 weight 1.00000E+00 volume -5.78142E+04 ppm1 8.978 ppm2 0.731
ASSI { 53}
(( segid " A" and resid 174 and name HN ))
( segid " A" and resid 128 and name HG2#)
3.145 1.425 1.573 peak 53 weight 1.00000E+00 volume -4.42426E+04 ppm1 8.973 ppm2 0.982
ASSI { 54}
(( segid " A" and resid 173 and name HN ))
(( segid " A" and resid 172 and name HA ))
3.008 1.288 1.504 peak 54 weight 1.00000E+00 volume -6.58304E+04 ppm1 8.788 ppm2 4.977
ASSI { 55}
(( segid " A" and resid 173 and name HN ))
(( segid " A" and resid 172 and name HB2 ))
3.315 1.595 1.658 peak 55 weight 1.00000E+00 volume -2.64637E+04 ppm1 8.794 ppm2 1.933
ASSI { 60}
(( segid " A" and resid 172 and name HN ))
(( segid " A" and resid 171 and name HA ))
2.994 1.274 1.497 peak 60 weight 1.00000E+00 volume -6.82587E+04 ppm1 9.309 ppm2 4.346
ASSI { 62}
(( segid " A" and resid 172 and name HB2 ))
(( segid " A" and resid 172 and name HN ))
2.886 1.166 1.443 peak 62 weight 1.00000E+00 volume -8.10685E+04 ppm1 9.305 ppm2 1.908
ASSI { 63}
(( segid " A" and resid 172 and name HN ))
( segid " A" and resid 133 and name HG1#)
2.846 1.126 1.423 peak 63 weight 1.00000E+00 volume -8.49076E+04 ppm1 9.308 ppm2 0.994
ASSI { 65}
(( segid " A" and resid 171 and name HN ))
(( segid " A" and resid 170 and name HA ))
2.764 1.044 1.382 peak 65 weight 1.00000E+00 volume -6.07593E+04 ppm1 8.658 ppm2 4.612
ASSI { 68}
(( segid " A" and resid 171 and name HN ))
(( segid " A" and resid 170 and name HB2 ))
3.334 1.614 1.667 peak 68 weight 1.00000E+00 volume -3.59620E+04 ppm1 8.656 ppm2 2.978
ASSI { 69}
(( segid " A" and resid 171 and name HN ))
(( segid " A" and resid 171 and name HB ))
2.896 1.176 1.448 peak 69 weight 1.00000E+00 volume -8.84148E+04 ppm1 8.660 ppm2 1.889
ASSI { 71}
(( segid " A" and resid 133 and name HN ))
(( segid " A" and resid 170 and name HN ))
3.861 1.931 1.931 peak 71 weight 1.00000E+00 volume -2.93956E+04 ppm1 7.849 ppm2 9.189
ASSI { 72}
(( segid " A" and resid 169 and name HN ))
(( segid " A" and resid 170 and name HN ))
3.065 1.345 1.533 peak 72 weight 1.00000E+00 volume -8.51627E+05 ppm1 7.844 ppm2 8.800
ASSI { 73}
(( segid " A" and resid 170 and name HN ))
(( segid " A" and resid 169 and name HA2 ))
3.131 1.411 1.566 peak 73 weight 1.00000E+00 volume -4.57385E+04 ppm1 7.845 ppm2 4.405
ASSI { 74}
(( segid " A" and resid 170 and name HN ))
(( segid " A" and resid 169 and name HA1 ))
3.084 1.364 1.542 peak 74 weight 1.00000E+00 volume -4.92981E+04 ppm1 7.844 ppm2 3.485
ASSI { 75}
(( segid " A" and resid 170 and name HN ))
(( segid " A" and resid 170 and name HB2 ))
2.788 1.068 1.394 peak 75 weight 1.00000E+00 volume -1.50227E+06 ppm1 7.853 ppm2 2.981
ASSI { 78}
(( segid " A" and resid 170 and name HN ))
( segid " A" and resid 133 and name HG1#)
2.803 1.083 1.402 peak 78 weight 1.00000E+00 volume -9.53407E+04 ppm1 7.848 ppm2 0.947
ASSI { 79}
(( segid " A" and resid 170 and name HN ))
( segid " A" and resid 133 and name HG2#)
3.214 1.494 1.607 peak 79 weight 1.00000E+00 volume -5.06837E+04 ppm1 7.848 ppm2 0.768
ASSI { 80}
(( segid " A" and resid 169 and name HN ))
(( segid " A" and resid 170 and name HN ))
3.425 1.705 1.712 peak 80 weight 1.00000E+00 volume -2.79558E+04 ppm1 8.786 ppm2 7.849
ASSI { 81}
(( segid " A" and resid 169 and name HN ))
(( segid " A" and resid 169 and name HA2 ))
3.138 1.418 1.569 peak 81 weight 1.00000E+00 volume -4.50526E+04 ppm1 8.789 ppm2 4.409
ASSI { 82}
(( segid " A" and resid 169 and name HN ))
(( segid " A" and resid 169 and name HA1 ))
2.774 1.054 1.387 peak 82 weight 1.00000E+00 volume -9.18539E+04 ppm1 8.792 ppm2 3.481
ASSI { 83}
(( segid " A" and resid 169 and name HN ))
(( segid " A" and resid 168 and name HG2 ))
3.334 1.614 1.667 peak 83 weight 1.00000E+00 volume -3.08724E+04 ppm1 8.794 ppm2 2.289
ASSI { 85}
(( segid " A" and resid 169 and name HN ))
( segid " A" and resid 133 and name HG2#)
3.351 1.631 1.675 peak 85 weight 1.00000E+00 volume -3.32429E+04 ppm1 8.786 ppm2 0.767
ASSI { 86}
(( segid " A" and resid 169 and name HN ))
( segid " A" and resid 133 and name HG1#)
3.390 1.670 1.695 peak 86 weight 1.00000E+00 volume -4.65705E+05 ppm1 8.791 ppm2 0.939
ASSI { 87}
(( segid " A" and resid 169 and name HN ))
( segid " A" and resid 132 and name HG2#)
3.445 1.723 1.723 peak 87 weight 1.00000E+00 volume -4.22225E+05 ppm1 8.786 ppm2 1.095
ASSI { 88}
(( segid " A" and resid 168 and name HN ))
(( segid " A" and resid 167 and name HA ))
2.918 1.198 1.459 peak 88 weight 1.00000E+00 volume -1.14379E+06 ppm1 8.783 ppm2 5.057
ASSI { 90}
(( segid " A" and resid 168 and name HN ))
(( segid " A" and resid 167 and name HB2 ))
3.082 1.362 1.541 peak 90 weight 1.00000E+00 volume -8.24242E+05 ppm1 8.787 ppm2 2.665
ASSI { 92}
(( segid " A" and resid 168 and name HG2 ))
(( segid " A" and resid 168 and name HN ))
3.263 1.543 1.631 peak 92 weight 1.00000E+00 volume -5.85302E+05 ppm1 8.783 ppm2 2.283
ASSI { 93}
(( segid " A" and resid 168 and name HN ))
(( segid " A" and resid 168 and name HB2 ))
2.810 1.090 1.405 peak 93 weight 1.00000E+00 volume -1.43532E+06 ppm1 8.787 ppm2 1.872
ASSI { 95}
(( segid " A" and resid 169 and name HN ))
(( segid " A" and resid 168 and name HB2 ))
3.396 1.676 1.698 peak 95 weight 1.00000E+00 volume -4.60432E+05 ppm1 8.789 ppm2 1.867
ASSI { 97}
(( segid " A" and resid 72 and name HN ))
(( segid " A" and resid 71 and name HA ))
2.870 1.150 1.435 peak 97 weight 1.00000E+00 volume -1.26348E+06 ppm1 9.126 ppm2 5.207
ASSI { 98}
(( segid " A" and resid 167 and name HN ))
(( segid " A" and resid 166 and name HA ))
2.843 1.123 1.422 peak 98 weight 1.00000E+00 volume -9.87669E+04 ppm1 9.132 ppm2 3.817
ASSI { 99}
(( segid " A" and resid 167 and name HA ))
(( segid " A" and resid 167 and name HN ))
3.289 1.569 1.644 peak 99 weight 1.00000E+00 volume -3.24117E+04 ppm1 9.135 ppm2 5.058
ASSI { 102}
(( segid " A" and resid 167 and name HB2 ))
(( segid " A" and resid 167 and name HN ))
2.951 1.231 1.475 peak 102 weight 1.00000E+00 volume -5.42949E+04 ppm1 9.122 ppm2 2.683
ASSI { 103}
(( segid " A" and resid 167 and name HB1 ))
(( segid " A" and resid 167 and name HN ))
3.011 1.291 1.506 peak 103 weight 1.00000E+00 volume -4.82463E+04 ppm1 9.124 ppm2 2.617
ASSI { 105}
(( segid " A" and resid 167 and name HN ))
( segid " A" and resid 166 and name HG1#)
3.129 1.409 1.565 peak 105 weight 1.00000E+00 volume -4.68601E+04 ppm1 9.129 ppm2 0.679
ASSI { 106}
(( segid " A" and resid 166 and name HN ))
(( segid " A" and resid 165 and name HA ))
3.728 1.864 1.864 peak 106 weight 1.00000E+00 volume -2.62953E+05 ppm1 6.729 ppm2 4.518
ASSI { 107}
(( segid " A" and resid 166 and name HN ))
(( segid " A" and resid 166 and name HA ))
3.597 1.798 1.798 peak 107 weight 1.00000E+00 volume -3.26325E+05 ppm1 6.725 ppm2 3.814
ASSI { 109}
(( segid " A" and resid 166 and name HN ))
(( segid " A" and resid 166 and name HB ))
2.786 1.066 1.393 peak 109 weight 1.00000E+00 volume -1.51132E+06 ppm1 6.729 ppm2 1.722
ASSI { 111}
(( segid " A" and resid 166 and name HN ))
( segid " A" and resid 166 and name HG1#)
2.741 1.021 1.370 peak 111 weight 1.00000E+00 volume -1.66556E+06 ppm1 6.731 ppm2 0.679
ASSI { 113}
(( segid " A" and resid 165 and name HN ))
(( segid " A" and resid 164 and name HA ))
3.932 1.966 1.966 peak 113 weight 1.00000E+00 volume -1.91089E+05 ppm1 6.441 ppm2 3.494
ASSI { 114}
(( segid " A" and resid 164 and name HN ))
(( segid " A" and resid 163 and name HA ))
2.901 1.181 1.450 peak 114 weight 1.00000E+00 volume -1.18546E+06 ppm1 7.788 ppm2 4.286
ASSI { 115}
(( segid " A" and resid 164 and name HA ))
(( segid " A" and resid 164 and name HN ))
3.463 1.732 1.732 peak 115 weight 1.00000E+00 volume -4.09129E+05 ppm1 7.788 ppm2 3.527
ASSI { 116}
(( segid " A" and resid 164 and name HN ))
(( segid " A" and resid 164 and name HB2 ))
2.723 1.003 1.362 peak 116 weight 1.00000E+00 volume -1.73123E+06 ppm1 7.793 ppm2 1.653
ASSI { 119}
(( segid " A" and resid 164 and name HN ))
( segid " A" and resid 164 and name HD1#)
3.452 1.726 1.726 peak 119 weight 1.00000E+00 volume -4.17633E+05 ppm1 7.788 ppm2 0.637
ASSI { 120}
(( segid " A" and resid 164 and name HN ))
( segid " A" and resid 164 and name HD2#)
3.107 1.387 1.553 peak 120 weight 1.00000E+00 volume -7.85810E+05 ppm1 7.785 ppm2 0.838
ASSI { 121}
(( segid " A" and resid 164 and name HN ))
(( segid " A" and resid 163 and name HB2 ))
3.880 1.940 1.940 peak 121 weight 1.00000E+00 volume -1.11407E+04 ppm1 7.787 ppm2 2.013
ASSI { 123}
(( segid " A" and resid 162 and name HN ))
(( segid " A" and resid 150 and name HN ))
3.585 1.792 1.792 peak 123 weight 1.00000E+00 volume -3.32749E+05 ppm1 9.284 ppm2 9.100
ASSI { 124}
(( segid " A" and resid 162 and name HN ))
(( segid " A" and resid 161 and name HA ))
2.900 1.180 1.450 peak 124 weight 1.00000E+00 volume -8.71059E+04 ppm1 9.285 ppm2 5.312
ASSI { 125}
(( segid " A" and resid 162 and name HN ))
(( segid " A" and resid 149 and name HA ))
3.243 1.523 1.622 peak 125 weight 1.00000E+00 volume -3.96780E+04 ppm1 9.288 ppm2 4.725
ASSI { 127}
(( segid " A" and resid 162 and name HN ))
(( segid " A" and resid 162 and name HB ))
3.664 1.832 1.832 peak 127 weight 1.00000E+00 volume -2.91935E+05 ppm1 9.282 ppm2 2.257
ASSI { 128}
(( segid " A" and resid 162 and name HN ))
( segid " A" and resid 162 and name HG1#)
3.279 1.559 1.639 peak 128 weight 1.00000E+00 volume -5.68369E+05 ppm1 9.281 ppm2 0.541
ASSI { 129}
(( segid " A" and resid 161 and name HA ))
(( segid " A" and resid 161 and name HN ))
3.552 1.776 1.776 peak 129 weight 1.00000E+00 volume -3.51937E+05 ppm1 8.111 ppm2 5.309
ASSI { 130}
(( segid " A" and resid 161 and name HN ))
(( segid " A" and resid 160 and name HA ))
2.759 1.039 1.379 peak 130 weight 1.00000E+00 volume -1.60227E+06 ppm1 8.103 ppm2 4.574
ASSI { 131}
(( segid " A" and resid 161 and name HN ))
(( segid " A" and resid 161 and name HB2 ))
3.146 1.426 1.573 peak 131 weight 1.00000E+00 volume -5.65295E+04 ppm1 8.106 ppm2 2.622
ASSI { 136}
(( segid " A" and resid 161 and name HN ))
( segid " A" and resid 160 and name HD1#)
3.239 1.519 1.620 peak 136 weight 1.00000E+00 volume -3.70188E+04 ppm1 8.102 ppm2 0.722
ASSI { 137}
(( segid " A" and resid 152 and name HN ))
(( segid " A" and resid 160 and name HN ))
3.694 1.847 1.847 peak 137 weight 1.00000E+00 volume -1.79844E+04 ppm1 8.884 ppm2 9.178
ASSI { 138}
(( segid " A" and resid 160 and name HN ))
(( segid " A" and resid 159 and name HA ))
2.794 1.074 1.397 peak 138 weight 1.00000E+00 volume -1.48492E+06 ppm1 8.881 ppm2 5.223
ASSI { 141}
(( segid " A" and resid 160 and name HN ))
( segid " A" and resid 160 and name HD1#)
2.603 0.883 1.301 peak 141 weight 1.00000E+00 volume -2.27064E+06 ppm1 8.882 ppm2 0.719
ASSI { 142}
(( segid " A" and resid 159 and name HN ))
( segid " A" and resid 158 and name HD# )
2.656 0.936 1.328 peak 142 weight 1.00000E+00 volume -2.01175E+06 ppm1 7.257 ppm2 6.839
ASSI { 143}
(( segid " A" and resid 160 and name HN ))
(( segid " A" and resid 159 and name HN ))
3.942 1.971 1.971 peak 143 weight 1.00000E+00 volume -1.88076E+05 ppm1 7.252 ppm2 8.883
ASSI { 144}
(( segid " A" and resid 159 and name HA ))
(( segid " A" and resid 159 and name HN ))
3.276 1.556 1.638 peak 144 weight 1.00000E+00 volume -5.71609E+05 ppm1 7.264 ppm2 5.219
ASSI { 145}
(( segid " A" and resid 159 and name HN ))
(( segid " A" and resid 158 and name HA ))
2.524 0.804 1.262 peak 145 weight 1.00000E+00 volume -2.73216E+06 ppm1 7.260 ppm2 4.512
ASSI { 147}
(( segid " A" and resid 159 and name HN ))
(( segid " A" and resid 159 and name HB ))
2.859 1.139 1.430 peak 147 weight 1.00000E+00 volume -9.11667E+04 ppm1 7.260 ppm2 3.646
ASSI { 150}
(( segid " A" and resid 159 and name HN ))
(( segid " A" and resid 158 and name HB2 ))
3.659 1.829 1.829 peak 150 weight 1.00000E+00 volume -2.94519E+05 ppm1 7.257 ppm2 3.061
ASSI { 151}
(( segid " A" and resid 157 and name HN ))
(( segid " A" and resid 158 and name HN ))
3.095 1.375 1.548 peak 151 weight 1.00000E+00 volume -8.02810E+05 ppm1 7.050 ppm2 8.894
ASSI { 152}
( segid " A" and resid 158 and name HD# )
(( segid " A" and resid 158 and name HN ))
3.203 1.483 1.601 peak 152 weight 1.00000E+00 volume -6.54196E+05 ppm1 7.050 ppm2 6.848
ASSI { 154}
(( segid " A" and resid 158 and name HA ))
(( segid " A" and resid 158 and name HN ))
2.886 1.166 1.443 peak 154 weight 1.00000E+00 volume -7.43743E+04 ppm1 7.050 ppm2 4.484
ASSI { 155}
(( segid " A" and resid 157 and name HA1 ))
(( segid " A" and resid 158 and name HN ))
3.466 1.733 1.733 peak 155 weight 1.00000E+00 volume -2.86793E+04 ppm1 7.054 ppm2 3.494
ASSI { 156}
(( segid " A" and resid 158 and name HB2 ))
(( segid " A" and resid 158 and name HN ))
3.156 1.436 1.578 peak 156 weight 1.00000E+00 volume -5.05372E+04 ppm1 7.051 ppm2 3.064
ASSI { 158}
(( segid " A" and resid 158 and name HN ))
( segid " A" and resid 156 and name HG2#)
2.978 1.258 1.489 peak 158 weight 1.00000E+00 volume -6.48450E+04 ppm1 7.047 ppm2 1.206
ASSI { 159}
(( segid " A" and resid 157 and name HN ))
(( segid " A" and resid 158 and name HN ))
3.117 1.397 1.558 peak 159 weight 1.00000E+00 volume -5.57838E+04 ppm1 8.890 ppm2 7.052
ASSI { 160}
(( segid " A" and resid 157 and name HN ))
(( segid " A" and resid 156 and name HN ))
3.005 1.285 1.503 peak 160 weight 1.00000E+00 volume -6.68150E+04 ppm1 8.895 ppm2 6.724
ASSI { 162}
(( segid " A" and resid 157 and name HN ))
( segid " A" and resid 156 and name HG2#)
2.897 1.177 1.449 peak 162 weight 1.00000E+00 volume -6.99538E+04 ppm1 8.889 ppm2 1.166
ASSI { 163}
( segid " A" and resid 156 and name HG2#)
(( segid " A" and resid 156 and name HN ))
2.658 0.938 1.329 peak 163 weight 1.00000E+00 volume -9.78271E+04 ppm1 6.724 ppm2 1.162
ASSI { 164}
(( segid " A" and resid 156 and name HN ))
(( segid " A" and resid 156 and name HA ))
2.862 1.142 1.431 peak 164 weight 1.00000E+00 volume -8.64977E+04 ppm1 6.727 ppm2 4.484
ASSI { 166}
(( segid " A" and resid 157 and name HN ))
(( segid " A" and resid 156 and name HN ))
3.007 1.287 1.504 peak 166 weight 1.00000E+00 volume -6.46469E+04 ppm1 6.727 ppm2 8.886
ASSI { 168}
(( segid " A" and resid 156 and name HN ))
(( segid " A" and resid 155 and name HG2 ))
3.105 1.385 1.552 peak 168 weight 1.00000E+00 volume -5.18659E+04 ppm1 6.724 ppm2 2.433
ASSI { 169}
(( segid " A" and resid 156 and name HN ))
(( segid " A" and resid 155 and name HG1 ))
3.089 1.369 1.544 peak 169 weight 1.00000E+00 volume -8.13224E+05 ppm1 6.729 ppm2 2.310
ASSI { 170}
(( segid " A" and resid 155 and name HG1 ))
(( segid " A" and resid 155 and name HN ))
3.125 1.405 1.562 peak 170 weight 1.00000E+00 volume -7.58750E+05 ppm1 8.379 ppm2 2.313
ASSI { 171}
(( segid " A" and resid 155 and name HG2 ))
(( segid " A" and resid 155 and name HN ))
3.089 1.369 1.544 peak 171 weight 1.00000E+00 volume -4.77596E+04 ppm1 8.379 ppm2 2.452
ASSI { 172}
(( segid " A" and resid 155 and name HN ))
( segid " A" and resid 132 and name HG2#)
3.155 1.435 1.577 peak 172 weight 1.00000E+00 volume -7.16499E+05 ppm1 8.383 ppm2 1.075
ASSI { 173}
(( segid " A" and resid 154 and name HN ))
( segid " A" and resid 154 and name HG1#)
2.747 1.027 1.374 peak 173 weight 1.00000E+00 volume -1.64211E+06 ppm1 8.756 ppm2 1.188
ASSI { 174}
(( segid " A" and resid 154 and name HN ))
(( segid " A" and resid 154 and name HA ))
2.950 1.230 1.475 peak 174 weight 1.00000E+00 volume -5.61355E+04 ppm1 8.729 ppm2 4.253
ASSI { 175}
(( segid " A" and resid 155 and name HN ))
(( segid " A" and resid 154 and name HA ))
3.663 1.832 1.832 peak 175 weight 1.00000E+00 volume -2.11982E+04 ppm1 8.376 ppm2 4.270
ASSI { 178}
(( segid " A" and resid 153 and name HN ))
(( segid " A" and resid 152 and name HA ))
2.965 1.245 1.482 peak 178 weight 1.00000E+00 volume -1.03993E+06 ppm1 9.099 ppm2 4.927
ASSI { 181}
(( segid " A" and resid 153 and name HN ))
(( segid " A" and resid 153 and name HB ))
3.219 1.499 1.609 peak 181 weight 1.00000E+00 volume -6.34954E+05 ppm1 9.106 ppm2 3.776
ASSI { 182}
(( segid " A" and resid 153 and name HN ))
( segid " A" and resid 152 and name HB# )
3.046 1.326 1.523 peak 182 weight 1.00000E+00 volume -8.83645E+05 ppm1 9.101 ppm2 1.203
ASSI { 184}
(( segid " A" and resid 152 and name HN ))
(( segid " A" and resid 151 and name HB2 ))
3.531 1.766 1.766 peak 184 weight 1.00000E+00 volume -3.92393E+04 ppm1 9.186 ppm2 3.610
ASSI { 185}
(( segid " A" and resid 152 and name HN ))
(( segid " A" and resid 152 and name HA ))
4.279 2.140 2.140 peak 185 weight 1.00000E+00 volume -2.37631E+04 ppm1 9.186 ppm2 4.934
ASSI { 186}
(( segid " A" and resid 152 and name HN ))
(( segid " A" and resid 161 and name HA ))
4.045 2.023 2.023 peak 186 weight 1.00000E+00 volume -2.10545E+04 ppm1 9.191 ppm2 5.304
ASSI { 189}
(( segid " A" and resid 152 and name HN ))
( segid " A" and resid 160 and name HD1#)
3.041 1.321 1.520 peak 189 weight 1.00000E+00 volume -4.95883E+04 ppm1 9.189 ppm2 0.721
ASSI { 190}
(( segid " A" and resid 151 and name HN ))
(( segid " A" and resid 150 and name HA ))
2.446 0.726 1.223 peak 190 weight 1.00000E+00 volume -1.89329E+05 ppm1 8.531 ppm2 4.722
ASSI { 191}
(( segid " A" and resid 151 and name HB2 ))
(( segid " A" and resid 151 and name HN ))
2.889 1.169 1.444 peak 191 weight 1.00000E+00 volume -1.21480E+06 ppm1 8.531 ppm2 3.601
ASSI { 194}
(( segid " A" and resid 150 and name HN ))
(( segid " A" and resid 150 and name HA ))
2.742 1.022 1.371 peak 194 weight 1.00000E+00 volume -1.66269E+06 ppm1 9.087 ppm2 4.759
ASSI { 195}
(( segid " A" and resid 150 and name HN ))
(( segid " A" and resid 149 and name HB ))
3.134 1.414 1.567 peak 195 weight 1.00000E+00 volume -4.71340E+04 ppm1 9.087 ppm2 3.931
ASSI { 197}
(( segid " A" and resid 150 and name HN ))
( segid " A" and resid 149 and name HG2#)
2.851 1.131 1.425 peak 197 weight 1.00000E+00 volume -1.31619E+06 ppm1 9.082 ppm2 0.825
ASSI { 200}
(( segid " A" and resid 149 and name HN ))
(( segid " A" and resid 148 and name HA ))
2.802 1.082 1.401 peak 200 weight 1.00000E+00 volume -1.07400E+05 ppm1 7.887 ppm2 4.414
ASSI { 201}
(( segid " A" and resid 149 and name HN ))
( segid " A" and resid 148 and name HB# )
3.173 1.453 1.586 peak 201 weight 1.00000E+00 volume -5.07528E+04 ppm1 7.876 ppm2 1.411
ASSI { 202}
( segid " A" and resid 149 and name HG2#)
(( segid " A" and resid 149 and name HN ))
3.403 1.683 1.701 peak 202 weight 1.00000E+00 volume -4.55013E+05 ppm1 7.887 ppm2 0.833
ASSI { 203}
(( segid " A" and resid 137 and name HN ))
(( segid " A" and resid 136 and name HA ))
3.896 1.948 1.948 peak 203 weight 1.00000E+00 volume -2.01878E+05 ppm1 8.172 ppm2 4.329
ASSI { 204}
(( segid " A" and resid 137 and name HN ))
(( segid " A" and resid 137 and name HG2 ))
3.096 1.376 1.548 peak 204 weight 1.00000E+00 volume -8.01373E+05 ppm1 8.172 ppm2 2.314
ASSI { 205}
(( segid " A" and resid 137 and name HN ))
(( segid " A" and resid 137 and name HB2 ))
3.168 1.448 1.584 peak 205 weight 1.00000E+00 volume -5.12640E+04 ppm1 8.179 ppm2 2.080
ASSI { 206}
(( segid " A" and resid 137 and name HN ))
(( segid " A" and resid 137 and name HB1 ))
3.028 1.308 1.514 peak 206 weight 1.00000E+00 volume -6.38418E+04 ppm1 8.179 ppm2 1.912
ASSI { 221}
(( segid " A" and resid 134 and name HN ))
(( segid " A" and resid 134 and name HA ))
3.766 1.883 1.883 peak 221 weight 1.00000E+00 volume -2.47620E+05 ppm1 9.420 ppm2 4.433
ASSI { 223}
(( segid " A" and resid 134 and name HN ))
(( segid " A" and resid 133 and name HA ))
3.354 1.634 1.677 peak 223 weight 1.00000E+00 volume -4.96348E+05 ppm1 9.420 ppm2 4.063
ASSI { 225}
(( segid " A" and resid 134 and name HN ))
( segid " A" and resid 134 and name HG2#)
3.396 1.676 1.698 peak 225 weight 1.00000E+00 volume -4.60282E+05 ppm1 9.416 ppm2 0.796
ASSI { 226}
(( segid " A" and resid 133 and name HN ))
(( segid " A" and resid 169 and name HN ))
3.873 1.936 1.936 peak 226 weight 1.00000E+00 volume -2.09397E+05 ppm1 9.200 ppm2 8.805
ASSI { 229}
(( segid " A" and resid 133 and name HN ))
(( segid " A" and resid 133 and name HB ))
2.833 1.113 1.416 peak 229 weight 1.00000E+00 volume -9.24025E+04 ppm1 9.193 ppm2 1.898
ASSI { 230}
(( segid " A" and resid 133 and name HN ))
( segid " A" and resid 133 and name HG1#)
2.647 0.927 1.324 peak 230 weight 1.00000E+00 volume -1.06561E+05 ppm1 9.195 ppm2 0.973
ASSI { 231}
(( segid " A" and resid 133 and name HN ))
( segid " A" and resid 133 and name HG2#)
2.918 1.198 1.459 peak 231 weight 1.00000E+00 volume -5.92684E+04 ppm1 9.197 ppm2 0.798
ASSI { 232}
(( segid " A" and resid 132 and name HN ))
(( segid " A" and resid 131 and name HA ))
3.132 1.412 1.566 peak 232 weight 1.00000E+00 volume -7.48834E+05 ppm1 9.733 ppm2 5.159
ASSI { 236}
(( segid " A" and resid 132 and name HN ))
( segid " A" and resid 132 and name HG2#)
2.914 1.194 1.457 peak 236 weight 1.00000E+00 volume -1.15379E+06 ppm1 9.747 ppm2 1.096
ASSI { 237}
(( segid " A" and resid 131 and name HN ))
(( segid " A" and resid 130 and name HA ))
2.766 1.046 1.383 peak 237 weight 1.00000E+00 volume -1.57577E+06 ppm1 8.940 ppm2 5.493
ASSI { 238}
(( segid " A" and resid 131 and name HN ))
(( segid " A" and resid 131 and name HA ))
3.034 1.314 1.517 peak 238 weight 1.00000E+00 volume -3.65030E+04 ppm1 8.948 ppm2 5.144
ASSI { 241}
(( segid " A" and resid 131 and name HN ))
(( segid " A" and resid 131 and name HB2 ))
3.167 1.447 1.583 peak 241 weight 1.00000E+00 volume -7.00021E+05 ppm1 8.934 ppm2 1.760
ASSI { 242}
(( segid " A" and resid 130 and name HA ))
(( segid " A" and resid 130 and name HN ))
3.509 1.754 1.754 peak 242 weight 1.00000E+00 volume -2.64844E+04 ppm1 8.035 ppm2 5.488
ASSI { 244}
(( segid " A" and resid 130 and name HN ))
(( segid " A" and resid 130 and name HB2 ))
2.715 0.995 1.357 peak 244 weight 1.00000E+00 volume -1.26081E+05 ppm1 8.032 ppm2 2.027
ASSI { 245}
(( segid " A" and resid 130 and name HN ))
(( segid " A" and resid 130 and name HB1 ))
2.944 1.224 1.472 peak 245 weight 1.00000E+00 volume -6.97560E+04 ppm1 8.032 ppm2 1.885
ASSI { 247}
(( segid " A" and resid 130 and name HN ))
(( segid " A" and resid 130 and name HG2 ))
3.186 1.466 1.593 peak 247 weight 1.00000E+00 volume -4.14173E+04 ppm1 8.040 ppm2 2.231
ASSI { 248}
(( segid " A" and resid 130 and name HN ))
( segid " A" and resid 129 and name HG1#)
2.808 1.088 1.404 peak 248 weight 1.00000E+00 volume -1.05029E+05 ppm1 8.033 ppm2 0.885
ASSI { 249}
(( segid " A" and resid 129 and name HN ))
( segid " A" and resid 129 and name HG1#)
2.698 0.978 1.349 peak 249 weight 1.00000E+00 volume -1.83192E+06 ppm1 8.529 ppm2 0.912
ASSI { 250}
(( segid " A" and resid 129 and name HN ))
( segid " A" and resid 129 and name HG2#)
3.010 1.290 1.505 peak 250 weight 1.00000E+00 volume -9.50131E+05 ppm1 8.529 ppm2 0.705
ASSI { 251}
(( segid " A" and resid 129 and name HN ))
(( segid " A" and resid 128 and name HB ))
3.188 1.468 1.594 peak 251 weight 1.00000E+00 volume -6.73184E+05 ppm1 8.522 ppm2 3.963
ASSI { 253}
(( segid " A" and resid 129 and name HN ))
(( segid " A" and resid 128 and name HA ))
2.865 1.145 1.432 peak 253 weight 1.00000E+00 volume -1.27736E+06 ppm1 8.519 ppm2 5.440
ASSI { 254}
(( segid " A" and resid 129 and name HN ))
(( segid " A" and resid 129 and name HA ))
3.361 1.641 1.681 peak 254 weight 1.00000E+00 volume -2.38538E+04 ppm1 8.523 ppm2 4.625
ASSI { 257}
(( segid " A" and resid 129 and name HN ))
(( segid " A" and resid 129 and name HB ))
4.190 2.095 2.095 peak 257 weight 1.00000E+00 volume -1.68855E+04 ppm1 8.539 ppm2 2.026
ASSI { 258}
(( segid " A" and resid 128 and name HN ))
(( segid " A" and resid 127 and name HN ))
3.855 1.927 1.927 peak 258 weight 1.00000E+00 volume -2.26495E+04 ppm1 7.424 ppm2 8.548
ASSI { 259}
(( segid " A" and resid 129 and name HN ))
(( segid " A" and resid 174 and name HN ))
3.545 1.773 1.773 peak 259 weight 1.00000E+00 volume -2.62569E+04 ppm1 8.524 ppm2 8.986
ASSI { 260}
(( segid " A" and resid 128 and name HA ))
(( segid " A" and resid 128 and name HN ))
3.151 1.431 1.575 peak 260 weight 1.00000E+00 volume -6.20431E+04 ppm1 7.422 ppm2 5.431
ASSI { 262}
(( segid " A" and resid 128 and name HN ))
(( segid " A" and resid 126 and name HA ))
3.474 1.737 1.737 peak 262 weight 1.00000E+00 volume -3.34385E+04 ppm1 7.416 ppm2 4.533
ASSI { 263}
(( segid " A" and resid 128 and name HN ))
(( segid " A" and resid 127 and name HA ))
3.282 1.562 1.641 peak 263 weight 1.00000E+00 volume -5.65286E+05 ppm1 7.417 ppm2 3.772
ASSI { 265}
(( segid " A" and resid 128 and name HN ))
(( segid " A" and resid 126 and name HB2 ))
2.854 1.134 1.427 peak 265 weight 1.00000E+00 volume -1.30574E+06 ppm1 7.415 ppm2 2.184
ASSI { 266}
(( segid " A" and resid 128 and name HN ))
(( segid " A" and resid 127 and name HB2 ))
2.775 1.055 1.387 peak 266 weight 1.00000E+00 volume -1.54739E+06 ppm1 7.410 ppm2 1.857
ASSI { 267}
(( segid " A" and resid 128 and name HN ))
( segid " A" and resid 128 and name HG2#)
2.883 1.163 1.442 peak 267 weight 1.00000E+00 volume -8.44845E+04 ppm1 7.410 ppm2 0.960
ASSI { 270}
(( segid " A" and resid 125 and name HN ))
(( segid " A" and resid 124 and name HB1 ))
2.984 1.264 1.492 peak 270 weight 1.00000E+00 volume -5.85798E+04 ppm1 8.812 ppm2 1.773
ASSI { 273}
(( segid " A" and resid 125 and name HN ))
(( segid " A" and resid 125 and name HB2 ))
3.023 1.303 1.511 peak 273 weight 1.00000E+00 volume -5.55118E+04 ppm1 8.815 ppm2 1.584
ASSI { 275}
(( segid " A" and resid 123 and name HN ))
(( segid " A" and resid 122 and name HA2 ))
2.521 0.801 1.260 peak 275 weight 1.00000E+00 volume -1.60414E+05 ppm1 8.324 ppm2 4.168
ASSI { 276}
(( segid " A" and resid 123 and name HN ))
(( segid " A" and resid 122 and name HA1 ))
2.490 0.770 1.245 peak 276 weight 1.00000E+00 volume -1.81368E+05 ppm1 8.324 ppm2 4.095
ASSI { 278}
(( segid " A" and resid 123 and name HN ))
( segid " A" and resid 123 and name HG1#)
2.876 1.156 1.438 peak 278 weight 1.00000E+00 volume -8.25818E+04 ppm1 8.322 ppm2 0.554
ASSI { 279}
(( segid " A" and resid 122 and name HN ))
(( segid " A" and resid 121 and name HN ))
2.902 1.182 1.451 peak 279 weight 1.00000E+00 volume -1.18162E+06 ppm1 7.413 ppm2 8.976
ASSI { 280}
(( segid " A" and resid 114 and name HN ))
(( segid " A" and resid 122 and name HN ))
3.713 1.857 1.857 peak 280 weight 1.00000E+00 volume -2.69410E+05 ppm1 7.415 ppm2 8.502
ASSI { 281}
(( segid " A" and resid 122 and name HN ))
(( segid " A" and resid 115 and name HA ))
4.052 2.026 2.026 peak 281 weight 1.00000E+00 volume -1.59573E+05 ppm1 7.416 ppm2 5.335
ASSI { 283}
(( segid " A" and resid 122 and name HN ))
(( segid " A" and resid 122 and name HA2 ))
2.747 1.027 1.373 peak 283 weight 1.00000E+00 volume -1.09310E+05 ppm1 7.411 ppm2 4.167
ASSI { 284}
(( segid " A" and resid 122 and name HN ))
(( segid " A" and resid 122 and name HA1 ))
2.799 1.079 1.400 peak 284 weight 1.00000E+00 volume -7.37395E+04 ppm1 7.414 ppm2 4.098
ASSI { 285}
(( segid " A" and resid 122 and name HN ))
(( segid " A" and resid 121 and name HB ))
3.189 1.469 1.595 peak 285 weight 1.00000E+00 volume -4.36832E+04 ppm1 7.412 ppm2 1.878
ASSI { 288}
(( segid " A" and resid 122 and name HN ))
(( segid " A" and resid 121 and name HN ))
3.385 1.665 1.692 peak 288 weight 1.00000E+00 volume -4.69853E+05 ppm1 8.973 ppm2 7.416
ASSI { 289}
(( segid " A" and resid 121 and name HN ))
(( segid " A" and resid 121 and name HA ))
3.511 1.756 1.756 peak 289 weight 1.00000E+00 volume -3.76832E+05 ppm1 8.987 ppm2 4.598
ASSI { 291}
(( segid " A" and resid 121 and name HN ))
(( segid " A" and resid 121 and name HB ))
3.638 1.819 1.819 peak 291 weight 1.00000E+00 volume -1.56685E+04 ppm1 8.974 ppm2 1.911
ASSI { 292}
(( segid " A" and resid 121 and name HN ))
( segid " A" and resid 121 and name HG2#)
2.922 1.202 1.461 peak 292 weight 1.00000E+00 volume -5.46470E+04 ppm1 8.974 ppm2 0.949
ASSI { 293}
(( segid " A" and resid 116 and name HN ))
(( segid " A" and resid 119 and name HN ))
3.108 1.388 1.554 peak 293 weight 1.00000E+00 volume -7.82899E+05 ppm1 7.953 ppm2 8.870
ASSI { 294}
(( segid " A" and resid 119 and name HN ))
(( segid " A" and resid 119 and name HA ))
2.871 1.151 1.435 peak 294 weight 1.00000E+00 volume -1.26147E+06 ppm1 7.954 ppm2 4.554
ASSI { 295}
(( segid " A" and resid 119 and name HN ))
(( segid " A" and resid 118 and name HA2 ))
3.327 1.607 1.664 peak 295 weight 1.00000E+00 volume -5.20473E+05 ppm1 7.960 ppm2 4.143
ASSI { 296}
(( segid " A" and resid 119 and name HN ))
(( segid " A" and resid 115 and name HA ))
4.132 2.066 2.066 peak 296 weight 1.00000E+00 volume -1.41845E+05 ppm1 7.954 ppm2 5.332
ASSI { 298}
(( segid " A" and resid 119 and name HN ))
(( segid " A" and resid 118 and name HA1 ))
3.560 1.780 1.780 peak 298 weight 1.00000E+00 volume -3.46713E+05 ppm1 7.964 ppm2 3.494
ASSI { 300}
(( segid " A" and resid 119 and name HN ))
(( segid " A" and resid 119 and name HB2 ))
2.715 0.995 1.358 peak 300 weight 1.00000E+00 volume -1.37186E+05 ppm1 7.951 ppm2 1.976
ASSI { 304}
(( segid " A" and resid 116 and name HN ))
(( segid " A" and resid 115 and name HA ))
2.858 1.138 1.429 peak 304 weight 1.00000E+00 volume -8.81469E+04 ppm1 8.853 ppm2 5.338
ASSI { 306}
(( segid " A" and resid 116 and name HN ))
(( segid " A" and resid 120 and name HA ))
3.584 1.792 1.792 peak 306 weight 1.00000E+00 volume -2.39504E+04 ppm1 8.854 ppm2 4.158
ASSI { 307}
(( segid " A" and resid 116 and name HN ))
(( segid " A" and resid 115 and name HB ))
3.325 1.605 1.662 peak 307 weight 1.00000E+00 volume -4.38203E+04 ppm1 8.853 ppm2 3.695
ASSI { 309}
(( segid " A" and resid 116 and name HN ))
( segid " A" and resid 115 and name HG2#)
2.975 1.255 1.487 peak 309 weight 1.00000E+00 volume -6.14215E+04 ppm1 8.860 ppm2 0.901
ASSI { 310}
(( segid " A" and resid 115 and name HN ))
( segid " A" and resid 115 and name HG2#)
3.238 1.518 1.619 peak 310 weight 1.00000E+00 volume -4.11421E+04 ppm1 8.933 ppm2 0.910
ASSI { 312}
(( segid " A" and resid 66 and name HN ))
(( segid " A" and resid 115 and name HN ))
3.192 1.472 1.596 peak 312 weight 1.00000E+00 volume -4.36955E+04 ppm1 8.937 ppm2 8.781
ASSI { 313}
(( segid " A" and resid 115 and name HN ))
(( segid " A" and resid 115 and name HA ))
3.014 1.294 1.507 peak 313 weight 1.00000E+00 volume -9.41214E+05 ppm1 8.942 ppm2 5.351
ASSI { 314}
(( segid " A" and resid 115 and name HN ))
(( segid " A" and resid 114 and name HA ))
2.667 0.947 1.334 peak 314 weight 1.00000E+00 volume -1.96246E+06 ppm1 8.934 ppm2 5.226
ASSI { 315}
(( segid " A" and resid 115 and name HN ))
(( segid " A" and resid 66 and name HA ))
3.304 1.584 1.652 peak 315 weight 1.00000E+00 volume -5.42480E+05 ppm1 8.930 ppm2 4.669
ASSI { 319}
(( segid " A" and resid 114 and name HN ))
(( segid " A" and resid 113 and name HA ))
2.850 1.130 1.425 peak 319 weight 1.00000E+00 volume -9.40863E+04 ppm1 8.496 ppm2 4.415
ASSI { 320}
(( segid " A" and resid 114 and name HN ))
(( segid " A" and resid 114 and name HA ))
3.746 1.873 1.873 peak 320 weight 1.00000E+00 volume -1.94823E+04 ppm1 8.497 ppm2 5.233
ASSI { 321}
(( segid " A" and resid 114 and name HN ))
(( segid " A" and resid 123 and name HA ))
3.273 1.553 1.637 peak 321 weight 1.00000E+00 volume -5.74376E+05 ppm1 8.500 ppm2 4.695
ASSI { 325}
(( segid " A" and resid 68 and name HN ))
(( segid " A" and resid 113 and name HN ))
3.462 1.731 1.731 peak 325 weight 1.00000E+00 volume -4.10521E+05 ppm1 9.074 ppm2 8.796
ASSI { 326}
(( segid " A" and resid 113 and name HN ))
(( segid " A" and resid 112 and name HA ))
2.768 1.048 1.384 peak 326 weight 1.00000E+00 volume -1.04557E+05 ppm1 9.081 ppm2 5.094
ASSI { 328}
(( segid " A" and resid 113 and name HN ))
(( segid " A" and resid 113 and name HA ))
3.146 1.426 1.573 peak 328 weight 1.00000E+00 volume -4.93669E+04 ppm1 9.065 ppm2 4.434
ASSI { 329}
(( segid " A" and resid 112 and name HN ))
(( segid " A" and resid 124 and name HN ))
3.392 1.672 1.696 peak 329 weight 1.00000E+00 volume -2.27625E+04 ppm1 8.054 ppm2 9.175
ASSI { 330}
(( segid " A" and resid 112 and name HN ))
(( segid " A" and resid 112 and name HA ))
3.744 1.872 1.872 peak 330 weight 1.00000E+00 volume -1.92565E+04 ppm1 8.045 ppm2 5.083
ASSI { 331}
(( segid " A" and resid 112 and name HN ))
(( segid " A" and resid 111 and name HA ))
2.641 0.921 1.321 peak 331 weight 1.00000E+00 volume -1.26440E+05 ppm1 8.052 ppm2 4.761
ASSI { 333}
(( segid " A" and resid 112 and name HN ))
(( segid " A" and resid 124 and name HB1 ))
2.984 1.264 1.492 peak 333 weight 1.00000E+00 volume -5.25659E+04 ppm1 8.054 ppm2 1.814
ASSI { 336}
(( segid " A" and resid 111 and name HN ))
(( segid " A" and resid 111 and name HB ))
2.893 1.173 1.446 peak 336 weight 1.00000E+00 volume -7.38076E+04 ppm1 9.055 ppm2 2.037
ASSI { 337}
(( segid " A" and resid 70 and name HN ))
(( segid " A" and resid 111 and name HN ))
2.918 1.198 1.459 peak 337 weight 1.00000E+00 volume -1.14308E+06 ppm1 9.067 ppm2 8.950
ASSI { 338}
(( segid " A" and resid 111 and name HN ))
(( segid " A" and resid 110 and name HA ))
2.587 0.867 1.294 peak 338 weight 1.00000E+00 volume -2.35588E+06 ppm1 9.065 ppm2 5.105
ASSI { 339}
(( segid " A" and resid 111 and name HN ))
(( segid " A" and resid 111 and name HA ))
2.982 1.262 1.491 peak 339 weight 1.00000E+00 volume -1.00473E+06 ppm1 9.061 ppm2 4.768
ASSI { 342}
(( segid " A" and resid 110 and name HA ))
(( segid " A" and resid 110 and name HN ))
3.229 1.509 1.615 peak 342 weight 1.00000E+00 volume -3.05869E+04 ppm1 8.535 ppm2 5.113
ASSI { 344}
(( segid " A" and resid 110 and name HN ))
(( segid " A" and resid 109 and name HA ))
2.495 0.775 1.247 peak 344 weight 1.00000E+00 volume -2.92803E+06 ppm1 8.536 ppm2 4.300
ASSI { 345}
(( segid " A" and resid 110 and name HN ))
(( segid " A" and resid 109 and name HG2 ))
3.086 1.366 1.543 peak 345 weight 1.00000E+00 volume -8.17390E+05 ppm1 8.538 ppm2 2.642
ASSI { 346}
(( segid " A" and resid 110 and name HN ))
(( segid " A" and resid 110 and name HB2 ))
2.528 0.808 1.264 peak 346 weight 1.00000E+00 volume -2.70523E+06 ppm1 8.532 ppm2 2.036
ASSI { 347}
(( segid " A" and resid 110 and name HN ))
(( segid " A" and resid 109 and name HB2 ))
3.296 1.576 1.648 peak 347 weight 1.00000E+00 volume -2.84181E+04 ppm1 8.527 ppm2 2.315
ASSI { 348}
(( segid " A" and resid 108 and name HN ))
(( segid " A" and resid 109 and name HN ))
2.775 1.055 1.387 peak 348 weight 1.00000E+00 volume -1.19169E+05 ppm1 8.109 ppm2 9.109
ASSI { 351}
(( segid " A" and resid 109 and name HA ))
(( segid " A" and resid 109 and name HN ))
2.773 1.053 1.387 peak 351 weight 1.00000E+00 volume -1.07070E+05 ppm1 8.111 ppm2 4.303
ASSI { 353}
(( segid " A" and resid 109 and name HN ))
(( segid " A" and resid 108 and name HA2 ))
3.282 1.562 1.641 peak 353 weight 1.00000E+00 volume -4.82164E+04 ppm1 8.109 ppm2 3.744
ASSI { 354}
(( segid " A" and resid 109 and name HN ))
(( segid " A" and resid 107 and name HA ))
3.480 1.740 1.740 peak 354 weight 1.00000E+00 volume -2.78771E+04 ppm1 8.114 ppm2 3.546
ASSI { 356}
(( segid " A" and resid 109 and name HG2 ))
(( segid " A" and resid 109 and name HN ))
2.992 1.272 1.496 peak 356 weight 1.00000E+00 volume -7.62040E+04 ppm1 8.114 ppm2 2.651
ASSI { 357}
(( segid " A" and resid 109 and name HB2 ))
(( segid " A" and resid 109 and name HN ))
2.623 0.903 1.312 peak 357 weight 1.00000E+00 volume -2.16613E+06 ppm1 8.116 ppm2 2.409
ASSI { 358}
(( segid " A" and resid 109 and name HB1 ))
(( segid " A" and resid 109 and name HN ))
2.656 0.936 1.328 peak 358 weight 1.00000E+00 volume -2.01047E+06 ppm1 8.109 ppm2 2.136
ASSI { 360}
(( segid " A" and resid 110 and name HN ))
(( segid " A" and resid 109 and name HN ))
4.399 2.199 2.199 peak 360 weight 1.00000E+00 volume -9.74853E+04 ppm1 8.116 ppm2 8.532
ASSI { 361}
(( segid " A" and resid 108 and name HN ))
(( segid " A" and resid 109 and name HN ))
3.194 1.474 1.597 peak 361 weight 1.00000E+00 volume -6.65248E+05 ppm1 9.104 ppm2 8.120
ASSI { 364}
(( segid " A" and resid 108 and name HN ))
(( segid " A" and resid 107 and name HA ))
2.817 1.097 1.409 peak 364 weight 1.00000E+00 volume -1.41228E+06 ppm1 9.101 ppm2 3.547
ASSI { 365}
(( segid " A" and resid 108 and name HN ))
(( segid " A" and resid 108 and name HA2 ))
2.980 1.260 1.490 peak 365 weight 1.00000E+00 volume -1.00883E+06 ppm1 9.107 ppm2 3.764
ASSI { 366}
(( segid " A" and resid 108 and name HN ))
(( segid " A" and resid 109 and name HB1 ))
3.424 1.704 1.712 peak 366 weight 1.00000E+00 volume -4.38264E+05 ppm1 9.105 ppm2 2.129
ASSI { 367}
(( segid " A" and resid 108 and name HN ))
(( segid " A" and resid 107 and name HB2 ))
3.197 1.477 1.599 peak 367 weight 1.00000E+00 volume -3.76303E+04 ppm1 9.105 ppm2 1.915
ASSI { 368}
(( segid " A" and resid 107 and name HA ))
(( segid " A" and resid 107 and name HN ))
4.102 2.051 2.051 peak 368 weight 1.00000E+00 volume -1.48155E+05 ppm1 9.097 ppm2 3.549
ASSI { 370}
(( segid " A" and resid 107 and name HN ))
(( segid " A" and resid 107 and name HB2 ))
3.110 1.390 1.555 peak 370 weight 1.00000E+00 volume -4.27425E+04 ppm1 9.095 ppm2 1.907
ASSI { 371}
(( segid " A" and resid 106 and name HN ))
(( segid " A" and resid 106 and name HA ))
3.191 1.471 1.596 peak 371 weight 1.00000E+00 volume -4.89812E+04 ppm1 7.134 ppm2 4.656
ASSI { 373}
(( segid " A" and resid 106 and name HN ))
(( segid " A" and resid 105 and name HA ))
2.573 0.853 1.286 peak 373 weight 1.00000E+00 volume -2.43469E+06 ppm1 7.129 ppm2 4.241
ASSI { 374}
(( segid " A" and resid 109 and name HB2 ))
(( segid " A" and resid 106 and name HN ))
3.174 1.454 1.587 peak 374 weight 1.00000E+00 volume -6.90500E+05 ppm1 7.130 ppm2 2.316
ASSI { 375}
(( segid " A" and resid 106 and name HN ))
(( segid " A" and resid 106 and name HB2 ))
2.988 1.268 1.494 peak 375 weight 1.00000E+00 volume -9.92531E+05 ppm1 7.134 ppm2 1.727
ASSI { 378}
( segid " A" and resid 105 and name HD1#)
(( segid " A" and resid 105 and name HN ))
3.069 1.349 1.535 peak 378 weight 1.00000E+00 volume -5.92971E+04 ppm1 6.709 ppm2 0.414
ASSI { 380}
(( segid " A" and resid 105 and name HN ))
(( segid " A" and resid 105 and name HB2 ))
2.899 1.179 1.449 peak 380 weight 1.00000E+00 volume -7.67758E+04 ppm1 6.709 ppm2 1.207
ASSI { 382}
(( segid " A" and resid 105 and name HN ))
(( segid " A" and resid 102 and name HA ))
3.383 1.663 1.692 peak 382 weight 1.00000E+00 volume -4.36471E+04 ppm1 6.719 ppm2 3.824
ASSI { 383}
(( segid " A" and resid 105 and name HA ))
(( segid " A" and resid 105 and name HN ))
3.357 1.637 1.679 peak 383 weight 1.00000E+00 volume -3.51282E+04 ppm1 6.708 ppm2 4.238
ASSI { 384}
(( segid " A" and resid 105 and name HN ))
(( segid " A" and resid 104 and name HN ))
2.751 1.031 1.376 peak 384 weight 1.00000E+00 volume -1.17308E+05 ppm1 6.712 ppm2 7.336
ASSI { 385}
(( segid " A" and resid 105 and name HN ))
(( segid " A" and resid 104 and name HN ))
2.890 1.170 1.445 peak 385 weight 1.00000E+00 volume -8.47720E+04 ppm1 7.328 ppm2 6.720
ASSI { 387}
(( segid " A" and resid 104 and name HN ))
(( segid " A" and resid 104 and name HA ))
3.000 1.280 1.500 peak 387 weight 1.00000E+00 volume -9.68992E+05 ppm1 7.331 ppm2 4.702
ASSI { 388}
(( segid " A" and resid 104 and name HN ))
(( segid " A" and resid 101 and name HA ))
3.237 1.517 1.619 peak 388 weight 1.00000E+00 volume -6.13339E+05 ppm1 7.334 ppm2 4.000
ASSI { 390}
(( segid " A" and resid 105 and name HB2 ))
(( segid " A" and resid 104 and name HN ))
2.953 1.233 1.476 peak 390 weight 1.00000E+00 volume -1.06598E+06 ppm1 7.335 ppm2 1.186
ASSI { 391}
(( segid " A" and resid 103 and name HN ))
(( segid " A" and resid 102 and name HN ))
3.491 1.745 1.745 peak 391 weight 1.00000E+00 volume -2.93016E+04 ppm1 7.313 ppm2 7.935
ASSI { 394}
(( segid " A" and resid 103 and name HN ))
(( segid " A" and resid 103 and name HA ))
2.987 1.267 1.494 peak 394 weight 1.00000E+00 volume -9.93663E+05 ppm1 7.315 ppm2 4.008
ASSI { 396}
(( segid " A" and resid 105 and name HN ))
(( segid " A" and resid 103 and name HN ))
3.209 1.489 1.604 peak 396 weight 1.00000E+00 volume -3.03914E+04 ppm1 7.321 ppm2 6.767
ASSI { 397}
(( segid " A" and resid 102 and name HN ))
(( segid " A" and resid 101 and name HN ))
3.339 1.619 1.670 peak 397 weight 1.00000E+00 volume -5.03551E+04 ppm1 7.929 ppm2 8.914
ASSI { 398}
(( segid " A" and resid 103 and name HN ))
(( segid " A" and resid 102 and name HN ))
3.558 1.779 1.779 peak 398 weight 1.00000E+00 volume -2.84545E+04 ppm1 7.928 ppm2 7.335
ASSI { 399}
(( segid " A" and resid 102 and name HA ))
(( segid " A" and resid 102 and name HN ))
3.040 1.320 1.520 peak 399 weight 1.00000E+00 volume -5.59510E+04 ppm1 7.928 ppm2 3.807
ASSI { 403}
(( segid " A" and resid 102 and name HN ))
(( segid " A" and resid 102 and name HB2 ))
2.591 0.871 1.295 peak 403 weight 1.00000E+00 volume -1.44488E+05 ppm1 7.930 ppm2 1.584
ASSI { 405}
(( segid " A" and resid 102 and name HN ))
( segid " A" and resid 102 and name HD1#)
3.069 1.349 1.535 peak 405 weight 1.00000E+00 volume -5.74005E+04 ppm1 7.935 ppm2 0.704
ASSI { 406}
( segid " A" and resid 105 and name HD1#)
(( segid " A" and resid 102 and name HN ))
3.289 1.569 1.645 peak 406 weight 1.00000E+00 volume -4.75433E+04 ppm1 7.930 ppm2 0.409
ASSI { 407}
(( segid " A" and resid 102 and name HN ))
(( segid " A" and resid 101 and name HN ))
3.278 1.558 1.639 peak 407 weight 1.00000E+00 volume -5.32013E+04 ppm1 8.905 ppm2 7.927
ASSI { 408}
(( segid " A" and resid 101 and name HN ))
(( segid " A" and resid 100 and name HA ))
2.946 1.226 1.473 peak 408 weight 1.00000E+00 volume -8.09301E+04 ppm1 8.909 ppm2 3.990
ASSI { 411}
(( segid " A" and resid 98 and name HN ))
(( segid " A" and resid 99 and name HN ))
2.723 1.003 1.361 peak 411 weight 1.00000E+00 volume -1.25652E+05 ppm1 7.226 ppm2 7.419
ASSI { 412}
(( segid " A" and resid 99 and name HN ))
(( segid " A" and resid 98 and name HA ))
3.117 1.397 1.558 peak 412 weight 1.00000E+00 volume -6.85701E+04 ppm1 7.220 ppm2 4.838
ASSI { 415}
(( segid " A" and resid 99 and name HN ))
(( segid " A" and resid 99 and name HA ))
2.490 0.770 1.245 peak 415 weight 1.00000E+00 volume -2.32803E+05 ppm1 7.223 ppm2 3.847
ASSI { 417}
(( segid " A" and resid 99 and name HN ))
(( segid " A" and resid 99 and name HB2 ))
2.633 0.913 1.317 peak 417 weight 1.00000E+00 volume -1.30212E+05 ppm1 7.220 ppm2 1.781
ASSI { 418}
(( segid " A" and resid 99 and name HN ))
(( segid " A" and resid 99 and name HG2 ))
2.737 1.017 1.368 peak 418 weight 1.00000E+00 volume -1.68098E+06 ppm1 7.223 ppm2 1.427
ASSI { 420}
(( segid " A" and resid 98 and name HN ))
(( segid " A" and resid 98 and name HA ))
3.279 1.559 1.639 peak 420 weight 1.00000E+00 volume -4.50510E+04 ppm1 7.417 ppm2 4.832
ASSI { 421}
(( segid " A" and resid 98 and name HN ))
(( segid " A" and resid 97 and name HN ))
2.947 1.227 1.473 peak 421 weight 1.00000E+00 volume -7.80806E+04 ppm1 7.427 ppm2 7.866
ASSI { 422}
(( segid " A" and resid 98 and name HN ))
(( segid " A" and resid 99 and name HN ))
3.050 1.330 1.525 peak 422 weight 1.00000E+00 volume -8.77073E+05 ppm1 7.427 ppm2 7.219
ASSI { 423}
(( segid " A" and resid 98 and name HN ))
(( segid " A" and resid 96 and name HA ))
3.237 1.517 1.619 peak 423 weight 1.00000E+00 volume -6.13764E+05 ppm1 7.437 ppm2 4.283
ASSI { 425}
(( segid " A" and resid 98 and name HN ))
(( segid " A" and resid 97 and name HB2 ))
3.169 1.449 1.585 peak 425 weight 1.00000E+00 volume -6.97210E+05 ppm1 7.427 ppm2 3.143
ASSI { 426}
(( segid " A" and resid 98 and name HN ))
(( segid " A" and resid 98 and name HB2 ))
2.767 1.047 1.384 peak 426 weight 1.00000E+00 volume -1.57340E+06 ppm1 7.420 ppm2 1.577
ASSI { 428}
(( segid " A" and resid 98 and name HN ))
( segid " A" and resid 98 and name HD1#)
2.962 1.242 1.481 peak 428 weight 1.00000E+00 volume -1.04494E+06 ppm1 7.437 ppm2 0.668
ASSI { 429}
(( segid " A" and resid 98 and name HN ))
(( segid " A" and resid 97 and name HN ))
2.935 1.215 1.468 peak 429 weight 1.00000E+00 volume -8.05513E+04 ppm1 7.879 ppm2 7.428
ASSI { 431}
(( segid " A" and resid 97 and name HN ))
(( segid " A" and resid 97 and name HA ))
2.779 1.059 1.390 peak 431 weight 1.00000E+00 volume -1.12406E+05 ppm1 7.874 ppm2 4.289
ASSI { 434}
(( segid " A" and resid 97 and name HN ))
(( segid " A" and resid 97 and name HB2 ))
2.811 1.091 1.405 peak 434 weight 1.00000E+00 volume -8.79235E+04 ppm1 7.874 ppm2 3.143
ASSI { 436}
(( segid " A" and resid 97 and name HN ))
(( segid " A" and resid 98 and name HB2 ))
3.374 1.654 1.687 peak 436 weight 1.00000E+00 volume -2.94349E+04 ppm1 7.877 ppm2 1.551
ASSI { 437}
(( segid " A" and resid 95 and name HN ))
(( segid " A" and resid 94 and name HA ))
2.954 1.234 1.477 peak 437 weight 1.00000E+00 volume -6.21497E+04 ppm1 8.756 ppm2 5.247
ASSI { 439}
(( segid " A" and resid 95 and name HN ))
(( segid " A" and resid 95 and name HA ))
3.047 1.327 1.524 peak 439 weight 1.00000E+00 volume -8.81740E+05 ppm1 8.752 ppm2 4.623
ASSI { 441}
(( segid " A" and resid 95 and name HN ))
(( segid " A" and resid 94 and name HB2 ))
2.983 1.263 1.492 peak 441 weight 1.00000E+00 volume -1.00202E+06 ppm1 8.755 ppm2 4.060
ASSI { 442}
(( segid " A" and resid 94 and name HN ))
(( segid " A" and resid 94 and name HA ))
3.409 1.689 1.705 peak 442 weight 1.00000E+00 volume -3.50654E+04 ppm1 8.485 ppm2 5.252
ASSI { 443}
(( segid " A" and resid 94 and name HN ))
(( segid " A" and resid 93 and name HA ))
2.641 0.921 1.320 peak 443 weight 1.00000E+00 volume -1.42030E+05 ppm1 8.488 ppm2 4.858
ASSI { 445}
(( segid " A" and resid 94 and name HB2 ))
(( segid " A" and resid 94 and name HN ))
3.157 1.437 1.578 peak 445 weight 1.00000E+00 volume -5.44802E+04 ppm1 8.492 ppm2 4.041
ASSI { 446}
(( segid " A" and resid 94 and name HN ))
(( segid " A" and resid 93 and name HB2 ))
3.164 1.444 1.582 peak 446 weight 1.00000E+00 volume -7.03900E+05 ppm1 8.489 ppm2 1.555
ASSI { 447}
(( segid " A" and resid 94 and name HN ))
( segid " A" and resid 93 and name HD1#)
3.172 1.452 1.586 peak 447 weight 1.00000E+00 volume -6.93974E+05 ppm1 8.489 ppm2 0.554
ASSI { 448}
(( segid " A" and resid 93 and name HN ))
( segid " A" and resid 93 and name HD1#)
3.397 1.677 1.698 peak 448 weight 1.00000E+00 volume -4.59660E+05 ppm1 9.256 ppm2 0.554
ASSI { 450}
(( segid " A" and resid 93 and name HN ))
(( segid " A" and resid 93 and name HB2 ))
3.354 1.634 1.677 peak 450 weight 1.00000E+00 volume -4.96244E+05 ppm1 9.262 ppm2 1.517
ASSI { 451}
(( segid " A" and resid 93 and name HN ))
(( segid " A" and resid 93 and name HB1 ))
3.418 1.698 1.709 peak 451 weight 1.00000E+00 volume -2.52847E+04 ppm1 9.259 ppm2 1.676
ASSI { 453}
(( segid " A" and resid 93 and name HN ))
(( segid " A" and resid 92 and name HG2 ))
3.661 1.830 1.830 peak 453 weight 1.00000E+00 volume -2.29773E+04 ppm1 9.256 ppm2 2.149
ASSI { 454}
(( segid " A" and resid 93 and name HN ))
(( segid " A" and resid 93 and name HA ))
3.381 1.661 1.690 peak 454 weight 1.00000E+00 volume -3.38049E+04 ppm1 9.256 ppm2 4.843
ASSI { 455}
(( segid " A" and resid 93 and name HN ))
(( segid " A" and resid 92 and name HA ))
2.768 1.048 1.384 peak 455 weight 1.00000E+00 volume -1.57173E+06 ppm1 9.256 ppm2 5.586
ASSI { 456}
(( segid " A" and resid 93 and name HN ))
( segid " A" and resid 82 and name HD# )
3.651 1.825 1.825 peak 456 weight 1.00000E+00 volume -2.98376E+05 ppm1 9.259 ppm2 6.997
ASSI { 457}
(( segid " A" and resid 80 and name HN ))
(( segid " A" and resid 93 and name HN ))
3.384 1.664 1.692 peak 457 weight 1.00000E+00 volume -4.70647E+05 ppm1 9.262 ppm2 9.053
ASSI { 458}
(( segid " A" and resid 92 and name HA ))
(( segid " A" and resid 92 and name HN ))
3.626 1.813 1.813 peak 458 weight 1.00000E+00 volume -2.33780E+04 ppm1 8.252 ppm2 5.601
ASSI { 459}
(( segid " A" and resid 92 and name HN ))
(( segid " A" and resid 91 and name HA ))
2.608 0.888 1.304 peak 459 weight 1.00000E+00 volume -1.56834E+05 ppm1 8.263 ppm2 4.575
ASSI { 460}
(( segid " A" and resid 92 and name HG2 ))
(( segid " A" and resid 92 and name HN ))
3.226 1.506 1.613 peak 460 weight 1.00000E+00 volume -6.26303E+05 ppm1 8.253 ppm2 2.153
ASSI { 461}
(( segid " A" and resid 92 and name HN ))
(( segid " A" and resid 92 and name HB2 ))
2.930 1.210 1.465 peak 461 weight 1.00000E+00 volume -1.11570E+06 ppm1 8.253 ppm2 1.934
ASSI { 462}
(( segid " A" and resid 92 and name HN ))
( segid " A" and resid 91 and name HG2#)
3.342 1.622 1.671 peak 462 weight 1.00000E+00 volume -5.06779E+05 ppm1 8.260 ppm2 0.969
ASSI { 463}
(( segid " A" and resid 91 and name HN ))
( segid " A" and resid 91 and name HG2#)
3.350 1.630 1.675 peak 463 weight 1.00000E+00 volume -3.92146E+04 ppm1 8.930 ppm2 0.965
ASSI { 464}
(( segid " A" and resid 91 and name HN ))
( segid " A" and resid 81 and name HG1#)
3.128 1.408 1.564 peak 464 weight 1.00000E+00 volume -5.09388E+04 ppm1 8.927 ppm2 0.704
ASSI { 465}
(( segid " A" and resid 91 and name HN ))
(( segid " A" and resid 90 and name HB2 ))
2.765 1.045 1.382 peak 465 weight 1.00000E+00 volume -9.40277E+04 ppm1 8.930 ppm2 1.964
ASSI { 466}
(( segid " A" and resid 91 and name HN ))
(( segid " A" and resid 91 and name HB ))
3.222 1.502 1.611 peak 466 weight 1.00000E+00 volume -6.31722E+05 ppm1 8.931 ppm2 3.768
ASSI { 467}
(( segid " A" and resid 91 and name HN ))
(( segid " A" and resid 91 and name HA ))
3.245 1.525 1.622 peak 467 weight 1.00000E+00 volume -6.05263E+05 ppm1 8.936 ppm2 4.577
ASSI { 468}
(( segid " A" and resid 91 and name HN ))
(( segid " A" and resid 83 and name HA ))
3.481 1.740 1.740 peak 468 weight 1.00000E+00 volume -3.97126E+05 ppm1 8.938 ppm2 5.175
ASSI { 469}
(( segid " A" and resid 91 and name HN ))
(( segid " A" and resid 90 and name HA ))
2.698 0.978 1.349 peak 469 weight 1.00000E+00 volume -1.83124E+06 ppm1 8.930 ppm2 5.452
ASSI { 470}
(( segid " A" and resid 89 and name HN ))
(( segid " A" and resid 84 and name HN ))
3.880 1.940 1.940 peak 470 weight 1.00000E+00 volume -2.06917E+05 ppm1 7.659 ppm2 8.691
ASSI { 471}
(( segid " A" and resid 88 and name HN ))
(( segid " A" and resid 89 and name HN ))
3.570 1.785 1.785 peak 471 weight 1.00000E+00 volume -3.40889E+05 ppm1 7.654 ppm2 7.930
ASSI { 473}
(( segid " A" and resid 89 and name HN ))
(( segid " A" and resid 89 and name HA ))
2.865 1.145 1.432 peak 473 weight 1.00000E+00 volume -7.36935E+04 ppm1 7.661 ppm2 4.352
ASSI { 475}
(( segid " A" and resid 89 and name HN ))
(( segid " A" and resid 89 and name HB2 ))
2.841 1.121 1.420 peak 475 weight 1.00000E+00 volume -9.77535E+04 ppm1 7.664 ppm2 1.993
ASSI { 476}
(( segid " A" and resid 89 and name HN ))
(( segid " A" and resid 89 and name HB1 ))
2.698 0.978 1.349 peak 476 weight 1.00000E+00 volume -1.35110E+05 ppm1 7.659 ppm2 1.793
ASSI { 477}
(( segid " A" and resid 89 and name HN ))
(( segid " A" and resid 89 and name HG2 ))
2.875 1.155 1.438 peak 477 weight 1.00000E+00 volume -1.24998E+06 ppm1 7.653 ppm2 2.274
ASSI { 478}
(( segid " A" and resid 89 and name HN ))
(( segid " A" and resid 84 and name HB2 ))
3.461 1.730 1.730 peak 478 weight 1.00000E+00 volume -4.11170E+05 ppm1 7.653 ppm2 2.517
ASSI { 480}
(( segid " A" and resid 88 and name HN ))
(( segid " A" and resid 89 and name HN ))
3.806 1.903 1.903 peak 480 weight 1.00000E+00 volume -2.00850E+04 ppm1 7.939 ppm2 7.652
ASSI { 482}
(( segid " A" and resid 88 and name HN ))
(( segid " A" and resid 88 and name HA ))
2.906 1.186 1.453 peak 482 weight 1.00000E+00 volume -6.19225E+04 ppm1 7.935 ppm2 4.432
ASSI { 488}
(( segid " A" and resid 87 and name HN ))
(( segid " A" and resid 86 and name HN ))
3.017 1.297 1.509 peak 488 weight 1.00000E+00 volume -5.86329E+04 ppm1 8.071 ppm2 8.726
ASSI { 489}
(( segid " A" and resid 88 and name HN ))
(( segid " A" and resid 87 and name HN ))
3.075 1.355 1.538 peak 489 weight 1.00000E+00 volume -2.97137E+04 ppm1 8.067 ppm2 7.958
ASSI { 492}
(( segid " A" and resid 87 and name HN ))
(( segid " A" and resid 87 and name HB2 ))
3.554 1.777 1.777 peak 492 weight 1.00000E+00 volume -2.58358E+04 ppm1 8.069 ppm2 3.670
ASSI { 494}
(( segid " A" and resid 87 and name HN ))
(( segid " A" and resid 86 and name HB2 ))
3.054 1.334 1.527 peak 494 weight 1.00000E+00 volume -5.91484E+04 ppm1 8.076 ppm2 1.988
ASSI { 495}
(( segid " A" and resid 87 and name HN ))
(( segid " A" and resid 86 and name HN ))
3.007 1.287 1.503 peak 495 weight 1.00000E+00 volume -9.55840E+05 ppm1 8.723 ppm2 8.077
ASSI { 497}
(( segid " A" and resid 86 and name HN ))
(( segid " A" and resid 86 and name HB2 ))
2.727 1.007 1.363 peak 497 weight 1.00000E+00 volume -1.71860E+06 ppm1 8.711 ppm2 1.973
ASSI { 499}
(( segid " A" and resid 90 and name HA ))
(( segid " A" and resid 84 and name HN ))
3.493 1.747 1.747 peak 499 weight 1.00000E+00 volume -3.88741E+05 ppm1 8.686 ppm2 5.449
ASSI { 500}
(( segid " A" and resid 83 and name HA ))
(( segid " A" and resid 84 and name HN ))
2.865 1.145 1.432 peak 500 weight 1.00000E+00 volume -1.27813E+06 ppm1 8.683 ppm2 5.169
ASSI { 502}
(( segid " A" and resid 84 and name HN ))
(( segid " A" and resid 84 and name HB2 ))
3.055 1.335 1.527 peak 502 weight 1.00000E+00 volume -8.69196E+05 ppm1 8.686 ppm2 2.498
ASSI { 505}
(( segid " A" and resid 84 and name HN ))
(( segid " A" and resid 89 and name HB2 ))
3.212 1.492 1.606 peak 505 weight 1.00000E+00 volume -6.43576E+05 ppm1 8.684 ppm2 2.020
ASSI { 507}
(( segid " A" and resid 83 and name HN ))
(( segid " A" and resid 71 and name HN ))
3.297 1.577 1.648 peak 507 weight 1.00000E+00 volume -5.49890E+05 ppm1 9.324 ppm2 9.080
ASSI { 509}
(( segid " A" and resid 83 and name HN ))
( segid " A" and resid 82 and name HD# )
3.537 1.768 1.768 peak 509 weight 1.00000E+00 volume -2.34649E+04 ppm1 9.324 ppm2 7.020
ASSI { 510}
(( segid " A" and resid 83 and name HN ))
(( segid " A" and resid 83 and name HA ))
2.811 1.091 1.406 peak 510 weight 1.00000E+00 volume -9.04249E+04 ppm1 9.313 ppm2 5.181
ASSI { 511}
(( segid " A" and resid 83 and name HN ))
(( segid " A" and resid 82 and name HA ))
3.047 1.327 1.524 peak 511 weight 1.00000E+00 volume -5.61989E+04 ppm1 9.324 ppm2 5.353
ASSI { 514}
(( segid " A" and resid 83 and name HN ))
(( segid " A" and resid 71 and name HB2 ))
3.065 1.345 1.532 peak 514 weight 1.00000E+00 volume -5.29775E+04 ppm1 9.326 ppm2 2.011
ASSI { 515}
(( segid " A" and resid 83 and name HN ))
(( segid " A" and resid 70 and name HB1 ))
3.057 1.337 1.529 peak 515 weight 1.00000E+00 volume -5.51111E+04 ppm1 9.322 ppm2 1.801
ASSI { 516}
(( segid " A" and resid 83 and name HN ))
( segid " A" and resid 81 and name HG1#)
3.322 1.602 1.661 peak 516 weight 1.00000E+00 volume -3.33179E+04 ppm1 9.324 ppm2 0.708
ASSI { 518}
(( segid " A" and resid 82 and name HN ))
( segid " A" and resid 82 and name HD# )
3.239 1.519 1.620 peak 518 weight 1.00000E+00 volume -4.01558E+04 ppm1 9.056 ppm2 7.004
ASSI { 520}
(( segid " A" and resid 82 and name HN ))
(( segid " A" and resid 81 and name HA ))
2.935 1.215 1.468 peak 520 weight 1.00000E+00 volume -7.11653E+04 ppm1 9.047 ppm2 4.434
ASSI { 522}
(( segid " A" and resid 82 and name HN ))
( segid " A" and resid 81 and name HG1#)
2.846 1.126 1.423 peak 522 weight 1.00000E+00 volume -8.08011E+04 ppm1 9.056 ppm2 0.712
ASSI { 523}
(( segid " A" and resid 73 and name HN ))
( segid " A" and resid 81 and name HG1#)
3.313 1.593 1.656 peak 523 weight 1.00000E+00 volume -5.34416E+05 ppm1 8.778 ppm2 0.709
ASSI { 525}
(( segid " A" and resid 81 and name HN ))
( segid " A" and resid 81 and name HG1#)
2.786 1.066 1.393 peak 525 weight 1.00000E+00 volume -1.51082E+06 ppm1 8.487 ppm2 0.716
ASSI { 528}
(( segid " A" and resid 81 and name HN ))
(( segid " A" and resid 80 and name HA ))
2.590 0.870 1.295 peak 528 weight 1.00000E+00 volume -2.33781E+06 ppm1 8.476 ppm2 4.555
ASSI { 529}
(( segid " A" and resid 81 and name HN ))
(( segid " A" and resid 74 and name HN ))
3.454 1.727 1.727 peak 529 weight 1.00000E+00 volume -4.15783E+05 ppm1 8.484 ppm2 6.342
ASSI { 531}
(( segid " A" and resid 80 and name HN ))
(( segid " A" and resid 93 and name HN ))
3.394 1.674 1.697 peak 531 weight 1.00000E+00 volume -2.67003E+04 ppm1 9.043 ppm2 9.267
ASSI { 534}
(( segid " A" and resid 80 and name HN ))
(( segid " A" and resid 79 and name HA ))
2.673 0.953 1.337 peak 534 weight 1.00000E+00 volume -9.31028E+04 ppm1 9.036 ppm2 5.204
ASSI { 536}
(( segid " A" and resid 80 and name HN ))
(( segid " A" and resid 80 and name HA ))
3.440 1.720 1.720 peak 536 weight 1.00000E+00 volume -4.26280E+05 ppm1 9.044 ppm2 4.558
ASSI { 538}
(( segid " A" and resid 80 and name HN ))
(( segid " A" and resid 79 and name HB2 ))
3.326 1.606 1.663 peak 538 weight 1.00000E+00 volume -5.22115E+05 ppm1 9.046 ppm2 2.839
ASSI { 539}
(( segid " A" and resid 80 and name HN ))
(( segid " A" and resid 79 and name HB1 ))
3.269 1.549 1.634 peak 539 weight 1.00000E+00 volume -5.78973E+05 ppm1 9.042 ppm2 2.447
ASSI { 541}
(( segid " A" and resid 76 and name HN ))
(( segid " A" and resid 79 and name HN ))
3.540 1.770 1.770 peak 541 weight 1.00000E+00 volume -3.04969E+04 ppm1 7.732 ppm2 8.832
ASSI { 542}
(( segid " A" and resid 79 and name HN ))
(( segid " A" and resid 79 and name HA ))
2.973 1.253 1.487 peak 542 weight 1.00000E+00 volume -6.83555E+04 ppm1 7.731 ppm2 5.201
ASSI { 544}
(( segid " A" and resid 79 and name HN ))
(( segid " A" and resid 79 and name HB2 ))
2.724 1.004 1.362 peak 544 weight 1.00000E+00 volume -1.17578E+05 ppm1 7.728 ppm2 2.821
ASSI { 545}
(( segid " A" and resid 79 and name HN ))
(( segid " A" and resid 79 and name HB1 ))
2.895 1.175 1.447 peak 545 weight 1.00000E+00 volume -8.71305E+04 ppm1 7.728 ppm2 2.440
ASSI { 546}
(( segid " A" and resid 81 and name HN ))
(( segid " A" and resid 76 and name HN ))
3.596 1.798 1.798 peak 546 weight 1.00000E+00 volume -2.66546E+04 ppm1 8.827 ppm2 8.454
ASSI { 547}
(( segid " A" and resid 76 and name HN ))
(( segid " A" and resid 80 and name HA ))
3.203 1.483 1.602 peak 547 weight 1.00000E+00 volume -5.34645E+04 ppm1 8.827 ppm2 4.577
ASSI { 549}
(( segid " A" and resid 76 and name HN ))
(( segid " A" and resid 76 and name HB2 ))
3.245 1.525 1.622 peak 549 weight 1.00000E+00 volume -6.04972E+05 ppm1 8.825 ppm2 2.386
ASSI { 550}
(( segid " A" and resid 76 and name HN ))
( segid " A" and resid 75 and name HB# )
2.933 1.213 1.467 peak 550 weight 1.00000E+00 volume -1.10843E+06 ppm1 8.830 ppm2 1.278
ASSI { 551}
(( segid " A" and resid 76 and name HN ))
(( segid " A" and resid 76 and name HB1 ))
3.149 1.429 1.574 peak 551 weight 1.00000E+00 volume -7.24820E+05 ppm1 8.827 ppm2 2.708
ASSI { 553}
(( segid " A" and resid 74 and name HN ))
( segid " A" and resid 74 and name HE# )
3.438 1.718 1.719 peak 553 weight 1.00000E+00 volume -4.27684E+05 ppm1 6.319 ppm2 6.603
ASSI { 554}
(( segid " A" and resid 75 and name HA ))
(( segid " A" and resid 75 and name HN ))
2.543 0.823 1.272 peak 554 weight 1.00000E+00 volume -1.90705E+05 ppm1 8.414 ppm2 4.711
ASSI { 555}
(( segid " A" and resid 74 and name HN ))
(( segid " A" and resid 74 and name HA ))
2.747 1.027 1.374 peak 555 weight 1.00000E+00 volume -1.10610E+05 ppm1 6.328 ppm2 4.192
ASSI { 556}
(( segid " A" and resid 75 and name HN ))
(( segid " A" and resid 74 and name HA ))
2.361 0.641 1.181 peak 556 weight 1.00000E+00 volume -2.48216E+05 ppm1 8.414 ppm2 4.221
ASSI { 557}
(( segid " A" and resid 75 and name HN ))
(( segid " A" and resid 74 and name HB2 ))
3.030 1.310 1.515 peak 557 weight 1.00000E+00 volume -6.59744E+04 ppm1 8.414 ppm2 3.343
ASSI { 558}
(( segid " A" and resid 75 and name HN ))
(( segid " A" and resid 74 and name HB1 ))
2.886 1.166 1.443 peak 558 weight 1.00000E+00 volume -9.12326E+04 ppm1 8.414 ppm2 2.845
ASSI { 559}
(( segid " A" and resid 74 and name HN ))
(( segid " A" and resid 74 and name HB2 ))
3.796 1.898 1.898 peak 559 weight 1.00000E+00 volume -2.52461E+04 ppm1 6.323 ppm2 3.331
ASSI { 560}
(( segid " A" and resid 74 and name HN ))
(( segid " A" and resid 74 and name HB1 ))
3.706 1.853 1.853 peak 560 weight 1.00000E+00 volume -2.79171E+04 ppm1 6.323 ppm2 2.824
ASSI { 561}
( segid " A" and resid 75 and name HB# )
(( segid " A" and resid 75 and name HN ))
2.704 0.984 1.352 peak 561 weight 1.00000E+00 volume -1.19262E+05 ppm1 8.418 ppm2 1.272
ASSI { 562}
(( segid " A" and resid 73 and name HN ))
(( segid " A" and resid 74 and name HN ))
3.023 1.303 1.512 peak 562 weight 1.00000E+00 volume -6.52801E+04 ppm1 6.323 ppm2 8.791
ASSI { 563}
(( segid " A" and resid 81 and name HN ))
(( segid " A" and resid 74 and name HN ))
3.458 1.729 1.729 peak 563 weight 1.00000E+00 volume -3.18149E+04 ppm1 6.323 ppm2 8.464
ASSI { 566}
(( segid " A" and resid 81 and name HN ))
(( segid " A" and resid 81 and name HB ))
2.886 1.166 1.443 peak 566 weight 1.00000E+00 volume -1.22226E+06 ppm1 8.480 ppm2 2.043
ASSI { 568}
(( segid " A" and resid 73 and name HN ))
( segid " A" and resid 73 and name HD2#)
3.651 1.825 1.825 peak 568 weight 1.00000E+00 volume -1.49788E+04 ppm1 8.778 ppm2 0.950
ASSI { 569}
(( segid " A" and resid 73 and name HN ))
( segid " A" and resid 73 and name HD1#)
3.518 1.759 1.759 peak 569 weight 1.00000E+00 volume -3.72795E+05 ppm1 8.778 ppm2 1.102
ASSI { 570}
(( segid " A" and resid 73 and name HN ))
(( segid " A" and resid 74 and name HA ))
3.123 1.403 1.561 peak 570 weight 1.00000E+00 volume -7.61635E+05 ppm1 8.781 ppm2 4.183
ASSI { 571}
(( segid " A" and resid 73 and name HN ))
(( segid " A" and resid 82 and name HA ))
3.450 1.725 1.725 peak 571 weight 1.00000E+00 volume -4.18711E+05 ppm1 8.776 ppm2 5.356
ASSI { 573}
(( segid " A" and resid 73 and name HN ))
(( segid " A" and resid 74 and name HN ))
3.400 1.680 1.700 peak 573 weight 1.00000E+00 volume -4.57571E+05 ppm1 8.781 ppm2 6.346
ASSI { 578}
(( segid " A" and resid 72 and name HN ))
(( segid " A" and resid 72 and name HB2 ))
2.915 1.195 1.458 peak 578 weight 1.00000E+00 volume -1.15029E+06 ppm1 9.125 ppm2 2.714
ASSI { 579}
(( segid " A" and resid 83 and name HN ))
(( segid " A" and resid 71 and name HN ))
3.364 1.644 1.682 peak 579 weight 1.00000E+00 volume -4.87746E+05 ppm1 9.086 ppm2 9.334
ASSI { 582}
(( segid " A" and resid 71 and name HN ))
(( segid " A" and resid 71 and name HA ))
2.909 1.189 1.455 peak 582 weight 1.00000E+00 volume -4.76221E+04 ppm1 9.083 ppm2 5.239
ASSI { 584}
(( segid " A" and resid 71 and name HN ))
(( segid " A" and resid 71 and name HB2 ))
2.758 1.038 1.379 peak 584 weight 1.00000E+00 volume -9.99695E+04 ppm1 9.088 ppm2 1.996
ASSI { 585}
(( segid " A" and resid 71 and name HN ))
(( segid " A" and resid 71 and name HB1 ))
3.002 1.282 1.501 peak 585 weight 1.00000E+00 volume -5.96512E+04 ppm1 9.088 ppm2 1.815
ASSI { 586}
(( segid " A" and resid 71 and name HN ))
(( segid " A" and resid 70 and name HB2 ))
3.407 1.687 1.703 peak 586 weight 1.00000E+00 volume -4.51698E+05 ppm1 9.088 ppm2 1.601
ASSI { 587}
(( segid " A" and resid 71 and name HN ))
(( segid " A" and resid 71 and name HG2 ))
3.369 1.649 1.685 peak 587 weight 1.00000E+00 volume -4.82795E+05 ppm1 9.077 ppm2 2.214
ASSI { 589}
(( segid " A" and resid 70 and name HN ))
(( segid " A" and resid 111 and name HN ))
2.936 1.216 1.468 peak 589 weight 1.00000E+00 volume -1.10326E+06 ppm1 8.914 ppm2 9.046
ASSI { 590}
(( segid " A" and resid 113 and name HN ))
(( segid " A" and resid 70 and name HN ))
3.130 1.410 1.565 peak 590 weight 1.00000E+00 volume -7.51521E+05 ppm1 8.914 ppm2 9.085
ASSI { 591}
(( segid " A" and resid 70 and name HN ))
(( segid " A" and resid 70 and name HA ))
3.060 1.340 1.530 peak 591 weight 1.00000E+00 volume -8.59719E+05 ppm1 8.912 ppm2 5.159
ASSI { 592}
(( segid " A" and resid 70 and name HN ))
(( segid " A" and resid 69 and name HA ))
2.586 0.866 1.293 peak 592 weight 1.00000E+00 volume -2.36352E+06 ppm1 8.916 ppm2 4.719
ASSI { 593}
(( segid " A" and resid 70 and name HN ))
(( segid " A" and resid 70 and name HB1 ))
2.934 1.214 1.467 peak 593 weight 1.00000E+00 volume -7.15811E+04 ppm1 8.921 ppm2 1.797
ASSI { 594}
(( segid " A" and resid 70 and name HN ))
(( segid " A" and resid 70 and name HB2 ))
3.033 1.313 1.517 peak 594 weight 1.00000E+00 volume -5.15632E+04 ppm1 8.921 ppm2 1.619
ASSI { 599}
(( segid " A" and resid 69 and name HN ))
(( segid " A" and resid 68 and name HA ))
2.731 1.011 1.366 peak 599 weight 1.00000E+00 volume -1.70085E+06 ppm1 8.688 ppm2 4.637
ASSI { 600}
(( segid " A" and resid 68 and name HN ))
(( segid " A" and resid 113 and name HN ))
3.370 1.650 1.685 peak 600 weight 1.00000E+00 volume -4.82271E+05 ppm1 8.789 ppm2 9.067
ASSI { 601}
(( segid " A" and resid 68 and name HN ))
(( segid " A" and resid 67 and name HA ))
2.644 0.924 1.322 peak 601 weight 1.00000E+00 volume -2.06541E+06 ppm1 8.784 ppm2 5.365
ASSI { 603}
(( segid " A" and resid 68 and name HN ))
(( segid " A" and resid 68 and name HB2 ))
3.085 1.365 1.542 peak 603 weight 1.00000E+00 volume -8.20037E+05 ppm1 8.793 ppm2 1.801
ASSI { 604}
(( segid " A" and resid 68 and name HN ))
(( segid " A" and resid 68 and name HG2 ))
2.913 1.193 1.457 peak 604 weight 1.00000E+00 volume -1.15574E+06 ppm1 8.788 ppm2 1.608
ASSI { 605}
(( segid " A" and resid 68 and name HN ))
(( segid " A" and resid 67 and name HB2 ))
3.576 1.788 1.788 peak 605 weight 1.00000E+00 volume -3.37610E+05 ppm1 8.786 ppm2 2.581
ASSI { 606}
(( segid " A" and resid 37 and name HN ))
(( segid " A" and resid 56 and name HN ))
4.262 2.131 2.131 peak 606 weight 1.00000E+00 volume -1.17805E+05 ppm1 7.983 ppm2 9.319
ASSI { 607}
(( segid " A" and resid 56 and name HN ))
(( segid " A" and resid 36 and name HA ))
3.336 1.616 1.668 peak 607 weight 1.00000E+00 volume -3.79225E+04 ppm1 7.980 ppm2 5.173
ASSI { 608}
(( segid " A" and resid 56 and name HN ))
(( segid " A" and resid 55 and name HA ))
2.879 1.159 1.440 peak 608 weight 1.00000E+00 volume -9.41160E+04 ppm1 7.980 ppm2 4.409
ASSI { 610}
(( segid " A" and resid 56 and name HN ))
(( segid " A" and resid 36 and name HB2 ))
3.846 1.923 1.923 peak 610 weight 1.00000E+00 volume -1.84139E+04 ppm1 7.975 ppm2 3.050
ASSI { 611}
(( segid " A" and resid 56 and name HN ))
( segid " A" and resid 56 and name HB# )
2.886 1.166 1.443 peak 611 weight 1.00000E+00 volume -1.22132E+06 ppm1 7.977 ppm2 1.300
ASSI { 614}
(( segid " A" and resid 56 and name HN ))
(( segid " A" and resid 56 and name HA ))
2.580 0.860 1.290 peak 614 weight 1.00000E+00 volume -2.39395E+06 ppm1 7.975 ppm2 4.690
ASSI { 615}
(( segid " A" and resid 55 and name HN ))
( segid " A" and resid 54 and name HD# )
3.711 1.856 1.856 peak 615 weight 1.00000E+00 volume -1.97160E+04 ppm1 9.307 ppm2 7.026
ASSI { 616}
(( segid " A" and resid 55 and name HA ))
(( segid " A" and resid 55 and name HN ))
3.771 1.885 1.885 peak 616 weight 1.00000E+00 volume -1.97691E+04 ppm1 9.319 ppm2 4.399
ASSI { 617}
(( segid " A" and resid 55 and name HN ))
(( segid " A" and resid 54 and name HA ))
2.623 0.903 1.312 peak 617 weight 1.00000E+00 volume -1.26205E+05 ppm1 9.319 ppm2 4.784
ASSI { 618}
(( segid " A" and resid 55 and name HN ))
(( segid " A" and resid 54 and name HB2 ))
3.604 1.802 1.802 peak 618 weight 1.00000E+00 volume -2.74288E+04 ppm1 9.314 ppm2 2.979
ASSI { 622}
(( segid " A" and resid 54 and name HN ))
( segid " A" and resid 54 and name HD# )
2.919 1.199 1.460 peak 622 weight 1.00000E+00 volume -8.27881E+04 ppm1 9.037 ppm2 7.037
ASSI { 623}
(( segid " A" and resid 54 and name HN ))
( segid " A" and resid 54 and name HE# )
4.549 2.275 2.275 peak 623 weight 1.00000E+00 volume -1.14874E+04 ppm1 9.043 ppm2 7.176
ASSI { 624}
(( segid " A" and resid 54 and name HN ))
(( segid " A" and resid 53 and name HA ))
2.533 0.813 1.266 peak 624 weight 1.00000E+00 volume -2.67499E+06 ppm1 9.041 ppm2 5.188
ASSI { 625}
(( segid " A" and resid 54 and name HN ))
(( segid " A" and resid 54 and name HA ))
3.126 1.406 1.563 peak 625 weight 1.00000E+00 volume -7.57487E+05 ppm1 9.045 ppm2 4.819
ASSI { 626}
(( segid " A" and resid 54 and name HN ))
(( segid " A" and resid 54 and name HB2 ))
3.162 1.442 1.581 peak 626 weight 1.00000E+00 volume -7.06281E+05 ppm1 9.037 ppm2 2.987
ASSI { 630}
(( segid " A" and resid 54 and name HN ))
( segid " A" and resid 37 and name HG1#)
3.281 1.561 1.641 peak 630 weight 1.00000E+00 volume -5.65803E+05 ppm1 9.043 ppm2 0.570
ASSI { 632}
(( segid " A" and resid 52 and name HN ))
(( segid " A" and resid 51 and name HA ))
2.452 0.732 1.226 peak 632 weight 1.00000E+00 volume -3.24736E+06 ppm1 8.551 ppm2 5.182
ASSI { 633}
(( segid " A" and resid 52 and name HN ))
(( segid " A" and resid 40 and name HA ))
2.855 1.135 1.428 peak 633 weight 1.00000E+00 volume -1.30347E+06 ppm1 8.551 ppm2 4.730
ASSI { 634}
(( segid " A" and resid 52 and name HN ))
(( segid " A" and resid 52 and name HA ))
3.211 1.491 1.605 peak 634 weight 1.00000E+00 volume -6.44539E+05 ppm1 8.559 ppm2 4.407
ASSI { 637}
(( segid " A" and resid 52 and name HN ))
(( segid " A" and resid 52 and name HD2 ))
3.455 1.728 1.728 peak 637 weight 1.00000E+00 volume -4.14980E+05 ppm1 8.560 ppm2 1.577
ASSI { 638}
(( segid " A" and resid 52 and name HN ))
(( segid " A" and resid 52 and name HB2 ))
2.907 1.187 1.454 peak 638 weight 1.00000E+00 volume -5.82882E+04 ppm1 8.555 ppm2 1.920
ASSI { 642}
(( segid " A" and resid 40 and name HN ))
(( segid " A" and resid 39 and name HA ))
2.601 0.881 1.300 peak 642 weight 1.00000E+00 volume -1.60599E+05 ppm1 8.609 ppm2 5.398
ASSI { 644}
(( segid " A" and resid 51 and name HN ))
(( segid " A" and resid 50 and name HA ))
2.974 1.254 1.487 peak 644 weight 1.00000E+00 volume -1.02144E+06 ppm1 8.623 ppm2 4.770
ASSI { 647}
(( segid " A" and resid 51 and name HN ))
(( segid " A" and resid 51 and name HB2 ))
3.153 1.433 1.577 peak 647 weight 1.00000E+00 volume -7.18337E+05 ppm1 8.607 ppm2 1.741
ASSI { 648}
(( segid " A" and resid 41 and name HN ))
(( segid " A" and resid 50 and name HN ))
3.448 1.724 1.724 peak 648 weight 1.00000E+00 volume -4.20544E+05 ppm1 9.280 ppm2 9.015
ASSI { 649}
(( segid " A" and resid 50 and name HN ))
(( segid " A" and resid 49 and name HA ))
2.478 0.758 1.239 peak 649 weight 1.00000E+00 volume -3.05127E+06 ppm1 9.280 ppm2 5.406
ASSI { 650}
(( segid " A" and resid 50 and name HN ))
(( segid " A" and resid 50 and name HA ))
2.964 1.244 1.482 peak 650 weight 1.00000E+00 volume -1.04210E+06 ppm1 9.288 ppm2 4.742
ASSI { 652}
(( segid " A" and resid 50 and name HN ))
(( segid " A" and resid 50 and name HB2 ))
2.839 1.119 1.420 peak 652 weight 1.00000E+00 volume -1.34837E+06 ppm1 9.275 ppm2 1.856
ASSI { 653}
( segid " A" and resid 49 and name HD1#)
(( segid " A" and resid 49 and name HN ))
2.966 1.246 1.483 peak 653 weight 1.00000E+00 volume -1.03759E+06 ppm1 8.430 ppm2 0.844
ASSI { 654}
(( segid " A" and resid 49 and name HN ))
( segid " A" and resid 48 and name HB# )
2.725 1.005 1.363 peak 654 weight 1.00000E+00 volume -1.14938E+05 ppm1 8.425 ppm2 1.407
ASSI { 655}
(( segid " A" and resid 49 and name HN ))
(( segid " A" and resid 49 and name HB ))
2.711 0.991 1.356 peak 655 weight 1.00000E+00 volume -1.13700E+05 ppm1 8.435 ppm2 1.821
ASSI { 657}
(( segid " A" and resid 49 and name HN ))
(( segid " A" and resid 48 and name HA ))
2.314 0.594 1.157 peak 657 weight 1.00000E+00 volume -2.91597E+05 ppm1 8.428 ppm2 4.269
ASSI { 658}
(( segid " A" and resid 49 and name HA ))
(( segid " A" and resid 49 and name HN ))
3.550 1.775 1.775 peak 658 weight 1.00000E+00 volume -2.25415E+04 ppm1 8.432 ppm2 5.411
ASSI { 659}
(( segid " A" and resid 48 and name HN ))
(( segid " A" and resid 47 and name HN ))
3.178 1.458 1.589 peak 659 weight 1.00000E+00 volume -6.85423E+05 ppm1 7.516 ppm2 8.328
ASSI { 661}
(( segid " A" and resid 48 and name HN ))
(( segid " A" and resid 48 and name HA ))
2.735 1.015 1.368 peak 661 weight 1.00000E+00 volume -1.68727E+06 ppm1 7.530 ppm2 4.272
ASSI { 662}
(( segid " A" and resid 48 and name HN ))
(( segid " A" and resid 47 and name HA2 ))
3.530 1.765 1.765 peak 662 weight 1.00000E+00 volume -3.28436E+04 ppm1 7.523 ppm2 3.629
ASSI { 663}
(( segid " A" and resid 48 and name HN ))
(( segid " A" and resid 43 and name HB2 ))
3.267 1.547 1.634 peak 663 weight 1.00000E+00 volume -5.80610E+05 ppm1 7.523 ppm2 2.908
ASSI { 665}
(( segid " A" and resid 48 and name HN ))
( segid " A" and resid 48 and name HB# )
2.465 0.745 1.233 peak 665 weight 1.00000E+00 volume -3.14440E+06 ppm1 7.520 ppm2 1.398
ASSI { 666}
(( segid " A" and resid 48 and name HN ))
(( segid " A" and resid 47 and name HN ))
3.224 1.504 1.612 peak 666 weight 1.00000E+00 volume -4.56476E+04 ppm1 8.317 ppm2 7.526
ASSI { 667}
(( segid " A" and resid 47 and name HN ))
(( segid " A" and resid 46 and name HN ))
3.113 1.393 1.557 peak 667 weight 1.00000E+00 volume -5.53374E+04 ppm1 8.314 ppm2 7.307
ASSI { 669}
(( segid " A" and resid 47 and name HN ))
(( segid " A" and resid 47 and name HA2 ))
2.925 1.205 1.462 peak 669 weight 1.00000E+00 volume -1.12792E+06 ppm1 8.311 ppm2 3.646
ASSI { 670}
(( segid " A" and resid 47 and name HN ))
(( segid " A" and resid 47 and name HA1 ))
2.843 1.123 1.421 peak 670 weight 1.00000E+00 volume -1.33880E+06 ppm1 8.320 ppm2 4.280
ASSI { 672}
(( segid " A" and resid 47 and name HN ))
(( segid " A" and resid 43 and name HB2 ))
3.871 1.936 1.936 peak 672 weight 1.00000E+00 volume -2.09861E+05 ppm1 8.311 ppm2 2.899
ASSI { 675}
(( segid " A" and resid 46 and name HN ))
(( segid " A" and resid 45 and name HN ))
2.912 1.192 1.456 peak 675 weight 1.00000E+00 volume -1.15888E+06 ppm1 7.302 ppm2 8.220
ASSI { 676}
(( segid " A" and resid 47 and name HN ))
(( segid " A" and resid 46 and name HN ))
2.908 1.188 1.454 peak 676 weight 1.00000E+00 volume -6.62640E+04 ppm1 7.306 ppm2 8.326
ASSI { 677}
(( segid " A" and resid 48 and name HN ))
(( segid " A" and resid 46 and name HN ))
4.029 2.014 2.014 peak 677 weight 1.00000E+00 volume -1.60304E+04 ppm1 7.310 ppm2 7.529
ASSI { 679}
(( segid " A" and resid 46 and name HN ))
(( segid " A" and resid 46 and name HA ))
2.937 1.217 1.468 peak 679 weight 1.00000E+00 volume -7.37791E+04 ppm1 7.313 ppm2 4.459
ASSI { 680}
(( segid " A" and resid 46 and name HN ))
(( segid " A" and resid 45 and name HB2 ))
3.208 1.488 1.604 peak 680 weight 1.00000E+00 volume -3.97915E+04 ppm1 7.308 ppm2 1.818
ASSI { 681}
(( segid " A" and resid 46 and name HN ))
( segid " A" and resid 46 and name HG2#)
2.963 1.243 1.481 peak 681 weight 1.00000E+00 volume -7.47909E+04 ppm1 7.306 ppm2 1.057
ASSI { 682}
(( segid " A" and resid 46 and name HN ))
(( segid " A" and resid 46 and name HB ))
2.952 1.232 1.476 peak 682 weight 1.00000E+00 volume -6.41971E+04 ppm1 7.308 ppm2 4.401
ASSI { 683}
(( segid " A" and resid 47 and name HN ))
(( segid " A" and resid 45 and name HN ))
3.063 1.343 1.532 peak 683 weight 1.00000E+00 volume -8.54383E+05 ppm1 8.201 ppm2 8.358
ASSI { 684}
(( segid " A" and resid 46 and name HN ))
(( segid " A" and resid 45 and name HN ))
2.970 1.250 1.485 peak 684 weight 1.00000E+00 volume -1.02908E+06 ppm1 8.201 ppm2 7.313
ASSI { 685}
(( segid " A" and resid 45 and name HN ))
(( segid " A" and resid 45 and name HA ))
2.893 1.173 1.447 peak 685 weight 1.00000E+00 volume -1.20372E+06 ppm1 8.213 ppm2 4.450
ASSI { 686}
(( segid " A" and resid 45 and name HN ))
(( segid " A" and resid 44 and name HA ))
3.502 1.751 1.751 peak 686 weight 1.00000E+00 volume -2.38372E+04 ppm1 8.204 ppm2 3.976
ASSI { 687}
(( segid " A" and resid 45 and name HN ))
(( segid " A" and resid 45 and name HB2 ))
2.912 1.192 1.456 peak 687 weight 1.00000E+00 volume -7.17843E+04 ppm1 8.201 ppm2 1.796
ASSI { 688}
(( segid " A" and resid 45 and name HN ))
(( segid " A" and resid 44 and name HB2 ))
3.106 1.386 1.553 peak 688 weight 1.00000E+00 volume -7.86919E+05 ppm1 8.210 ppm2 1.495
ASSI { 689}
(( segid " A" and resid 45 and name HN ))
( segid " A" and resid 46 and name HG2#)
3.394 1.674 1.697 peak 689 weight 1.00000E+00 volume -4.62442E+05 ppm1 8.207 ppm2 1.078
ASSI { 690}
(( segid " A" and resid 44 and name HN ))
(( segid " A" and resid 45 and name HN ))
3.525 1.762 1.762 peak 690 weight 1.00000E+00 volume -3.68428E+05 ppm1 8.360 ppm2 8.220
ASSI { 691}
(( segid " A" and resid 44 and name HN ))
(( segid " A" and resid 20 and name HA ))
3.412 1.692 1.706 peak 691 weight 1.00000E+00 volume -3.64189E+04 ppm1 8.366 ppm2 5.543
ASSI { 692}
(( segid " A" and resid 44 and name HN ))
(( segid " A" and resid 44 and name HA ))
2.791 1.071 1.396 peak 692 weight 1.00000E+00 volume -8.43416E+04 ppm1 8.364 ppm2 3.956
ASSI { 694}
(( segid " A" and resid 44 and name HN ))
(( segid " A" and resid 44 and name HB2 ))
2.971 1.251 1.485 peak 694 weight 1.00000E+00 volume -5.47929E+04 ppm1 8.361 ppm2 1.496
ASSI { 695}
(( segid " A" and resid 44 and name HN ))
( segid " A" and resid 44 and name HD1#)
3.315 1.595 1.657 peak 695 weight 1.00000E+00 volume -2.61664E+04 ppm1 8.359 ppm2 0.776
ASSI { 699}
(( segid " A" and resid 43 and name HN ))
(( segid " A" and resid 42 and name HA ))
2.935 1.215 1.468 peak 699 weight 1.00000E+00 volume -7.31048E+04 ppm1 9.718 ppm2 5.361
ASSI { 700}
(( segid " A" and resid 43 and name HN ))
(( segid " A" and resid 43 and name HA ))
3.661 1.831 1.831 peak 700 weight 1.00000E+00 volume -2.22509E+04 ppm1 9.718 ppm2 3.941
ASSI { 701}
(( segid " A" and resid 43 and name HN ))
(( segid " A" and resid 43 and name HB2 ))
3.294 1.574 1.647 peak 701 weight 1.00000E+00 volume -3.21509E+04 ppm1 9.725 ppm2 2.901
ASSI { 704}
(( segid " A" and resid 43 and name HN ))
( segid " A" and resid 48 and name HB# )
3.182 1.462 1.591 peak 704 weight 1.00000E+00 volume -4.16603E+04 ppm1 9.720 ppm2 1.385
ASSI { 705}
(( segid " A" and resid 42 and name HN ))
(( segid " A" and resid 41 and name HA ))
2.847 1.127 1.423 peak 705 weight 1.00000E+00 volume -1.32715E+06 ppm1 9.356 ppm2 5.331
ASSI { 706}
(( segid " A" and resid 42 and name HN ))
(( segid " A" and resid 22 and name HA ))
3.820 1.910 1.910 peak 706 weight 1.00000E+00 volume -2.27443E+05 ppm1 9.346 ppm2 3.975
ASSI { 709}
(( segid " A" and resid 42 and name HN ))
(( segid " A" and resid 41 and name HB2 ))
2.923 1.203 1.462 peak 709 weight 1.00000E+00 volume -6.80590E+04 ppm1 9.352 ppm2 1.592
ASSI { 710}
(( segid " A" and resid 42 and name HN ))
(( segid " A" and resid 23 and name HG11))
3.183 1.463 1.591 peak 710 weight 1.00000E+00 volume -6.79715E+05 ppm1 9.352 ppm2 1.357
ASSI { 711}
(( segid " A" and resid 42 and name HN ))
(( segid " A" and resid 42 and name HB2 ))
3.256 1.536 1.628 peak 711 weight 1.00000E+00 volume -3.41972E+04 ppm1 9.346 ppm2 1.783
ASSI { 712}
(( segid " A" and resid 42 and name HN ))
( segid " A" and resid 41 and name HD1#)
3.100 1.380 1.550 peak 712 weight 1.00000E+00 volume -5.06100E+04 ppm1 9.352 ppm2 0.767
ASSI { 713}
(( segid " A" and resid 41 and name HN ))
(( segid " A" and resid 50 and name HN ))
3.581 1.791 1.791 peak 713 weight 1.00000E+00 volume -2.49639E+04 ppm1 9.016 ppm2 9.293
ASSI { 714}
(( segid " A" and resid 52 and name HN ))
(( segid " A" and resid 41 and name HN ))
3.539 1.770 1.770 peak 714 weight 1.00000E+00 volume -3.59343E+05 ppm1 9.009 ppm2 8.569
ASSI { 715}
(( segid " A" and resid 41 and name HN ))
(( segid " A" and resid 41 and name HA ))
3.317 1.597 1.658 peak 715 weight 1.00000E+00 volume -5.30463E+05 ppm1 9.016 ppm2 5.333
ASSI { 716}
(( segid " A" and resid 41 and name HN ))
(( segid " A" and resid 51 and name HA ))
3.367 1.647 1.683 peak 716 weight 1.00000E+00 volume -4.84767E+05 ppm1 9.016 ppm2 5.184
ASSI { 717}
(( segid " A" and resid 41 and name HN ))
(( segid " A" and resid 40 and name HA ))
2.640 0.920 1.320 peak 717 weight 1.00000E+00 volume -2.08425E+06 ppm1 9.020 ppm2 4.747
ASSI { 718}
(( segid " A" and resid 41 and name HN ))
(( segid " A" and resid 41 and name HB2 ))
2.757 1.037 1.379 peak 718 weight 1.00000E+00 volume -1.04162E+05 ppm1 9.020 ppm2 1.583
ASSI { 720}
(( segid " A" and resid 41 and name HN ))
( segid " A" and resid 41 and name HD1#)
3.143 1.423 1.572 peak 720 weight 1.00000E+00 volume -3.60409E+04 ppm1 9.016 ppm2 0.814
ASSI { 722}
(( segid " A" and resid 24 and name HN ))
(( segid " A" and resid 40 and name HN ))
3.547 1.774 1.774 peak 722 weight 1.00000E+00 volume -2.75879E+04 ppm1 8.599 ppm2 8.003
ASSI { 723}
(( segid " A" and resid 40 and name HN ))
(( segid " A" and resid 40 and name HA ))
2.846 1.126 1.423 peak 723 weight 1.00000E+00 volume -1.32818E+06 ppm1 8.605 ppm2 4.725
ASSI { 724}
(( segid " A" and resid 39 and name HN ))
(( segid " A" and resid 52 and name HN ))
3.403 1.683 1.702 peak 724 weight 1.00000E+00 volume -4.54561E+05 ppm1 8.995 ppm2 8.561
ASSI { 725}
(( segid " A" and resid 39 and name HN ))
(( segid " A" and resid 38 and name HA ))
2.610 0.890 1.305 peak 725 weight 1.00000E+00 volume -2.23265E+06 ppm1 8.995 ppm2 4.913
ASSI { 726}
(( segid " A" and resid 39 and name HN ))
(( segid " A" and resid 53 and name HA ))
3.126 1.406 1.563 peak 726 weight 1.00000E+00 volume -5.24379E+04 ppm1 8.998 ppm2 5.179
ASSI { 727}
(( segid " A" and resid 39 and name HN ))
(( segid " A" and resid 39 and name HA ))
3.734 1.867 1.867 peak 727 weight 1.00000E+00 volume -2.60666E+05 ppm1 9.003 ppm2 5.379
ASSI { 728}
(( segid " A" and resid 39 and name HN ))
(( segid " A" and resid 39 and name HB2 ))
3.265 1.545 1.632 peak 728 weight 1.00000E+00 volume -5.83161E+05 ppm1 8.987 ppm2 3.932
ASSI { 731}
(( segid " A" and resid 38 and name HN ))
(( segid " A" and resid 37 and name HA ))
2.460 0.740 1.230 peak 731 weight 1.00000E+00 volume -3.18952E+06 ppm1 8.877 ppm2 4.843
ASSI { 732}
(( segid " A" and resid 38 and name HN ))
(( segid " A" and resid 38 and name HA ))
2.492 0.772 1.246 peak 732 weight 1.00000E+00 volume -2.95213E+06 ppm1 8.887 ppm2 4.905
ASSI { 733}
(( segid " A" and resid 38 and name HN ))
(( segid " A" and resid 38 and name HB2 ))
3.134 1.414 1.567 peak 733 weight 1.00000E+00 volume -7.45778E+05 ppm1 8.884 ppm2 1.879
ASSI { 734}
(( segid " A" and resid 38 and name HN ))
(( segid " A" and resid 38 and name HB1 ))
3.089 1.369 1.544 peak 734 weight 1.00000E+00 volume -8.13633E+05 ppm1 8.884 ppm2 1.697
ASSI { 735}
(( segid " A" and resid 38 and name HN ))
( segid " A" and resid 37 and name HG1#)
2.681 0.961 1.341 peak 735 weight 1.00000E+00 volume -1.14425E+05 ppm1 8.887 ppm2 0.576
ASSI { 736}
(( segid " A" and resid 37 and name HN ))
( segid " A" and resid 37 and name HG1#)
3.143 1.423 1.572 peak 736 weight 1.00000E+00 volume -4.96340E+04 ppm1 9.306 ppm2 0.566
ASSI { 737}
(( segid " A" and resid 37 and name HN ))
(( segid " A" and resid 54 and name HN ))
3.543 1.771 1.771 peak 737 weight 1.00000E+00 volume -2.20864E+04 ppm1 9.306 ppm2 9.073
ASSI { 738}
(( segid " A" and resid 37 and name HN ))
( segid " A" and resid 36 and name HD# )
3.412 1.692 1.706 peak 738 weight 1.00000E+00 volume -4.47675E+05 ppm1 9.298 ppm2 7.049
ASSI { 739}
(( segid " A" and resid 37 and name HN ))
(( segid " A" and resid 36 and name HA ))
2.825 1.105 1.413 peak 739 weight 1.00000E+00 volume -1.38843E+06 ppm1 9.301 ppm2 5.173
ASSI { 740}
(( segid " A" and resid 37 and name HN ))
(( segid " A" and resid 37 and name HA ))
3.739 1.870 1.870 peak 740 weight 1.00000E+00 volume -2.58379E+05 ppm1 9.310 ppm2 4.844
ASSI { 741}
(( segid " A" and resid 37 and name HN ))
(( segid " A" and resid 36 and name HB2 ))
2.950 1.230 1.475 peak 741 weight 1.00000E+00 volume -1.07264E+06 ppm1 9.306 ppm2 3.037
ASSI { 743}
(( segid " A" and resid 36 and name HN ))
( segid " A" and resid 37 and name HG1#)
3.423 1.703 1.711 peak 743 weight 1.00000E+00 volume -3.80431E+04 ppm1 8.638 ppm2 0.581
ASSI { 745}
(( segid " A" and resid 36 and name HN ))
( segid " A" and resid 35 and name HB# )
2.716 0.996 1.358 peak 745 weight 1.00000E+00 volume -1.75810E+06 ppm1 8.641 ppm2 1.460
ASSI { 746}
(( segid " A" and resid 36 and name HN ))
(( segid " A" and resid 36 and name HB2 ))
3.608 1.804 1.804 peak 746 weight 1.00000E+00 volume -3.20178E+05 ppm1 8.638 ppm2 3.030
ASSI { 748}
(( segid " A" and resid 35 and name HN ))
(( segid " A" and resid 35 and name HA ))
3.420 1.700 1.710 peak 748 weight 1.00000E+00 volume -4.41123E+05 ppm1 8.336 ppm2 4.715
ASSI { 749}
(( segid " A" and resid 28 and name HN ))
(( segid " A" and resid 27 and name HA ))
2.487 0.767 1.243 peak 749 weight 1.00000E+00 volume -2.98503E+06 ppm1 8.846 ppm2 4.841
ASSI { 750}
(( segid " A" and resid 28 and name HN ))
(( segid " A" and resid 28 and name HA ))
3.634 1.817 1.817 peak 750 weight 1.00000E+00 volume -3.06756E+05 ppm1 8.852 ppm2 3.932
ASSI { 754}
(( segid " A" and resid 28 and name HN ))
( segid " A" and resid 28 and name HG1#)
2.680 0.960 1.340 peak 754 weight 1.00000E+00 volume -1.20216E+05 ppm1 8.847 ppm2 0.581
ASSI { 758}
(( segid " A" and resid 26 and name HN ))
(( segid " A" and resid 38 and name HN ))
3.214 1.494 1.607 peak 758 weight 1.00000E+00 volume -2.55418E+04 ppm1 8.710 ppm2 8.881
ASSI { 759}
(( segid " A" and resid 26 and name HN ))
(( segid " A" and resid 25 and name HA ))
2.796 1.076 1.398 peak 759 weight 1.00000E+00 volume -9.92840E+04 ppm1 8.714 ppm2 5.456
ASSI { 764}
(( segid " A" and resid 26 and name HN ))
(( segid " A" and resid 26 and name HB2 ))
2.699 0.979 1.350 peak 764 weight 1.00000E+00 volume -8.96486E+04 ppm1 8.712 ppm2 1.882
ASSI { 765}
(( segid " A" and resid 23 and name HN ))
(( segid " A" and resid 24 and name HN ))
2.717 0.997 1.358 peak 765 weight 1.00000E+00 volume -1.28987E+05 ppm1 7.999 ppm2 9.096
ASSI { 766}
(( segid " A" and resid 24 and name HN ))
(( segid " A" and resid 40 and name HN ))
3.316 1.596 1.658 peak 766 weight 1.00000E+00 volume -5.02953E+04 ppm1 7.997 ppm2 8.611
ASSI { 768}
(( segid " A" and resid 24 and name HN ))
(( segid " A" and resid 24 and name HA ))
2.744 1.024 1.372 peak 768 weight 1.00000E+00 volume -8.88365E+04 ppm1 7.995 ppm2 4.760
ASSI { 769}
(( segid " A" and resid 24 and name HN ))
(( segid " A" and resid 23 and name HA ))
3.271 1.551 1.636 peak 769 weight 1.00000E+00 volume -4.50410E+04 ppm1 8.001 ppm2 4.395
ASSI { 771}
(( segid " A" and resid 24 and name HN ))
(( segid " A" and resid 22 and name HA ))
3.117 1.397 1.559 peak 771 weight 1.00000E+00 volume -7.69563E+05 ppm1 7.997 ppm2 3.981
ASSI { 773}
(( segid " A" and resid 24 and name HN ))
(( segid " A" and resid 23 and name HB ))
2.891 1.171 1.445 peak 773 weight 1.00000E+00 volume -8.56222E+04 ppm1 7.995 ppm2 1.918
ASSI { 775}
(( segid " A" and resid 24 and name HN ))
(( segid " A" and resid 40 and name HB2 ))
3.071 1.351 1.536 peak 775 weight 1.00000E+00 volume -8.41767E+05 ppm1 7.997 ppm2 1.589
ASSI { 778}
(( segid " A" and resid 23 and name HN ))
(( segid " A" and resid 24 and name HN ))
3.186 1.466 1.593 peak 778 weight 1.00000E+00 volume -6.75534E+05 ppm1 9.092 ppm2 7.996
ASSI { 780}
(( segid " A" and resid 23 and name HN ))
(( segid " A" and resid 23 and name HA ))
3.474 1.737 1.737 peak 780 weight 1.00000E+00 volume -4.01668E+05 ppm1 9.105 ppm2 4.407
ASSI { 781}
(( segid " A" and resid 23 and name HN ))
(( segid " A" and resid 22 and name HA ))
2.986 1.266 1.493 peak 781 weight 1.00000E+00 volume -6.51112E+04 ppm1 9.095 ppm2 3.970
ASSI { 782}
(( segid " A" and resid 23 and name HN ))
(( segid " A" and resid 23 and name HB ))
3.344 1.624 1.672 peak 782 weight 1.00000E+00 volume -3.39537E+04 ppm1 9.090 ppm2 1.923
ASSI { 783}
(( segid " A" and resid 23 and name HN ))
(( segid " A" and resid 23 and name HG12))
3.249 1.529 1.624 peak 783 weight 1.00000E+00 volume -3.15097E+04 ppm1 9.087 ppm2 1.261
ASSI { 784}
(( segid " A" and resid 23 and name HN ))
(( segid " A" and resid 23 and name HG11))
3.244 1.524 1.622 peak 784 weight 1.00000E+00 volume -3.91360E+04 ppm1 9.092 ppm2 1.373
ASSI { 785}
(( segid " A" and resid 23 and name HN ))
( segid " A" and resid 23 and name HG2#)
2.966 1.246 1.483 peak 785 weight 1.00000E+00 volume -5.92917E+04 ppm1 9.089 ppm2 0.722
ASSI { 787}
(( segid " A" and resid 11 and name HN ))
(( segid " A" and resid 22 and name HN ))
5.072 2.536 2.536 peak 787 weight 1.00000E+00 volume -1.61653E+04 ppm1 8.910 ppm2 7.138
ASSI { 789}
(( segid " A" and resid 22 and name HN ))
(( segid " A" and resid 21 and name HA ))
2.835 1.115 1.418 peak 789 weight 1.00000E+00 volume -9.60070E+04 ppm1 8.906 ppm2 5.229
ASSI { 790}
(( segid " A" and resid 22 and name HN ))
(( segid " A" and resid 22 and name HA ))
3.455 1.728 1.728 peak 790 weight 1.00000E+00 volume -4.14849E+05 ppm1 8.914 ppm2 3.981
ASSI { 791}
(( segid " A" and resid 22 and name HN ))
(( segid " A" and resid 22 and name HB ))
3.090 1.370 1.545 peak 791 weight 1.00000E+00 volume -8.10994E+05 ppm1 8.912 ppm2 2.166
ASSI { 792}
(( segid " A" and resid 22 and name HN ))
( segid " A" and resid 22 and name HG1#)
2.891 1.171 1.445 peak 792 weight 1.00000E+00 volume -1.21002E+06 ppm1 8.907 ppm2 0.707
ASSI { 793}
(( segid " A" and resid 22 and name HN ))
( segid " A" and resid 22 and name HG2#)
2.843 1.123 1.422 peak 793 weight 1.00000E+00 volume -1.33639E+06 ppm1 8.910 ppm2 0.334
ASSI { 794}
(( segid " A" and resid 21 and name HN ))
(( segid " A" and resid 20 and name HA ))
2.954 1.234 1.477 peak 794 weight 1.00000E+00 volume -1.06327E+06 ppm1 9.270 ppm2 5.544
ASSI { 796}
(( segid " A" and resid 21 and name HN ))
(( segid " A" and resid 21 and name HA ))
3.390 1.670 1.695 peak 796 weight 1.00000E+00 volume -4.65175E+05 ppm1 9.268 ppm2 5.233
ASSI { 798}
(( segid " A" and resid 21 and name HN ))
(( segid " A" and resid 21 and name HB2 ))
2.874 1.154 1.437 peak 798 weight 1.00000E+00 volume -7.43220E+04 ppm1 9.274 ppm2 1.563
ASSI { 799}
(( segid " A" and resid 21 and name HN ))
(( segid " A" and resid 21 and name HB1 ))
3.022 1.302 1.511 peak 799 weight 1.00000E+00 volume -5.24592E+04 ppm1 9.272 ppm2 1.677
ASSI { 801}
(( segid " A" and resid 20 and name HN ))
(( segid " A" and resid 20 and name HD1 ))
3.323 1.603 1.661 peak 801 weight 1.00000E+00 volume -5.24702E+05 ppm1 8.960 ppm2 7.092
ASSI { 804}
(( segid " A" and resid 20 and name HN ))
(( segid " A" and resid 19 and name HA ))
2.771 1.051 1.386 peak 804 weight 1.00000E+00 volume -1.55928E+06 ppm1 8.956 ppm2 5.100
ASSI { 806}
(( segid " A" and resid 19 and name HN ))
(( segid " A" and resid 19 and name HA ))
3.508 1.754 1.754 peak 806 weight 1.00000E+00 volume -3.78812E+05 ppm1 7.546 ppm2 5.101
ASSI { 807}
(( segid " A" and resid 19 and name HN ))
(( segid " A" and resid 18 and name HA ))
2.588 0.868 1.294 peak 807 weight 1.00000E+00 volume -1.62046E+05 ppm1 7.541 ppm2 4.482
ASSI { 808}
(( segid " A" and resid 19 and name HN ))
( segid " A" and resid 18 and name HB# )
2.431 0.711 1.216 peak 808 weight 1.00000E+00 volume -2.36539E+05 ppm1 7.539 ppm2 1.132
ASSI { 809}
(( segid " A" and resid 19 and name HN ))
( segid " A" and resid 19 and name HD1#)
2.905 1.185 1.453 peak 809 weight 1.00000E+00 volume -8.30560E+04 ppm1 7.543 ppm2 0.715
ASSI { 812}
(( segid " A" and resid 18 and name HN ))
(( segid " A" and resid 20 and name HE1 ))
3.378 1.658 1.689 peak 812 weight 1.00000E+00 volume -3.79869E+04 ppm1 7.871 ppm2 10.170
ASSI { 813}
(( segid " A" and resid 15 and name HN ))
(( segid " A" and resid 18 and name HN ))
3.171 1.451 1.585 peak 813 weight 1.00000E+00 volume -5.66367E+04 ppm1 7.871 ppm2 8.636
ASSI { 814}
(( segid " A" and resid 18 and name HN ))
(( segid " A" and resid 19 and name HN ))
3.968 1.984 1.984 peak 814 weight 1.00000E+00 volume -2.48796E+04 ppm1 7.872 ppm2 7.544
ASSI { 817}
(( segid " A" and resid 18 and name HN ))
(( segid " A" and resid 18 and name HA ))
2.623 0.903 1.311 peak 817 weight 1.00000E+00 volume -1.53394E+05 ppm1 7.872 ppm2 4.475
ASSI { 818}
(( segid " A" and resid 18 and name HN ))
(( segid " A" and resid 17 and name HA ))
2.940 1.220 1.470 peak 818 weight 1.00000E+00 volume -8.51148E+04 ppm1 7.876 ppm2 4.294
ASSI { 819}
(( segid " A" and resid 18 and name HN ))
(( segid " A" and resid 17 and name HB2 ))
3.505 1.753 1.753 peak 819 weight 1.00000E+00 volume -2.87768E+04 ppm1 7.874 ppm2 3.099
ASSI { 820}
(( segid " A" and resid 18 and name HN ))
( segid " A" and resid 18 and name HB# )
2.550 0.830 1.275 peak 820 weight 1.00000E+00 volume -1.97856E+05 ppm1 7.881 ppm2 1.129
ASSI { 822}
(( segid " A" and resid 15 and name HN ))
(( segid " A" and resid 20 and name HE1 ))
3.796 1.898 1.898 peak 822 weight 1.00000E+00 volume -2.36186E+05 ppm1 8.631 ppm2 10.164
ASSI { 824}
(( segid " A" and resid 15 and name HN ))
(( segid " A" and resid 18 and name HN ))
3.838 1.919 1.919 peak 824 weight 1.00000E+00 volume -2.20904E+05 ppm1 8.635 ppm2 7.887
ASSI { 825}
(( segid " A" and resid 15 and name HN ))
(( segid " A" and resid 20 and name HD1 ))
3.049 1.329 1.524 peak 825 weight 1.00000E+00 volume -7.27713E+04 ppm1 8.630 ppm2 7.109
ASSI { 826}
(( segid " A" and resid 15 and name HN ))
(( segid " A" and resid 14 and name HA ))
2.602 0.882 1.301 peak 826 weight 1.00000E+00 volume -1.68527E+05 ppm1 8.630 ppm2 5.597
ASSI { 827}
(( segid " A" and resid 15 and name HN ))
(( segid " A" and resid 19 and name HA ))
3.303 1.583 1.651 peak 827 weight 1.00000E+00 volume -4.64912E+04 ppm1 8.630 ppm2 5.095
ASSI { 828}
(( segid " A" and resid 15 and name HN ))
(( segid " A" and resid 15 and name HA ))
3.106 1.386 1.553 peak 828 weight 1.00000E+00 volume -6.07212E+04 ppm1 8.633 ppm2 4.502
ASSI { 831}
(( segid " A" and resid 15 and name HN ))
(( segid " A" and resid 15 and name HB ))
3.651 1.825 1.825 peak 831 weight 1.00000E+00 volume -2.27326E+04 ppm1 8.638 ppm2 2.109
ASSI { 834}
(( segid " A" and resid 15 and name HN ))
( segid " A" and resid 18 and name HB# )
3.791 1.896 1.896 peak 834 weight 1.00000E+00 volume -2.36702E+04 ppm1 8.634 ppm2 1.142
ASSI { 835}
(( segid " A" and resid 15 and name HN ))
(( segid " A" and resid 14 and name HB2 ))
3.870 1.935 1.935 peak 835 weight 1.00000E+00 volume -1.77469E+04 ppm1 8.630 ppm2 3.488
ASSI { 838}
(( segid " A" and resid 14 and name HN ))
(( segid " A" and resid 13 and name HA ))
2.772 1.052 1.386 peak 838 weight 1.00000E+00 volume -1.10602E+05 ppm1 8.830 ppm2 5.027
ASSI { 840}
(( segid " A" and resid 14 and name HN ))
(( segid " A" and resid 14 and name HB1 ))
3.120 1.400 1.560 peak 840 weight 1.00000E+00 volume -5.42063E+04 ppm1 8.828 ppm2 3.696
ASSI { 841}
(( segid " A" and resid 14 and name HN ))
(( segid " A" and resid 14 and name HB2 ))
3.305 1.585 1.652 peak 841 weight 1.00000E+00 volume -4.90191E+04 ppm1 8.832 ppm2 3.484
ASSI { 843}
(( segid " A" and resid 14 and name HN ))
( segid " A" and resid 13 and name HD1#)
3.053 1.333 1.527 peak 843 weight 1.00000E+00 volume -5.88763E+04 ppm1 8.823 ppm2 0.478
ASSI { 844}
(( segid " A" and resid 12 and name HN ))
(( segid " A" and resid 12 and name HA ))
3.511 1.756 1.756 peak 844 weight 1.00000E+00 volume -2.97520E+04 ppm1 7.975 ppm2 5.646
ASSI { 846}
(( segid " A" and resid 12 and name HN ))
(( segid " A" and resid 11 and name HA ))
2.415 0.695 1.207 peak 846 weight 1.00000E+00 volume -2.78641E+05 ppm1 7.969 ppm2 4.231
ASSI { 847}
(( segid " A" and resid 12 and name HN ))
(( segid " A" and resid 12 and name HB ))
3.704 1.852 1.852 peak 847 weight 1.00000E+00 volume -2.73260E+05 ppm1 7.969 ppm2 3.959
ASSI { 848}
(( segid " A" and resid 12 and name HN ))
(( segid " A" and resid 11 and name HB2 ))
2.750 1.030 1.375 peak 848 weight 1.00000E+00 volume -1.01710E+05 ppm1 7.966 ppm2 1.408
ASSI { 852}
(( segid " A" and resid 10 and name HN ))
(( segid " A" and resid 11 and name HN ))
3.652 1.826 1.826 peak 852 weight 1.00000E+00 volume -2.97651E+05 ppm1 7.140 ppm2 9.187
ASSI { 854}
(( segid " A" and resid 11 and name HN ))
(( segid " A" and resid 10 and name HA2 ))
3.298 1.578 1.649 peak 854 weight 1.00000E+00 volume -5.49088E+05 ppm1 7.140 ppm2 4.436
ASSI { 855}
(( segid " A" and resid 11 and name HN ))
(( segid " A" and resid 11 and name HA ))
2.958 1.238 1.479 peak 855 weight 1.00000E+00 volume -1.05501E+06 ppm1 7.146 ppm2 4.227
ASSI { 856}
(( segid " A" and resid 11 and name HN ))
(( segid " A" and resid 10 and name HA1 ))
3.541 1.771 1.771 peak 856 weight 1.00000E+00 volume -3.58167E+05 ppm1 7.140 ppm2 3.810
ASSI { 858}
(( segid " A" and resid 11 and name HN ))
(( segid " A" and resid 22 and name HB ))
3.058 1.338 1.529 peak 858 weight 1.00000E+00 volume -8.63447E+05 ppm1 7.142 ppm2 2.170
ASSI { 859}
(( segid " A" and resid 11 and name HN ))
(( segid " A" and resid 11 and name HB2 ))
2.400 0.680 1.200 peak 859 weight 1.00000E+00 volume -3.69666E+06 ppm1 7.144 ppm2 1.388
ASSI { 860}
(( segid " A" and resid 11 and name HN ))
( segid " A" and resid 22 and name HG2#)
3.254 1.534 1.627 peak 860 weight 1.00000E+00 volume -5.95311E+05 ppm1 7.146 ppm2 0.330
ASSI { 861}
(( segid " A" and resid 11 and name HN ))
( segid " A" and resid 22 and name HG1#)
3.156 1.436 1.578 peak 861 weight 1.00000E+00 volume -7.14404E+05 ppm1 7.140 ppm2 0.706
ASSI { 862}
(( segid " A" and resid 10 and name HN ))
( segid " A" and resid 22 and name HG1#)
3.544 1.772 1.772 peak 862 weight 1.00000E+00 volume -3.56379E+05 ppm1 9.184 ppm2 0.700
ASSI { 863}
(( segid " A" and resid 10 and name HN ))
(( segid " A" and resid 11 and name HB2 ))
3.529 1.764 1.764 peak 863 weight 1.00000E+00 volume -2.73825E+04 ppm1 9.184 ppm2 1.371
ASSI { 865}
(( segid " A" and resid 10 and name HN ))
(( segid " A" and resid 11 and name HN ))
3.716 1.858 1.858 peak 865 weight 1.00000E+00 volume -2.06616E+04 ppm1 9.184 ppm2 7.149
ASSI { 866}
(( segid " A" and resid 8 and name HN ))
(( segid " A" and resid 7 and name HN ))
3.854 1.927 1.927 peak 866 weight 1.00000E+00 volume -1.17016E+04 ppm1 6.133 ppm2 7.069
ASSI { 868}
(( segid " A" and resid 8 and name HN ))
(( segid " A" and resid 8 and name HA ))
3.254 1.534 1.627 peak 868 weight 1.00000E+00 volume -4.07804E+04 ppm1 6.129 ppm2 4.668
ASSI { 869}
(( segid " A" and resid 8 and name HN ))
(( segid " A" and resid 7 and name HA ))
2.517 0.797 1.258 peak 869 weight 1.00000E+00 volume -2.77953E+06 ppm1 6.131 ppm2 3.792
ASSI { 870}
(( segid " A" and resid 8 and name HN ))
(( segid " A" and resid 7 and name HB2 ))
3.439 1.719 1.720 peak 870 weight 1.00000E+00 volume -4.26872E+05 ppm1 6.127 ppm2 2.423
ASSI { 872}
(( segid " A" and resid 11 and name HB2 ))
(( segid " A" and resid 8 and name HN ))
2.802 1.082 1.401 peak 872 weight 1.00000E+00 volume -1.45788E+06 ppm1 6.129 ppm2 1.403
ASSI { 875}
(( segid " A" and resid 6 and name HN ))
(( segid " A" and resid 7 and name HN ))
3.031 1.311 1.516 peak 875 weight 1.00000E+00 volume -7.39870E+04 ppm1 7.066 ppm2 7.936
ASSI { 876}
(( segid " A" and resid 7 and name HN ))
( segid " A" and resid 7 and name HE# )
3.261 1.541 1.630 peak 876 weight 1.00000E+00 volume -4.54150E+04 ppm1 7.065 ppm2 6.554
ASSI { 877}
(( segid " A" and resid 8 and name HN ))
(( segid " A" and resid 7 and name HN ))
3.697 1.849 1.849 peak 877 weight 1.00000E+00 volume -2.33515E+04 ppm1 7.065 ppm2 6.137
ASSI { 878}
(( segid " A" and resid 7 and name HN ))
(( segid " A" and resid 6 and name HA ))
2.858 1.138 1.429 peak 878 weight 1.00000E+00 volume -7.49058E+04 ppm1 7.065 ppm2 4.723
ASSI { 879}
(( segid " A" and resid 7 and name HN ))
(( segid " A" and resid 7 and name HA ))
2.908 1.188 1.454 peak 879 weight 1.00000E+00 volume -8.82597E+04 ppm1 7.066 ppm2 3.790
ASSI { 881}
(( segid " A" and resid 7 and name HN ))
(( segid " A" and resid 7 and name HB2 ))
2.648 0.928 1.324 peak 881 weight 1.00000E+00 volume -1.39812E+05 ppm1 7.063 ppm2 2.412
ASSI { 883}
( segid " A" and resid 37 and name HG1#)
(( segid " A" and resid 7 and name HN ))
3.404 1.684 1.702 peak 883 weight 1.00000E+00 volume -2.86644E+04 ppm1 7.065 ppm2 0.596
ASSI { 884}
(( segid " A" and resid 6 and name HN ))
(( segid " A" and resid 3 and name HN ))
3.555 1.777 1.777 peak 884 weight 1.00000E+00 volume -2.30669E+04 ppm1 7.931 ppm2 8.912
ASSI { 885}
(( segid " A" and resid 6 and name HN ))
(( segid " A" and resid 7 and name HN ))
3.247 1.527 1.623 peak 885 weight 1.00000E+00 volume -5.65105E+04 ppm1 7.937 ppm2 7.065
ASSI { 891}
(( segid " A" and resid 4 and name HN ))
( segid " A" and resid 4 and name HG1#)
3.811 1.906 1.906 peak 891 weight 1.00000E+00 volume -2.30491E+05 ppm1 8.335 ppm2 0.692
ASSI { 892}
(( segid " A" and resid 4 and name HN ))
( segid " A" and resid 4 and name HG2#)
3.648 1.824 1.824 peak 892 weight 1.00000E+00 volume -2.99866E+05 ppm1 8.345 ppm2 0.229
ASSI { 899}
(( segid " A" and resid 63 and name HN ))
(( segid " A" and resid 63 and name HA ))
2.447 0.727 1.223 peak 899 weight 1.00000E+00 volume -3.29105E+06 ppm1 7.828 ppm2 4.605
ASSI { 900}
(( segid " A" and resid 13 and name HA ))
(( segid " A" and resid 63 and name HN ))
2.834 1.114 1.417 peak 900 weight 1.00000E+00 volume -9.56101E+04 ppm1 7.825 ppm2 5.023
ASSI { 901}
(( segid " A" and resid 63 and name HN ))
(( segid " A" and resid 62 and name HB2 ))
3.222 1.502 1.611 peak 901 weight 1.00000E+00 volume -3.69969E+04 ppm1 7.824 ppm2 1.939
ASSI { 902}
(( segid " A" and resid 63 and name HN ))
(( segid " A" and resid 62 and name HB1 ))
3.268 1.548 1.634 peak 902 weight 1.00000E+00 volume -3.10216E+04 ppm1 7.829 ppm2 2.229
ASSI { 906}
(( segid " A" and resid 87 and name HN ))
(( segid " A" and resid 87 and name HA ))
3.161 1.441 1.581 peak 906 weight 1.00000E+00 volume -7.07537E+05 ppm1 8.065 ppm2 4.320
ASSI { 908}
(( segid " A" and resid 6 and name HN ))
(( segid " A" and resid 6 and name HB2 ))
3.247 1.527 1.624 peak 908 weight 1.00000E+00 volume -6.02351E+05 ppm1 7.932 ppm2 2.917
ASSI { 911}
(( segid " A" and resid 10 and name HN ))
(( segid " A" and resid 22 and name HB ))
3.920 1.960 1.960 peak 911 weight 1.00000E+00 volume -1.94609E+05 ppm1 9.186 ppm2 2.166
ASSI { 913}
(( segid " A" and resid 14 and name HN ))
(( segid " A" and resid 63 and name HN ))
3.970 1.985 1.985 peak 913 weight 1.00000E+00 volume -1.80338E+05 ppm1 8.819 ppm2 7.825
ASSI { 914}
(( segid " A" and resid 14 and name HN ))
(( segid " A" and resid 14 and name HA ))
3.627 1.813 1.813 peak 914 weight 1.00000E+00 volume -3.10468E+05 ppm1 8.824 ppm2 5.600
ASSI { 917}
(( segid " A" and resid 20 and name HN ))
(( segid " A" and resid 15 and name HN ))
3.499 1.749 1.749 peak 917 weight 1.00000E+00 volume -3.84902E+05 ppm1 8.623 ppm2 8.970
ASSI { 919}
(( segid " A" and resid 18 and name HN ))
(( segid " A" and resid 14 and name HA ))
4.802 2.401 2.401 peak 919 weight 1.00000E+00 volume -5.75875E+04 ppm1 7.878 ppm2 5.603
ASSI { 920}
(( segid " A" and resid 18 and name HN ))
(( segid " A" and resid 20 and name HD1 ))
5.629 2.815 2.371 peak 920 weight 1.00000E+00 volume -2.21899E+04 ppm1 7.875 ppm2 7.115
ASSI { 923}
(( segid " A" and resid 15 and name HN ))
(( segid " A" and resid 20 and name HE1 ))
3.200 1.480 1.600 peak 923 weight 1.00000E+00 volume -6.57275E+05 ppm1 10.163 ppm2 8.636
ASSI { 924}
(( segid " A" and resid 18 and name HN ))
(( segid " A" and resid 20 and name HE1 ))
3.972 1.986 1.986 peak 924 weight 1.00000E+00 volume -1.18015E+04 ppm1 10.155 ppm2 7.878
ASSI { 926}
(( segid " A" and resid 20 and name HE1 ))
(( segid " A" and resid 20 and name HD1 ))
2.696 0.976 1.348 peak 926 weight 1.00000E+00 volume -1.17942E+05 ppm1 10.161 ppm2 7.110
ASSI { 929}
( segid " A" and resid 18 and name HB# )
(( segid " A" and resid 20 and name HE1 ))
2.815 1.095 1.408 peak 929 weight 1.00000E+00 volume -9.20042E+04 ppm1 10.155 ppm2 1.120
ASSI { 933}
(( segid " A" and resid 22 and name HN ))
(( segid " A" and resid 12 and name HA ))
4.047 2.024 2.024 peak 933 weight 1.00000E+00 volume -2.04058E+04 ppm1 8.912 ppm2 5.638
ASSI { 935}
(( segid " A" and resid 23 and name HN ))
(( segid " A" and resid 41 and name HB2 ))
3.596 1.798 1.798 peak 935 weight 1.00000E+00 volume -1.83164E+04 ppm1 9.094 ppm2 1.586
ASSI { 939}
(( segid " A" and resid 24 and name HN ))
(( segid " A" and resid 24 and name HB2 ))
3.487 1.743 1.743 peak 939 weight 1.00000E+00 volume -3.24858E+04 ppm1 7.999 ppm2 2.800
ASSI { 941}
(( segid " A" and resid 36 and name HN ))
(( segid " A" and resid 28 and name HN ))
3.486 1.743 1.743 peak 941 weight 1.00000E+00 volume -2.08915E+04 ppm1 8.636 ppm2 8.843
ASSI { 942}
(( segid " A" and resid 36 and name HN ))
( segid " A" and resid 36 and name HD# )
3.295 1.575 1.647 peak 942 weight 1.00000E+00 volume -3.93851E+04 ppm1 8.639 ppm2 7.075
ASSI { 943}
(( segid " A" and resid 36 and name HN ))
(( segid " A" and resid 36 and name HA ))
3.373 1.653 1.686 peak 943 weight 1.00000E+00 volume -3.87024E+04 ppm1 8.635 ppm2 5.170
ASSI { 944}
(( segid " A" and resid 36 and name HN ))
(( segid " A" and resid 35 and name HA ))
2.362 0.642 1.181 peak 944 weight 1.00000E+00 volume -4.06340E+06 ppm1 8.637 ppm2 4.736
ASSI { 952}
(( segid " A" and resid 47 and name HN ))
(( segid " A" and resid 46 and name HA ))
3.457 1.729 1.729 peak 952 weight 1.00000E+00 volume -2.26029E+04 ppm1 8.313 ppm2 4.436
ASSI { 954}
( segid " A" and resid 48 and name HB# )
(( segid " A" and resid 47 and name HN ))
3.641 1.820 1.820 peak 954 weight 1.00000E+00 volume -2.06978E+04 ppm1 8.312 ppm2 1.401
ASSI { 955}
(( segid " A" and resid 48 and name HN ))
(( segid " A" and resid 46 and name HN ))
3.623 1.812 1.812 peak 955 weight 1.00000E+00 volume -3.12221E+05 ppm1 7.527 ppm2 7.323
ASSI { 958}
(( segid " A" and resid 14 and name HN ))
(( segid " A" and resid 63 and name HN ))
3.917 1.958 1.958 peak 958 weight 1.00000E+00 volume -1.95542E+05 ppm1 7.828 ppm2 8.838
ASSI { 963}
(( segid " A" and resid 72 and name HN ))
(( segid " A" and resid 110 and name HA ))
3.094 1.374 1.547 peak 963 weight 1.00000E+00 volume -5.01087E+04 ppm1 9.122 ppm2 5.082
ASSI { 968}
(( segid " A" and resid 88 and name HN ))
(( segid " A" and resid 86 and name HN ))
4.185 2.092 2.092 peak 968 weight 1.00000E+00 volume -7.61148E+03 ppm1 7.934 ppm2 8.708
ASSI { 971}
( segid " A" and resid 98 and name HD1#)
(( segid " A" and resid 97 and name HN ))
3.704 1.852 1.852 peak 971 weight 1.00000E+00 volume -1.66465E+04 ppm1 7.875 ppm2 0.666
ASSI { 972}
(( segid " A" and resid 97 and name HN ))
(( segid " A" and resid 96 and name HB2 ))
3.345 1.625 1.673 peak 972 weight 1.00000E+00 volume -3.66732E+04 ppm1 7.875 ppm2 2.500
ASSI { 974}
(( segid " A" and resid 97 and name HN ))
(( segid " A" and resid 94 and name HB2 ))
3.524 1.762 1.762 peak 974 weight 1.00000E+00 volume -2.31836E+04 ppm1 7.880 ppm2 4.065
ASSI { 980}
(( segid " A" and resid 104 and name HN ))
(( segid " A" and resid 102 and name HN ))
6.385 3.192 1.615 peak 980 weight 1.00000E+00 volume 1.78356E+03 ppm1 7.328 ppm2 7.932
ASSI { 982}
(( segid " A" and resid 107 and name HN ))
(( segid " A" and resid 106 and name HB2 ))
3.303 1.583 1.651 peak 982 weight 1.00000E+00 volume -3.12971E+04 ppm1 9.094 ppm2 1.732
ASSI { 986}
(( segid " A" and resid 109 and name HN ))
(( segid " A" and resid 108 and name HA2 ))
3.056 1.336 1.528 peak 986 weight 1.00000E+00 volume -8.67797E+05 ppm1 8.113 ppm2 4.428
ASSI { 989}
(( segid " A" and resid 116 and name HN ))
(( segid " A" and resid 119 and name HN ))
3.769 1.885 1.885 peak 989 weight 1.00000E+00 volume -2.46311E+05 ppm1 8.852 ppm2 7.956
ASSI { 990}
(( segid " A" and resid 116 and name HN ))
(( segid " A" and resid 116 and name HA ))
3.584 1.792 1.792 peak 990 weight 1.00000E+00 volume -3.33205E+05 ppm1 8.854 ppm2 4.894
ASSI { 992}
(( segid " A" and resid 119 and name HN ))
(( segid " A" and resid 115 and name HB ))
3.953 1.976 1.976 peak 992 weight 1.00000E+00 volume -1.85224E+05 ppm1 7.952 ppm2 3.710
ASSI { 996}
(( segid " A" and resid 124 and name HN ))
( segid " A" and resid 123 and name HG1#)
2.919 1.199 1.459 peak 996 weight 1.00000E+00 volume -8.38726E+04 ppm1 9.184 ppm2 0.539
ASSI { 997}
(( segid " A" and resid 124 and name HN ))
(( segid " A" and resid 123 and name HA ))
2.355 0.635 1.177 peak 997 weight 1.00000E+00 volume -2.24855E+05 ppm1 9.189 ppm2 4.676
ASSI { 998}
(( segid " A" and resid 125 and name HN ))
(( segid " A" and resid 124 and name HA ))
2.663 0.943 1.332 peak 998 weight 1.00000E+00 volume -1.97895E+06 ppm1 8.809 ppm2 4.633
ASSI { 1000}
(( segid " A" and resid 128 and name HB ))
(( segid " A" and resid 128 and name HN ))
4.208 2.104 2.104 peak 1000 weight 1.00000E+00 volume -1.27130E+05 ppm1 7.412 ppm2 3.948
ASSI { 1002}
(( segid " A" and resid 176 and name HN ))
(( segid " A" and resid 129 and name HN ))
3.848 1.924 1.924 peak 1002 weight 1.00000E+00 volume -2.17705E+05 ppm1 8.523 ppm2 8.294
ASSI { 1009}
(( segid " A" and resid 152 and name HN ))
(( segid " A" and resid 160 and name HN ))
3.575 1.787 1.787 peak 1009 weight 1.00000E+00 volume -3.38414E+05 ppm1 9.187 ppm2 8.886
ASSI { 1010}
(( segid " A" and resid 152 and name HN ))
( segid " A" and resid 162 and name HG1#)
3.077 1.357 1.539 peak 1010 weight 1.00000E+00 volume -8.31607E+05 ppm1 9.189 ppm2 0.539
ASSI { 1016}
(( segid " A" and resid 156 and name HN ))
(( segid " A" and resid 155 and name HN ))
3.961 1.981 1.981 peak 1016 weight 1.00000E+00 volume -1.82798E+05 ppm1 6.730 ppm2 8.385
ASSI { 1017}
(( segid " A" and resid 158 and name HN ))
(( segid " A" and resid 156 and name HN ))
4.097 2.048 2.048 peak 1017 weight 1.00000E+00 volume -1.49417E+05 ppm1 6.720 ppm2 7.052
ASSI { 1019}
(( segid " A" and resid 156 and name HN ))
(( segid " A" and resid 155 and name HA ))
3.743 1.872 1.872 peak 1019 weight 1.00000E+00 volume -2.56640E+05 ppm1 6.728 ppm2 4.277
ASSI { 1023}
(( segid " A" and resid 162 and name HN ))
(( segid " A" and resid 149 and name HB ))
3.963 1.982 1.982 peak 1023 weight 1.00000E+00 volume -1.82235E+05 ppm1 9.282 ppm2 3.925
ASSI { 1026}
(( segid " A" and resid 166 and name HN ))
(( segid " A" and resid 164 and name HN ))
4.850 2.425 2.425 peak 1026 weight 1.00000E+00 volume -5.42828E+04 ppm1 6.730 ppm2 7.793
ASSI { 1028}
(( segid " A" and resid 166 and name HN ))
(( segid " A" and resid 165 and name HN ))
4.226 2.113 2.113 peak 1028 weight 1.00000E+00 volume -1.23987E+05 ppm1 6.734 ppm2 6.476
ASSI { 1029}
(( segid " A" and resid 174 and name HN ))
(( segid " A" and resid 128 and name HA ))
3.586 1.793 1.793 peak 1029 weight 1.00000E+00 volume -3.32100E+05 ppm1 8.978 ppm2 5.451
ASSI { 1030}
(( segid " A" and resid 176 and name HN ))
(( segid " A" and resid 129 and name HN ))
3.717 1.858 1.858 peak 1030 weight 1.00000E+00 volume -2.67895E+05 ppm1 8.276 ppm2 8.500
ASSI { 1031}
(( segid " A" and resid 176 and name HN ))
(( segid " A" and resid 175 and name HA ))
2.712 0.992 1.356 peak 1031 weight 1.00000E+00 volume -1.04481E+05 ppm1 8.280 ppm2 4.805
ASSI { 1033}
(( segid " A" and resid 176 and name HN ))
( segid " A" and resid 128 and name HG2#)
3.256 1.536 1.628 peak 1033 weight 1.00000E+00 volume -4.27938E+04 ppm1 8.280 ppm2 0.958
ASSI { 1034}
(( segid " A" and resid 113 and name HN ))
(( segid " A" and resid 113 and name HB ))
2.907 1.187 1.454 peak 1034 weight 1.00000E+00 volume -7.48447E+04 ppm1 9.082 ppm2 1.657
ASSI { 1035}
(( segid " A" and resid 37 and name HN ))
(( segid " A" and resid 37 and name HB ))
3.053 1.333 1.526 peak 1035 weight 1.00000E+00 volume -8.72523E+05 ppm1 9.307 ppm2 1.663
ASSI { 1036}
(( segid " A" and resid 13 and name HN ))
(( segid " A" and resid 12 and name HA ))
2.889 1.169 1.444 peak 1036 weight 1.00000E+00 volume -1.21544E+06 ppm1 9.073 ppm2 5.643
ASSI { 1039}
(( segid " A" and resid 13 and name HN ))
(( segid " A" and resid 13 and name HB ))
3.966 1.983 1.983 peak 1039 weight 1.00000E+00 volume -1.81594E+05 ppm1 9.070 ppm2 1.769
ASSI { 1040}
(( segid " A" and resid 13 and name HN ))
( segid " A" and resid 13 and name HD1#)
3.123 1.403 1.561 peak 1040 weight 1.00000E+00 volume -7.61497E+05 ppm1 9.072 ppm2 0.496
ASSI { 1041}
(( segid " A" and resid 20 and name HN ))
(( segid " A" and resid 20 and name HB2 ))
4.076 2.038 2.038 peak 1041 weight 1.00000E+00 volume -1.54016E+05 ppm1 8.959 ppm2 2.605
ASSI { 1057}
(( segid " A" and resid 3 and name HN ))
(( segid " A" and resid 2 and name HA ))
4.188 2.094 2.094 peak 1057 weight 1.00000E+00 volume -1.30807E+05 ppm1 8.959 ppm2 4.347
ASSI { 1062}
(( segid " A" and resid 4 and name HN ))
(( segid " A" and resid 5 and name HA ))
3.947 1.973 1.973 peak 1062 weight 1.00000E+00 volume -1.86790E+05 ppm1 8.338 ppm2 4.235
ASSI { 1065}
(( segid " A" and resid 6 and name HN ))
( segid " A" and resid 4 and name HG1#)
3.134 1.414 1.567 peak 1065 weight 1.00000E+00 volume -7.45698E+05 ppm1 7.930 ppm2 0.713
ASSI { 1076}
(( segid " A" and resid 8 and name HA ))
(( segid " A" and resid 9 and name HN ))
3.753 1.876 1.876 peak 1076 weight 1.00000E+00 volume -2.52944E+05 ppm1 8.917 ppm2 4.701
ASSI { 1078}
(( segid " A" and resid 11 and name HN ))
(( segid " A" and resid 22 and name HN ))
4.721 2.360 2.360 peak 1078 weight 1.00000E+00 volume -8.86624E+03 ppm1 7.149 ppm2 8.906
ASSI { 1079}
(( segid " A" and resid 11 and name HN ))
(( segid " A" and resid 12 and name HN ))
5.151 2.576 2.576 peak 1079 weight 1.00000E+00 volume -3.69276E+03 ppm1 7.143 ppm2 7.988
ASSI { 1080}
(( segid " A" and resid 11 and name HN ))
(( segid " A" and resid 8 and name HN ))
4.640 2.320 2.320 peak 1080 weight 1.00000E+00 volume 7.30913E+03 ppm1 7.146 ppm2 6.105
ASSI { 1086}
(( segid " A" and resid 11 and name HN ))
(( segid " A" and resid 12 and name HN ))
5.162 2.581 2.581 peak 1086 weight 1.00000E+00 volume -3.73094E+04 ppm1 7.974 ppm2 7.147
ASSI { 1087}
(( segid " A" and resid 13 and name HN ))
(( segid " A" and resid 21 and name HA ))
3.409 1.689 1.705 peak 1087 weight 1.00000E+00 volume -1.28948E+04 ppm1 9.086 ppm2 5.211
ASSI { 1088}
(( segid " A" and resid 13 and name HN ))
(( segid " A" and resid 19 and name HA ))
3.107 1.387 1.554 peak 1088 weight 1.00000E+00 volume -3.65577E+04 ppm1 9.084 ppm2 5.091
ASSI { 1090}
(( segid " A" and resid 13 and name HN ))
(( segid " A" and resid 12 and name HB ))
3.307 1.587 1.653 peak 1090 weight 1.00000E+00 volume -5.40069E+05 ppm1 9.091 ppm2 3.948
ASSI { 1096}
(( segid " A" and resid 14 and name HN ))
( segid " A" and resid 63 and name HB# )
3.298 1.578 1.649 peak 1096 weight 1.00000E+00 volume -5.48949E+05 ppm1 8.829 ppm2 0.849
ASSI { 1098}
(( segid " A" and resid 14 and name HN ))
(( segid " A" and resid 13 and name HB ))
2.892 1.172 1.446 peak 1098 weight 1.00000E+00 volume -8.75383E+04 ppm1 8.827 ppm2 1.768
ASSI { 1101}
(( segid " A" and resid 15 and name HN ))
(( segid " A" and resid 14 and name HB1 ))
4.729 2.365 2.365 peak 1101 weight 1.00000E+00 volume -1.36920E+04 ppm1 8.630 ppm2 3.707
ASSI { 1103}
(( segid " A" and resid 62 and name HB2 ))
(( segid " A" and resid 2 and name HN ))
4.052 2.026 2.026 peak 1103 weight 1.00000E+00 volume -2.18407E+03 ppm1 9.002 ppm2 1.936
ASSI { 1104}
(( segid " A" and resid 2 and name HB ))
(( segid " A" and resid 2 and name HN ))
4.238 2.119 2.119 peak 1104 weight 1.00000E+00 volume 1.50996E+02 ppm1 9.002 ppm2 1.731
ASSI { 1105}
(( segid " A" and resid 3 and name HN ))
(( segid " A" and resid 2 and name HB ))
4.016 2.008 2.008 peak 1105 weight 1.00000E+00 volume -1.16229E+04 ppm1 8.956 ppm2 1.733
ASSI { 1106}
(( segid " A" and resid 3 and name HN ))
(( segid " A" and resid 2 and name HN ))
3.076 1.356 1.538 peak 1106 weight 1.00000E+00 volume -2.83156E+04 ppm1 8.954 ppm2 9.004
ASSI { 1107}
(( segid " A" and resid 6 and name HN ))
(( segid " A" and resid 3 and name HN ))
6.336 3.168 1.664 peak 1107 weight 1.00000E+00 volume 1.09176E+04 ppm1 8.954 ppm2 7.930
ASSI { 1108}
(( segid " A" and resid 3 and name HN ))
(( segid " A" and resid 6 and name HB2 ))
4.743 2.371 2.371 peak 1108 weight 1.00000E+00 volume -6.20546E+04 ppm1 8.968 ppm2 2.892
ASSI { 1109}
(( segid " A" and resid 4 and name HN ))
(( segid " A" and resid 4 and name HA ))
4.447 2.224 2.224 peak 1109 weight 1.00000E+00 volume -9.13044E+04 ppm1 8.336 ppm2 4.434
ASSI { 1110}
(( segid " A" and resid 4 and name HN ))
(( segid " A" and resid 5 and name HN ))
4.927 2.464 2.464 peak 1110 weight 1.00000E+00 volume -4.69109E+03 ppm1 7.853 ppm2 8.315
ASSI { 1112}
( segid " A" and resid 56 and name HB# )
(( segid " A" and resid 5 and name HN ))
4.811 2.405 2.405 peak 1112 weight 1.00000E+00 volume -5.69698E+04 ppm1 7.856 ppm2 1.300
ASSI { 1113}
(( segid " A" and resid 6 and name HN ))
( segid " A" and resid 37 and name HG1#)
4.384 2.192 2.192 peak 1113 weight 1.00000E+00 volume -9.95117E+04 ppm1 7.932 ppm2 0.578
ASSI { 1115}
(( segid " A" and resid 6 and name HN ))
(( segid " A" and resid 6 and name HA ))
2.603 0.883 1.302 peak 1115 weight 1.00000E+00 volume -2.27000E+06 ppm1 7.928 ppm2 4.757
ASSI { 1116}
(( segid " A" and resid 6 and name HN ))
(( segid " A" and resid 5 and name HN ))
2.835 1.115 1.418 peak 1116 weight 1.00000E+00 volume -1.47187E+04 ppm1 7.929 ppm2 7.856
ASSI { 1119}
(( segid " A" and resid 7 and name HN ))
(( segid " A" and resid 6 and name HB2 ))
5.080 2.540 2.540 peak 1119 weight 1.00000E+00 volume -4.10809E+04 ppm1 7.062 ppm2 2.910
ASSI { 1121}
(( segid " A" and resid 7 and name HN ))
(( segid " A" and resid 7 and name HB1 ))
3.591 1.795 1.795 peak 1121 weight 1.00000E+00 volume -3.29575E+05 ppm1 7.060 ppm2 2.318
ASSI { 1122}
( segid " A" and resid 22 and name HG2#)
(( segid " A" and resid 8 and name HN ))
6.530 3.265 1.470 peak 1122 weight 1.00000E+00 volume -9.10901E+03 ppm1 6.125 ppm2 0.334
ASSI { 1123}
( segid " A" and resid 22 and name HG1#)
(( segid " A" and resid 8 and name HN ))
3.570 1.785 1.785 peak 1123 weight 1.00000E+00 volume -1.20876E+04 ppm1 6.124 ppm2 0.702
ASSI { 1125}
(( segid " A" and resid 11 and name HN ))
(( segid " A" and resid 8 and name HN ))
4.010 2.005 2.005 peak 1125 weight 1.00000E+00 volume -1.09898E+04 ppm1 6.122 ppm2 7.151
ASSI { 1126}
( segid " A" and resid 22 and name HG1#)
(( segid " A" and resid 9 and name HN ))
5.004 2.502 2.502 peak 1126 weight 1.00000E+00 volume -4.49583E+04 ppm1 8.922 ppm2 0.701
ASSI { 1127}
(( segid " A" and resid 10 and name HN ))
( segid " A" and resid 22 and name HG2#)
4.208 2.104 2.104 peak 1127 weight 1.00000E+00 volume -9.50402E+03 ppm1 9.188 ppm2 0.332
ASSI { 1129}
(( segid " A" and resid 10 and name HN ))
( segid " A" and resid 9 and name HG2#)
3.952 1.976 1.976 peak 1129 weight 1.00000E+00 volume -1.85473E+05 ppm1 9.187 ppm2 0.815
ASSI { 1130}
(( segid " A" and resid 10 and name HN ))
(( segid " A" and resid 9 and name HA ))
3.229 1.509 1.614 peak 1130 weight 1.00000E+00 volume -6.23201E+05 ppm1 9.186 ppm2 3.766
ASSI { 1131}
(( segid " A" and resid 10 and name HN ))
(( segid " A" and resid 9 and name HB ))
3.923 1.961 1.961 peak 1131 weight 1.00000E+00 volume -1.57249E+04 ppm1 9.187 ppm2 4.180
ASSI { 1132}
(( segid " A" and resid 10 and name HN ))
(( segid " A" and resid 11 and name HA ))
4.002 2.001 2.001 peak 1132 weight 1.00000E+00 volume -1.40977E+04 ppm1 9.188 ppm2 4.228
ASSI { 1133}
(( segid " A" and resid 10 and name HN ))
(( segid " A" and resid 23 and name HA ))
3.650 1.825 1.825 peak 1133 weight 1.00000E+00 volume -9.43268E+03 ppm1 9.188 ppm2 4.390
ASSI { 1134}
(( segid " A" and resid 10 and name HN ))
(( segid " A" and resid 9 and name HN ))
6.435 3.218 1.565 peak 1134 weight 1.00000E+00 volume -9.94250E+03 ppm1 9.187 ppm2 8.915
ASSI { 1135}
(( segid " A" and resid 10 and name HN ))
(( segid " A" and resid 22 and name HN ))
6.435 3.218 1.565 peak 1135 weight 1.00000E+00 volume -9.94250E+03 ppm1 9.187 ppm2 8.916
ASSI { 1137}
(( segid " A" and resid 10 and name HN ))
(( segid " A" and resid 23 and name HN ))
3.800 1.900 1.900 peak 1137 weight 1.00000E+00 volume -2.34673E+05 ppm1 9.187 ppm2 9.090
ASSI { 1138}
(( segid " A" and resid 11 and name HN ))
(( segid " A" and resid 9 and name HN ))
4.721 2.360 2.360 peak 1138 weight 1.00000E+00 volume -6.37952E+04 ppm1 7.150 ppm2 8.915
ASSI { 1140}
(( segid " A" and resid 11 and name HN ))
(( segid " A" and resid 9 and name HA ))
3.952 1.976 1.976 peak 1140 weight 1.00000E+00 volume -1.03266E+04 ppm1 7.146 ppm2 3.766
ASSI { 1141}
(( segid " A" and resid 11 and name HN ))
( segid " A" and resid 9 and name HG2#)
3.345 1.625 1.672 peak 1141 weight 1.00000E+00 volume -2.24872E+04 ppm1 7.151 ppm2 0.816
ASSI { 1143}
(( segid " A" and resid 21 and name HA ))
(( segid " A" and resid 12 and name HN ))
4.801 2.400 2.400 peak 1143 weight 1.00000E+00 volume -6.81368E+03 ppm1 7.971 ppm2 5.214
ASSI { 1144}
(( segid " A" and resid 12 and name HN ))
(( segid " A" and resid 63 and name HN ))
3.750 1.875 1.875 peak 1144 weight 1.00000E+00 volume -2.54117E+05 ppm1 7.974 ppm2 7.847
ASSI { 1145}
(( segid " A" and resid 13 and name HN ))
(( segid " A" and resid 12 and name HN ))
4.700 2.350 2.350 peak 1145 weight 1.00000E+00 volume 6.54836E+04 ppm1 7.975 ppm2 9.088
ASSI { 1146}
(( segid " A" and resid 13 and name HN ))
(( segid " A" and resid 21 and name HN ))
4.064 2.032 2.032 peak 1146 weight 1.00000E+00 volume -6.18504E+03 ppm1 9.089 ppm2 9.275
ASSI { 1147}
(( segid " A" and resid 13 and name HN ))
(( segid " A" and resid 20 and name HN ))
3.180 1.460 1.590 peak 1147 weight 1.00000E+00 volume -1.39327E+04 ppm1 9.089 ppm2 8.958
ASSI { 1148}
(( segid " A" and resid 13 and name HN ))
(( segid " A" and resid 22 and name HN ))
4.263 2.132 2.132 peak 1148 weight 1.00000E+00 volume 6.60859E+01 ppm1 9.090 ppm2 8.916
ASSI { 1149}
(( segid " A" and resid 13 and name HN ))
(( segid " A" and resid 14 and name HN ))
4.164 2.082 2.082 peak 1149 weight 1.00000E+00 volume 4.12027E+03 ppm1 9.090 ppm2 8.830
ASSI { 1150}
(( segid " A" and resid 13 and name HN ))
(( segid " A" and resid 14 and name HA ))
3.288 1.568 1.644 peak 1150 weight 1.00000E+00 volume -2.78572E+04 ppm1 9.090 ppm2 5.600
ASSI { 1151}
(( segid " A" and resid 13 and name HN ))
(( segid " A" and resid 20 and name HA ))
4.601 2.301 2.301 peak 1151 weight 1.00000E+00 volume 5.29138E+03 ppm1 9.090 ppm2 5.547
ASSI { 1152}
(( segid " A" and resid 13 and name HN ))
(( segid " A" and resid 13 and name HA ))
3.314 1.594 1.657 peak 1152 weight 1.00000E+00 volume -1.50334E+04 ppm1 9.090 ppm2 5.036
ASSI { 1154}
(( segid " A" and resid 13 and name HN ))
( segid " A" and resid 63 and name HB# )
2.836 1.116 1.418 peak 1154 weight 1.00000E+00 volume -1.35666E+06 ppm1 9.089 ppm2 0.849
ASSI { 1156}
(( segid " A" and resid 13 and name HN ))
( segid " A" and resid 22 and name HG2#)
4.951 2.476 2.476 peak 1156 weight 1.00000E+00 volume 4.79288E+04 ppm1 9.089 ppm2 0.332
ASSI { 1158}
(( segid " A" and resid 14 and name HN ))
(( segid " A" and resid 62 and name HA ))
3.148 1.428 1.574 peak 1158 weight 1.00000E+00 volume -7.25507E+05 ppm1 8.830 ppm2 4.603
ASSI { 1160}
(( segid " A" and resid 15 and name HN ))
(( segid " A" and resid 14 and name HN ))
3.911 1.956 1.956 peak 1160 weight 1.00000E+00 volume -1.08481E+04 ppm1 8.829 ppm2 8.630
ASSI { 1161}
(( segid " A" and resid 20 and name HN ))
(( segid " A" and resid 14 and name HN ))
3.663 1.832 1.832 peak 1161 weight 1.00000E+00 volume -2.92258E+05 ppm1 8.830 ppm2 8.955
ASSI { 1162}
(( segid " A" and resid 15 and name HN ))
(( segid " A" and resid 17 and name HN ))
4.061 2.030 2.030 peak 1162 weight 1.00000E+00 volume 2.01236E+03 ppm1 8.629 ppm2 8.879
ASSI { 1163}
(( segid " A" and resid 15 and name HN ))
(( segid " A" and resid 14 and name HN ))
4.174 2.087 2.087 peak 1163 weight 1.00000E+00 volume 4.64751E+03 ppm1 8.628 ppm2 8.829
ASSI { 1169}
(( segid " A" and resid 18 and name HN ))
(( segid " A" and resid 17 and name HB1 ))
4.262 2.131 2.131 peak 1169 weight 1.00000E+00 volume -1.17848E+05 ppm1 7.867 ppm2 2.900
ASSI { 1171}
(( segid " A" and resid 18 and name HN ))
(( segid " A" and resid 19 and name HN ))
4.798 2.399 2.399 peak 1171 weight 1.00000E+00 volume -5.78541E+04 ppm1 7.541 ppm2 7.868
ASSI { 1172}
(( segid " A" and resid 44 and name HN ))
(( segid " A" and resid 19 and name HN ))
5.173 2.587 2.587 peak 1172 weight 1.00000E+00 volume -3.68346E+04 ppm1 7.539 ppm2 8.363
ASSI { 1173}
(( segid " A" and resid 20 and name HN ))
(( segid " A" and resid 19 and name HN ))
5.932 2.966 2.068 peak 1173 weight 1.00000E+00 volume -1.62109E+04 ppm1 7.543 ppm2 8.958
ASSI { 1174}
(( segid " A" and resid 20 and name HN ))
(( segid " A" and resid 21 and name HN ))
3.597 1.799 1.799 peak 1174 weight 1.00000E+00 volume -3.26011E+05 ppm1 8.956 ppm2 9.275
ASSI { 1175}
(( segid " A" and resid 13 and name HN ))
(( segid " A" and resid 20 and name HN ))
3.392 1.672 1.696 peak 1175 weight 1.00000E+00 volume -1.56608E+04 ppm1 8.957 ppm2 9.090
ASSI { 1176}
(( segid " A" and resid 20 and name HN ))
(( segid " A" and resid 14 and name HN ))
3.463 1.732 1.732 peak 1176 weight 1.00000E+00 volume -4.09427E+05 ppm1 8.957 ppm2 8.830
ASSI { 1178}
(( segid " A" and resid 20 and name HN ))
(( segid " A" and resid 12 and name HA ))
3.537 1.769 1.769 peak 1178 weight 1.00000E+00 volume -2.57670E+04 ppm1 8.957 ppm2 5.639
ASSI { 1179}
(( segid " A" and resid 20 and name HN ))
(( segid " A" and resid 14 and name HA ))
3.083 1.363 1.541 peak 1179 weight 1.00000E+00 volume -4.37367E+04 ppm1 8.956 ppm2 5.600
ASSI { 1180}
(( segid " A" and resid 20 and name HN ))
(( segid " A" and resid 20 and name HA ))
2.848 1.128 1.424 peak 1180 weight 1.00000E+00 volume -6.59634E+04 ppm1 8.957 ppm2 5.538
ASSI { 1181}
(( segid " A" and resid 20 and name HN ))
(( segid " A" and resid 21 and name HA ))
3.547 1.774 1.774 peak 1181 weight 1.00000E+00 volume -3.54502E+05 ppm1 8.956 ppm2 5.224
ASSI { 1183}
(( segid " A" and resid 20 and name HN ))
(( segid " A" and resid 19 and name HB ))
3.518 1.759 1.759 peak 1183 weight 1.00000E+00 volume -3.72655E+05 ppm1 8.957 ppm2 1.769
ASSI { 1185}
(( segid " A" and resid 20 and name HN ))
( segid " A" and resid 63 and name HB# )
2.908 1.188 1.454 peak 1185 weight 1.00000E+00 volume -5.26098E+04 ppm1 8.956 ppm2 0.849
ASSI { 1188}
(( segid " A" and resid 20 and name HE1 ))
(( segid " A" and resid 15 and name HB ))
3.368 1.648 1.684 peak 1188 weight 1.00000E+00 volume -4.83886E+05 ppm1 10.150 ppm2 2.099
ASSI { 1189}
(( segid " A" and resid 21 and name HN ))
(( segid " A" and resid 42 and name HN ))
2.587 0.867 1.294 peak 1189 weight 1.00000E+00 volume -2.35543E+06 ppm1 9.274 ppm2 9.349
ASSI { 1191}
(( segid " A" and resid 20 and name HN ))
(( segid " A" and resid 21 and name HN ))
4.350 2.175 2.175 peak 1191 weight 1.00000E+00 volume -1.04295E+05 ppm1 9.279 ppm2 8.956
ASSI { 1192}
(( segid " A" and resid 22 and name HN ))
(( segid " A" and resid 21 and name HN ))
5.027 2.514 2.514 peak 1192 weight 1.00000E+00 volume -6.30982E+03 ppm1 9.269 ppm2 8.916
ASSI { 1193}
(( segid " A" and resid 13 and name HN ))
(( segid " A" and resid 21 and name HN ))
4.565 2.282 2.282 peak 1193 weight 1.00000E+00 volume -7.80875E+04 ppm1 9.282 ppm2 9.090
ASSI { 1194}
(( segid " A" and resid 44 and name HN ))
(( segid " A" and resid 21 and name HN ))
5.051 2.526 2.526 peak 1194 weight 1.00000E+00 volume 4.25043E+04 ppm1 9.275 ppm2 8.358
ASSI { 1196}
(( segid " A" and resid 21 and name HN ))
(( segid " A" and resid 12 and name HA ))
3.717 1.858 1.858 peak 1196 weight 1.00000E+00 volume -2.67925E+05 ppm1 9.275 ppm2 5.640
ASSI { 1197}
(( segid " A" and resid 21 and name HN ))
(( segid " A" and resid 42 and name HA ))
3.739 1.870 1.870 peak 1197 weight 1.00000E+00 volume -2.58455E+05 ppm1 9.275 ppm2 5.347
ASSI { 1198}
(( segid " A" and resid 21 and name HN ))
(( segid " A" and resid 41 and name HA ))
3.576 1.788 1.788 peak 1198 weight 1.00000E+00 volume -3.37712E+05 ppm1 9.274 ppm2 5.328
ASSI { 1199}
(( segid " A" and resid 21 and name HN ))
(( segid " A" and resid 22 and name HA ))
4.922 2.461 2.461 peak 1199 weight 1.00000E+00 volume -4.96906E+04 ppm1 9.273 ppm2 3.992
ASSI { 1200}
(( segid " A" and resid 21 and name HN ))
(( segid " A" and resid 43 and name HA ))
4.309 2.155 2.155 peak 1200 weight 1.00000E+00 volume -1.10318E+05 ppm1 9.274 ppm2 3.926
ASSI { 1201}
(( segid " A" and resid 21 and name HN ))
(( segid " A" and resid 20 and name HB2 ))
4.644 2.322 2.322 peak 1201 weight 1.00000E+00 volume -7.03907E+04 ppm1 9.276 ppm2 2.608
ASSI { 1202}
(( segid " A" and resid 21 and name HN ))
(( segid " A" and resid 42 and name HB2 ))
3.588 1.794 1.794 peak 1202 weight 1.00000E+00 volume -3.31100E+05 ppm1 9.274 ppm2 1.810
ASSI { 1203}
(( segid " A" and resid 21 and name HN ))
(( segid " A" and resid 41 and name HB2 ))
2.835 1.115 1.417 peak 1203 weight 1.00000E+00 volume -1.36097E+06 ppm1 9.275 ppm2 1.586
ASSI { 1204}
(( segid " A" and resid 21 and name HN ))
(( segid " A" and resid 44 and name HB2 ))
3.357 1.637 1.678 peak 1204 weight 1.00000E+00 volume -1.58808E+04 ppm1 9.274 ppm2 1.476
ASSI { 1205}
(( segid " A" and resid 21 and name HN ))
( segid " A" and resid 41 and name HD1#)
3.112 1.392 1.556 peak 1205 weight 1.00000E+00 volume -5.07133E+04 ppm1 9.274 ppm2 0.791
ASSI { 1208}
(( segid " A" and resid 22 and name HN ))
( segid " A" and resid 41 and name HD1#)
3.335 1.615 1.668 peak 1208 weight 1.00000E+00 volume -5.13267E+05 ppm1 8.915 ppm2 0.792
ASSI { 1209}
(( segid " A" and resid 22 and name HN ))
(( segid " A" and resid 11 and name HB2 ))
3.485 1.742 1.742 peak 1209 weight 1.00000E+00 volume -3.94233E+05 ppm1 8.914 ppm2 1.384
ASSI { 1210}
(( segid " A" and resid 22 and name HN ))
(( segid " A" and resid 21 and name HB2 ))
3.277 1.557 1.638 peak 1210 weight 1.00000E+00 volume -5.70430E+05 ppm1 8.914 ppm2 1.563
ASSI { 1212}
(( segid " A" and resid 22 and name HN ))
(( segid " A" and resid 21 and name HB1 ))
3.744 1.872 1.872 peak 1212 weight 1.00000E+00 volume -1.35020E+04 ppm1 8.914 ppm2 1.676
ASSI { 1214}
(( segid " A" and resid 22 and name HN ))
(( segid " A" and resid 23 and name HN ))
3.624 1.812 1.812 peak 1214 weight 1.00000E+00 volume -1.66903E+04 ppm1 8.916 ppm2 9.091
ASSI { 1215}
(( segid " A" and resid 13 and name HN ))
(( segid " A" and resid 22 and name HN ))
3.624 1.812 1.812 peak 1215 weight 1.00000E+00 volume -1.66903E+04 ppm1 8.916 ppm2 9.090
ASSI { 1216}
(( segid " A" and resid 10 and name HN ))
(( segid " A" and resid 23 and name HN ))
3.502 1.751 1.751 peak 1216 weight 1.00000E+00 volume -4.51256E+03 ppm1 9.091 ppm2 9.188
ASSI { 1217}
(( segid " A" and resid 23 and name HN ))
(( segid " A" and resid 41 and name HN ))
3.246 1.526 1.623 peak 1217 weight 1.00000E+00 volume -1.11601E+04 ppm1 9.089 ppm2 9.012
ASSI { 1218}
(( segid " A" and resid 22 and name HN ))
(( segid " A" and resid 23 and name HN ))
6.669 3.335 1.331 peak 1218 weight 1.00000E+00 volume -1.68904E+03 ppm1 9.092 ppm2 8.920
ASSI { 1219}
(( segid " A" and resid 23 and name HN ))
(( segid " A" and resid 40 and name HN ))
5.043 2.521 2.521 peak 1219 weight 1.00000E+00 volume -8.22515E+03 ppm1 9.090 ppm2 8.599
ASSI { 1220}
(( segid " A" and resid 23 and name HN ))
(( segid " A" and resid 41 and name HA ))
3.962 1.981 1.981 peak 1220 weight 1.00000E+00 volume -1.82563E+05 ppm1 9.089 ppm2 5.328
ASSI { 1222}
(( segid " A" and resid 23 and name HN ))
(( segid " A" and resid 24 and name HA ))
4.005 2.002 2.002 peak 1222 weight 1.00000E+00 volume -1.71137E+05 ppm1 9.083 ppm2 4.767
ASSI { 1224}
(( segid " A" and resid 23 and name HN ))
(( segid " A" and resid 22 and name HB ))
4.324 2.162 2.162 peak 1224 weight 1.00000E+00 volume -1.08117E+05 ppm1 9.087 ppm2 2.162
ASSI { 1227}
(( segid " A" and resid 23 and name HN ))
( segid " A" and resid 22 and name HG1#)
2.966 1.246 1.483 peak 1227 weight 1.00000E+00 volume -5.92917E+04 ppm1 9.090 ppm2 0.703
ASSI { 1228}
(( segid " A" and resid 23 and name HN ))
( segid " A" and resid 22 and name HG2#)
4.068 2.034 2.034 peak 1228 weight 1.00000E+00 volume -1.55766E+05 ppm1 9.090 ppm2 0.330
ASSI { 1229}
(( segid " A" and resid 24 and name HN ))
( segid " A" and resid 22 and name HG2#)
4.739 2.370 2.370 peak 1229 weight 1.00000E+00 volume 6.23278E+04 ppm1 8.000 ppm2 0.338
ASSI { 1230}
(( segid " A" and resid 24 and name HN ))
( segid " A" and resid 22 and name HG1#)
2.837 1.117 1.419 peak 1230 weight 1.00000E+00 volume -1.35450E+06 ppm1 7.997 ppm2 0.701
ASSI { 1231}
(( segid " A" and resid 24 and name HN ))
( segid " A" and resid 23 and name HG2#)
2.837 1.117 1.419 peak 1231 weight 1.00000E+00 volume -1.35450E+06 ppm1 7.997 ppm2 0.723
ASSI { 1233}
(( segid " A" and resid 24 and name HN ))
(( segid " A" and resid 23 and name HG12))
3.210 1.490 1.605 peak 1233 weight 1.00000E+00 volume -6.45863E+05 ppm1 7.997 ppm2 1.259
ASSI { 1234}
(( segid " A" and resid 24 and name HN ))
(( segid " A" and resid 23 and name HG11))
3.152 1.432 1.576 peak 1234 weight 1.00000E+00 volume -7.20286E+05 ppm1 7.997 ppm2 1.365
ASSI { 1237}
(( segid " A" and resid 24 and name HN ))
(( segid " A" and resid 41 and name HA ))
4.395 2.198 2.198 peak 1237 weight 1.00000E+00 volume -2.12829E+03 ppm1 7.997 ppm2 5.328
ASSI { 1238}
(( segid " A" and resid 24 and name HN ))
(( segid " A" and resid 39 and name HA ))
3.678 1.839 1.839 peak 1238 weight 1.00000E+00 volume -2.85210E+05 ppm1 7.997 ppm2 5.385
ASSI { 1239}
(( segid " A" and resid 24 and name HN ))
(( segid " A" and resid 25 and name HA ))
4.355 2.177 2.177 peak 1239 weight 1.00000E+00 volume -7.71696E+03 ppm1 7.996 ppm2 5.449
ASSI { 1240}
(( segid " A" and resid 24 and name HN ))
(( segid " A" and resid 25 and name HN ))
3.304 1.584 1.652 peak 1240 weight 1.00000E+00 volume -5.42786E+05 ppm1 7.991 ppm2 8.135
ASSI { 1241}
(( segid " A" and resid 24 and name HN ))
(( segid " A" and resid 25 and name HN ))
4.066 2.033 2.033 peak 1241 weight 1.00000E+00 volume -1.56329E+05 ppm1 8.158 ppm2 7.997
ASSI { 1242}
(( segid " A" and resid 39 and name HA ))
(( segid " A" and resid 25 and name HN ))
6.002 3.001 1.998 peak 1242 weight 1.00000E+00 volume -1.51122E+04 ppm1 8.154 ppm2 5.372
ASSI { 1243}
(( segid " A" and resid 26 and name HA ))
(( segid " A" and resid 25 and name HN ))
4.290 2.145 2.145 peak 1243 weight 1.00000E+00 volume -6.25912E+03 ppm1 8.148 ppm2 5.208
ASSI { 1244}
(( segid " A" and resid 24 and name HA ))
(( segid " A" and resid 25 and name HN ))
3.131 1.411 1.566 peak 1244 weight 1.00000E+00 volume -2.82657E+04 ppm1 8.152 ppm2 4.780
ASSI { 1245}
(( segid " A" and resid 25 and name HB1 ))
(( segid " A" and resid 25 and name HN ))
4.484 2.242 2.242 peak 1245 weight 1.00000E+00 volume -5.01918E+03 ppm1 8.144 ppm2 2.709
ASSI { 1246}
(( segid " A" and resid 26 and name HB2 ))
(( segid " A" and resid 25 and name HN ))
4.082 2.041 2.041 peak 1246 weight 1.00000E+00 volume -1.52710E+05 ppm1 8.152 ppm2 1.855
ASSI { 1247}
( segid " A" and resid 22 and name HG1#)
(( segid " A" and resid 25 and name HN ))
4.337 2.169 2.169 peak 1247 weight 1.00000E+00 volume -1.06077E+05 ppm1 8.151 ppm2 0.700
ASSI { 1248}
( segid " A" and resid 22 and name HG2#)
(( segid " A" and resid 25 and name HN ))
4.886 2.443 2.443 peak 1248 weight 1.00000E+00 volume -5.19242E+04 ppm1 8.156 ppm2 0.331
ASSI { 1250}
(( segid " A" and resid 26 and name HN ))
(( segid " A" and resid 38 and name HB1 ))
3.915 1.958 1.958 peak 1250 weight 1.00000E+00 volume -1.20952E+04 ppm1 8.711 ppm2 1.694
ASSI { 1253}
(( segid " A" and resid 26 and name HN ))
(( segid " A" and resid 25 and name HB1 ))
3.552 1.776 1.776 peak 1253 weight 1.00000E+00 volume -3.51906E+05 ppm1 8.717 ppm2 2.707
ASSI { 1254}
(( segid " A" and resid 26 and name HN ))
(( segid " A" and resid 25 and name HB2 ))
3.772 1.886 1.886 peak 1254 weight 1.00000E+00 volume -2.45382E+05 ppm1 8.717 ppm2 3.181
ASSI { 1255}
(( segid " A" and resid 26 and name HN ))
(( segid " A" and resid 39 and name HB2 ))
4.186 2.093 2.093 peak 1255 weight 1.00000E+00 volume 2.87469E+03 ppm1 8.717 ppm2 3.920
ASSI { 1259}
(( segid " A" and resid 26 and name HN ))
(( segid " A" and resid 39 and name HA ))
2.881 1.161 1.441 peak 1259 weight 1.00000E+00 volume -1.23437E+06 ppm1 8.716 ppm2 5.385
ASSI { 1261}
(( segid " A" and resid 26 and name HN ))
(( segid " A" and resid 27 and name HN ))
3.526 1.763 1.763 peak 1261 weight 1.00000E+00 volume -3.67244E+05 ppm1 8.711 ppm2 8.922
ASSI { 1262}
(( segid " A" and resid 26 and name HN ))
(( segid " A" and resid 39 and name HN ))
4.682 2.341 2.341 peak 1262 weight 1.00000E+00 volume -6.70204E+04 ppm1 8.705 ppm2 8.984
ASSI { 1264}
(( segid " A" and resid 28 and name HN ))
(( segid " A" and resid 27 and name HN ))
3.276 1.556 1.638 peak 1264 weight 1.00000E+00 volume -5.71843E+05 ppm1 8.921 ppm2 8.839
ASSI { 1265}
(( segid " A" and resid 27 and name HN ))
(( segid " A" and resid 26 and name HA ))
2.971 1.251 1.486 peak 1265 weight 1.00000E+00 volume -1.02633E+06 ppm1 8.921 ppm2 5.207
ASSI { 1266}
( segid " A" and resid 37 and name HG1#)
(( segid " A" and resid 27 and name HN ))
4.038 2.019 2.019 peak 1266 weight 1.00000E+00 volume -8.57468E+03 ppm1 8.918 ppm2 0.568
ASSI { 1267}
(( segid " A" and resid 28 and name HN ))
( segid " A" and resid 37 and name HG1#)
2.817 1.097 1.409 peak 1267 weight 1.00000E+00 volume -8.29680E+04 ppm1 8.838 ppm2 0.568
ASSI { 1268}
(( segid " A" and resid 28 and name HN ))
(( segid " A" and resid 38 and name HB1 ))
4.075 2.038 2.038 peak 1268 weight 1.00000E+00 volume -1.54145E+05 ppm1 8.837 ppm2 1.694
ASSI { 1270}
(( segid " A" and resid 28 and name HN ))
(( segid " A" and resid 27 and name HB2 ))
3.508 1.754 1.754 peak 1270 weight 1.00000E+00 volume -3.78772E+05 ppm1 8.838 ppm2 2.964
ASSI { 1272}
(( segid " A" and resid 28 and name HN ))
(( segid " A" and resid 37 and name HA ))
2.567 0.847 1.284 peak 1272 weight 1.00000E+00 volume -2.46639E+06 ppm1 8.839 ppm2 4.834
ASSI { 1273}
(( segid " A" and resid 36 and name HN ))
(( segid " A" and resid 28 and name HN ))
3.959 1.979 1.979 peak 1273 weight 1.00000E+00 volume -1.83482E+05 ppm1 8.838 ppm2 8.635
ASSI { 1278}
( segid " A" and resid 35 and name HB# )
(( segid " A" and resid 29 and name HN ))
4.666 2.333 2.333 peak 1278 weight 1.00000E+00 volume 6.12117E+02 ppm1 8.450 ppm2 1.439
ASSI { 1279}
( segid " A" and resid 28 and name HG1#)
(( segid " A" and resid 29 and name HN ))
4.116 2.058 2.058 peak 1279 weight 1.00000E+00 volume -9.84426E+03 ppm1 8.448 ppm2 0.581
ASSI { 1280}
(( segid " A" and resid 35 and name HN ))
(( segid " A" and resid 34 and name HB2 ))
4.453 2.226 2.226 peak 1280 weight 1.00000E+00 volume -6.05084E+03 ppm1 8.334 ppm2 3.856
ASSI { 1281}
( segid " A" and resid 56 and name HB# )
(( segid " A" and resid 35 and name HN ))
4.234 2.117 2.117 peak 1281 weight 1.00000E+00 volume -8.00946E+03 ppm1 8.331 ppm2 1.299
ASSI { 1283}
(( segid " A" and resid 36 and name HN ))
( segid " A" and resid 28 and name HG1#)
3.447 1.724 1.724 peak 1283 weight 1.00000E+00 volume -3.70027E+04 ppm1 8.633 ppm2 0.581
ASSI { 1284}
(( segid " A" and resid 36 and name HN ))
( segid " A" and resid 56 and name HB# )
4.129 2.065 2.065 peak 1284 weight 1.00000E+00 volume -1.15356E+04 ppm1 8.634 ppm2 1.297
ASSI { 1287}
(( segid " A" and resid 36 and name HN ))
(( segid " A" and resid 37 and name HN ))
4.577 2.288 2.288 peak 1287 weight 1.00000E+00 volume -8.36011E+03 ppm1 8.634 ppm2 9.301
ASSI { 1289}
(( segid " A" and resid 38 and name HN ))
(( segid " A" and resid 37 and name HN ))
4.036 2.018 2.018 peak 1289 weight 1.00000E+00 volume -8.47100E+03 ppm1 9.299 ppm2 8.882
ASSI { 1290}
(( segid " A" and resid 28 and name HN ))
(( segid " A" and resid 37 and name HN ))
5.035 2.518 2.518 peak 1290 weight 1.00000E+00 volume -1.05215E+03 ppm1 9.299 ppm2 8.840
ASSI { 1291}
(( segid " A" and resid 36 and name HN ))
(( segid " A" and resid 37 and name HN ))
7.109 3.554 0.891 peak 1291 weight 1.00000E+00 volume 1.61273E+02 ppm1 9.300 ppm2 8.634
ASSI { 1292}
(( segid " A" and resid 37 and name HN ))
( segid " A" and resid 54 and name HD# )
3.305 1.585 1.652 peak 1292 weight 1.00000E+00 volume -3.82918E+04 ppm1 9.301 ppm2 7.039
ASSI { 1294}
(( segid " A" and resid 37 and name HN ))
(( segid " A" and resid 38 and name HA ))
3.852 1.926 1.926 peak 1294 weight 1.00000E+00 volume -1.19419E+04 ppm1 9.299 ppm2 4.906
ASSI { 1295}
(( segid " A" and resid 37 and name HN ))
(( segid " A" and resid 54 and name HA ))
3.773 1.887 1.887 peak 1295 weight 1.00000E+00 volume -1.20303E+04 ppm1 9.300 ppm2 4.788
ASSI { 1296}
(( segid " A" and resid 37 and name HN ))
(( segid " A" and resid 55 and name HA ))
5.831 2.915 2.169 peak 1296 weight 1.00000E+00 volume -8.94225E+03 ppm1 9.299 ppm2 4.395
ASSI { 1297}
(( segid " A" and resid 37 and name HN ))
(( segid " A" and resid 54 and name HB2 ))
3.202 1.482 1.601 peak 1297 weight 1.00000E+00 volume -3.51388E+04 ppm1 9.300 ppm2 2.983
ASSI { 1299}
(( segid " A" and resid 38 and name HN ))
( segid " A" and resid 28 and name HG1#)
2.684 0.964 1.342 peak 1299 weight 1.00000E+00 volume -1.17424E+05 ppm1 8.880 ppm2 0.580
ASSI { 1300}
(( segid " A" and resid 38 and name HN ))
(( segid " A" and resid 37 and name HB ))
3.238 1.518 1.619 peak 1300 weight 1.00000E+00 volume -6.12726E+05 ppm1 8.880 ppm2 1.668
ASSI { 1301}
(( segid " A" and resid 38 and name HN ))
(( segid " A" and resid 26 and name HB2 ))
3.274 1.554 1.637 peak 1301 weight 1.00000E+00 volume -5.72960E+05 ppm1 8.880 ppm2 1.854
ASSI { 1302}
(( segid " A" and resid 38 and name HN ))
(( segid " A" and resid 36 and name HB2 ))
4.011 2.005 2.005 peak 1302 weight 1.00000E+00 volume -1.39005E+04 ppm1 8.871 ppm2 3.020
ASSI { 1304}
(( segid " A" and resid 38 and name HN ))
(( segid " A" and resid 53 and name HA ))
4.582 2.291 2.291 peak 1304 weight 1.00000E+00 volume -5.56543E+03 ppm1 8.880 ppm2 5.188
ASSI { 1305}
(( segid " A" and resid 26 and name HN ))
(( segid " A" and resid 38 and name HN ))
3.189 1.469 1.595 peak 1305 weight 1.00000E+00 volume -4.30528E+04 ppm1 8.880 ppm2 8.717
ASSI { 1309}
(( segid " A" and resid 38 and name HN ))
(( segid " A" and resid 54 and name HN ))
3.566 1.783 1.783 peak 1309 weight 1.00000E+00 volume -3.43473E+05 ppm1 8.880 ppm2 9.053
ASSI { 1310}
(( segid " A" and resid 38 and name HN ))
(( segid " A" and resid 37 and name HN ))
8.000 4.000 0.000 peak 1310 weight 1.00000E+00 volume -5.09020E+02 ppm1 8.878 ppm2 9.293
ASSI { 1312}
(( segid " A" and resid 38 and name HN ))
(( segid " A" and resid 39 and name HN ))
3.561 1.780 1.780 peak 1312 weight 1.00000E+00 volume -2.44201E+03 ppm1 8.985 ppm2 8.880
ASSI { 1313}
(( segid " A" and resid 26 and name HN ))
(( segid " A" and resid 39 and name HN ))
6.127 3.063 1.873 peak 1313 weight 1.00000E+00 volume -3.98602E+03 ppm1 8.993 ppm2 8.716
ASSI { 1314}
(( segid " A" and resid 40 and name HN ))
(( segid " A" and resid 39 and name HN ))
3.813 1.907 1.907 peak 1314 weight 1.00000E+00 volume -2.29770E+05 ppm1 8.984 ppm2 8.599
ASSI { 1315}
(( segid " A" and resid 39 and name HN ))
( segid " A" and resid 54 and name HE# )
4.258 2.129 2.129 peak 1315 weight 1.00000E+00 volume -5.22680E+02 ppm1 8.987 ppm2 7.182
ASSI { 1316}
(( segid " A" and resid 39 and name HN ))
( segid " A" and resid 54 and name HD# )
4.750 2.375 2.375 peak 1316 weight 1.00000E+00 volume 6.15207E+04 ppm1 8.986 ppm2 7.038
ASSI { 1317}
(( segid " A" and resid 39 and name HN ))
(( segid " A" and resid 25 and name HA ))
4.128 2.064 2.064 peak 1317 weight 1.00000E+00 volume -1.42827E+05 ppm1 8.985 ppm2 5.450
ASSI { 1319}
(( segid " A" and resid 39 and name HN ))
(( segid " A" and resid 51 and name HA ))
3.275 1.555 1.638 peak 1319 weight 1.00000E+00 volume -5.71974E+05 ppm1 8.985 ppm2 5.184
ASSI { 1320}
(( segid " A" and resid 39 and name HN ))
(( segid " A" and resid 54 and name HB2 ))
6.354 3.177 1.646 peak 1320 weight 1.00000E+00 volume -9.64574E+02 ppm1 8.991 ppm2 2.970
ASSI { 1321}
(( segid " A" and resid 39 and name HN ))
(( segid " A" and resid 52 and name HB2 ))
3.773 1.886 1.886 peak 1321 weight 1.00000E+00 volume -9.06632E+03 ppm1 8.985 ppm2 1.917
ASSI { 1322}
(( segid " A" and resid 39 and name HN ))
(( segid " A" and resid 38 and name HB2 ))
3.760 1.880 1.880 peak 1322 weight 1.00000E+00 volume -1.37956E+04 ppm1 8.985 ppm2 1.897
ASSI { 1324}
(( segid " A" and resid 39 and name HN ))
(( segid " A" and resid 38 and name HB1 ))
3.815 1.908 1.908 peak 1324 weight 1.00000E+00 volume -6.30871E+03 ppm1 8.984 ppm2 1.694
ASSI { 1325}
(( segid " A" and resid 39 and name HN ))
(( segid " A" and resid 37 and name HB ))
3.774 1.887 1.887 peak 1325 weight 1.00000E+00 volume 1.70484E+03 ppm1 8.986 ppm2 1.668
ASSI { 1326}
(( segid " A" and resid 40 and name HN ))
( segid " A" and resid 22 and name HG1#)
3.801 1.900 1.900 peak 1326 weight 1.00000E+00 volume -1.70007E+04 ppm1 8.599 ppm2 0.701
ASSI { 1328}
(( segid " A" and resid 40 and name HN ))
(( segid " A" and resid 40 and name HB2 ))
3.222 1.502 1.611 peak 1328 weight 1.00000E+00 volume -6.31410E+05 ppm1 8.600 ppm2 1.594
ASSI { 1331}
(( segid " A" and resid 40 and name HN ))
(( segid " A" and resid 25 and name HB1 ))
4.228 2.114 2.114 peak 1331 weight 1.00000E+00 volume -3.52655E+03 ppm1 8.599 ppm2 2.708
ASSI { 1332}
(( segid " A" and resid 40 and name HN ))
(( segid " A" and resid 24 and name HB2 ))
4.265 2.132 2.132 peak 1332 weight 1.00000E+00 volume -1.17404E+05 ppm1 8.603 ppm2 2.790
ASSI { 1333}
(( segid " A" and resid 40 and name HN ))
(( segid " A" and resid 25 and name HB2 ))
5.589 2.795 2.411 peak 1333 weight 1.00000E+00 volume -2.31620E+04 ppm1 8.599 ppm2 3.184
ASSI { 1334}
(( segid " A" and resid 40 and name HN ))
(( segid " A" and resid 39 and name HB2 ))
3.277 1.557 1.639 peak 1334 weight 1.00000E+00 volume -5.70174E+05 ppm1 8.601 ppm2 3.919
ASSI { 1336}
(( segid " A" and resid 40 and name HN ))
(( segid " A" and resid 51 and name HA ))
4.628 2.314 2.314 peak 1336 weight 1.00000E+00 volume -7.18725E+04 ppm1 8.601 ppm2 5.184
ASSI { 1339}
(( segid " A" and resid 40 and name HN ))
(( segid " A" and resid 25 and name HA ))
2.831 1.111 1.415 peak 1339 weight 1.00000E+00 volume -7.03628E+04 ppm1 8.599 ppm2 5.450
ASSI { 1341}
(( segid " A" and resid 40 and name HN ))
(( segid " A" and resid 39 and name HN ))
3.650 1.825 1.825 peak 1341 weight 1.00000E+00 volume -1.28618E+04 ppm1 8.600 ppm2 8.985
ASSI { 1342}
(( segid " A" and resid 40 and name HN ))
(( segid " A" and resid 41 and name HN ))
3.492 1.746 1.746 peak 1342 weight 1.00000E+00 volume -2.28134E+04 ppm1 8.599 ppm2 9.013
ASSI { 1343}
(( segid " A" and resid 23 and name HN ))
(( segid " A" and resid 40 and name HN ))
4.838 2.419 2.419 peak 1343 weight 1.00000E+00 volume -6.09355E+02 ppm1 8.599 ppm2 9.090
ASSI { 1344}
(( segid " A" and resid 42 and name HN ))
(( segid " A" and resid 41 and name HN ))
3.811 1.905 1.905 peak 1344 weight 1.00000E+00 volume -9.76989E+03 ppm1 9.013 ppm2 9.348
ASSI { 1346}
(( segid " A" and resid 41 and name HN ))
(( segid " A" and resid 51 and name HN ))
3.517 1.759 1.759 peak 1346 weight 1.00000E+00 volume -3.72975E+05 ppm1 9.013 ppm2 8.603
ASSI { 1347}
(( segid " A" and resid 40 and name HN ))
(( segid " A" and resid 41 and name HN ))
3.517 1.759 1.759 peak 1347 weight 1.00000E+00 volume -3.72975E+05 ppm1 9.013 ppm2 8.599
ASSI { 1348}
(( segid " A" and resid 41 and name HN ))
(( segid " A" and resid 49 and name HA ))
3.490 1.745 1.745 peak 1348 weight 1.00000E+00 volume -2.21119E+04 ppm1 9.014 ppm2 5.410
ASSI { 1351}
(( segid " A" and resid 41 and name HN ))
(( segid " A" and resid 22 and name HA ))
4.824 2.412 2.412 peak 1351 weight 1.00000E+00 volume 7.17379E+02 ppm1 9.013 ppm2 3.993
ASSI { 1352}
(( segid " A" and resid 41 and name HN ))
(( segid " A" and resid 51 and name HB1 ))
3.763 1.882 1.882 peak 1352 weight 1.00000E+00 volume -1.76625E+04 ppm1 9.013 ppm2 1.892
ASSI { 1353}
(( segid " A" and resid 41 and name HN ))
(( segid " A" and resid 50 and name HB2 ))
3.554 1.777 1.777 peak 1353 weight 1.00000E+00 volume -2.41984E+04 ppm1 9.013 ppm2 1.860
ASSI { 1359}
(( segid " A" and resid 42 and name HN ))
(( segid " A" and resid 23 and name HG12))
3.393 1.673 1.697 peak 1359 weight 1.00000E+00 volume -4.62682E+05 ppm1 9.347 ppm2 1.260
ASSI { 1361}
(( segid " A" and resid 42 and name HN ))
(( segid " A" and resid 21 and name HB1 ))
3.162 1.442 1.581 peak 1361 weight 1.00000E+00 volume -2.94784E+04 ppm1 9.348 ppm2 1.677
ASSI { 1362}
(( segid " A" and resid 42 and name HN ))
(( segid " A" and resid 23 and name HB ))
4.258 2.129 2.129 peak 1362 weight 1.00000E+00 volume -7.13188E+03 ppm1 9.332 ppm2 1.901
ASSI { 1363}
(( segid " A" and resid 42 and name HN ))
(( segid " A" and resid 20 and name HB2 ))
4.937 2.468 2.468 peak 1363 weight 1.00000E+00 volume -4.87794E+04 ppm1 9.348 ppm2 2.605
ASSI { 1364}
(( segid " A" and resid 42 and name HN ))
(( segid " A" and resid 21 and name HA ))
3.454 1.727 1.727 peak 1364 weight 1.00000E+00 volume -4.15602E+05 ppm1 9.349 ppm2 5.223
ASSI { 1366}
(( segid " A" and resid 42 and name HN ))
(( segid " A" and resid 42 and name HA ))
2.827 1.107 1.414 peak 1366 weight 1.00000E+00 volume -1.38220E+06 ppm1 9.348 ppm2 5.348
ASSI { 1368}
(( segid " A" and resid 42 and name HN ))
(( segid " A" and resid 20 and name HA ))
4.401 2.200 2.200 peak 1368 weight 1.00000E+00 volume -9.72293E+04 ppm1 9.348 ppm2 5.539
ASSI { 1369}
(( segid " A" and resid 42 and name HN ))
(( segid " A" and resid 41 and name HN ))
4.236 2.118 2.118 peak 1369 weight 1.00000E+00 volume -1.22197E+05 ppm1 9.347 ppm2 9.014
ASSI { 1370}
(( segid " A" and resid 42 and name HN ))
(( segid " A" and resid 23 and name HN ))
4.033 2.016 2.016 peak 1370 weight 1.00000E+00 volume -1.64128E+05 ppm1 9.347 ppm2 9.089
ASSI { 1371}
(( segid " A" and resid 21 and name HN ))
(( segid " A" and resid 42 and name HN ))
2.721 1.001 1.360 peak 1371 weight 1.00000E+00 volume -1.74141E+06 ppm1 9.348 ppm2 9.275
ASSI { 1373}
(( segid " A" and resid 42 and name HN ))
(( segid " A" and resid 43 and name HN ))
5.878 2.939 2.122 peak 1373 weight 1.00000E+00 volume 1.71166E+04 ppm1 9.362 ppm2 9.715
ASSI { 1374}
(( segid " A" and resid 42 and name HN ))
(( segid " A" and resid 43 and name HN ))
4.120 2.060 2.060 peak 1374 weight 1.00000E+00 volume -1.44328E+05 ppm1 9.720 ppm2 9.348
ASSI { 1375}
(( segid " A" and resid 50 and name HN ))
(( segid " A" and resid 43 and name HN ))
4.138 2.069 2.069 peak 1375 weight 1.00000E+00 volume -1.40610E+05 ppm1 9.725 ppm2 9.287
ASSI { 1376}
(( segid " A" and resid 21 and name HN ))
(( segid " A" and resid 43 and name HN ))
4.119 2.059 2.059 peak 1376 weight 1.00000E+00 volume -9.96105E+03 ppm1 9.725 ppm2 9.275
ASSI { 1377}
(( segid " A" and resid 44 and name HN ))
(( segid " A" and resid 43 and name HN ))
4.646 2.323 2.323 peak 1377 weight 1.00000E+00 volume -3.97714E+03 ppm1 9.725 ppm2 8.365
ASSI { 1378}
(( segid " A" and resid 43 and name HN ))
(( segid " A" and resid 47 and name HN ))
4.703 2.352 2.352 peak 1378 weight 1.00000E+00 volume -6.52359E+04 ppm1 9.728 ppm2 8.318
ASSI { 1379}
(( segid " A" and resid 43 and name HN ))
(( segid " A" and resid 48 and name HN ))
3.848 1.924 1.924 peak 1379 weight 1.00000E+00 volume -2.17576E+05 ppm1 9.728 ppm2 7.522
ASSI { 1380}
(( segid " A" and resid 43 and name HN ))
(( segid " A" and resid 20 and name HA ))
5.447 2.723 2.553 peak 1380 weight 1.00000E+00 volume -2.70506E+04 ppm1 9.723 ppm2 5.535
ASSI { 1381}
(( segid " A" and resid 43 and name HN ))
(( segid " A" and resid 49 and name HA ))
2.978 1.258 1.489 peak 1381 weight 1.00000E+00 volume -5.22410E+04 ppm1 9.726 ppm2 5.411
ASSI { 1382}
(( segid " A" and resid 43 and name HN ))
(( segid " A" and resid 47 and name HA1 ))
4.320 2.160 2.160 peak 1382 weight 1.00000E+00 volume -6.41911E+03 ppm1 9.726 ppm2 4.267
ASSI { 1383}
(( segid " A" and resid 43 and name HN ))
(( segid " A" and resid 48 and name HA ))
4.320 2.160 2.160 peak 1383 weight 1.00000E+00 volume -6.41911E+03 ppm1 9.726 ppm2 4.265
ASSI { 1385}
(( segid " A" and resid 43 and name HN ))
(( segid " A" and resid 47 and name HA2 ))
5.253 2.627 2.627 peak 1385 weight 1.00000E+00 volume -4.28980E+03 ppm1 9.718 ppm2 3.634
ASSI { 1386}
(( segid " A" and resid 43 and name HN ))
(( segid " A" and resid 50 and name HB2 ))
4.237 2.119 2.119 peak 1386 weight 1.00000E+00 volume -6.82129E+03 ppm1 9.726 ppm2 1.861
ASSI { 1387}
(( segid " A" and resid 43 and name HN ))
(( segid " A" and resid 42 and name HB2 ))
4.201 2.100 2.100 peak 1387 weight 1.00000E+00 volume -1.25809E+04 ppm1 9.725 ppm2 1.811
ASSI { 1389}
(( segid " A" and resid 44 and name HN ))
( segid " A" and resid 46 and name HG2#)
4.280 2.140 2.140 peak 1389 weight 1.00000E+00 volume -4.14770E+03 ppm1 8.360 ppm2 1.062
ASSI { 1390}
(( segid " A" and resid 44 and name HN ))
( segid " A" and resid 18 and name HB# )
3.441 1.720 1.720 peak 1390 weight 1.00000E+00 volume -2.61847E+04 ppm1 8.365 ppm2 1.123
ASSI { 1392}
(( segid " A" and resid 44 and name HN ))
(( segid " A" and resid 21 and name HB1 ))
4.385 2.192 2.192 peak 1392 weight 1.00000E+00 volume -9.93544E+04 ppm1 8.364 ppm2 1.676
ASSI { 1393}
(( segid " A" and resid 44 and name HN ))
(( segid " A" and resid 19 and name HB ))
4.582 2.291 2.291 peak 1393 weight 1.00000E+00 volume -7.62961E+04 ppm1 8.357 ppm2 1.770
ASSI { 1394}
(( segid " A" and resid 44 and name HN ))
(( segid " A" and resid 43 and name HB2 ))
4.636 2.318 2.318 peak 1394 weight 1.00000E+00 volume -4.75066E+03 ppm1 8.363 ppm2 2.905
ASSI { 1395}
(( segid " A" and resid 44 and name HN ))
(( segid " A" and resid 43 and name HA ))
2.791 1.071 1.396 peak 1395 weight 1.00000E+00 volume -8.43416E+04 ppm1 8.364 ppm2 3.925
ASSI { 1396}
(( segid " A" and resid 44 and name HN ))
(( segid " A" and resid 20 and name HD1 ))
4.717 2.359 2.359 peak 1396 weight 1.00000E+00 volume -8.41287E+03 ppm1 8.359 ppm2 7.107
ASSI { 1398}
(( segid " A" and resid 44 and name HN ))
(( segid " A" and resid 19 and name HN ))
8.000 4.000 0.000 peak 1398 weight 1.00000E+00 volume -1.73191E+02 ppm1 8.362 ppm2 7.530
ASSI { 1400}
(( segid " A" and resid 20 and name HN ))
(( segid " A" and resid 44 and name HN ))
5.394 2.697 2.606 peak 1400 weight 1.00000E+00 volume 3.81341E+03 ppm1 8.358 ppm2 8.965
ASSI { 1401}
(( segid " A" and resid 44 and name HN ))
(( segid " A" and resid 21 and name HN ))
5.145 2.572 2.572 peak 1401 weight 1.00000E+00 volume 1.39362E+03 ppm1 8.362 ppm2 9.277
ASSI { 1402}
(( segid " A" and resid 44 and name HN ))
(( segid " A" and resid 43 and name HN ))
5.236 2.618 2.618 peak 1402 weight 1.00000E+00 volume -3.32921E+03 ppm1 8.393 ppm2 9.716
ASSI { 1403}
(( segid " A" and resid 47 and name HN ))
(( segid " A" and resid 45 and name HN ))
2.700 0.980 1.350 peak 1403 weight 1.00000E+00 volume -6.40989E+04 ppm1 8.208 ppm2 8.316
ASSI { 1404}
(( segid " A" and resid 45 and name HN ))
(( segid " A" and resid 19 and name HN ))
4.648 2.324 2.324 peak 1404 weight 1.00000E+00 volume -7.44013E+03 ppm1 8.196 ppm2 7.543
ASSI { 1407}
(( segid " A" and resid 45 and name HN ))
(( segid " A" and resid 43 and name HA ))
3.770 1.885 1.885 peak 1407 weight 1.00000E+00 volume -1.34614E+04 ppm1 8.205 ppm2 3.925
ASSI { 1408}
(( segid " A" and resid 45 and name HN ))
(( segid " A" and resid 43 and name HB2 ))
5.104 2.552 2.552 peak 1408 weight 1.00000E+00 volume -3.99386E+04 ppm1 8.228 ppm2 2.906
ASSI { 1409}
(( segid " A" and resid 45 and name HN ))
( segid " A" and resid 18 and name HB# )
3.530 1.765 1.765 peak 1409 weight 1.00000E+00 volume -3.65100E+05 ppm1 8.206 ppm2 1.120
ASSI { 1410}
(( segid " A" and resid 45 and name HN ))
( segid " A" and resid 44 and name HD1#)
3.694 1.847 1.847 peak 1410 weight 1.00000E+00 volume -2.78106E+05 ppm1 8.204 ppm2 0.789
ASSI { 1412}
( segid " A" and resid 48 and name HB# )
(( segid " A" and resid 46 and name HN ))
4.187 2.094 2.094 peak 1412 weight 1.00000E+00 volume -1.08527E+04 ppm1 7.297 ppm2 1.400
ASSI { 1413}
(( segid " A" and resid 46 and name HN ))
(( segid " A" and resid 43 and name HB2 ))
4.247 2.123 2.123 peak 1413 weight 1.00000E+00 volume -1.34258E+04 ppm1 7.299 ppm2 2.905
ASSI { 1414}
(( segid " A" and resid 47 and name HA2 ))
(( segid " A" and resid 46 and name HN ))
5.161 2.581 2.581 peak 1414 weight 1.00000E+00 volume -5.19684E+03 ppm1 7.297 ppm2 3.636
ASSI { 1415}
(( segid " A" and resid 47 and name HA1 ))
(( segid " A" and resid 46 and name HN ))
3.768 1.884 1.884 peak 1415 weight 1.00000E+00 volume -2.27170E+04 ppm1 7.299 ppm2 4.266
ASSI { 1417}
(( segid " A" and resid 46 and name HN ))
(( segid " A" and resid 45 and name HA ))
3.080 1.360 1.540 peak 1417 weight 1.00000E+00 volume -6.32409E+04 ppm1 7.297 ppm2 4.454
ASSI { 1418}
(( segid " A" and resid 44 and name HN ))
(( segid " A" and resid 46 and name HN ))
3.009 1.289 1.505 peak 1418 weight 1.00000E+00 volume -9.50735E+05 ppm1 7.299 ppm2 8.363
ASSI { 1419}
(( segid " A" and resid 43 and name HN ))
(( segid " A" and resid 47 and name HN ))
4.826 2.413 2.413 peak 1419 weight 1.00000E+00 volume -5.59315E+04 ppm1 8.308 ppm2 9.753
ASSI { 1421}
(( segid " A" and resid 47 and name HN ))
(( segid " A" and resid 45 and name HN ))
3.004 1.284 1.502 peak 1421 weight 1.00000E+00 volume -3.19167E+04 ppm1 8.317 ppm2 8.207
ASSI { 1422}
(( segid " A" and resid 47 and name HN ))
(( segid " A" and resid 45 and name HA ))
3.457 1.728 1.728 peak 1422 weight 1.00000E+00 volume -3.05835E+04 ppm1 8.317 ppm2 4.455
ASSI { 1423}
(( segid " A" and resid 47 and name HN ))
(( segid " A" and resid 46 and name HB ))
3.209 1.489 1.604 peak 1423 weight 1.00000E+00 volume -1.51608E+04 ppm1 8.316 ppm2 4.393
ASSI { 1424}
(( segid " A" and resid 47 and name HN ))
(( segid " A" and resid 44 and name HA ))
4.914 2.457 2.457 peak 1424 weight 1.00000E+00 volume -5.01848E+04 ppm1 8.306 ppm2 3.994
ASSI { 1425}
(( segid " A" and resid 47 and name HN ))
(( segid " A" and resid 43 and name HA ))
5.564 2.782 2.436 peak 1425 weight 1.00000E+00 volume -1.79805E+02 ppm1 8.304 ppm2 3.924
ASSI { 1426}
(( segid " A" and resid 47 and name HN ))
(( segid " A" and resid 45 and name HB2 ))
4.446 2.223 2.223 peak 1426 weight 1.00000E+00 volume -9.14997E+04 ppm1 8.317 ppm2 1.798
ASSI { 1427}
(( segid " A" and resid 47 and name HN ))
( segid " A" and resid 46 and name HG2#)
4.683 2.342 2.342 peak 1427 weight 1.00000E+00 volume -6.69375E+04 ppm1 8.315 ppm2 1.063
ASSI { 1428}
(( segid " A" and resid 48 and name HN ))
( segid " A" and resid 49 and name HD1#)
4.307 2.153 2.153 peak 1428 weight 1.00000E+00 volume 1.10639E+05 ppm1 7.530 ppm2 0.854
ASSI { 1429}
(( segid " A" and resid 48 and name HN ))
( segid " A" and resid 46 and name HG2#)
4.044 2.022 2.022 peak 1429 weight 1.00000E+00 volume -1.61404E+05 ppm1 7.525 ppm2 1.065
ASSI { 1430}
(( segid " A" and resid 48 and name HN ))
(( segid " A" and resid 43 and name HA ))
3.982 1.991 1.991 peak 1430 weight 1.00000E+00 volume -1.77098E+05 ppm1 7.530 ppm2 3.929
ASSI { 1431}
(( segid " A" and resid 48 and name HN ))
(( segid " A" and resid 47 and name HA1 ))
2.686 0.966 1.343 peak 1431 weight 1.00000E+00 volume -1.87875E+06 ppm1 7.522 ppm2 4.266
ASSI { 1432}
(( segid " A" and resid 48 and name HN ))
(( segid " A" and resid 42 and name HA ))
5.124 2.562 2.562 peak 1432 weight 1.00000E+00 volume 2.38705E+03 ppm1 7.535 ppm2 5.339
ASSI { 1433}
(( segid " A" and resid 48 and name HN ))
(( segid " A" and resid 49 and name HN ))
3.324 1.604 1.662 peak 1433 weight 1.00000E+00 volume -2.26377E+04 ppm1 7.518 ppm2 8.420
ASSI { 1434}
(( segid " A" and resid 43 and name HN ))
(( segid " A" and resid 48 and name HN ))
4.320 2.160 2.160 peak 1434 weight 1.00000E+00 volume -1.10208E+04 ppm1 7.526 ppm2 9.724
ASSI { 1435}
(( segid " A" and resid 50 and name HN ))
(( segid " A" and resid 49 and name HN ))
4.029 2.014 2.014 peak 1435 weight 1.00000E+00 volume -8.42806E+03 ppm1 8.434 ppm2 9.292
ASSI { 1436}
(( segid " A" and resid 48 and name HN ))
(( segid " A" and resid 49 and name HN ))
8.000 4.000 0.000 peak 1436 weight 1.00000E+00 volume -1.01197E+04 ppm1 8.423 ppm2 7.524
ASSI { 1437}
(( segid " A" and resid 49 and name HN ))
(( segid " A" and resid 42 and name HA ))
4.074 2.037 2.037 peak 1437 weight 1.00000E+00 volume -6.35762E+03 ppm1 8.424 ppm2 5.349
ASSI { 1439}
(( segid " A" and resid 50 and name HN ))
( segid " A" and resid 48 and name HB# )
3.539 1.770 1.770 peak 1439 weight 1.00000E+00 volume -3.59432E+05 ppm1 9.285 ppm2 1.401
ASSI { 1440}
(( segid " A" and resid 50 and name HN ))
(( segid " A" and resid 49 and name HB ))
2.927 1.207 1.463 peak 1440 weight 1.00000E+00 volume -1.12330E+06 ppm1 9.285 ppm2 1.796
ASSI { 1442}
(( segid " A" and resid 50 and name HN ))
(( segid " A" and resid 51 and name HA ))
5.425 2.712 2.575 peak 1442 weight 1.00000E+00 volume -9.02203E+03 ppm1 9.278 ppm2 5.184
ASSI { 1446}
(( segid " A" and resid 50 and name HN ))
(( segid " A" and resid 43 and name HN ))
4.434 2.217 2.217 peak 1446 weight 1.00000E+00 volume 1.40132E+03 ppm1 9.290 ppm2 9.717
ASSI { 1447}
(( segid " A" and resid 41 and name HN ))
(( segid " A" and resid 51 and name HN ))
3.458 1.729 1.729 peak 1447 weight 1.00000E+00 volume -4.12719E+05 ppm1 8.603 ppm2 9.013
ASSI { 1449}
(( segid " A" and resid 51 and name HN ))
(( segid " A" and resid 50 and name HA ))
2.876 1.156 1.438 peak 1449 weight 1.00000E+00 volume -1.24818E+06 ppm1 8.603 ppm2 4.767
ASSI { 1451}
(( segid " A" and resid 51 and name HN ))
(( segid " A" and resid 50 and name HB2 ))
3.500 1.750 1.750 peak 1451 weight 1.00000E+00 volume -1.01779E+04 ppm1 8.606 ppm2 1.862
ASSI { 1452}
(( segid " A" and resid 52 and name HN ))
( segid " A" and resid 41 and name HD1#)
5.528 2.764 2.472 peak 1452 weight 1.00000E+00 volume 2.47001E+03 ppm1 8.556 ppm2 0.791
ASSI { 1454}
(( segid " A" and resid 52 and name HN ))
(( segid " A" and resid 51 and name HB1 ))
3.018 1.298 1.509 peak 1454 weight 1.00000E+00 volume -4.67706E+04 ppm1 8.554 ppm2 1.892
ASSI { 1455}
(( segid " A" and resid 52 and name HN ))
(( segid " A" and resid 39 and name HB2 ))
5.036 2.518 2.518 peak 1455 weight 1.00000E+00 volume 4.33140E+04 ppm1 8.558 ppm2 3.934
ASSI { 1456}
(( segid " A" and resid 52 and name HN ))
(( segid " A" and resid 38 and name HA ))
5.062 2.531 2.531 peak 1456 weight 1.00000E+00 volume -4.19606E+04 ppm1 8.559 ppm2 4.907
ASSI { 1459}
(( segid " A" and resid 39 and name HN ))
(( segid " A" and resid 52 and name HN ))
3.172 1.452 1.586 peak 1459 weight 1.00000E+00 volume -4.23141E+04 ppm1 8.554 ppm2 8.984
ASSI { 1460}
(( segid " A" and resid 52 and name HN ))
(( segid " A" and resid 41 and name HN ))
3.028 1.308 1.514 peak 1460 weight 1.00000E+00 volume -6.68818E+04 ppm1 8.551 ppm2 9.013
ASSI { 1461}
(( segid " A" and resid 37 and name HN ))
(( segid " A" and resid 54 and name HN ))
3.378 1.658 1.689 peak 1461 weight 1.00000E+00 volume -2.49022E+04 ppm1 9.052 ppm2 9.301
ASSI { 1462}
(( segid " A" and resid 54 and name HN ))
(( segid " A" and resid 55 and name HN ))
3.378 1.658 1.689 peak 1462 weight 1.00000E+00 volume -2.49022E+04 ppm1 9.051 ppm2 9.314
ASSI { 1464}
(( segid " A" and resid 54 and name HN ))
(( segid " A" and resid 38 and name HA ))
3.346 1.626 1.673 peak 1464 weight 1.00000E+00 volume -2.41609E+04 ppm1 9.052 ppm2 4.905
ASSI { 1465}
(( segid " A" and resid 54 and name HN ))
(( segid " A" and resid 37 and name HA ))
3.225 1.505 1.612 peak 1465 weight 1.00000E+00 volume -3.19657E+04 ppm1 9.050 ppm2 4.834
ASSI { 1466}
(( segid " A" and resid 54 and name HN ))
(( segid " A" and resid 36 and name HB2 ))
3.199 1.479 1.600 peak 1466 weight 1.00000E+00 volume -2.98417E+04 ppm1 9.050 ppm2 3.023
ASSI { 1467}
(( segid " A" and resid 54 and name HN ))
(( segid " A" and resid 37 and name HB ))
3.791 1.895 1.895 peak 1467 weight 1.00000E+00 volume -8.24678E+03 ppm1 9.051 ppm2 1.668
ASSI { 1468}
(( segid " A" and resid 54 and name HN ))
( segid " A" and resid 4 and name HG2#)
4.622 2.311 2.311 peak 1468 weight 1.00000E+00 volume -6.02970E+03 ppm1 9.033 ppm2 0.244
ASSI { 1469}
(( segid " A" and resid 55 and name HN ))
( segid " A" and resid 4 and name HG2#)
4.325 2.163 2.163 peak 1469 weight 1.00000E+00 volume -4.23627E+03 ppm1 9.306 ppm2 0.223
ASSI { 1471}
(( segid " A" and resid 55 and name HN ))
( segid " A" and resid 4 and name HG1#)
4.790 2.395 2.395 peak 1471 weight 1.00000E+00 volume 5.84654E+04 ppm1 9.317 ppm2 0.698
ASSI { 1472}
(( segid " A" and resid 55 and name HN ))
(( segid " A" and resid 55 and name HB2 ))
3.294 1.574 1.647 peak 1472 weight 1.00000E+00 volume -1.12363E+04 ppm1 9.312 ppm2 1.848
ASSI { 1474}
(( segid " A" and resid 54 and name HN ))
(( segid " A" and resid 55 and name HN ))
4.547 2.273 2.273 peak 1474 weight 1.00000E+00 volume -7.99116E+04 ppm1 9.312 ppm2 9.054
ASSI { 1476}
(( segid " A" and resid 56 and name HN ))
(( segid " A" and resid 55 and name HN ))
4.148 2.074 2.074 peak 1476 weight 1.00000E+00 volume -1.38632E+05 ppm1 7.981 ppm2 9.308
ASSI { 1477}
(( segid " A" and resid 36 and name HN ))
(( segid " A" and resid 56 and name HN ))
4.418 2.209 2.209 peak 1477 weight 1.00000E+00 volume 6.99223E+03 ppm1 7.983 ppm2 8.637
ASSI { 1478}
(( segid " A" and resid 56 and name HN ))
( segid " A" and resid 36 and name HD# )
4.651 2.326 2.326 peak 1478 weight 1.00000E+00 volume 6.10078E+01 ppm1 7.989 ppm2 7.094
ASSI { 1479}
(( segid " A" and resid 56 and name HN ))
(( segid " A" and resid 34 and name HB2 ))
4.078 2.039 2.039 peak 1479 weight 1.00000E+00 volume -7.28025E+03 ppm1 7.982 ppm2 3.858
ASSI { 1480}
(( segid " A" and resid 56 and name HN ))
(( segid " A" and resid 55 and name HB2 ))
3.936 1.968 1.968 peak 1480 weight 1.00000E+00 volume 1.40145E+02 ppm1 7.983 ppm2 1.859
ASSI { 1481}
(( segid " A" and resid 56 and name HN ))
( segid " A" and resid 35 and name HB# )
4.228 2.114 2.114 peak 1481 weight 1.00000E+00 volume -7.95402E+03 ppm1 7.978 ppm2 1.442
ASSI { 1482}
(( segid " A" and resid 56 and name HN ))
( segid " A" and resid 4 and name HG1#)
5.088 2.544 2.544 peak 1482 weight 1.00000E+00 volume -3.80158E+03 ppm1 7.987 ppm2 0.698
ASSI { 1483}
(( segid " A" and resid 56 and name HN ))
( segid " A" and resid 37 and name HG1#)
4.749 2.374 2.374 peak 1483 weight 1.00000E+00 volume -9.32165E+03 ppm1 7.981 ppm2 0.567
ASSI { 1484}
(( segid " A" and resid 56 and name HN ))
( segid " A" and resid 4 and name HG2#)
4.213 2.106 2.106 peak 1484 weight 1.00000E+00 volume 6.39364E+03 ppm1 7.980 ppm2 0.247
ASSI { 1485}
(( segid " A" and resid 63 and name HN ))
( segid " A" and resid 63 and name HB# )
2.922 1.202 1.461 peak 1485 weight 1.00000E+00 volume -1.13415E+06 ppm1 7.836 ppm2 0.849
ASSI { 1486}
(( segid " A" and resid 14 and name HB1 ))
(( segid " A" and resid 63 and name HN ))
8.000 4.000 0.000 peak 1486 weight 1.00000E+00 volume -6.42699E+02 ppm1 7.854 ppm2 3.708
ASSI { 1487}
(( segid " A" and resid 12 and name HB ))
(( segid " A" and resid 63 and name HN ))
4.587 2.293 2.293 peak 1487 weight 1.00000E+00 volume -8.55592E+03 ppm1 7.834 ppm2 3.971
ASSI { 1488}
(( segid " A" and resid 63 and name HN ))
(( segid " A" and resid 62 and name HA ))
2.508 0.788 1.254 peak 1488 weight 1.00000E+00 volume -2.83669E+06 ppm1 7.837 ppm2 4.604
ASSI { 1489}
(( segid " A" and resid 12 and name HA ))
(( segid " A" and resid 63 and name HN ))
5.498 2.749 2.502 peak 1489 weight 1.00000E+00 volume -8.03125E+03 ppm1 7.844 ppm2 5.636
ASSI { 1490}
(( segid " A" and resid 12 and name HN ))
(( segid " A" and resid 63 and name HN ))
6.364 3.182 1.636 peak 1490 weight 1.00000E+00 volume -6.03928E+03 ppm1 7.812 ppm2 7.974
ASSI { 1492}
(( segid " A" and resid 68 and name HN ))
(( segid " A" and resid 69 and name HN ))
3.171 1.451 1.586 peak 1492 weight 1.00000E+00 volume -9.68554E+03 ppm1 8.786 ppm2 8.693
ASSI { 1493}
(( segid " A" and resid 68 and name HN ))
(( segid " A" and resid 114 and name HA ))
3.684 1.842 1.842 peak 1493 weight 1.00000E+00 volume -2.91237E+04 ppm1 8.787 ppm2 5.224
ASSI { 1494}
(( segid " A" and resid 68 and name HN ))
(( segid " A" and resid 112 and name HA ))
3.860 1.930 1.930 peak 1494 weight 1.00000E+00 volume -6.83677E+03 ppm1 8.786 ppm2 5.079
ASSI { 1496}
(( segid " A" and resid 68 and name HN ))
(( segid " A" and resid 68 and name HA ))
3.216 1.496 1.608 peak 1496 weight 1.00000E+00 volume -3.46900E+04 ppm1 8.788 ppm2 4.621
ASSI { 1497}
(( segid " A" and resid 68 and name HN ))
(( segid " A" and resid 113 and name HA ))
6.026 3.013 1.974 peak 1497 weight 1.00000E+00 volume 6.71739E+03 ppm1 8.785 ppm2 4.422
ASSI { 1498}
(( segid " A" and resid 68 and name HN ))
(( segid " A" and resid 112 and name HB2 ))
4.071 2.036 2.036 peak 1498 weight 1.00000E+00 volume -1.92193E+03 ppm1 8.788 ppm2 2.018
ASSI { 1499}
(( segid " A" and resid 68 and name HN ))
(( segid " A" and resid 113 and name HB ))
2.959 1.239 1.480 peak 1499 weight 1.00000E+00 volume -1.05144E+06 ppm1 8.787 ppm2 1.658
ASSI { 1500}
(( segid " A" and resid 68 and name HN ))
( segid " A" and resid 115 and name HG2#)
4.031 2.015 2.015 peak 1500 weight 1.00000E+00 volume -1.64628E+05 ppm1 8.789 ppm2 0.906
ASSI { 1501}
(( segid " A" and resid 69 and name HN ))
(( segid " A" and resid 68 and name HG2 ))
3.618 1.809 1.809 peak 1501 weight 1.00000E+00 volume -3.14788E+05 ppm1 8.692 ppm2 1.607
ASSI { 1503}
(( segid " A" and resid 69 and name HN ))
(( segid " A" and resid 69 and name HB2 ))
3.466 1.733 1.733 peak 1503 weight 1.00000E+00 volume -2.09320E+04 ppm1 8.693 ppm2 1.748
ASSI { 1504}
(( segid " A" and resid 69 and name HN ))
(( segid " A" and resid 68 and name HB2 ))
3.358 1.638 1.679 peak 1504 weight 1.00000E+00 volume -4.92782E+05 ppm1 8.693 ppm2 1.802
ASSI { 1506}
(( segid " A" and resid 69 and name HA ))
(( segid " A" and resid 69 and name HN ))
2.596 0.876 1.298 peak 1506 weight 1.00000E+00 volume -2.30815E+06 ppm1 8.693 ppm2 4.693
ASSI { 1507}
(( segid " A" and resid 70 and name HA ))
(( segid " A" and resid 69 and name HN ))
5.149 2.575 2.575 peak 1507 weight 1.00000E+00 volume -3.78779E+04 ppm1 8.688 ppm2 5.176
ASSI { 1508}
(( segid " A" and resid 85 and name HN ))
(( segid " A" and resid 69 and name HN ))
4.148 2.074 2.074 peak 1508 weight 1.00000E+00 volume -1.38609E+05 ppm1 8.693 ppm2 8.691
ASSI { 1509}
(( segid " A" and resid 86 and name HN ))
(( segid " A" and resid 69 and name HN ))
3.870 1.935 1.935 peak 1509 weight 1.00000E+00 volume -2.10155E+05 ppm1 8.693 ppm2 8.718
ASSI { 1510}
(( segid " A" and resid 68 and name HN ))
(( segid " A" and resid 69 and name HN ))
3.835 1.917 1.917 peak 1510 weight 1.00000E+00 volume -2.22096E+05 ppm1 8.693 ppm2 8.788
ASSI { 1511}
(( segid " A" and resid 70 and name HN ))
(( segid " A" and resid 69 and name HN ))
4.140 2.070 2.070 peak 1511 weight 1.00000E+00 volume -1.40205E+05 ppm1 8.692 ppm2 8.920
ASSI { 1512}
(( segid " A" and resid 113 and name HN ))
(( segid " A" and resid 69 and name HN ))
4.275 2.137 2.137 peak 1512 weight 1.00000E+00 volume -1.15721E+05 ppm1 8.698 ppm2 9.074
ASSI { 1515}
(( segid " A" and resid 70 and name HN ))
(( segid " A" and resid 69 and name HN ))
4.658 2.329 2.329 peak 1515 weight 1.00000E+00 volume -7.06452E+03 ppm1 8.921 ppm2 8.695
ASSI { 1517}
(( segid " A" and resid 70 and name HN ))
(( segid " A" and resid 110 and name HA ))
3.197 1.477 1.599 peak 1517 weight 1.00000E+00 volume -3.73665E+04 ppm1 8.920 ppm2 5.091
ASSI { 1518}
(( segid " A" and resid 70 and name HN ))
(( segid " A" and resid 112 and name HA ))
3.197 1.477 1.599 peak 1518 weight 1.00000E+00 volume -6.61428E+05 ppm1 8.919 ppm2 5.079
ASSI { 1520}
(( segid " A" and resid 70 and name HN ))
(( segid " A" and resid 69 and name HB2 ))
2.999 1.279 1.499 peak 1520 weight 1.00000E+00 volume -5.36193E+04 ppm1 8.914 ppm2 1.749
ASSI { 1522}
(( segid " A" and resid 72 and name HN ))
(( segid " A" and resid 83 and name HN ))
4.195 2.097 2.097 peak 1522 weight 1.00000E+00 volume -1.29603E+05 ppm1 9.125 ppm2 9.300
ASSI { 1526}
(( segid " A" and resid 72 and name HN ))
(( segid " A" and resid 73 and name HN ))
3.967 1.983 1.983 peak 1526 weight 1.00000E+00 volume -1.81213E+05 ppm1 9.126 ppm2 8.786
ASSI { 1527}
(( segid " A" and resid 72 and name HN ))
(( segid " A" and resid 72 and name HA ))
4.602 2.301 2.301 peak 1527 weight 1.00000E+00 volume -7.43284E+04 ppm1 9.125 ppm2 4.128
ASSI { 1529}
(( segid " A" and resid 170 and name HB2 ))
(( segid " A" and resid 167 and name HN ))
3.591 1.795 1.795 peak 1529 weight 1.00000E+00 volume -3.29383E+05 ppm1 9.119 ppm2 2.978
ASSI { 1530}
(( segid " A" and resid 72 and name HN ))
(( segid " A" and resid 71 and name HG2 ))
3.464 1.732 1.732 peak 1530 weight 1.00000E+00 volume -4.08868E+05 ppm1 9.125 ppm2 2.212
ASSI { 1532}
(( segid " A" and resid 72 and name HN ))
(( segid " A" and resid 71 and name HB2 ))
3.087 1.367 1.544 peak 1532 weight 1.00000E+00 volume -5.17591E+04 ppm1 9.125 ppm2 2.002
ASSI { 1533}
(( segid " A" and resid 72 and name HN ))
(( segid " A" and resid 71 and name HB1 ))
4.077 2.038 2.038 peak 1533 weight 1.00000E+00 volume -1.53888E+05 ppm1 9.121 ppm2 1.814
ASSI { 1534}
(( segid " A" and resid 167 and name HN ))
(( segid " A" and resid 166 and name HB ))
4.686 2.343 2.343 peak 1534 weight 1.00000E+00 volume -6.67146E+04 ppm1 9.122 ppm2 1.719
ASSI { 1535}
(( segid " A" and resid 167 and name HN ))
( segid " A" and resid 133 and name HG2#)
3.402 1.682 1.701 peak 1535 weight 1.00000E+00 volume -1.61085E+04 ppm1 9.125 ppm2 0.777
ASSI { 1536}
(( segid " A" and resid 73 and name HN ))
(( segid " A" and resid 71 and name HG2 ))
4.437 2.219 2.219 peak 1536 weight 1.00000E+00 volume -3.96624E+03 ppm1 8.796 ppm2 2.212
ASSI { 1537}
(( segid " A" and resid 73 and name HN ))
(( segid " A" and resid 81 and name HB ))
4.994 2.497 2.497 peak 1537 weight 1.00000E+00 volume -1.03930E+02 ppm1 8.800 ppm2 2.043
ASSI { 1538}
(( segid " A" and resid 73 and name HN ))
(( segid " A" and resid 83 and name HB2 ))
5.083 2.541 2.541 peak 1538 weight 1.00000E+00 volume 1.59294E+03 ppm1 8.799 ppm2 2.004
ASSI { 1539}
(( segid " A" and resid 73 and name HN ))
(( segid " A" and resid 71 and name HB2 ))
5.065 2.533 2.533 peak 1539 weight 1.00000E+00 volume 4.17802E+03 ppm1 8.799 ppm2 1.998
ASSI { 1540}
(( segid " A" and resid 73 and name HN ))
(( segid " A" and resid 71 and name HB1 ))
5.529 2.764 2.471 peak 1540 weight 1.00000E+00 volume -2.36073E+03 ppm1 8.803 ppm2 1.805
ASSI { 1541}
(( segid " A" and resid 73 and name HN ))
(( segid " A" and resid 72 and name HB2 ))
3.970 1.985 1.985 peak 1541 weight 1.00000E+00 volume -1.80517E+05 ppm1 8.786 ppm2 2.724
ASSI { 1542}
(( segid " A" and resid 73 and name HN ))
(( segid " A" and resid 72 and name HA ))
3.193 1.473 1.596 peak 1542 weight 1.00000E+00 volume -6.66661E+05 ppm1 8.784 ppm2 4.115
ASSI { 1543}
(( segid " A" and resid 73 and name HN ))
(( segid " A" and resid 73 and name HA ))
3.191 1.471 1.596 peak 1543 weight 1.00000E+00 volume -6.68554E+05 ppm1 8.784 ppm2 4.226
ASSI { 1544}
(( segid " A" and resid 73 and name HN ))
( segid " A" and resid 82 and name HD# )
3.896 1.948 1.948 peak 1544 weight 1.00000E+00 volume -2.02001E+05 ppm1 8.790 ppm2 6.998
ASSI { 1545}
(( segid " A" and resid 73 and name HN ))
(( segid " A" and resid 82 and name HN ))
4.176 2.088 2.088 peak 1545 weight 1.00000E+00 volume -1.33195E+05 ppm1 8.794 ppm2 9.066
ASSI { 1546}
(( segid " A" and resid 108 and name HN ))
(( segid " A" and resid 73 and name HN ))
4.230 2.115 2.115 peak 1546 weight 1.00000E+00 volume -1.23208E+05 ppm1 8.792 ppm2 9.107
ASSI { 1547}
(( segid " A" and resid 72 and name HN ))
(( segid " A" and resid 73 and name HN ))
4.562 2.281 2.281 peak 1547 weight 1.00000E+00 volume -4.28145E+03 ppm1 8.794 ppm2 9.129
ASSI { 1548}
(( segid " A" and resid 83 and name HN ))
(( segid " A" and resid 73 and name HN ))
4.367 2.184 2.184 peak 1548 weight 1.00000E+00 volume -1.01808E+05 ppm1 8.796 ppm2 9.327
ASSI { 1549}
(( segid " A" and resid 74 and name HN ))
(( segid " A" and resid 75 and name HN ))
4.289 2.144 2.144 peak 1549 weight 1.00000E+00 volume -7.57234E+03 ppm1 6.317 ppm2 8.421
ASSI { 1550}
(( segid " A" and resid 74 and name HN ))
(( segid " A" and resid 73 and name HA ))
2.795 1.075 1.397 peak 1550 weight 1.00000E+00 volume -9.08713E+04 ppm1 6.321 ppm2 4.228
ASSI { 1552}
(( segid " A" and resid 74 and name HN ))
(( segid " A" and resid 75 and name HN ))
4.416 2.208 2.208 peak 1552 weight 1.00000E+00 volume -3.54729E+03 ppm1 8.415 ppm2 6.320
ASSI { 1554}
(( segid " A" and resid 76 and name HN ))
(( segid " A" and resid 80 and name HN ))
4.672 2.336 2.336 peak 1554 weight 1.00000E+00 volume -1.36600E+03 ppm1 8.822 ppm2 9.035
ASSI { 1556}
(( segid " A" and resid 76 and name HN ))
(( segid " A" and resid 75 and name HN ))
3.947 1.974 1.974 peak 1556 weight 1.00000E+00 volume -1.45726E+04 ppm1 8.822 ppm2 8.418
ASSI { 1557}
(( segid " A" and resid 76 and name HN ))
(( segid " A" and resid 79 and name HN ))
4.492 2.246 2.246 peak 1557 weight 1.00000E+00 volume -5.57134E+03 ppm1 8.821 ppm2 7.732
ASSI { 1558}
(( segid " A" and resid 76 and name HN ))
( segid " A" and resid 74 and name HE# )
4.548 2.274 2.274 peak 1558 weight 1.00000E+00 volume -9.31539E+03 ppm1 8.821 ppm2 6.601
ASSI { 1559}
(( segid " A" and resid 76 and name HN ))
(( segid " A" and resid 76 and name HA ))
2.498 0.778 1.249 peak 1559 weight 1.00000E+00 volume -2.90771E+06 ppm1 8.821 ppm2 4.714
ASSI { 1560}
(( segid " A" and resid 76 and name HN ))
(( segid " A" and resid 75 and name HA ))
2.542 0.822 1.271 peak 1560 weight 1.00000E+00 volume -2.61889E+06 ppm1 8.821 ppm2 4.720
ASSI { 1561}
(( segid " A" and resid 76 and name HN ))
(( segid " A" and resid 77 and name HA2 ))
5.339 2.670 2.661 peak 1561 weight 1.00000E+00 volume 3.04831E+04 ppm1 8.828 ppm2 3.952
ASSI { 1562}
(( segid " A" and resid 76 and name HN ))
(( segid " A" and resid 80 and name HB2 ))
4.091 2.045 2.045 peak 1562 weight 1.00000E+00 volume -9.93676E+03 ppm1 8.823 ppm2 2.886
ASSI { 1563}
(( segid " A" and resid 76 and name HN ))
(( segid " A" and resid 79 and name HB2 ))
3.786 1.893 1.893 peak 1563 weight 1.00000E+00 volume -2.39746E+05 ppm1 8.819 ppm2 2.816
ASSI { 1564}
(( segid " A" and resid 76 and name HN ))
(( segid " A" and resid 79 and name HB1 ))
3.775 1.888 1.888 peak 1564 weight 1.00000E+00 volume -7.29986E+03 ppm1 8.820 ppm2 2.439
ASSI { 1568}
(( segid " A" and resid 77 and name HA1 ))
(( segid " A" and resid 77 and name HN ))
4.020 2.010 2.010 peak 1568 weight 1.00000E+00 volume -8.05777E+03 ppm1 8.586 ppm2 3.564
ASSI { 1569}
(( segid " A" and resid 77 and name HA2 ))
(( segid " A" and resid 77 and name HN ))
4.550 2.275 2.275 peak 1569 weight 1.00000E+00 volume -3.30156E+03 ppm1 8.603 ppm2 3.940
ASSI { 1571}
(( segid " A" and resid 76 and name HA ))
(( segid " A" and resid 77 and name HN ))
4.206 2.103 2.103 peak 1571 weight 1.00000E+00 volume -2.83162E+03 ppm1 8.604 ppm2 4.714
ASSI { 1572}
(( segid " A" and resid 75 and name HA ))
(( segid " A" and resid 77 and name HN ))
4.206 2.103 2.103 peak 1572 weight 1.00000E+00 volume -2.83162E+03 ppm1 8.604 ppm2 4.720
ASSI { 1573}
(( segid " A" and resid 79 and name HN ))
(( segid " A" and resid 77 and name HN ))
4.873 2.437 2.437 peak 1573 weight 1.00000E+00 volume -5.09762E+03 ppm1 8.579 ppm2 7.733
ASSI { 1574}
(( segid " A" and resid 76 and name HN ))
(( segid " A" and resid 77 and name HN ))
5.289 2.645 2.645 peak 1574 weight 1.00000E+00 volume -3.22471E+04 ppm1 8.603 ppm2 8.823
ASSI { 1575}
(( segid " A" and resid 79 and name HN ))
(( segid " A" and resid 80 and name HN ))
4.814 2.407 2.407 peak 1575 weight 1.00000E+00 volume -5.67755E+04 ppm1 7.737 ppm2 9.036
ASSI { 1576}
(( segid " A" and resid 79 and name HN ))
(( segid " A" and resid 78 and name HA ))
2.533 0.813 1.267 peak 1576 weight 1.00000E+00 volume -2.67154E+06 ppm1 7.731 ppm2 4.731
ASSI { 1578}
(( segid " A" and resid 79 and name HN ))
(( segid " A" and resid 80 and name HA ))
4.238 2.119 2.119 peak 1578 weight 1.00000E+00 volume -3.68489E+03 ppm1 7.729 ppm2 4.555
ASSI { 1579}
(( segid " A" and resid 79 and name HN ))
(( segid " A" and resid 77 and name HA2 ))
4.527 2.264 2.264 peak 1579 weight 1.00000E+00 volume -8.20016E+04 ppm1 7.722 ppm2 3.943
ASSI { 1581}
(( segid " A" and resid 79 and name HN ))
(( segid " A" and resid 78 and name HB2 ))
3.326 1.606 1.663 peak 1581 weight 1.00000E+00 volume -1.73278E+04 ppm1 7.724 ppm2 2.917
ASSI { 1582}
(( segid " A" and resid 79 and name HN ))
(( segid " A" and resid 76 and name HB1 ))
3.158 1.438 1.579 peak 1582 weight 1.00000E+00 volume -2.00113E+04 ppm1 7.725 ppm2 2.712
ASSI { 1583}
(( segid " A" and resid 79 and name HN ))
(( segid " A" and resid 78 and name HB1 ))
3.539 1.770 1.770 peak 1583 weight 1.00000E+00 volume -1.15498E+04 ppm1 7.723 ppm2 2.545
ASSI { 1584}
(( segid " A" and resid 79 and name HN ))
(( segid " A" and resid 76 and name HB2 ))
3.600 1.800 1.800 peak 1584 weight 1.00000E+00 volume -7.82777E+03 ppm1 7.727 ppm2 2.375
ASSI { 1586}
(( segid " A" and resid 80 and name HN ))
( segid " A" and resid 98 and name HD1#)
3.474 1.737 1.737 peak 1586 weight 1.00000E+00 volume -4.01691E+05 ppm1 9.037 ppm2 0.666
ASSI { 1588}
(( segid " A" and resid 80 and name HN ))
(( segid " A" and resid 93 and name HB2 ))
4.364 2.182 2.182 peak 1588 weight 1.00000E+00 volume -1.02275E+05 ppm1 9.033 ppm2 1.554
ASSI { 1590}
(( segid " A" and resid 80 and name HN ))
(( segid " A" and resid 93 and name HB1 ))
4.406 2.203 2.203 peak 1590 weight 1.00000E+00 volume -8.16364E+03 ppm1 9.040 ppm2 1.681
ASSI { 1591}
(( segid " A" and resid 80 and name HN ))
(( segid " A" and resid 92 and name HB2 ))
5.805 2.902 2.195 peak 1591 weight 1.00000E+00 volume -5.69372E+03 ppm1 9.042 ppm2 1.902
ASSI { 1592}
(( segid " A" and resid 80 and name HN ))
(( segid " A" and resid 80 and name HB2 ))
3.375 1.655 1.687 peak 1592 weight 1.00000E+00 volume -4.78129E+05 ppm1 9.034 ppm2 2.890
ASSI { 1593}
(( segid " A" and resid 80 and name HN ))
(( segid " A" and resid 80 and name HB1 ))
3.273 1.553 1.636 peak 1593 weight 1.00000E+00 volume -5.74660E+05 ppm1 9.036 ppm2 2.947
ASSI { 1594}
(( segid " A" and resid 80 and name HN ))
(( segid " A" and resid 81 and name HA ))
5.222 2.611 2.611 peak 1594 weight 1.00000E+00 volume -5.18328E+03 ppm1 9.042 ppm2 4.436
ASSI { 1595}
(( segid " A" and resid 80 and name HN ))
(( segid " A" and resid 93 and name HA ))
3.723 1.862 1.862 peak 1595 weight 1.00000E+00 volume -3.82805E+03 ppm1 9.035 ppm2 4.839
ASSI { 1596}
(( segid " A" and resid 80 and name HN ))
(( segid " A" and resid 92 and name HA ))
4.429 2.214 2.214 peak 1596 weight 1.00000E+00 volume -1.34894E+04 ppm1 9.035 ppm2 5.591
ASSI { 1597}
(( segid " A" and resid 80 and name HN ))
( segid " A" and resid 82 and name HD# )
3.580 1.790 1.790 peak 1597 weight 1.00000E+00 volume -7.70207E+03 ppm1 9.034 ppm2 6.983
ASSI { 1598}
(( segid " A" and resid 79 and name HN ))
(( segid " A" and resid 80 and name HN ))
7.132 3.566 0.868 peak 1598 weight 1.00000E+00 volume -6.04922E+03 ppm1 9.039 ppm2 7.732
ASSI { 1599}
(( segid " A" and resid 81 and name HN ))
(( segid " A" and resid 80 and name HN ))
8.000 4.000 0.000 peak 1599 weight 1.00000E+00 volume -6.83821E+03 ppm1 9.042 ppm2 8.478
ASSI { 1600}
(( segid " A" and resid 76 and name HN ))
(( segid " A" and resid 80 and name HN ))
5.541 2.770 2.459 peak 1600 weight 1.00000E+00 volume -5.78608E+03 ppm1 9.049 ppm2 8.820
ASSI { 1601}
(( segid " A" and resid 81 and name HN ))
(( segid " A" and resid 82 and name HN ))
5.195 2.598 2.598 peak 1601 weight 1.00000E+00 volume -9.48110E+03 ppm1 8.490 ppm2 9.064
ASSI { 1602}
(( segid " A" and resid 81 and name HN ))
(( segid " A" and resid 80 and name HN ))
5.195 2.598 2.598 peak 1602 weight 1.00000E+00 volume -9.48110E+03 ppm1 8.490 ppm2 9.036
ASSI { 1603}
(( segid " A" and resid 81 and name HN ))
(( segid " A" and resid 76 and name HN ))
4.056 2.028 2.028 peak 1603 weight 1.00000E+00 volume -1.54245E+04 ppm1 8.485 ppm2 8.823
ASSI { 1604}
(( segid " A" and resid 81 and name HN ))
(( segid " A" and resid 73 and name HN ))
4.325 2.163 2.163 peak 1604 weight 1.00000E+00 volume -6.01038E+03 ppm1 8.484 ppm2 8.787
ASSI { 1606}
(( segid " A" and resid 81 and name HN ))
( segid " A" and resid 82 and name HD# )
4.467 2.233 2.233 peak 1606 weight 1.00000E+00 volume -3.49747E+03 ppm1 8.491 ppm2 6.977
ASSI { 1607}
(( segid " A" and resid 81 and name HN ))
(( segid " A" and resid 92 and name HA ))
3.783 1.891 1.891 peak 1607 weight 1.00000E+00 volume -5.67996E+03 ppm1 8.482 ppm2 5.641
ASSI { 1608}
(( segid " A" and resid 81 and name HN ))
(( segid " A" and resid 75 and name HA ))
2.760 1.040 1.380 peak 1608 weight 1.00000E+00 volume -4.29386E+04 ppm1 8.483 ppm2 4.721
ASSI { 1609}
(( segid " A" and resid 81 and name HN ))
(( segid " A" and resid 81 and name HA ))
3.500 1.750 1.750 peak 1609 weight 1.00000E+00 volume -3.84478E+05 ppm1 8.484 ppm2 4.437
ASSI { 1610}
(( segid " A" and resid 81 and name HN ))
(( segid " A" and resid 74 and name HA ))
4.345 2.172 2.172 peak 1610 weight 1.00000E+00 volume -1.05013E+05 ppm1 8.444 ppm2 4.187
ASSI { 1611}
(( segid " A" and resid 81 and name HN ))
(( segid " A" and resid 80 and name HB1 ))
5.237 2.618 2.618 peak 1611 weight 1.00000E+00 volume -4.99976E+03 ppm1 8.492 ppm2 2.948
ASSI { 1612}
(( segid " A" and resid 81 and name HN ))
(( segid " A" and resid 80 and name HB2 ))
4.494 2.247 2.247 peak 1612 weight 1.00000E+00 volume -1.45495E+04 ppm1 8.486 ppm2 2.885
ASSI { 1613}
(( segid " A" and resid 81 and name HN ))
(( segid " A" and resid 74 and name HB1 ))
4.342 2.171 2.171 peak 1613 weight 1.00000E+00 volume -1.47262E+04 ppm1 8.484 ppm2 2.842
ASSI { 1614}
(( segid " A" and resid 81 and name HN ))
( segid " A" and resid 75 and name HB# )
4.252 2.126 2.126 peak 1614 weight 1.00000E+00 volume -1.19482E+05 ppm1 8.483 ppm2 1.269
ASSI { 1615}
(( segid " A" and resid 82 and name HN ))
( segid " A" and resid 91 and name HG2#)
3.654 1.827 1.827 peak 1615 weight 1.00000E+00 volume -2.96681E+05 ppm1 9.055 ppm2 0.967
ASSI { 1618}
(( segid " A" and resid 82 and name HN ))
(( segid " A" and resid 81 and name HB ))
3.493 1.747 1.747 peak 1618 weight 1.00000E+00 volume -1.79769E+04 ppm1 9.054 ppm2 2.040
ASSI { 1619}
(( segid " A" and resid 82 and name HN ))
(( segid " A" and resid 91 and name HA ))
3.888 1.944 1.944 peak 1619 weight 1.00000E+00 volume -9.69091E+03 ppm1 9.053 ppm2 4.571
ASSI { 1620}
(( segid " A" and resid 82 and name HN ))
(( segid " A" and resid 83 and name HA ))
3.444 1.722 1.722 peak 1620 weight 1.00000E+00 volume -1.32184E+04 ppm1 9.055 ppm2 5.167
ASSI { 1621}
(( segid " A" and resid 82 and name HN ))
(( segid " A" and resid 82 and name HA ))
3.608 1.804 1.804 peak 1621 weight 1.00000E+00 volume -1.58481E+04 ppm1 9.054 ppm2 5.345
ASSI { 1622}
(( segid " A" and resid 82 and name HN ))
(( segid " A" and resid 90 and name HA ))
4.137 2.068 2.068 peak 1622 weight 1.00000E+00 volume -6.78607E+03 ppm1 9.054 ppm2 5.440
ASSI { 1623}
(( segid " A" and resid 82 and name HN ))
(( segid " A" and resid 92 and name HA ))
4.035 2.018 2.018 peak 1623 weight 1.00000E+00 volume -1.29952E+04 ppm1 9.055 ppm2 5.590
ASSI { 1624}
(( segid " A" and resid 81 and name HN ))
(( segid " A" and resid 82 and name HN ))
5.315 2.658 2.658 peak 1624 weight 1.00000E+00 volume -3.13105E+04 ppm1 9.050 ppm2 8.485
ASSI { 1625}
(( segid " A" and resid 73 and name HN ))
(( segid " A" and resid 82 and name HN ))
4.432 2.216 2.216 peak 1625 weight 1.00000E+00 volume -8.15656E+03 ppm1 9.054 ppm2 8.787
ASSI { 1626}
(( segid " A" and resid 82 and name HN ))
(( segid " A" and resid 91 and name HN ))
3.333 1.613 1.667 peak 1626 weight 1.00000E+00 volume -5.15046E+05 ppm1 9.054 ppm2 8.932
ASSI { 1627}
(( segid " A" and resid 93 and name HN ))
(( segid " A" and resid 82 and name HN ))
4.076 2.038 2.038 peak 1627 weight 1.00000E+00 volume -1.54001E+05 ppm1 9.055 ppm2 9.249
ASSI { 1628}
(( segid " A" and resid 83 and name HN ))
(( segid " A" and resid 82 and name HN ))
5.054 2.527 2.527 peak 1628 weight 1.00000E+00 volume -4.23765E+04 ppm1 9.050 ppm2 9.317
ASSI { 1630}
(( segid " A" and resid 83 and name HN ))
(( segid " A" and resid 82 and name HN ))
3.297 1.577 1.648 peak 1630 weight 1.00000E+00 volume -5.49890E+05 ppm1 9.325 ppm2 9.063
ASSI { 1631}
(( segid " A" and resid 83 and name HN ))
(( segid " A" and resid 91 and name HN ))
5.301 2.651 2.651 peak 1631 weight 1.00000E+00 volume -3.18197E+04 ppm1 9.310 ppm2 8.930
ASSI { 1632}
(( segid " A" and resid 83 and name HN ))
(( segid " A" and resid 73 and name HN ))
4.262 2.131 2.131 peak 1632 weight 1.00000E+00 volume -1.17772E+05 ppm1 9.326 ppm2 8.787
ASSI { 1633}
(( segid " A" and resid 83 and name HN ))
(( segid " A" and resid 84 and name HN ))
3.753 1.876 1.876 peak 1633 weight 1.00000E+00 volume -1.95266E+04 ppm1 9.326 ppm2 8.682
ASSI { 1636}
(( segid " A" and resid 83 and name HN ))
(( segid " A" and resid 72 and name HA ))
6.021 3.010 1.979 peak 1636 weight 1.00000E+00 volume -9.76355E+03 ppm1 9.327 ppm2 4.129
ASSI { 1637}
(( segid " A" and resid 83 and name HN ))
(( segid " A" and resid 82 and name HB1 ))
3.318 1.598 1.659 peak 1637 weight 1.00000E+00 volume -2.31321E+04 ppm1 9.322 ppm2 2.972
ASSI { 1638}
(( segid " A" and resid 83 and name HN ))
(( segid " A" and resid 82 and name HB2 ))
3.948 1.974 1.974 peak 1638 weight 1.00000E+00 volume -1.86478E+05 ppm1 9.320 ppm2 2.913
ASSI { 1639}
(( segid " A" and resid 83 and name HN ))
(( segid " A" and resid 71 and name HG2 ))
7.800 3.900 0.200 peak 1639 weight 1.00000E+00 volume -3.13549E+03 ppm1 9.320 ppm2 2.214
ASSI { 1642}
(( segid " A" and resid 83 and name HN ))
(( segid " A" and resid 70 and name HB2 ))
3.521 1.761 1.761 peak 1642 weight 1.00000E+00 volume -1.96344E+04 ppm1 9.322 ppm2 1.613
ASSI { 1643}
(( segid " A" and resid 83 and name HN ))
( segid " A" and resid 73 and name HD2#)
3.904 1.952 1.952 peak 1643 weight 1.00000E+00 volume -1.99446E+05 ppm1 9.326 ppm2 0.948
ASSI { 1646}
(( segid " A" and resid 84 and name HN ))
(( segid " A" and resid 83 and name HB2 ))
3.325 1.605 1.663 peak 1646 weight 1.00000E+00 volume -5.22342E+05 ppm1 8.681 ppm2 2.002
ASSI { 1647}
(( segid " A" and resid 84 and name HN ))
(( segid " A" and resid 89 and name HA ))
4.201 2.100 2.100 peak 1647 weight 1.00000E+00 volume -1.28487E+05 ppm1 8.686 ppm2 4.351
ASSI { 1648}
(( segid " A" and resid 84 and name HN ))
(( segid " A" and resid 88 and name HA ))
4.056 2.028 2.028 peak 1648 weight 1.00000E+00 volume -1.58581E+05 ppm1 8.684 ppm2 4.425
ASSI { 1649}
(( segid " A" and resid 84 and name HN ))
(( segid " A" and resid 84 and name HA ))
3.254 1.534 1.627 peak 1649 weight 1.00000E+00 volume -5.94690E+05 ppm1 8.680 ppm2 4.665
ASSI { 1651}
(( segid " A" and resid 89 and name HN ))
(( segid " A" and resid 84 and name HN ))
4.388 2.194 2.194 peak 1651 weight 1.00000E+00 volume -7.08307E+03 ppm1 8.679 ppm2 7.664
ASSI { 1652}
(( segid " A" and resid 88 and name HN ))
(( segid " A" and resid 84 and name HN ))
5.968 2.984 2.032 peak 1652 weight 1.00000E+00 volume -4.14612E+03 ppm1 8.680 ppm2 7.967
ASSI { 1655}
(( segid " A" and resid 91 and name HN ))
(( segid " A" and resid 84 and name HN ))
3.853 1.927 1.927 peak 1655 weight 1.00000E+00 volume -1.29118E+04 ppm1 8.682 ppm2 8.931
ASSI { 1656}
(( segid " A" and resid 84 and name HN ))
(( segid " A" and resid 71 and name HN ))
5.525 2.763 2.475 peak 1656 weight 1.00000E+00 volume 2.41252E+03 ppm1 8.682 ppm2 9.082
ASSI { 1657}
(( segid " A" and resid 85 and name HN ))
(( segid " A" and resid 71 and name HN ))
4.145 2.073 2.073 peak 1657 weight 1.00000E+00 volume -9.14730E+03 ppm1 8.698 ppm2 9.080
ASSI { 1658}
(( segid " A" and resid 85 and name HN ))
(( segid " A" and resid 86 and name HN ))
4.246 2.123 2.123 peak 1658 weight 1.00000E+00 volume -1.20509E+05 ppm1 8.687 ppm2 8.718
ASSI { 1659}
(( segid " A" and resid 85 and name HN ))
(( segid " A" and resid 69 and name HN ))
4.309 2.154 2.154 peak 1659 weight 1.00000E+00 volume -1.10341E+05 ppm1 8.687 ppm2 8.694
ASSI { 1660}
(( segid " A" and resid 85 and name HN ))
(( segid " A" and resid 84 and name HN ))
4.309 2.154 2.154 peak 1660 weight 1.00000E+00 volume -1.10341E+05 ppm1 8.687 ppm2 8.681
ASSI { 1661}
(( segid " A" and resid 85 and name HN ))
(( segid " A" and resid 87 and name HN ))
5.657 2.829 2.343 peak 1661 weight 1.00000E+00 volume -2.15445E+04 ppm1 8.703 ppm2 8.078
ASSI { 1662}
(( segid " A" and resid 85 and name HN ))
(( segid " A" and resid 70 and name HA ))
4.331 2.165 2.165 peak 1662 weight 1.00000E+00 volume -1.07082E+05 ppm1 8.687 ppm2 5.177
ASSI { 1663}
(( segid " A" and resid 85 and name HN ))
(( segid " A" and resid 84 and name HA ))
2.773 1.053 1.387 peak 1663 weight 1.00000E+00 volume -1.55247E+06 ppm1 8.687 ppm2 4.664
ASSI { 1665}
(( segid " A" and resid 85 and name HN ))
(( segid " A" and resid 85 and name HA ))
5.072 2.536 2.536 peak 1665 weight 1.00000E+00 volume -4.14603E+04 ppm1 8.694 ppm2 4.325
ASSI { 1667}
(( segid " A" and resid 85 and name HN ))
(( segid " A" and resid 84 and name HB2 ))
4.446 2.223 2.223 peak 1667 weight 1.00000E+00 volume -9.14098E+04 ppm1 8.700 ppm2 2.520
ASSI { 1668}
(( segid " A" and resid 85 and name HN ))
(( segid " A" and resid 69 and name HB2 ))
3.599 1.799 1.799 peak 1668 weight 1.00000E+00 volume -1.12629E+04 ppm1 8.690 ppm2 1.747
ASSI { 1669}
(( segid " A" and resid 86 and name HN ))
(( segid " A" and resid 69 and name HB2 ))
4.294 2.147 2.147 peak 1669 weight 1.00000E+00 volume -1.12635E+05 ppm1 8.716 ppm2 1.746
ASSI { 1670}
(( segid " A" and resid 84 and name HB2 ))
(( segid " A" and resid 86 and name HN ))
6.037 3.018 1.963 peak 1670 weight 1.00000E+00 volume -1.35874E+04 ppm1 8.716 ppm2 2.517
ASSI { 1671}
(( segid " A" and resid 86 and name HN ))
(( segid " A" and resid 85 and name HB2 ))
4.890 2.445 2.445 peak 1671 weight 1.00000E+00 volume -9.74803E+03 ppm1 8.719 ppm2 2.637
ASSI { 1672}
(( segid " A" and resid 86 and name HN ))
(( segid " A" and resid 85 and name HB1 ))
4.691 2.345 2.345 peak 1672 weight 1.00000E+00 volume -1.60371E+04 ppm1 8.716 ppm2 2.791
ASSI { 1673}
(( segid " A" and resid 86 and name HN ))
(( segid " A" and resid 86 and name HA ))
3.384 1.664 1.692 peak 1673 weight 1.00000E+00 volume -4.70607E+05 ppm1 8.717 ppm2 4.204
ASSI { 1674}
(( segid " A" and resid 86 and name HN ))
(( segid " A" and resid 85 and name HA ))
3.073 1.353 1.536 peak 1674 weight 1.00000E+00 volume -8.39213E+05 ppm1 8.717 ppm2 4.325
ASSI { 1676}
(( segid " A" and resid 88 and name HN ))
(( segid " A" and resid 86 and name HN ))
5.372 2.686 2.628 peak 1676 weight 1.00000E+00 volume -2.93798E+04 ppm1 8.718 ppm2 7.933
ASSI { 1677}
(( segid " A" and resid 85 and name HN ))
(( segid " A" and resid 86 and name HN ))
2.347 0.627 1.174 peak 1677 weight 1.00000E+00 volume -4.22187E+06 ppm1 8.718 ppm2 8.690
ASSI { 1679}
(( segid " A" and resid 85 and name HN ))
(( segid " A" and resid 87 and name HN ))
3.092 1.372 1.546 peak 1679 weight 1.00000E+00 volume -8.07480E+05 ppm1 8.066 ppm2 8.691
ASSI { 1680}
(( segid " A" and resid 89 and name HN ))
(( segid " A" and resid 87 and name HN ))
4.430 2.215 2.215 peak 1680 weight 1.00000E+00 volume -9.34257E+04 ppm1 8.055 ppm2 7.662
ASSI { 1681}
(( segid " A" and resid 87 and name HN ))
( segid " A" and resid 88 and name HD# )
4.780 2.390 2.390 peak 1681 weight 1.00000E+00 volume 5.92382E+04 ppm1 8.066 ppm2 7.181
ASSI { 1683}
(( segid " A" and resid 88 and name HA ))
(( segid " A" and resid 87 and name HN ))
3.388 1.668 1.694 peak 1683 weight 1.00000E+00 volume -1.85260E+04 ppm1 8.071 ppm2 4.424
ASSI { 1685}
(( segid " A" and resid 87 and name HN ))
(( segid " A" and resid 86 and name HA ))
4.299 2.150 2.150 peak 1685 weight 1.00000E+00 volume -2.94240E+03 ppm1 8.065 ppm2 4.205
ASSI { 1686}
(( segid " A" and resid 84 and name HB2 ))
(( segid " A" and resid 87 and name HN ))
3.839 1.920 1.920 peak 1686 weight 1.00000E+00 volume -1.52844E+04 ppm1 8.063 ppm2 2.522
ASSI { 1687}
(( segid " A" and resid 88 and name HN ))
(( segid " A" and resid 86 and name HB2 ))
3.615 1.808 1.808 peak 1687 weight 1.00000E+00 volume -2.00360E+04 ppm1 7.935 ppm2 1.966
ASSI { 1688}
(( segid " A" and resid 88 and name HN ))
(( segid " A" and resid 84 and name HB2 ))
4.308 2.154 2.154 peak 1688 weight 1.00000E+00 volume -1.10438E+05 ppm1 7.939 ppm2 2.522
ASSI { 1689}
(( segid " A" and resid 88 and name HN ))
(( segid " A" and resid 88 and name HB1 ))
4.230 2.115 2.115 peak 1689 weight 1.00000E+00 volume -1.23207E+05 ppm1 7.936 ppm2 3.347
ASSI { 1690}
(( segid " A" and resid 88 and name HN ))
(( segid " A" and resid 88 and name HB2 ))
3.882 1.941 1.941 peak 1690 weight 1.00000E+00 volume -2.06515E+05 ppm1 7.934 ppm2 3.460
ASSI { 1691}
(( segid " A" and resid 88 and name HN ))
(( segid " A" and resid 87 and name HB2 ))
4.756 2.378 2.378 peak 1691 weight 1.00000E+00 volume -8.34311E+03 ppm1 7.944 ppm2 3.671
ASSI { 1692}
(( segid " A" and resid 88 and name HN ))
(( segid " A" and resid 87 and name HA ))
3.453 1.727 1.727 peak 1692 weight 1.00000E+00 volume -1.68588E+04 ppm1 7.932 ppm2 4.315
ASSI { 1695}
(( segid " A" and resid 88 and name HN ))
( segid " A" and resid 88 and name HD# )
3.977 1.989 1.989 peak 1695 weight 1.00000E+00 volume -1.78375E+05 ppm1 7.935 ppm2 7.182
ASSI { 1696}
(( segid " A" and resid 88 and name HN ))
(( segid " A" and resid 87 and name HN ))
3.342 1.622 1.671 peak 1696 weight 1.00000E+00 volume -5.06551E+05 ppm1 7.935 ppm2 8.074
ASSI { 1697}
(( segid " A" and resid 88 and name HN ))
(( segid " A" and resid 84 and name HN ))
4.201 2.101 2.101 peak 1697 weight 1.00000E+00 volume -1.28479E+05 ppm1 7.932 ppm2 8.679
ASSI { 1698}
(( segid " A" and resid 89 and name HN ))
(( segid " A" and resid 90 and name HN ))
4.371 2.185 2.185 peak 1698 weight 1.00000E+00 volume -1.11874E+04 ppm1 7.661 ppm2 8.724
ASSI { 1699}
(( segid " A" and resid 89 and name HN ))
(( segid " A" and resid 87 and name HN ))
4.680 2.340 2.340 peak 1699 weight 1.00000E+00 volume -6.72345E+04 ppm1 7.653 ppm2 8.076
ASSI { 1700}
(( segid " A" and resid 89 and name HN ))
( segid " A" and resid 88 and name HD# )
4.692 2.346 2.346 peak 1700 weight 1.00000E+00 volume -1.86926E+03 ppm1 7.635 ppm2 7.184
ASSI { 1701}
(( segid " A" and resid 83 and name HA ))
(( segid " A" and resid 89 and name HN ))
5.104 2.552 2.552 peak 1701 weight 1.00000E+00 volume 5.32711E+02 ppm1 7.661 ppm2 5.163
ASSI { 1702}
(( segid " A" and resid 89 and name HN ))
(( segid " A" and resid 88 and name HA ))
2.992 1.272 1.496 peak 1702 weight 1.00000E+00 volume -5.34520E+04 ppm1 7.659 ppm2 4.426
ASSI { 1703}
(( segid " A" and resid 89 and name HN ))
(( segid " A" and resid 87 and name HA ))
2.922 1.202 1.461 peak 1703 weight 1.00000E+00 volume -8.08544E+04 ppm1 7.661 ppm2 4.313
ASSI { 1705}
(( segid " A" and resid 89 and name HN ))
(( segid " A" and resid 88 and name HB2 ))
4.492 2.246 2.246 peak 1705 weight 1.00000E+00 volume -8.65565E+03 ppm1 7.657 ppm2 3.460
ASSI { 1706}
(( segid " A" and resid 89 and name HN ))
(( segid " A" and resid 88 and name HB1 ))
4.613 2.307 2.307 peak 1706 weight 1.00000E+00 volume -7.32762E+04 ppm1 7.649 ppm2 3.349
ASSI { 1707}
( segid " A" and resid 81 and name HG1#)
(( segid " A" and resid 90 and name HN ))
3.900 1.950 1.950 peak 1707 weight 1.00000E+00 volume -2.00777E+05 ppm1 8.725 ppm2 0.717
ASSI { 1708}
(( segid " A" and resid 89 and name HB1 ))
(( segid " A" and resid 90 and name HN ))
4.453 2.227 2.227 peak 1708 weight 1.00000E+00 volume -9.05556E+04 ppm1 8.724 ppm2 1.808
ASSI { 1709}
(( segid " A" and resid 90 and name HB2 ))
(( segid " A" and resid 90 and name HN ))
3.732 1.866 1.866 peak 1709 weight 1.00000E+00 volume -2.61598E+05 ppm1 8.725 ppm2 1.952
ASSI { 1710}
(( segid " A" and resid 89 and name HB2 ))
(( segid " A" and resid 90 and name HN ))
3.713 1.857 1.857 peak 1710 weight 1.00000E+00 volume -1.26515E+04 ppm1 8.722 ppm2 2.002
ASSI { 1711}
(( segid " A" and resid 89 and name HG2 ))
(( segid " A" and resid 90 and name HN ))
4.692 2.346 2.346 peak 1711 weight 1.00000E+00 volume -5.46805E+03 ppm1 8.736 ppm2 2.254
ASSI { 1712}
(( segid " A" and resid 84 and name HB2 ))
(( segid " A" and resid 90 and name HN ))
4.489 2.245 2.245 peak 1712 weight 1.00000E+00 volume -8.60172E+03 ppm1 8.737 ppm2 2.520
ASSI { 1713}
(( segid " A" and resid 88 and name HB1 ))
(( segid " A" and resid 90 and name HN ))
4.679 2.339 2.339 peak 1713 weight 1.00000E+00 volume -5.16921E+03 ppm1 8.726 ppm2 3.348
ASSI { 1714}
(( segid " A" and resid 88 and name HB2 ))
(( segid " A" and resid 90 and name HN ))
7.476 3.738 0.524 peak 1714 weight 1.00000E+00 volume -8.42414E+02 ppm1 8.726 ppm2 3.474
ASSI { 1715}
(( segid " A" and resid 89 and name HA ))
(( segid " A" and resid 90 and name HN ))
3.928 1.964 1.964 peak 1715 weight 1.00000E+00 volume -1.92212E+05 ppm1 8.728 ppm2 4.342
ASSI { 1717}
(( segid " A" and resid 91 and name HA ))
(( segid " A" and resid 90 and name HN ))
3.971 1.986 1.986 peak 1717 weight 1.00000E+00 volume -1.80009E+05 ppm1 8.726 ppm2 4.571
ASSI { 1718}
(( segid " A" and resid 90 and name HA ))
(( segid " A" and resid 90 and name HN ))
4.392 2.196 2.196 peak 1718 weight 1.00000E+00 volume -9.84100E+04 ppm1 8.722 ppm2 5.435
ASSI { 1720}
(( segid " A" and resid 84 and name HN ))
(( segid " A" and resid 90 and name HN ))
3.976 1.988 1.988 peak 1720 weight 1.00000E+00 volume -1.78723E+05 ppm1 8.724 ppm2 8.681
ASSI { 1721}
(( segid " A" and resid 91 and name HN ))
(( segid " A" and resid 90 and name HN ))
4.512 2.256 2.256 peak 1721 weight 1.00000E+00 volume -8.36827E+04 ppm1 8.725 ppm2 8.930
ASSI { 1723}
(( segid " A" and resid 83 and name HN ))
(( segid " A" and resid 91 and name HN ))
6.810 3.405 1.190 peak 1723 weight 1.00000E+00 volume 7.08066E+03 ppm1 8.925 ppm2 9.324
ASSI { 1724}
(( segid " A" and resid 82 and name HN ))
(( segid " A" and resid 91 and name HN ))
3.062 1.342 1.531 peak 1724 weight 1.00000E+00 volume -8.57472E+05 ppm1 8.930 ppm2 9.064
ASSI { 1725}
(( segid " A" and resid 91 and name HN ))
(( segid " A" and resid 90 and name HN ))
7.375 3.688 0.625 peak 1725 weight 1.00000E+00 volume 4.38777E+03 ppm1 8.931 ppm2 8.725
ASSI { 1726}
(( segid " A" and resid 91 and name HN ))
(( segid " A" and resid 84 and name HN ))
4.826 2.413 2.413 peak 1726 weight 1.00000E+00 volume 5.59073E+04 ppm1 8.931 ppm2 8.682
ASSI { 1727}
(( segid " A" and resid 91 and name HN ))
(( segid " A" and resid 92 and name HN ))
3.964 1.982 1.982 peak 1727 weight 1.00000E+00 volume 1.81899E+05 ppm1 8.925 ppm2 8.233
ASSI { 1728}
(( segid " A" and resid 91 and name HN ))
(( segid " A" and resid 92 and name HA ))
5.572 2.786 2.428 peak 1728 weight 1.00000E+00 volume -2.35961E+04 ppm1 8.935 ppm2 5.590
ASSI { 1729}
(( segid " A" and resid 91 and name HN ))
(( segid " A" and resid 82 and name HA ))
3.643 1.821 1.821 peak 1729 weight 1.00000E+00 volume -3.02245E+05 ppm1 8.926 ppm2 5.365
ASSI { 1730}
(( segid " A" and resid 91 and name HN ))
(( segid " A" and resid 81 and name HA ))
8.000 4.000 0.000 peak 1730 weight 1.00000E+00 volume -1.26193E+04 ppm1 8.925 ppm2 4.436
ASSI { 1731}
(( segid " A" and resid 91 and name HN ))
(( segid " A" and resid 89 and name HA ))
4.228 2.114 2.114 peak 1731 weight 1.00000E+00 volume -1.62391E+03 ppm1 8.922 ppm2 4.385
ASSI { 1732}
(( segid " A" and resid 92 and name HN ))
( segid " A" and resid 81 and name HG1#)
4.409 2.205 2.205 peak 1732 weight 1.00000E+00 volume -8.40754E+03 ppm1 8.255 ppm2 0.716
ASSI { 1733}
(( segid " A" and resid 92 and name HN ))
(( segid " A" and resid 91 and name HB ))
4.399 2.200 2.200 peak 1733 weight 1.00000E+00 volume -1.15334E+04 ppm1 8.245 ppm2 3.759
ASSI { 1734}
(( segid " A" and resid 92 and name HN ))
(( segid " A" and resid 81 and name HA ))
4.194 2.097 2.097 peak 1734 weight 1.00000E+00 volume -7.53716E+03 ppm1 8.253 ppm2 4.440
ASSI { 1735}
(( segid " A" and resid 91 and name HN ))
(( segid " A" and resid 92 and name HN ))
4.860 2.430 2.430 peak 1735 weight 1.00000E+00 volume -9.36719E+03 ppm1 8.253 ppm2 8.931
ASSI { 1736}
(( segid " A" and resid 82 and name HN ))
(( segid " A" and resid 92 and name HN ))
6.784 3.392 1.216 peak 1736 weight 1.00000E+00 volume -7.07688E+03 ppm1 8.249 ppm2 9.020
ASSI { 1737}
(( segid " A" and resid 93 and name HN ))
(( segid " A" and resid 92 and name HN ))
4.262 2.131 2.131 peak 1737 weight 1.00000E+00 volume -1.09539E+04 ppm1 8.261 ppm2 9.252
ASSI { 1738}
(( segid " A" and resid 93 and name HN ))
(( segid " A" and resid 82 and name HN ))
4.046 2.023 2.023 peak 1738 weight 1.00000E+00 volume -1.30756E+04 ppm1 9.248 ppm2 9.063
ASSI { 1739}
(( segid " A" and resid 93 and name HN ))
(( segid " A" and resid 94 and name HN ))
5.109 2.554 2.554 peak 1739 weight 1.00000E+00 volume -4.52637E+03 ppm1 9.260 ppm2 8.494
ASSI { 1740}
(( segid " A" and resid 93 and name HN ))
(( segid " A" and resid 94 and name HA ))
4.507 2.254 2.254 peak 1740 weight 1.00000E+00 volume -6.30052E+03 ppm1 9.252 ppm2 5.253
ASSI { 1741}
(( segid " A" and resid 93 and name HN ))
(( segid " A" and resid 79 and name HA ))
4.205 2.102 2.102 peak 1741 weight 1.00000E+00 volume -6.95736E+03 ppm1 9.244 ppm2 5.190
ASSI { 1742}
(( segid " A" and resid 93 and name HN ))
(( segid " A" and resid 80 and name HA ))
4.724 2.362 2.362 peak 1742 weight 1.00000E+00 volume -2.96481E+03 ppm1 9.261 ppm2 4.543
ASSI { 1743}
(( segid " A" and resid 93 and name HN ))
(( segid " A" and resid 81 and name HA ))
4.190 2.095 2.095 peak 1743 weight 1.00000E+00 volume -1.30604E+05 ppm1 9.248 ppm2 4.439
ASSI { 1744}
(( segid " A" and resid 93 and name HN ))
(( segid " A" and resid 80 and name HB1 ))
4.906 2.453 2.453 peak 1744 weight 1.00000E+00 volume -5.96191E+03 ppm1 9.247 ppm2 2.954
ASSI { 1745}
(( segid " A" and resid 93 and name HN ))
(( segid " A" and resid 80 and name HB2 ))
4.582 2.291 2.291 peak 1745 weight 1.00000E+00 volume -7.62741E+04 ppm1 9.257 ppm2 2.873
ASSI { 1746}
(( segid " A" and resid 93 and name HN ))
(( segid " A" and resid 79 and name HB2 ))
4.595 2.298 2.298 peak 1746 weight 1.00000E+00 volume -7.49963E+04 ppm1 9.259 ppm2 2.816
ASSI { 1747}
(( segid " A" and resid 93 and name HN ))
(( segid " A" and resid 79 and name HB1 ))
8.000 4.000 0.000 peak 1747 weight 1.00000E+00 volume -2.36761E+03 ppm1 9.251 ppm2 2.444
ASSI { 1748}
(( segid " A" and resid 93 and name HN ))
(( segid " A" and resid 92 and name HB2 ))
3.448 1.724 1.724 peak 1748 weight 1.00000E+00 volume -2.17276E+04 ppm1 9.248 ppm2 1.901
ASSI { 1749}
(( segid " A" and resid 93 and name HN ))
( segid " A" and resid 91 and name HG2#)
4.889 2.444 2.444 peak 1749 weight 1.00000E+00 volume -7.97678E+03 ppm1 9.247 ppm2 0.958
ASSI { 1751}
(( segid " A" and resid 93 and name HN ))
( segid " A" and resid 98 and name HD1#)
3.449 1.724 1.724 peak 1751 weight 1.00000E+00 volume -4.19711E+05 ppm1 9.250 ppm2 0.672
ASSI { 1752}
(( segid " A" and resid 94 and name HN ))
(( segid " A" and resid 93 and name HB1 ))
3.598 1.799 1.799 peak 1752 weight 1.00000E+00 volume -3.25551E+05 ppm1 8.490 ppm2 1.682
ASSI { 1753}
(( segid " A" and resid 95 and name HN ))
(( segid " A" and resid 94 and name HN ))
4.134 2.067 2.067 peak 1753 weight 1.00000E+00 volume -1.41548E+05 ppm1 8.494 ppm2 8.759
ASSI { 1754}
(( segid " A" and resid 93 and name HN ))
(( segid " A" and resid 94 and name HN ))
4.428 2.214 2.214 peak 1754 weight 1.00000E+00 volume -9.36407E+04 ppm1 8.493 ppm2 9.254
ASSI { 1755}
(( segid " A" and resid 95 and name HN ))
(( segid " A" and resid 94 and name HN ))
5.843 2.921 2.157 peak 1755 weight 1.00000E+00 volume 1.77532E+04 ppm1 8.760 ppm2 8.496
ASSI { 1757}
(( segid " A" and resid 95 and name HN ))
(( segid " A" and resid 78 and name HB2 ))
4.728 2.364 2.364 peak 1757 weight 1.00000E+00 volume 6.32561E+04 ppm1 8.775 ppm2 2.920
ASSI { 1758}
(( segid " A" and resid 95 and name HN ))
(( segid " A" and resid 78 and name HB1 ))
4.191 2.096 2.096 peak 1758 weight 1.00000E+00 volume 3.52628E+03 ppm1 8.757 ppm2 2.545
ASSI { 1759}
(( segid " A" and resid 95 and name HN ))
( segid " A" and resid 98 and name HD1#)
3.748 1.874 1.874 peak 1759 weight 1.00000E+00 volume -8.82369E+03 ppm1 8.753 ppm2 0.666
ASSI { 1761}
(( segid " A" and resid 98 and name HB2 ))
(( segid " A" and resid 96 and name HN ))
4.490 2.245 2.245 peak 1761 weight 1.00000E+00 volume -8.61568E+04 ppm1 8.345 ppm2 1.603
ASSI { 1763}
(( segid " A" and resid 95 and name HB2 ))
(( segid " A" and resid 96 and name HN ))
4.400 2.200 2.200 peak 1763 weight 1.00000E+00 volume -5.49470E+03 ppm1 8.355 ppm2 4.040
ASSI { 1764}
(( segid " A" and resid 94 and name HB2 ))
(( segid " A" and resid 96 and name HN ))
4.400 2.200 2.200 peak 1764 weight 1.00000E+00 volume -5.49470E+03 ppm1 8.355 ppm2 4.047
ASSI { 1765}
(( segid " A" and resid 95 and name HA ))
(( segid " A" and resid 96 and name HN ))
3.724 1.862 1.862 peak 1765 weight 1.00000E+00 volume -7.71282E+03 ppm1 8.355 ppm2 4.616
ASSI { 1766}
(( segid " A" and resid 97 and name HN ))
(( segid " A" and resid 96 and name HN ))
4.268 2.134 2.134 peak 1766 weight 1.00000E+00 volume -1.16840E+05 ppm1 8.351 ppm2 7.874
ASSI { 1767}
(( segid " A" and resid 99 and name HN ))
(( segid " A" and resid 97 and name HN ))
4.765 2.383 2.383 peak 1767 weight 1.00000E+00 volume -6.03069E+04 ppm1 7.874 ppm2 7.225
ASSI { 1768}
(( segid " A" and resid 97 and name HN ))
(( segid " A" and resid 95 and name HA ))
3.439 1.719 1.720 peak 1768 weight 1.00000E+00 volume -4.26625E+05 ppm1 7.874 ppm2 4.618
ASSI { 1769}
(( segid " A" and resid 97 and name HN ))
(( segid " A" and resid 96 and name HA ))
2.779 1.059 1.390 peak 1769 weight 1.00000E+00 volume -1.12406E+05 ppm1 7.875 ppm2 4.282
ASSI { 1770}
(( segid " A" and resid 97 and name HN ))
( segid " A" and resid 93 and name HD1#)
4.963 2.482 2.482 peak 1770 weight 1.00000E+00 volume -8.66407E+03 ppm1 7.873 ppm2 0.547
ASSI { 1772}
(( segid " A" and resid 98 and name HN ))
(( segid " A" and resid 99 and name HB2 ))
4.066 2.033 2.033 peak 1772 weight 1.00000E+00 volume -6.45222E+03 ppm1 7.430 ppm2 1.765
ASSI { 1773}
(( segid " A" and resid 98 and name HN ))
(( segid " A" and resid 96 and name HB2 ))
7.583 3.792 0.417 peak 1773 weight 1.00000E+00 volume 3.45689E+03 ppm1 7.435 ppm2 2.462
ASSI { 1774}
(( segid " A" and resid 98 and name HN ))
(( segid " A" and resid 97 and name HA ))
3.209 1.489 1.605 peak 1774 weight 1.00000E+00 volume -4.86586E+04 ppm1 7.423 ppm2 4.274
ASSI { 1775}
(( segid " A" and resid 98 and name HN ))
(( segid " A" and resid 95 and name HA ))
4.275 2.138 2.138 peak 1775 weight 1.00000E+00 volume -1.15645E+05 ppm1 7.421 ppm2 4.659
ASSI { 1776}
(( segid " A" and resid 99 and name HN ))
(( segid " A" and resid 101 and name HN ))
6.488 3.244 1.512 peak 1776 weight 1.00000E+00 volume 9.46424E+03 ppm1 7.238 ppm2 8.909
ASSI { 1778}
(( segid " A" and resid 99 and name HN ))
(( segid " A" and resid 102 and name HN ))
4.658 2.329 2.329 peak 1778 weight 1.00000E+00 volume 6.50802E+03 ppm1 7.215 ppm2 7.929
ASSI { 1779}
(( segid " A" and resid 99 and name HN ))
(( segid " A" and resid 97 and name HN ))
7.472 3.736 0.528 peak 1779 weight 1.00000E+00 volume -1.20094E+02 ppm1 7.217 ppm2 7.881
ASSI { 1780}
(( segid " A" and resid 99 and name HN ))
(( segid " A" and resid 95 and name HA ))
3.466 1.733 1.733 peak 1780 weight 1.00000E+00 volume -4.07635E+05 ppm1 7.222 ppm2 4.641
ASSI { 1781}
(( segid " A" and resid 99 and name HN ))
(( segid " A" and resid 96 and name HA ))
3.470 1.735 1.735 peak 1781 weight 1.00000E+00 volume -4.04734E+05 ppm1 7.220 ppm2 4.292
ASSI { 1782}
(( segid " A" and resid 99 and name HN ))
(( segid " A" and resid 97 and name HA ))
3.470 1.735 1.735 peak 1782 weight 1.00000E+00 volume -4.04734E+05 ppm1 7.220 ppm2 4.274
ASSI { 1783}
(( segid " A" and resid 99 and name HN ))
(( segid " A" and resid 95 and name HB2 ))
4.959 2.479 2.479 peak 1783 weight 1.00000E+00 volume 4.74920E+04 ppm1 7.211 ppm2 4.040
ASSI { 1785}
(( segid " A" and resid 99 and name HN ))
(( segid " A" and resid 98 and name HB2 ))
3.103 1.383 1.551 peak 1785 weight 1.00000E+00 volume -7.91311E+05 ppm1 7.219 ppm2 1.600
ASSI { 1787}
(( segid " A" and resid 99 and name HN ))
( segid " A" and resid 102 and name HD1#)
3.328 1.608 1.664 peak 1787 weight 1.00000E+00 volume -3.74297E+04 ppm1 7.224 ppm2 0.692
ASSI { 1788}
(( segid " A" and resid 99 and name HG2 ))
(( segid " A" and resid 100 and name HN ))
4.136 2.068 2.068 peak 1788 weight 1.00000E+00 volume -1.41092E+05 ppm1 8.551 ppm2 1.401
ASSI { 1789}
(( segid " A" and resid 99 and name HB2 ))
(( segid " A" and resid 100 and name HN ))
3.873 1.936 1.936 peak 1789 weight 1.00000E+00 volume -2.09340E+05 ppm1 8.554 ppm2 1.790
ASSI { 1790}
(( segid " A" and resid 100 and name HN ))
(( segid " A" and resid 100 and name HB2 ))
3.497 1.748 1.748 peak 1790 weight 1.00000E+00 volume -2.10712E+04 ppm1 8.549 ppm2 1.915
ASSI { 1791}
(( segid " A" and resid 99 and name HA ))
(( segid " A" and resid 100 and name HN ))
4.124 2.062 2.062 peak 1791 weight 1.00000E+00 volume -1.43615E+05 ppm1 8.557 ppm2 3.849
ASSI { 1792}
(( segid " A" and resid 100 and name HA ))
(( segid " A" and resid 100 and name HN ))
3.947 1.973 1.973 peak 1792 weight 1.00000E+00 volume -1.09469E+04 ppm1 8.550 ppm2 3.998
ASSI { 1793}
(( segid " A" and resid 97 and name HA ))
(( segid " A" and resid 100 and name HN ))
4.724 2.362 2.362 peak 1793 weight 1.00000E+00 volume -5.74962E+03 ppm1 8.552 ppm2 4.269
ASSI { 1794}
(( segid " A" and resid 96 and name HA ))
(( segid " A" and resid 100 and name HN ))
4.724 2.362 2.362 peak 1794 weight 1.00000E+00 volume -5.74962E+03 ppm1 8.552 ppm2 4.280
ASSI { 1795}
(( segid " A" and resid 98 and name HA ))
(( segid " A" and resid 100 and name HN ))
3.604 1.802 1.802 peak 1795 weight 1.00000E+00 volume -1.36263E+04 ppm1 8.548 ppm2 4.833
ASSI { 1796}
(( segid " A" and resid 99 and name HN ))
(( segid " A" and resid 100 and name HN ))
4.579 2.290 2.290 peak 1796 weight 1.00000E+00 volume -6.46764E+03 ppm1 8.546 ppm2 7.220
ASSI { 1797}
(( segid " A" and resid 98 and name HN ))
(( segid " A" and resid 100 and name HN ))
4.500 2.250 2.250 peak 1797 weight 1.00000E+00 volume -7.54536E+03 ppm1 8.560 ppm2 7.418
ASSI { 1798}
(( segid " A" and resid 101 and name HN ))
(( segid " A" and resid 100 and name HN ))
4.450 2.225 2.225 peak 1798 weight 1.00000E+00 volume -8.79336E+03 ppm1 8.554 ppm2 8.900
ASSI { 1799}
(( segid " A" and resid 101 and name HN ))
(( segid " A" and resid 100 and name HN ))
4.756 2.378 2.378 peak 1799 weight 1.00000E+00 volume 6.82720E+03 ppm1 8.898 ppm2 8.574
ASSI { 1800}
(( segid " A" and resid 103 and name HN ))
(( segid " A" and resid 101 and name HN ))
4.737 2.369 2.369 peak 1800 weight 1.00000E+00 volume -1.00145E+04 ppm1 8.905 ppm2 7.318
ASSI { 1801}
(( segid " A" and resid 99 and name HN ))
(( segid " A" and resid 101 and name HN ))
4.625 2.313 2.313 peak 1801 weight 1.00000E+00 volume -8.92090E+03 ppm1 8.904 ppm2 7.225
ASSI { 1802}
(( segid " A" and resid 101 and name HN ))
(( segid " A" and resid 98 and name HA ))
3.998 1.999 1.999 peak 1802 weight 1.00000E+00 volume -1.30281E+04 ppm1 8.908 ppm2 4.834
ASSI { 1804}
(( segid " A" and resid 101 and name HA ))
(( segid " A" and resid 101 and name HN ))
3.049 1.329 1.524 peak 1804 weight 1.00000E+00 volume -5.42656E+04 ppm1 8.907 ppm2 3.963
ASSI { 1805}
(( segid " A" and resid 101 and name HN ))
(( segid " A" and resid 99 and name HA ))
3.971 1.986 1.986 peak 1805 weight 1.00000E+00 volume -1.80002E+05 ppm1 8.906 ppm2 3.848
ASSI { 1806}
(( segid " A" and resid 102 and name HA ))
(( segid " A" and resid 101 and name HN ))
3.887 1.943 1.943 peak 1806 weight 1.00000E+00 volume -2.04865E+05 ppm1 8.905 ppm2 3.812
ASSI { 1807}
(( segid " A" and resid 101 and name HN ))
(( segid " A" and resid 101 and name HB2 ))
2.975 1.255 1.487 peak 1807 weight 1.00000E+00 volume -6.42181E+04 ppm1 8.909 ppm2 2.246
ASSI { 1808}
(( segid " A" and resid 101 and name HN ))
(( segid " A" and resid 101 and name HB1 ))
3.004 1.284 1.502 peak 1808 weight 1.00000E+00 volume -5.74787E+04 ppm1 8.905 ppm2 2.069
ASSI { 1809}
(( segid " A" and resid 101 and name HN ))
(( segid " A" and resid 100 and name HB2 ))
2.932 1.212 1.466 peak 1809 weight 1.00000E+00 volume -5.26748E+04 ppm1 8.907 ppm2 1.912
ASSI { 1810}
(( segid " A" and resid 101 and name HN ))
(( segid " A" and resid 99 and name HB2 ))
3.455 1.728 1.728 peak 1810 weight 1.00000E+00 volume -1.21494E+04 ppm1 8.906 ppm2 1.791
ASSI { 1812}
(( segid " A" and resid 101 and name HN ))
( segid " A" and resid 98 and name HD1#)
3.590 1.795 1.795 peak 1812 weight 1.00000E+00 volume -1.82793E+04 ppm1 8.903 ppm2 0.668
ASSI { 1813}
(( segid " A" and resid 102 and name HN ))
( segid " A" and resid 98 and name HD1#)
3.185 1.465 1.593 peak 1813 weight 1.00000E+00 volume -6.75996E+05 ppm1 7.928 ppm2 0.666
ASSI { 1814}
(( segid " A" and resid 102 and name HN ))
(( segid " A" and resid 100 and name HB2 ))
5.020 2.510 2.510 peak 1814 weight 1.00000E+00 volume -4.41339E+04 ppm1 7.925 ppm2 1.909
ASSI { 1815}
(( segid " A" and resid 102 and name HN ))
(( segid " A" and resid 101 and name HB1 ))
3.521 1.761 1.761 peak 1815 weight 1.00000E+00 volume -3.70607E+05 ppm1 7.926 ppm2 2.067
ASSI { 1816}
(( segid " A" and resid 102 and name HN ))
(( segid " A" and resid 101 and name HB2 ))
4.984 2.492 2.492 peak 1816 weight 1.00000E+00 volume -4.60770E+04 ppm1 7.926 ppm2 2.245
ASSI { 1817}
(( segid " A" and resid 102 and name HN ))
(( segid " A" and resid 103 and name HB2 ))
4.005 2.002 2.002 peak 1817 weight 1.00000E+00 volume -1.71203E+05 ppm1 7.928 ppm2 2.889
ASSI { 1818}
(( segid " A" and resid 102 and name HN ))
(( segid " A" and resid 99 and name HA ))
3.064 1.344 1.532 peak 1818 weight 1.00000E+00 volume -8.54063E+05 ppm1 7.927 ppm2 3.850
ASSI { 1819}
(( segid " A" and resid 101 and name HA ))
(( segid " A" and resid 102 and name HN ))
3.529 1.765 1.765 peak 1819 weight 1.00000E+00 volume -3.65552E+05 ppm1 7.926 ppm2 3.963
ASSI { 1820}
(( segid " A" and resid 102 and name HN ))
(( segid " A" and resid 100 and name HA ))
3.608 1.804 1.804 peak 1820 weight 1.00000E+00 volume -1.74102E+04 ppm1 7.926 ppm2 3.995
ASSI { 1821}
(( segid " A" and resid 102 and name HN ))
(( segid " A" and resid 98 and name HA ))
3.491 1.746 1.746 peak 1821 weight 1.00000E+00 volume -1.14659E+04 ppm1 7.931 ppm2 4.826
ASSI { 1822}
(( segid " A" and resid 99 and name HN ))
(( segid " A" and resid 102 and name HN ))
4.197 2.099 2.099 peak 1822 weight 1.00000E+00 volume -1.29215E+05 ppm1 7.945 ppm2 7.224
ASSI { 1823}
(( segid " A" and resid 103 and name HN ))
(( segid " A" and resid 101 and name HN ))
8.000 4.000 0.000 peak 1823 weight 1.00000E+00 volume -1.14891E+03 ppm1 7.324 ppm2 8.911
ASSI { 1824}
(( segid " A" and resid 104 and name HN ))
(( segid " A" and resid 103 and name HN ))
2.459 0.739 1.229 peak 1824 weight 1.00000E+00 volume -1.98001E+05 ppm1 7.316 ppm2 7.331
ASSI { 1825}
(( segid " A" and resid 103 and name HN ))
(( segid " A" and resid 100 and name HA ))
2.987 1.267 1.494 peak 1825 weight 1.00000E+00 volume -9.93663E+05 ppm1 7.316 ppm2 3.993
ASSI { 1826}
(( segid " A" and resid 101 and name HA ))
(( segid " A" and resid 103 and name HN ))
3.407 1.687 1.704 peak 1826 weight 1.00000E+00 volume -4.51305E+05 ppm1 7.312 ppm2 3.965
ASSI { 1827}
(( segid " A" and resid 102 and name HA ))
(( segid " A" and resid 103 and name HN ))
3.676 1.838 1.838 peak 1827 weight 1.00000E+00 volume -2.86233E+05 ppm1 7.317 ppm2 3.812
ASSI { 1828}
(( segid " A" and resid 103 and name HN ))
(( segid " A" and resid 102 and name HB2 ))
4.134 2.067 2.067 peak 1828 weight 1.00000E+00 volume -5.38878E+03 ppm1 7.310 ppm2 1.531
ASSI { 1829}
(( segid " A" and resid 103 and name HN ))
( segid " A" and resid 102 and name HD1#)
5.771 2.885 2.229 peak 1829 weight 1.00000E+00 volume -8.84057E+03 ppm1 7.314 ppm2 0.709
ASSI { 1830}
(( segid " A" and resid 104 and name HN ))
( segid " A" and resid 102 and name HD1#)
4.498 2.249 2.249 peak 1830 weight 1.00000E+00 volume -7.46222E+03 ppm1 7.333 ppm2 0.701
ASSI { 1831}
( segid " A" and resid 131 and name HD1#)
(( segid " A" and resid 104 and name HN ))
3.947 1.974 1.974 peak 1831 weight 1.00000E+00 volume -6.57498E+03 ppm1 7.337 ppm2 0.800
ASSI { 1832}
( segid " A" and resid 156 and name HG2#)
(( segid " A" and resid 104 and name HN ))
2.968 1.248 1.484 peak 1832 weight 1.00000E+00 volume -3.70528E+04 ppm1 7.326 ppm2 1.168
ASSI { 1834}
(( segid " A" and resid 158 and name HB2 ))
(( segid " A" and resid 104 and name HN ))
7.452 3.726 0.548 peak 1834 weight 1.00000E+00 volume 3.02892E+03 ppm1 7.332 ppm2 3.078
ASSI { 1835}
(( segid " A" and resid 104 and name HN ))
(( segid " A" and resid 104 and name HB2 ))
4.067 2.033 2.033 peak 1835 weight 1.00000E+00 volume -1.16698E+04 ppm1 7.326 ppm2 3.159
ASSI { 1836}
(( segid " A" and resid 104 and name HN ))
(( segid " A" and resid 156 and name HB ))
4.568 2.284 2.284 peak 1836 weight 1.00000E+00 volume -2.96088E+03 ppm1 7.330 ppm2 3.815
ASSI { 1838}
(( segid " A" and resid 104 and name HN ))
(( segid " A" and resid 103 and name HA ))
3.299 1.579 1.649 peak 1838 weight 1.00000E+00 volume -2.26446E+04 ppm1 7.323 ppm2 4.012
ASSI { 1839}
(( segid " A" and resid 156 and name HA ))
(( segid " A" and resid 104 and name HN ))
5.594 2.797 2.406 peak 1839 weight 1.00000E+00 volume -2.30390E+04 ppm1 7.322 ppm2 4.477
ASSI { 1840}
(( segid " A" and resid 104 and name HN ))
(( segid " A" and resid 103 and name HN ))
2.411 0.691 1.206 peak 1840 weight 1.00000E+00 volume -3.59452E+06 ppm1 7.330 ppm2 7.308
ASSI { 1842}
(( segid " A" and resid 106 and name HN ))
(( segid " A" and resid 105 and name HN ))
4.334 2.167 2.167 peak 1842 weight 1.00000E+00 volume -6.17344E+03 ppm1 6.712 ppm2 7.127
ASSI { 1843}
(( segid " A" and resid 105 and name HN ))
(( segid " A" and resid 104 and name HA ))
4.145 2.073 2.073 peak 1843 weight 1.00000E+00 volume -1.01916E+04 ppm1 6.702 ppm2 4.715
ASSI { 1844}
(( segid " A" and resid 105 and name HN ))
(( segid " A" and resid 103 and name HA ))
4.132 2.066 2.066 peak 1844 weight 1.00000E+00 volume -1.53338E+04 ppm1 6.713 ppm2 3.990
ASSI { 1845}
(( segid " A" and resid 105 and name HN ))
(( segid " A" and resid 104 and name HB2 ))
3.850 1.925 1.925 peak 1845 weight 1.00000E+00 volume -1.63570E+04 ppm1 6.710 ppm2 3.163
ASSI { 1846}
(( segid " A" and resid 105 and name HN ))
(( segid " A" and resid 102 and name HB2 ))
4.686 2.343 2.343 peak 1846 weight 1.00000E+00 volume 2.57874E+03 ppm1 6.710 ppm2 1.490
ASSI { 1847}
( segid " A" and resid 156 and name HG2#)
(( segid " A" and resid 105 and name HN ))
2.789 1.069 1.395 peak 1847 weight 1.00000E+00 volume -1.49923E+06 ppm1 6.715 ppm2 1.165
ASSI { 1848}
( segid " A" and resid 131 and name HD1#)
(( segid " A" and resid 105 and name HN ))
3.795 1.898 1.898 peak 1848 weight 1.00000E+00 volume -2.36349E+05 ppm1 6.712 ppm2 0.837
ASSI { 1849}
(( segid " A" and resid 105 and name HN ))
( segid " A" and resid 102 and name HD1#)
6.252 3.126 1.748 peak 1849 weight 1.00000E+00 volume -1.18217E+04 ppm1 6.714 ppm2 0.688
ASSI { 1850}
( segid " A" and resid 129 and name HG2#)
(( segid " A" and resid 106 and name HN ))
4.172 2.086 2.086 peak 1850 weight 1.00000E+00 volume -1.33915E+05 ppm1 7.114 ppm2 0.700
ASSI { 1851}
( segid " A" and resid 129 and name HG1#)
(( segid " A" and resid 106 and name HN ))
3.708 1.854 1.854 peak 1851 weight 1.00000E+00 volume -2.71787E+05 ppm1 7.125 ppm2 0.903
ASSI { 1852}
(( segid " A" and resid 106 and name HN ))
(( segid " A" and resid 105 and name HB2 ))
3.777 1.888 1.888 peak 1852 weight 1.00000E+00 volume -2.43312E+05 ppm1 7.129 ppm2 1.217
ASSI { 1853}
(( segid " A" and resid 109 and name HB1 ))
(( segid " A" and resid 106 and name HN ))
3.929 1.964 1.964 peak 1853 weight 1.00000E+00 volume -1.92074E+05 ppm1 7.129 ppm2 2.117
ASSI { 1855}
(( segid " A" and resid 106 and name HN ))
(( segid " A" and resid 105 and name HN ))
4.259 2.129 2.129 peak 1855 weight 1.00000E+00 volume -9.97852E+03 ppm1 7.127 ppm2 6.719
ASSI { 1857}
(( segid " A" and resid 107 and name HN ))
(( segid " A" and resid 106 and name HN ))
8.000 4.000 0.000 peak 1857 weight 1.00000E+00 volume -6.01779E+03 ppm1 7.121 ppm2 9.064
ASSI { 1859}
(( segid " A" and resid 107 and name HN ))
(( segid " A" and resid 106 and name HN ))
6.195 3.098 1.805 peak 1859 weight 1.00000E+00 volume -1.24898E+04 ppm1 9.088 ppm2 7.130
ASSI { 1860}
(( segid " A" and resid 107 and name HN ))
(( segid " A" and resid 106 and name HA ))
2.587 0.867 1.293 peak 1860 weight 1.00000E+00 volume -2.35794E+06 ppm1 9.090 ppm2 4.647
ASSI { 1861}
(( segid " A" and resid 108 and name HN ))
(( segid " A" and resid 71 and name HG2 ))
3.561 1.780 1.780 peak 1861 weight 1.00000E+00 volume -1.47323E+04 ppm1 9.107 ppm2 2.210
ASSI { 1862}
(( segid " A" and resid 108 and name HN ))
(( segid " A" and resid 109 and name HB2 ))
4.590 2.295 2.295 peak 1862 weight 1.00000E+00 volume -7.28420E+03 ppm1 9.100 ppm2 2.342
ASSI { 1863}
(( segid " A" and resid 108 and name HN ))
(( segid " A" and resid 72 and name HB2 ))
4.263 2.131 2.131 peak 1863 weight 1.00000E+00 volume -1.17669E+05 ppm1 9.119 ppm2 2.730
ASSI { 1864}
(( segid " A" and resid 108 and name HN ))
(( segid " A" and resid 73 and name HA ))
3.872 1.936 1.936 peak 1864 weight 1.00000E+00 volume -2.09433E+05 ppm1 9.108 ppm2 4.229
ASSI { 1865}
(( segid " A" and resid 108 and name HN ))
(( segid " A" and resid 108 and name HA2 ))
2.988 1.268 1.494 peak 1865 weight 1.00000E+00 volume -9.91553E+05 ppm1 9.104 ppm2 4.414
ASSI { 1869}
(( segid " A" and resid 72 and name HN ))
(( segid " A" and resid 109 and name HN ))
2.852 1.132 1.426 peak 1869 weight 1.00000E+00 volume -8.51737E+04 ppm1 8.111 ppm2 9.129
ASSI { 1870}
(( segid " A" and resid 109 and name HN ))
(( segid " A" and resid 72 and name HB2 ))
3.247 1.527 1.624 peak 1870 weight 1.00000E+00 volume -2.82978E+04 ppm1 8.115 ppm2 2.719
ASSI { 1872}
(( segid " A" and resid 109 and name HN ))
(( segid " A" and resid 107 and name HB2 ))
4.136 2.068 2.068 peak 1872 weight 1.00000E+00 volume -6.66462E+03 ppm1 8.105 ppm2 1.898
ASSI { 1873}
(( segid " A" and resid 109 and name HN ))
(( segid " A" and resid 106 and name HB2 ))
4.868 2.434 2.434 peak 1873 weight 1.00000E+00 volume -1.95100E+03 ppm1 8.117 ppm2 1.697
ASSI { 1875}
(( segid " A" and resid 110 and name HN ))
(( segid " A" and resid 71 and name HG2 ))
3.261 1.541 1.630 peak 1875 weight 1.00000E+00 volume -5.87610E+05 ppm1 8.528 ppm2 2.213
ASSI { 1876}
(( segid " A" and resid 110 and name HN ))
(( segid " A" and resid 71 and name HA ))
3.532 1.766 1.766 peak 1876 weight 1.00000E+00 volume -1.46702E+04 ppm1 8.532 ppm2 5.209
ASSI { 1877}
(( segid " A" and resid 110 and name HN ))
(( segid " A" and resid 109 and name HN ))
4.474 2.237 2.237 peak 1877 weight 1.00000E+00 volume -1.00389E+04 ppm1 8.529 ppm2 8.115
ASSI { 1878}
(( segid " A" and resid 111 and name HN ))
(( segid " A" and resid 110 and name HN ))
3.811 1.906 1.906 peak 1878 weight 1.00000E+00 volume -1.86570E+04 ppm1 8.528 ppm2 9.066
ASSI { 1881}
(( segid " A" and resid 111 and name HN ))
(( segid " A" and resid 110 and name HN ))
7.553 3.776 0.447 peak 1881 weight 1.00000E+00 volume 3.80464E+03 ppm1 9.067 ppm2 8.532
ASSI { 1882}
(( segid " A" and resid 111 and name HN ))
(( segid " A" and resid 71 and name HA ))
2.903 1.183 1.451 peak 1882 weight 1.00000E+00 volume -1.18040E+06 ppm1 9.067 ppm2 5.211
ASSI { 1885}
(( segid " A" and resid 111 and name HN ))
(( segid " A" and resid 109 and name HG2 ))
5.080 2.540 2.540 peak 1885 weight 1.00000E+00 volume -4.11041E+04 ppm1 9.059 ppm2 2.647
ASSI { 1886}
(( segid " A" and resid 111 and name HN ))
(( segid " A" and resid 71 and name HG2 ))
3.845 1.922 1.922 peak 1886 weight 1.00000E+00 volume -2.18605E+05 ppm1 9.064 ppm2 2.212
ASSI { 1887}
(( segid " A" and resid 111 and name HN ))
(( segid " A" and resid 110 and name HB2 ))
2.956 1.236 1.478 peak 1887 weight 1.00000E+00 volume -1.05842E+06 ppm1 9.061 ppm2 1.999
ASSI { 1888}
(( segid " A" and resid 111 and name HN ))
(( segid " A" and resid 70 and name HB1 ))
4.396 2.198 2.198 peak 1888 weight 1.00000E+00 volume -1.74149E+03 ppm1 9.061 ppm2 1.799
ASSI { 1889}
(( segid " A" and resid 111 and name HN ))
(( segid " A" and resid 70 and name HB2 ))
4.027 2.014 2.014 peak 1889 weight 1.00000E+00 volume -1.65571E+05 ppm1 9.066 ppm2 1.614
ASSI { 1890}
(( segid " A" and resid 112 and name HN ))
(( segid " A" and resid 111 and name HB ))
2.604 0.884 1.302 peak 1890 weight 1.00000E+00 volume -2.26387E+06 ppm1 8.056 ppm2 2.036
ASSI { 1891}
(( segid " A" and resid 112 and name HN ))
(( segid " A" and resid 113 and name HA ))
8.000 4.000 0.000 peak 1891 weight 1.00000E+00 volume -1.29926E+04 ppm1 8.051 ppm2 4.429
ASSI { 1892}
(( segid " A" and resid 112 and name HN ))
(( segid " A" and resid 124 and name HA ))
3.666 1.833 1.833 peak 1892 weight 1.00000E+00 volume -1.67295E+04 ppm1 8.056 ppm2 4.603
ASSI { 1893}
(( segid " A" and resid 111 and name HN ))
(( segid " A" and resid 112 and name HN ))
3.794 1.897 1.897 peak 1893 weight 1.00000E+00 volume -2.36628E+05 ppm1 8.053 ppm2 9.066
ASSI { 1894}
(( segid " A" and resid 113 and name HN ))
(( segid " A" and resid 112 and name HN ))
3.794 1.897 1.897 peak 1894 weight 1.00000E+00 volume -2.36628E+05 ppm1 8.054 ppm2 9.077
ASSI { 1895}
(( segid " A" and resid 113 and name HN ))
(( segid " A" and resid 124 and name HN ))
3.304 1.584 1.652 peak 1895 weight 1.00000E+00 volume -5.43005E+05 ppm1 9.072 ppm2 9.197
ASSI { 1896}
(( segid " A" and resid 113 and name HN ))
(( segid " A" and resid 70 and name HN ))
3.370 1.650 1.685 peak 1896 weight 1.00000E+00 volume -2.25374E+04 ppm1 9.073 ppm2 8.920
ASSI { 1897}
(( segid " A" and resid 113 and name HN ))
(( segid " A" and resid 69 and name HN ))
3.968 1.984 1.984 peak 1897 weight 1.00000E+00 volume -1.46499E+04 ppm1 9.074 ppm2 8.709
ASSI { 1898}
(( segid " A" and resid 113 and name HN ))
(( segid " A" and resid 114 and name HN ))
4.854 2.427 2.427 peak 1898 weight 1.00000E+00 volume -1.32424E+04 ppm1 9.073 ppm2 8.493
ASSI { 1899}
(( segid " A" and resid 113 and name HN ))
(( segid " A" and resid 112 and name HN ))
5.406 2.703 2.594 peak 1899 weight 1.00000E+00 volume 6.37429E+03 ppm1 9.082 ppm2 8.042
ASSI { 1900}
(( segid " A" and resid 113 and name HN ))
(( segid " A" and resid 67 and name HA ))
3.826 1.913 1.913 peak 1900 weight 1.00000E+00 volume -2.24983E+05 ppm1 9.073 ppm2 5.343
ASSI { 1901}
(( segid " A" and resid 113 and name HN ))
(( segid " A" and resid 69 and name HA ))
3.150 1.430 1.575 peak 1901 weight 1.00000E+00 volume -7.22411E+05 ppm1 9.072 ppm2 4.694
ASSI { 1902}
(( segid " A" and resid 113 and name HN ))
(( segid " A" and resid 68 and name HA ))
4.123 2.062 2.062 peak 1902 weight 1.00000E+00 volume -1.43702E+05 ppm1 9.072 ppm2 4.624
ASSI { 1903}
(( segid " A" and resid 113 and name HN ))
(( segid " A" and resid 68 and name HB2 ))
3.162 1.442 1.581 peak 1903 weight 1.00000E+00 volume -7.05950E+05 ppm1 9.074 ppm2 1.801
ASSI { 1906}
(( segid " A" and resid 114 and name HN ))
( segid " A" and resid 123 and name HG1#)
3.448 1.724 1.724 peak 1906 weight 1.00000E+00 volume -2.61550E+04 ppm1 8.494 ppm2 0.550
ASSI { 1907}
(( segid " A" and resid 114 and name HN ))
( segid " A" and resid 115 and name HG2#)
3.552 1.776 1.776 peak 1907 weight 1.00000E+00 volume -2.30231E+04 ppm1 8.494 ppm2 0.906
ASSI { 1909}
(( segid " A" and resid 114 and name HN ))
(( segid " A" and resid 113 and name HB ))
3.525 1.762 1.762 peak 1909 weight 1.00000E+00 volume -3.68426E+05 ppm1 8.489 ppm2 1.658
ASSI { 1910}
(( segid " A" and resid 114 and name HN ))
(( segid " A" and resid 114 and name HB2 ))
3.951 1.975 1.975 peak 1910 weight 1.00000E+00 volume -1.85763E+05 ppm1 8.495 ppm2 2.222
ASSI { 1911}
(( segid " A" and resid 114 and name HN ))
(( segid " A" and resid 122 and name HA1 ))
3.850 1.925 1.925 peak 1911 weight 1.00000E+00 volume -1.24117E+04 ppm1 8.494 ppm2 4.094
ASSI { 1912}
(( segid " A" and resid 114 and name HN ))
(( segid " A" and resid 122 and name HA2 ))
4.013 2.006 2.006 peak 1912 weight 1.00000E+00 volume -9.30471E+03 ppm1 8.492 ppm2 4.168
ASSI { 1913}
(( segid " A" and resid 114 and name HN ))
(( segid " A" and resid 115 and name HA ))
6.084 3.042 1.916 peak 1913 weight 1.00000E+00 volume -7.00055E+03 ppm1 8.493 ppm2 5.339
ASSI { 1914}
(( segid " A" and resid 114 and name HN ))
(( segid " A" and resid 122 and name HN ))
5.265 2.633 2.633 peak 1914 weight 1.00000E+00 volume -3.31418E+04 ppm1 8.499 ppm2 7.415
ASSI { 1915}
(( segid " A" and resid 114 and name HN ))
(( segid " A" and resid 123 and name HN ))
5.231 2.616 2.616 peak 1915 weight 1.00000E+00 volume 3.44534E+04 ppm1 8.496 ppm2 8.328
ASSI { 1916}
(( segid " A" and resid 115 and name HN ))
(( segid " A" and resid 114 and name HN ))
4.503 2.251 2.251 peak 1916 weight 1.00000E+00 volume -8.47598E+04 ppm1 8.498 ppm2 8.940
ASSI { 1917}
(( segid " A" and resid 114 and name HN ))
(( segid " A" and resid 121 and name HN ))
4.337 2.168 2.168 peak 1917 weight 1.00000E+00 volume -1.06147E+05 ppm1 8.495 ppm2 8.979
ASSI { 1918}
(( segid " A" and resid 113 and name HN ))
(( segid " A" and resid 114 and name HN ))
4.920 2.460 2.460 peak 1918 weight 1.00000E+00 volume -6.62834E+03 ppm1 8.494 ppm2 9.075
ASSI { 1922}
(( segid " A" and resid 115 and name HN ))
(( segid " A" and resid 114 and name HN ))
4.802 2.401 2.401 peak 1922 weight 1.00000E+00 volume -5.75776E+04 ppm1 8.936 ppm2 8.496
ASSI { 1923}
(( segid " A" and resid 115 and name HN ))
(( segid " A" and resid 67 and name HA ))
3.015 1.295 1.508 peak 1923 weight 1.00000E+00 volume -5.77568E+04 ppm1 8.940 ppm2 5.340
ASSI { 1924}
(( segid " A" and resid 115 and name HN ))
(( segid " A" and resid 120 and name HA ))
5.883 2.941 2.117 peak 1924 weight 1.00000E+00 volume -6.42217E+03 ppm1 8.934 ppm2 4.180
ASSI { 1925}
(( segid " A" and resid 115 and name HN ))
(( segid " A" and resid 115 and name HB ))
5.098 2.549 2.549 peak 1925 weight 1.00000E+00 volume -4.02084E+04 ppm1 8.940 ppm2 3.710
ASSI { 1926}
(( segid " A" and resid 115 and name HN ))
(( segid " A" and resid 114 and name HB2 ))
3.656 1.828 1.828 peak 1926 weight 1.00000E+00 volume -2.31739E+04 ppm1 8.940 ppm2 2.218
ASSI { 1928}
(( segid " A" and resid 115 and name HN ))
(( segid " A" and resid 113 and name HB ))
5.267 2.634 2.634 peak 1928 weight 1.00000E+00 volume -6.56679E+03 ppm1 8.928 ppm2 1.654
ASSI { 1929}
(( segid " A" and resid 115 and name HN ))
(( segid " A" and resid 68 and name HG2 ))
4.083 2.041 2.041 peak 1929 weight 1.00000E+00 volume -1.52476E+05 ppm1 8.932 ppm2 1.603
ASSI { 1931}
(( segid " A" and resid 116 and name HN ))
( segid " A" and resid 121 and name HG2#)
3.125 1.405 1.563 peak 1931 weight 1.00000E+00 volume -7.58053E+05 ppm1 8.855 ppm2 0.943
ASSI { 1932}
(( segid " A" and resid 116 and name HN ))
(( segid " A" and resid 121 and name HB ))
4.152 2.076 2.076 peak 1932 weight 1.00000E+00 volume -1.37888E+05 ppm1 8.860 ppm2 1.915
ASSI { 1933}
(( segid " A" and resid 116 and name HN ))
(( segid " A" and resid 119 and name HB2 ))
4.710 2.355 2.355 peak 1933 weight 1.00000E+00 volume -6.47028E+04 ppm1 8.860 ppm2 1.970
ASSI { 1934}
(( segid " A" and resid 116 and name HN ))
(( segid " A" and resid 119 and name HB1 ))
3.908 1.954 1.954 peak 1934 weight 1.00000E+00 volume -1.98365E+05 ppm1 8.850 ppm2 2.131
ASSI { 1935}
(( segid " A" and resid 116 and name HN ))
(( segid " A" and resid 121 and name HA ))
4.208 2.104 2.104 peak 1935 weight 1.00000E+00 volume -1.27179E+05 ppm1 8.854 ppm2 4.576
ASSI { 1936}
(( segid " A" and resid 122 and name HN ))
(( segid " A" and resid 116 and name HN ))
8.000 4.000 0.000 peak 1936 weight 1.00000E+00 volume 2.00420E+03 ppm1 8.845 ppm2 7.420
ASSI { 1937}
(( segid " A" and resid 116 and name HN ))
(( segid " A" and resid 120 and name HN ))
3.441 1.721 1.721 peak 1937 weight 1.00000E+00 volume -4.25305E+05 ppm1 8.854 ppm2 8.737
ASSI { 1939}
(( segid " A" and resid 115 and name HN ))
(( segid " A" and resid 116 and name HN ))
3.006 1.286 1.503 peak 1939 weight 1.00000E+00 volume -4.09464E+04 ppm1 8.852 ppm2 8.945
ASSI { 1940}
(( segid " A" and resid 121 and name HN ))
(( segid " A" and resid 116 and name HN ))
2.985 1.265 1.493 peak 1940 weight 1.00000E+00 volume -9.98123E+05 ppm1 8.855 ppm2 8.977
ASSI { 1947}
(( segid " A" and resid 118 and name HN ))
(( segid " A" and resid 116 and name HA ))
3.509 1.754 1.754 peak 1947 weight 1.00000E+00 volume -1.18611E+04 ppm1 8.466 ppm2 4.900
ASSI { 1948}
(( segid " A" and resid 118 and name HN ))
(( segid " A" and resid 115 and name HA ))
4.161 2.081 2.081 peak 1948 weight 1.00000E+00 volume -3.95075E+03 ppm1 8.468 ppm2 5.340
ASSI { 1949}
(( segid " A" and resid 119 and name HN ))
(( segid " A" and resid 118 and name HN ))
4.207 2.103 2.103 peak 1949 weight 1.00000E+00 volume -8.85024E+03 ppm1 8.471 ppm2 7.954
ASSI { 1950}
(( segid " A" and resid 66 and name HN ))
(( segid " A" and resid 118 and name HN ))
4.836 2.418 2.418 peak 1950 weight 1.00000E+00 volume -6.35603E+03 ppm1 8.491 ppm2 8.780
ASSI { 1951}
(( segid " A" and resid 116 and name HN ))
(( segid " A" and resid 118 and name HN ))
5.073 2.537 2.537 peak 1951 weight 1.00000E+00 volume -3.45632E+03 ppm1 8.498 ppm2 8.858
ASSI { 1956}
(( segid " A" and resid 119 and name HB1 ))
(( segid " A" and resid 120 and name HN ))
4.734 2.367 2.367 peak 1956 weight 1.00000E+00 volume 1.69066E+03 ppm1 8.737 ppm2 2.130
ASSI { 1957}
(( segid " A" and resid 120 and name HA ))
(( segid " A" and resid 120 and name HN ))
4.761 2.381 2.381 peak 1957 weight 1.00000E+00 volume -7.02516E+03 ppm1 8.750 ppm2 4.149
ASSI { 1958}
(( segid " A" and resid 119 and name HA ))
(( segid " A" and resid 120 and name HN ))
4.039 2.019 2.019 peak 1958 weight 1.00000E+00 volume -1.62707E+05 ppm1 8.728 ppm2 4.568
ASSI { 1959}
(( segid " A" and resid 115 and name HA ))
(( segid " A" and resid 120 and name HN ))
3.604 1.802 1.802 peak 1959 weight 1.00000E+00 volume -3.22137E+05 ppm1 8.736 ppm2 5.339
ASSI { 1960}
(( segid " A" and resid 116 and name HN ))
(( segid " A" and resid 120 and name HN ))
3.833 1.916 1.916 peak 1960 weight 1.00000E+00 volume -2.22730E+05 ppm1 8.738 ppm2 8.851
ASSI { 1961}
(( segid " A" and resid 121 and name HN ))
(( segid " A" and resid 120 and name HN ))
3.951 1.976 1.976 peak 1961 weight 1.00000E+00 volume -1.85603E+05 ppm1 8.737 ppm2 8.976
ASSI { 1963}
(( segid " A" and resid 121 and name HN ))
(( segid " A" and resid 116 and name HN ))
3.098 1.378 1.549 peak 1963 weight 1.00000E+00 volume -7.98413E+05 ppm1 8.976 ppm2 8.857
ASSI { 1964}
(( segid " A" and resid 121 and name HN ))
(( segid " A" and resid 115 and name HA ))
3.567 1.784 1.784 peak 1964 weight 1.00000E+00 volume -3.42674E+05 ppm1 8.976 ppm2 5.338
ASSI { 1965}
(( segid " A" and resid 121 and name HN ))
(( segid " A" and resid 120 and name HA ))
3.025 1.305 1.512 peak 1965 weight 1.00000E+00 volume -9.22134E+05 ppm1 8.978 ppm2 4.158
ASSI { 1966}
(( segid " A" and resid 121 and name HN ))
(( segid " A" and resid 122 and name HA1 ))
3.309 1.589 1.654 peak 1966 weight 1.00000E+00 volume -5.38341E+05 ppm1 8.978 ppm2 4.096
ASSI { 1967}
(( segid " A" and resid 121 and name HN ))
(( segid " A" and resid 116 and name HB2 ))
4.762 2.381 2.381 peak 1967 weight 1.00000E+00 volume 6.05578E+04 ppm1 8.993 ppm2 2.896
ASSI { 1968}
(( segid " A" and resid 121 and name HN ))
( segid " A" and resid 115 and name HG2#)
2.948 1.228 1.474 peak 1968 weight 1.00000E+00 volume -1.07659E+06 ppm1 8.978 ppm2 0.908
ASSI { 1969}
(( segid " A" and resid 122 and name HN ))
( segid " A" and resid 123 and name HG1#)
3.362 1.642 1.681 peak 1969 weight 1.00000E+00 volume -4.89104E+05 ppm1 7.419 ppm2 0.559
ASSI { 1970}
(( segid " A" and resid 122 and name HN ))
( segid " A" and resid 115 and name HG2#)
2.842 1.122 1.421 peak 1970 weight 1.00000E+00 volume -1.33983E+06 ppm1 7.415 ppm2 0.910
ASSI { 1971}
(( segid " A" and resid 122 and name HN ))
(( segid " A" and resid 114 and name HB2 ))
4.786 2.393 2.393 peak 1971 weight 1.00000E+00 volume -5.87993E+04 ppm1 7.420 ppm2 2.188
ASSI { 1972}
(( segid " A" and resid 122 and name HN ))
(( segid " A" and resid 120 and name HA ))
2.691 0.971 1.346 peak 1972 weight 1.00000E+00 volume -1.12259E+05 ppm1 7.412 ppm2 4.158
ASSI { 1973}
(( segid " A" and resid 122 and name HN ))
(( segid " A" and resid 121 and name HA ))
3.503 1.752 1.752 peak 1973 weight 1.00000E+00 volume -3.82065E+05 ppm1 7.413 ppm2 4.576
ASSI { 1974}
(( segid " A" and resid 122 and name HN ))
(( segid " A" and resid 123 and name HA ))
3.842 1.921 1.921 peak 1974 weight 1.00000E+00 volume -2.12653E+04 ppm1 7.412 ppm2 4.688
ASSI { 1975}
(( segid " A" and resid 122 and name HN ))
(( segid " A" and resid 123 and name HN ))
4.478 2.239 2.239 peak 1975 weight 1.00000E+00 volume -4.81011E+03 ppm1 7.412 ppm2 8.329
ASSI { 1977}
(( segid " A" and resid 124 and name HN ))
(( segid " A" and resid 123 and name HN ))
5.396 2.698 2.604 peak 1977 weight 1.00000E+00 volume -2.86045E+04 ppm1 8.318 ppm2 9.199
ASSI { 1978}
(( segid " A" and resid 114 and name HN ))
(( segid " A" and resid 123 and name HN ))
4.256 2.128 2.128 peak 1978 weight 1.00000E+00 volume -1.18785E+05 ppm1 8.316 ppm2 8.494
ASSI { 1979}
(( segid " A" and resid 122 and name HN ))
(( segid " A" and resid 123 and name HN ))
4.310 2.155 2.155 peak 1979 weight 1.00000E+00 volume -1.10240E+05 ppm1 8.320 ppm2 7.414
ASSI { 1980}
(( segid " A" and resid 123 and name HN ))
(( segid " A" and resid 123 and name HA ))
2.633 0.913 1.316 peak 1980 weight 1.00000E+00 volume -1.48049E+05 ppm1 8.325 ppm2 4.692
ASSI { 1981}
(( segid " A" and resid 123 and name HN ))
(( segid " A" and resid 124 and name HA ))
3.127 1.407 1.564 peak 1981 weight 1.00000E+00 volume -2.81264E+04 ppm1 8.327 ppm2 4.610
ASSI { 1982}
(( segid " A" and resid 124 and name HN ))
(( segid " A" and resid 124 and name HB1 ))
2.891 1.171 1.445 peak 1982 weight 1.00000E+00 volume -6.11594E+04 ppm1 9.193 ppm2 1.791
ASSI { 1983}
(( segid " A" and resid 124 and name HN ))
(( segid " A" and resid 124 and name HB2 ))
3.130 1.410 1.565 peak 1983 weight 1.00000E+00 volume -5.54865E+04 ppm1 9.196 ppm2 2.012
ASSI { 1984}
(( segid " A" and resid 124 and name HN ))
(( segid " A" and resid 112 and name HB2 ))
3.130 1.410 1.565 peak 1984 weight 1.00000E+00 volume -7.50730E+05 ppm1 9.194 ppm2 2.019
ASSI { 1985}
(( segid " A" and resid 124 and name HN ))
(( segid " A" and resid 111 and name HB ))
3.130 1.410 1.565 peak 1985 weight 1.00000E+00 volume -7.50730E+05 ppm1 9.195 ppm2 2.034
ASSI { 1986}
(( segid " A" and resid 124 and name HN ))
(( segid " A" and resid 113 and name HA ))
3.360 1.640 1.680 peak 1986 weight 1.00000E+00 volume -4.91052E+05 ppm1 9.193 ppm2 4.429
ASSI { 1987}
(( segid " A" and resid 124 and name HN ))
(( segid " A" and resid 124 and name HA ))
2.780 1.060 1.390 peak 1987 weight 1.00000E+00 volume -5.63352E+04 ppm1 9.191 ppm2 4.604
ASSI { 1988}
(( segid " A" and resid 112 and name HN ))
(( segid " A" and resid 124 and name HN ))
4.204 2.102 2.102 peak 1988 weight 1.00000E+00 volume -1.27850E+05 ppm1 9.195 ppm2 8.054
ASSI { 1989}
(( segid " A" and resid 124 and name HN ))
(( segid " A" and resid 114 and name HN ))
4.131 2.065 2.065 peak 1989 weight 1.00000E+00 volume 5.89293E+03 ppm1 9.203 ppm2 8.498
ASSI { 1990}
(( segid " A" and resid 124 and name HN ))
(( segid " A" and resid 125 and name HN ))
3.858 1.929 1.929 peak 1990 weight 1.00000E+00 volume -1.62179E+04 ppm1 9.196 ppm2 8.810
ASSI { 1992}
(( segid " A" and resid 124 and name HN ))
(( segid " A" and resid 125 and name HN ))
5.522 2.761 2.478 peak 1992 weight 1.00000E+00 volume -2.49132E+04 ppm1 8.811 ppm2 9.201
ASSI { 1993}
(( segid " A" and resid 125 and name HN ))
(( segid " A" and resid 125 and name HA ))
3.248 1.528 1.624 peak 1993 weight 1.00000E+00 volume -6.01169E+05 ppm1 8.809 ppm2 4.512
ASSI { 1994}
(( segid " A" and resid 125 and name HN ))
(( segid " A" and resid 124 and name HB2 ))
4.014 2.007 2.007 peak 1994 weight 1.00000E+00 volume -1.68848E+05 ppm1 8.806 ppm2 2.015
ASSI { 1998}
(( segid " A" and resid 127 and name HN ))
(( segid " A" and resid 127 and name HB2 ))
4.096 2.048 2.048 peak 1998 weight 1.00000E+00 volume -1.03917E+04 ppm1 8.592 ppm2 1.840
ASSI { 2000}
(( segid " A" and resid 127 and name HN ))
(( segid " A" and resid 126 and name HA ))
3.971 1.985 1.985 peak 2000 weight 1.00000E+00 volume -9.18905E+03 ppm1 8.589 ppm2 4.519
ASSI { 2001}
(( segid " A" and resid 128 and name HN ))
(( segid " A" and resid 127 and name HN ))
4.187 2.093 2.093 peak 2001 weight 1.00000E+00 volume -8.48218E+03 ppm1 8.582 ppm2 7.462
ASSI { 2002}
(( segid " A" and resid 128 and name HN ))
(( segid " A" and resid 127 and name HN ))
4.442 2.221 2.221 peak 2002 weight 1.00000E+00 volume -5.98475E+03 ppm1 7.420 ppm2 8.588
ASSI { 2003}
(( segid " A" and resid 129 and name HN ))
(( segid " A" and resid 128 and name HN ))
3.804 1.902 1.902 peak 2003 weight 1.00000E+00 volume -2.09894E+04 ppm1 7.418 ppm2 8.527
ASSI { 2008}
(( segid " A" and resid 129 and name HN ))
( segid " A" and resid 174 and name HG2#)
3.008 1.288 1.504 peak 2008 weight 1.00000E+00 volume -5.54738E+04 ppm1 8.526 ppm2 0.716
ASSI { 2009}
(( segid " A" and resid 129 and name HN ))
( segid " A" and resid 128 and name HG2#)
2.750 1.030 1.375 peak 2009 weight 1.00000E+00 volume -9.07747E+04 ppm1 8.525 ppm2 0.965
ASSI { 2010}
(( segid " A" and resid 129 and name HN ))
(( segid " A" and resid 174 and name HB ))
3.695 1.848 1.848 peak 2010 weight 1.00000E+00 volume -2.77313E+05 ppm1 8.527 ppm2 1.539
ASSI { 2011}
(( segid " A" and resid 129 and name HN ))
(( segid " A" and resid 173 and name HA ))
2.922 1.202 1.461 peak 2011 weight 1.00000E+00 volume -1.13472E+06 ppm1 8.526 ppm2 4.703
ASSI { 2012}
(( segid " A" and resid 129 and name HN ))
(( segid " A" and resid 175 and name HA ))
3.178 1.458 1.589 peak 2012 weight 1.00000E+00 volume -6.84975E+05 ppm1 8.527 ppm2 4.812
ASSI { 2014}
(( segid " A" and resid 129 and name HN ))
(( segid " A" and resid 128 and name HN ))
8.000 4.000 0.000 peak 2014 weight 1.00000E+00 volume -1.03332E+03 ppm1 8.534 ppm2 7.418
ASSI { 2015}
(( segid " A" and resid 129 and name HN ))
(( segid " A" and resid 130 and name HN ))
4.745 2.373 2.373 peak 2015 weight 1.00000E+00 volume 6.18673E+04 ppm1 8.537 ppm2 8.035
ASSI { 2016}
(( segid " A" and resid 174 and name HN ))
(( segid " A" and resid 130 and name HN ))
4.504 2.252 2.252 peak 2016 weight 1.00000E+00 volume -8.46161E+04 ppm1 8.032 ppm2 8.980
ASSI { 2017}
(( segid " A" and resid 131 and name HN ))
(( segid " A" and resid 130 and name HN ))
4.504 2.252 2.252 peak 2017 weight 1.00000E+00 volume -7.38637E+03 ppm1 8.032 ppm2 8.947
ASSI { 2018}
(( segid " A" and resid 129 and name HN ))
(( segid " A" and resid 130 and name HN ))
6.995 3.497 1.005 peak 2018 weight 1.00000E+00 volume -1.09276E+03 ppm1 8.036 ppm2 8.531
ASSI { 2020}
(( segid " A" and resid 130 and name HN ))
(( segid " A" and resid 129 and name HA ))
2.560 0.840 1.280 peak 2020 weight 1.00000E+00 volume -2.51069E+06 ppm1 8.028 ppm2 4.628
ASSI { 2021}
(( segid " A" and resid 130 and name HN ))
(( segid " A" and resid 129 and name HB ))
2.756 1.036 1.378 peak 2021 weight 1.00000E+00 volume -8.46028E+04 ppm1 8.030 ppm2 1.997
ASSI { 2023}
(( segid " A" and resid 130 and name HN ))
( segid " A" and resid 129 and name HG2#)
3.791 1.896 1.896 peak 2023 weight 1.00000E+00 volume -2.37797E+05 ppm1 8.029 ppm2 0.700
ASSI { 2024}
(( segid " A" and resid 131 and name HN ))
( segid " A" and resid 129 and name HG2#)
3.095 1.375 1.548 peak 2024 weight 1.00000E+00 volume -3.28183E+04 ppm1 8.946 ppm2 0.700
ASSI { 2025}
(( segid " A" and resid 131 and name HN ))
( segid " A" and resid 129 and name HG1#)
3.011 1.291 1.505 peak 2025 weight 1.00000E+00 volume -9.48352E+05 ppm1 8.947 ppm2 0.903
ASSI { 2027}
(( segid " A" and resid 131 and name HN ))
(( segid " A" and resid 130 and name HB1 ))
3.363 1.643 1.682 peak 2027 weight 1.00000E+00 volume -4.87919E+05 ppm1 8.942 ppm2 1.885
ASSI { 2028}
(( segid " A" and resid 131 and name HN ))
(( segid " A" and resid 130 and name HB2 ))
3.567 1.783 1.783 peak 2028 weight 1.00000E+00 volume -1.98536E+04 ppm1 8.943 ppm2 2.028
ASSI { 2029}
(( segid " A" and resid 131 and name HN ))
(( segid " A" and resid 171 and name HA ))
4.426 2.213 2.213 peak 2029 weight 1.00000E+00 volume 2.97971E+03 ppm1 8.948 ppm2 4.319
ASSI { 2030}
(( segid " A" and resid 131 and name HN ))
(( segid " A" and resid 173 and name HA ))
3.320 1.600 1.660 peak 2030 weight 1.00000E+00 volume -2.69541E+04 ppm1 8.945 ppm2 4.706
ASSI { 2031}
(( segid " A" and resid 131 and name HN ))
(( segid " A" and resid 132 and name HA ))
3.910 1.955 1.955 peak 2031 weight 1.00000E+00 volume 1.29623E+03 ppm1 8.943 ppm2 4.789
ASSI { 2033}
(( segid " A" and resid 131 and name HN ))
(( segid " A" and resid 172 and name HN ))
3.768 1.884 1.884 peak 2033 weight 1.00000E+00 volume -2.16141E+04 ppm1 8.947 ppm2 9.306
ASSI { 2034}
(( segid " A" and resid 133 and name HN ))
(( segid " A" and resid 132 and name HN ))
4.739 2.370 2.370 peak 2034 weight 1.00000E+00 volume -6.73636E+03 ppm1 9.762 ppm2 9.205
ASSI { 2035}
(( segid " A" and resid 131 and name HN ))
(( segid " A" and resid 132 and name HN ))
5.089 2.544 2.544 peak 2035 weight 1.00000E+00 volume -4.06768E+04 ppm1 9.747 ppm2 8.993
ASSI { 2036}
(( segid " A" and resid 155 and name HN ))
(( segid " A" and resid 132 and name HN ))
5.586 2.793 2.414 peak 2036 weight 1.00000E+00 volume -2.32460E+04 ppm1 9.745 ppm2 8.380
ASSI { 2037}
(( segid " A" and resid 132 and name HN ))
(( segid " A" and resid 132 and name HA ))
3.694 1.847 1.847 peak 2037 weight 1.00000E+00 volume -2.78149E+05 ppm1 9.742 ppm2 4.787
ASSI { 2038}
(( segid " A" and resid 155 and name HG2 ))
(( segid " A" and resid 132 and name HN ))
3.585 1.792 1.792 peak 2038 weight 1.00000E+00 volume -2.17376E+04 ppm1 9.747 ppm2 2.446
ASSI { 2039}
(( segid " A" and resid 155 and name HG1 ))
(( segid " A" and resid 132 and name HN ))
3.904 1.952 1.952 peak 2039 weight 1.00000E+00 volume -1.21659E+04 ppm1 9.744 ppm2 2.313
ASSI { 2040}
(( segid " A" and resid 132 and name HN ))
(( segid " A" and resid 155 and name HB2 ))
4.415 2.207 2.207 peak 2040 weight 1.00000E+00 volume -9.54028E+04 ppm1 9.747 ppm2 2.038
ASSI { 2041}
(( segid " A" and resid 132 and name HN ))
(( segid " A" and resid 131 and name HB2 ))
3.770 1.885 1.885 peak 2041 weight 1.00000E+00 volume -2.45951E+05 ppm1 9.747 ppm2 1.756
ASSI { 2042}
( segid " A" and resid 154 and name HG1#)
(( segid " A" and resid 132 and name HN ))
3.198 1.478 1.599 peak 2042 weight 1.00000E+00 volume -6.59907E+05 ppm1 9.745 ppm2 1.191
ASSI { 2043}
(( segid " A" and resid 132 and name HN ))
( segid " A" and resid 131 and name HD1#)
3.982 1.991 1.991 peak 2043 weight 1.00000E+00 volume -1.01339E+04 ppm1 9.744 ppm2 0.796
ASSI { 2044}
(( segid " A" and resid 133 and name HN ))
( segid " A" and resid 132 and name HG2#)
2.844 1.124 1.422 peak 2044 weight 1.00000E+00 volume -7.59540E+04 ppm1 9.198 ppm2 1.086
ASSI { 2045}
(( segid " A" and resid 133 and name HN ))
( segid " A" and resid 154 and name HG1#)
3.223 1.503 1.611 peak 2045 weight 1.00000E+00 volume -1.75946E+04 ppm1 9.194 ppm2 1.191
ASSI { 2046}
(( segid " A" and resid 133 and name HN ))
(( segid " A" and resid 169 and name HA1 ))
4.974 2.487 2.487 peak 2046 weight 1.00000E+00 volume 4.66634E+04 ppm1 9.198 ppm2 3.494
ASSI { 2047}
(( segid " A" and resid 133 and name HN ))
(( segid " A" and resid 132 and name HB ))
4.419 2.210 2.210 peak 2047 weight 1.00000E+00 volume -9.47944E+04 ppm1 9.200 ppm2 4.284
ASSI { 2048}
(( segid " A" and resid 133 and name HN ))
(( segid " A" and resid 171 and name HA ))
4.673 2.337 2.337 peak 2048 weight 1.00000E+00 volume -6.77920E+04 ppm1 9.197 ppm2 4.296
ASSI { 2051}
(( segid " A" and resid 133 and name HN ))
(( segid " A" and resid 132 and name HA ))
2.574 0.854 1.287 peak 2051 weight 1.00000E+00 volume -2.42776E+06 ppm1 9.197 ppm2 4.790
ASSI { 2052}
(( segid " A" and resid 133 and name HN ))
(( segid " A" and resid 169 and name HN ))
4.262 2.131 2.131 peak 2052 weight 1.00000E+00 volume -1.17838E+05 ppm1 9.198 ppm2 8.790
ASSI { 2053}
(( segid " A" and resid 124 and name HN ))
(( segid " A" and resid 125 and name HN ))
3.858 1.929 1.929 peak 2053 weight 1.00000E+00 volume -2.14313E+05 ppm1 9.196 ppm2 8.811
ASSI { 2055}
(( segid " A" and resid 133 and name HN ))
(( segid " A" and resid 134 and name HN ))
4.464 2.232 2.232 peak 2055 weight 1.00000E+00 volume -8.91993E+04 ppm1 9.426 ppm2 9.201
ASSI { 2056}
(( segid " A" and resid 134 and name HN ))
(( segid " A" and resid 153 and name HN ))
4.432 2.216 2.216 peak 2056 weight 1.00000E+00 volume -8.19586E+03 ppm1 9.421 ppm2 9.104
ASSI { 2057}
(( segid " A" and resid 169 and name HN ))
(( segid " A" and resid 134 and name HN ))
4.573 2.286 2.286 peak 2057 weight 1.00000E+00 volume 3.93322E+03 ppm1 9.396 ppm2 8.775
ASSI { 2058}
(( segid " A" and resid 134 and name HN ))
(( segid " A" and resid 155 and name HN ))
4.217 2.108 2.108 peak 2058 weight 1.00000E+00 volume -1.25598E+05 ppm1 9.411 ppm2 8.394
ASSI { 2060}
(( segid " A" and resid 134 and name HN ))
(( segid " A" and resid 136 and name HB ))
8.000 4.000 0.000 peak 2060 weight 1.00000E+00 volume 2.59245E+03 ppm1 9.427 ppm2 4.320
ASSI { 2062}
(( segid " A" and resid 134 and name HN ))
(( segid " A" and resid 134 and name HB ))
3.742 1.871 1.871 peak 2062 weight 1.00000E+00 volume -1.15387E+04 ppm1 9.420 ppm2 4.145
ASSI { 2063}
(( segid " A" and resid 134 and name HN ))
(( segid " A" and resid 133 and name HB ))
5.004 2.502 2.502 peak 2063 weight 1.00000E+00 volume -1.76000E+03 ppm1 9.423 ppm2 1.897
ASSI { 2078}
(( segid " A" and resid 136 and name HN ))
(( segid " A" and resid 136 and name HB ))
3.387 1.667 1.694 peak 2078 weight 1.00000E+00 volume -4.67578E+05 ppm1 8.711 ppm2 4.313
ASSI { 2079}
(( segid " A" and resid 136 and name HA ))
(( segid " A" and resid 136 and name HN ))
3.558 1.779 1.779 peak 2079 weight 1.00000E+00 volume -4.40341E+03 ppm1 8.711 ppm2 4.298
ASSI { 2080}
(( segid " A" and resid 137 and name HG2 ))
(( segid " A" and resid 136 and name HN ))
3.940 1.970 1.970 peak 2080 weight 1.00000E+00 volume -4.20364E+03 ppm1 8.710 ppm2 2.315
ASSI { 2081}
(( segid " A" and resid 168 and name HG2 ))
(( segid " A" and resid 136 and name HN ))
3.940 1.970 1.970 peak 2081 weight 1.00000E+00 volume -4.20364E+03 ppm1 8.712 ppm2 2.292
ASSI { 2083}
( segid " A" and resid 152 and name HB# )
(( segid " A" and resid 136 and name HN ))
6.211 3.105 1.789 peak 2083 weight 1.00000E+00 volume -1.11949E+04 ppm1 8.703 ppm2 1.224
ASSI { 2084}
(( segid " A" and resid 136 and name HN ))
( segid " A" and resid 133 and name HG1#)
7.148 3.574 0.852 peak 2084 weight 1.00000E+00 volume -1.68690E+03 ppm1 8.705 ppm2 0.958
ASSI { 2085}
(( segid " A" and resid 136 and name HN ))
( segid " A" and resid 134 and name HG2#)
4.996 2.498 2.498 peak 2085 weight 1.00000E+00 volume -6.25899E+03 ppm1 8.705 ppm2 0.786
ASSI { 2086}
(( segid " A" and resid 136 and name HN ))
( segid " A" and resid 133 and name HG2#)
4.187 2.093 2.093 peak 2086 weight 1.00000E+00 volume -1.31120E+05 ppm1 8.705 ppm2 0.778
ASSI { 2089}
( segid " A" and resid 152 and name HB# )
(( segid " A" and resid 137 and name HN ))
4.029 2.014 2.014 peak 2089 weight 1.00000E+00 volume -1.65122E+05 ppm1 8.168 ppm2 1.222
ASSI { 2090}
(( segid " A" and resid 137 and name HN ))
(( segid " A" and resid 136 and name HB ))
3.819 1.909 1.909 peak 2090 weight 1.00000E+00 volume -2.27676E+05 ppm1 8.172 ppm2 4.313
ASSI { 2091}
(( segid " A" and resid 137 and name HN ))
(( segid " A" and resid 137 and name HA ))
2.581 0.861 1.291 peak 2091 weight 1.00000E+00 volume -1.04278E+05 ppm1 8.171 ppm2 4.611
ASSI { 2092}
(( segid " A" and resid 152 and name HA ))
(( segid " A" and resid 137 and name HN ))
3.830 1.915 1.915 peak 2092 weight 1.00000E+00 volume -2.02992E+04 ppm1 8.174 ppm2 4.922
ASSI { 2094}
(( segid " A" and resid 137 and name HB1 ))
(( segid " A" and resid 139 and name HN ))
4.228 2.114 2.114 peak 2094 weight 1.00000E+00 volume -1.23562E+05 ppm1 8.469 ppm2 1.906
ASSI { 2095}
( segid " A" and resid 164 and name HD1#)
(( segid " A" and resid 149 and name HN ))
3.991 1.996 1.996 peak 2095 weight 1.00000E+00 volume -1.56846E+04 ppm1 7.869 ppm2 0.631
ASSI { 2096}
( segid " A" and resid 164 and name HD2#)
(( segid " A" and resid 149 and name HN ))
3.428 1.708 1.714 peak 2096 weight 1.00000E+00 volume -2.89993E+04 ppm1 7.879 ppm2 0.836
ASSI { 2097}
(( segid " A" and resid 149 and name HB ))
(( segid " A" and resid 149 and name HN ))
4.296 2.148 2.148 peak 2097 weight 1.00000E+00 volume -9.09729E+03 ppm1 7.888 ppm2 3.924
ASSI { 2098}
(( segid " A" and resid 162 and name HN ))
(( segid " A" and resid 150 and name HN ))
3.651 1.825 1.825 peak 2098 weight 1.00000E+00 volume -2.98229E+05 ppm1 9.081 ppm2 9.285
ASSI { 2099}
(( segid " A" and resid 150 and name HN ))
(( segid " A" and resid 151 and name HN ))
5.021 2.510 2.510 peak 2099 weight 1.00000E+00 volume -4.40864E+04 ppm1 9.088 ppm2 8.533
ASSI { 2100}
(( segid " A" and resid 150 and name HN ))
(( segid " A" and resid 149 and name HN ))
5.183 2.591 2.591 peak 2100 weight 1.00000E+00 volume 3.64391E+04 ppm1 9.104 ppm2 7.881
ASSI { 2101}
(( segid " A" and resid 150 and name HN ))
(( segid " A" and resid 161 and name HA ))
4.132 2.066 2.066 peak 2101 weight 1.00000E+00 volume -1.41861E+05 ppm1 9.087 ppm2 5.302
ASSI { 2102}
(( segid " A" and resid 150 and name HN ))
(( segid " A" and resid 149 and name HA ))
2.775 1.055 1.387 peak 2102 weight 1.00000E+00 volume -1.54755E+06 ppm1 9.087 ppm2 4.778
ASSI { 2104}
(( segid " A" and resid 150 and name HN ))
(( segid " A" and resid 162 and name HA ))
4.915 2.458 2.458 peak 2104 weight 1.00000E+00 volume -5.00729E+04 ppm1 9.105 ppm2 4.433
ASSI { 2105}
(( segid " A" and resid 150 and name HN ))
(( segid " A" and resid 163 and name HA ))
7.202 3.601 0.798 peak 2105 weight 1.00000E+00 volume 5.06013E+03 ppm1 9.078 ppm2 4.283
ASSI { 2106}
(( segid " A" and resid 150 and name HN ))
(( segid " A" and resid 164 and name HA ))
5.076 2.538 2.538 peak 2106 weight 1.00000E+00 volume -4.12820E+04 ppm1 9.087 ppm2 3.521
ASSI { 2107}
(( segid " A" and resid 150 and name HN ))
(( segid " A" and resid 161 and name HB2 ))
4.306 2.153 2.153 peak 2107 weight 1.00000E+00 volume 1.10777E+05 ppm1 9.090 ppm2 2.634
ASSI { 2108}
(( segid " A" and resid 150 and name HN ))
(( segid " A" and resid 150 and name HB2 ))
6.453 3.226 1.547 peak 2108 weight 1.00000E+00 volume 1.38560E+03 ppm1 9.079 ppm2 1.693
ASSI { 2109}
(( segid " A" and resid 150 and name HN ))
( segid " A" and resid 164 and name HD2#)
2.861 1.141 1.430 peak 2109 weight 1.00000E+00 volume -6.65200E+04 ppm1 9.081 ppm2 0.835
ASSI { 2111}
(( segid " A" and resid 150 and name HN ))
( segid " A" and resid 162 and name HG1#)
3.347 1.627 1.673 peak 2111 weight 1.00000E+00 volume -5.02737E+05 ppm1 9.081 ppm2 0.547
ASSI { 2112}
( segid " A" and resid 152 and name HB# )
(( segid " A" and resid 151 and name HN ))
5.843 2.922 2.157 peak 2112 weight 1.00000E+00 volume 1.77430E+04 ppm1 8.532 ppm2 1.227
ASSI { 2113}
(( segid " A" and resid 151 and name HN ))
(( segid " A" and resid 150 and name HB2 ))
4.425 2.212 2.212 peak 2113 weight 1.00000E+00 volume -9.40775E+04 ppm1 8.536 ppm2 1.687
ASSI { 2114}
(( segid " A" and resid 151 and name HN ))
(( segid " A" and resid 151 and name HA ))
2.433 0.713 1.216 peak 2114 weight 1.00000E+00 volume -3.40847E+06 ppm1 8.532 ppm2 4.692
ASSI { 2115}
(( segid " A" and resid 161 and name HA ))
(( segid " A" and resid 151 and name HN ))
4.743 2.371 2.371 peak 2115 weight 1.00000E+00 volume -6.20723E+04 ppm1 8.540 ppm2 5.305
ASSI { 2116}
(( segid " A" and resid 150 and name HN ))
(( segid " A" and resid 151 and name HN ))
4.511 2.255 2.255 peak 2116 weight 1.00000E+00 volume -8.38668E+04 ppm1 8.526 ppm2 9.083
ASSI { 2117}
(( segid " A" and resid 152 and name HN ))
(( segid " A" and resid 151 and name HN ))
4.671 2.336 2.336 peak 2117 weight 1.00000E+00 volume -6.48100E+03 ppm1 8.532 ppm2 9.190
ASSI { 2118}
(( segid " A" and resid 162 and name HN ))
(( segid " A" and resid 151 and name HN ))
8.000 4.000 0.000 peak 2118 weight 1.00000E+00 volume -7.08500E+03 ppm1 8.521 ppm2 9.257
ASSI { 2121}
(( segid " A" and resid 152 and name HN ))
(( segid " A" and resid 151 and name HN ))
4.035 2.017 2.017 peak 2121 weight 1.00000E+00 volume 1.63714E+05 ppm1 9.202 ppm2 8.536
ASSI { 2122}
(( segid " A" and resid 152 and name HN ))
(( segid " A" and resid 161 and name HN ))
4.795 2.398 2.398 peak 2122 weight 1.00000E+00 volume -5.80721E+04 ppm1 9.185 ppm2 8.091
ASSI { 2123}
(( segid " A" and resid 152 and name HN ))
(( segid " A" and resid 159 and name HA ))
4.172 2.086 2.086 peak 2123 weight 1.00000E+00 volume -1.33922E+05 ppm1 9.188 ppm2 5.218
ASSI { 2124}
(( segid " A" and resid 152 and name HN ))
(( segid " A" and resid 153 and name HA ))
4.880 2.440 2.440 peak 2124 weight 1.00000E+00 volume -5.23158E+04 ppm1 9.189 ppm2 5.113
ASSI { 2125}
(( segid " A" and resid 152 and name HN ))
(( segid " A" and resid 151 and name HA ))
2.339 0.619 1.169 peak 2125 weight 1.00000E+00 volume -4.31771E+06 ppm1 9.186 ppm2 4.693
ASSI { 2126}
(( segid " A" and resid 152 and name HN ))
(( segid " A" and resid 160 and name HA ))
3.376 1.656 1.688 peak 2126 weight 1.00000E+00 volume -1.72855E+04 ppm1 9.189 ppm2 4.580
ASSI { 2128}
(( segid " A" and resid 153 and name HN ))
( segid " A" and resid 133 and name HG2#)
3.035 1.315 1.518 peak 2128 weight 1.00000E+00 volume -4.58231E+04 ppm1 9.103 ppm2 0.776
ASSI { 2131}
(( segid " A" and resid 153 and name HN ))
(( segid " A" and resid 154 and name HA ))
4.105 2.053 2.053 peak 2131 weight 1.00000E+00 volume -1.47558E+05 ppm1 9.103 ppm2 4.260
ASSI { 2132}
(( segid " A" and resid 153 and name HN ))
(( segid " A" and resid 136 and name HA ))
4.105 2.053 2.053 peak 2132 weight 1.00000E+00 volume -1.47558E+05 ppm1 9.103 ppm2 4.298
ASSI { 2133}
(( segid " A" and resid 153 and name HN ))
(( segid " A" and resid 136 and name HB ))
3.913 1.957 1.957 peak 2133 weight 1.00000E+00 volume -1.96625E+05 ppm1 9.103 ppm2 4.314
ASSI { 2134}
(( segid " A" and resid 153 and name HN ))
(( segid " A" and resid 153 and name HA ))
3.359 1.639 1.680 peak 2134 weight 1.00000E+00 volume -4.91259E+05 ppm1 9.103 ppm2 5.112
ASSI { 2135}
(( segid " A" and resid 153 and name HN ))
(( segid " A" and resid 159 and name HA ))
3.811 1.905 1.905 peak 2135 weight 1.00000E+00 volume -4.96752E+03 ppm1 9.101 ppm2 5.218
ASSI { 2136}
(( segid " A" and resid 154 and name HN ))
(( segid " A" and resid 153 and name HN ))
5.019 2.510 2.510 peak 2136 weight 1.00000E+00 volume 4.53951E+03 ppm1 9.107 ppm2 8.755
ASSI { 2137}
(( segid " A" and resid 152 and name HN ))
(( segid " A" and resid 153 and name HN ))
2.930 1.210 1.465 peak 2137 weight 1.00000E+00 volume -2.85223E+04 ppm1 9.102 ppm2 9.188
ASSI { 2138}
(( segid " A" and resid 134 and name HN ))
(( segid " A" and resid 153 and name HN ))
5.702 2.851 2.298 peak 2138 weight 1.00000E+00 volume 3.91316E+03 ppm1 9.101 ppm2 9.414
ASSI { 2139}
(( segid " A" and resid 154 and name HN ))
(( segid " A" and resid 153 and name HN ))
5.118 2.559 2.559 peak 2139 weight 1.00000E+00 volume -6.10456E+03 ppm1 8.764 ppm2 9.101
ASSI { 2140}
(( segid " A" and resid 154 and name HN ))
(( segid " A" and resid 157 and name HN ))
3.724 1.862 1.862 peak 2140 weight 1.00000E+00 volume -1.87257E+04 ppm1 8.751 ppm2 8.895
ASSI { 2142}
(( segid " A" and resid 154 and name HN ))
(( segid " A" and resid 156 and name HN ))
4.108 2.054 2.054 peak 2142 weight 1.00000E+00 volume 1.46847E+05 ppm1 8.734 ppm2 6.720
ASSI { 2143}
(( segid " A" and resid 154 and name HN ))
(( segid " A" and resid 159 and name HA ))
2.947 1.227 1.474 peak 2143 weight 1.00000E+00 volume -5.17805E+04 ppm1 8.751 ppm2 5.219
ASSI { 2144}
(( segid " A" and resid 154 and name HN ))
(( segid " A" and resid 153 and name HA ))
2.943 1.223 1.472 peak 2144 weight 1.00000E+00 volume -1.08687E+06 ppm1 8.752 ppm2 5.113
ASSI { 2145}
(( segid " A" and resid 154 and name HN ))
(( segid " A" and resid 158 and name HA ))
3.665 1.833 1.833 peak 2145 weight 1.00000E+00 volume -2.91215E+05 ppm1 8.751 ppm2 4.475
ASSI { 2146}
(( segid " A" and resid 154 and name HN ))
(( segid " A" and resid 133 and name HA ))
3.354 1.634 1.677 peak 2146 weight 1.00000E+00 volume -4.96266E+05 ppm1 8.747 ppm2 4.030
ASSI { 2147}
(( segid " A" and resid 154 and name HN ))
(( segid " A" and resid 153 and name HB ))
5.491 2.745 2.509 peak 2147 weight 1.00000E+00 volume -2.57773E+04 ppm1 8.755 ppm2 3.776
ASSI { 2148}
(( segid " A" and resid 154 and name HN ))
(( segid " A" and resid 154 and name HB ))
3.313 1.593 1.657 peak 2148 weight 1.00000E+00 volume -5.34036E+05 ppm1 8.749 ppm2 1.958
ASSI { 2154}
(( segid " A" and resid 154 and name HN ))
( segid " A" and resid 160 and name HD1#)
3.492 1.746 1.746 peak 2154 weight 1.00000E+00 volume -1.98488E+04 ppm1 8.750 ppm2 0.719
ASSI { 2155}
(( segid " A" and resid 155 and name HN ))
( segid " A" and resid 131 and name HD1#)
3.540 1.770 1.770 peak 2155 weight 1.00000E+00 volume -2.32463E+04 ppm1 8.382 ppm2 0.798
ASSI { 2156}
( segid " A" and resid 156 and name HG2#)
(( segid " A" and resid 155 and name HN ))
3.553 1.776 1.776 peak 2156 weight 1.00000E+00 volume -1.43028E+04 ppm1 8.380 ppm2 1.167
ASSI { 2157}
(( segid " A" and resid 155 and name HN ))
( segid " A" and resid 154 and name HG1#)
3.625 1.812 1.812 peak 2157 weight 1.00000E+00 volume -1.30561E+04 ppm1 8.377 ppm2 1.191
ASSI { 2158}
(( segid " A" and resid 155 and name HN ))
(( segid " A" and resid 131 and name HB2 ))
3.998 1.999 1.999 peak 2158 weight 1.00000E+00 volume -1.54249E+04 ppm1 8.379 ppm2 1.757
ASSI { 2159}
(( segid " A" and resid 155 and name HN ))
(( segid " A" and resid 154 and name HB ))
3.817 1.908 1.908 peak 2159 weight 1.00000E+00 volume -1.11301E+04 ppm1 8.382 ppm2 1.956
ASSI { 2160}
(( segid " A" and resid 155 and name HN ))
(( segid " A" and resid 155 and name HB2 ))
3.613 1.807 1.807 peak 2160 weight 1.00000E+00 volume -3.17476E+05 ppm1 8.381 ppm2 2.037
ASSI { 2161}
(( segid " A" and resid 155 and name HN ))
(( segid " A" and resid 133 and name HA ))
3.909 1.955 1.955 peak 2161 weight 1.00000E+00 volume -1.97810E+05 ppm1 8.384 ppm2 4.036
ASSI { 2162}
(( segid " A" and resid 155 and name HN ))
(( segid " A" and resid 132 and name HB ))
3.593 1.797 1.797 peak 2162 weight 1.00000E+00 volume -2.49606E+04 ppm1 8.381 ppm2 4.280
ASSI { 2163}
(( segid " A" and resid 156 and name HN ))
(( segid " A" and resid 155 and name HN ))
5.396 2.698 2.604 peak 2163 weight 1.00000E+00 volume -6.59524E+03 ppm1 8.383 ppm2 6.717
ASSI { 2164}
(( segid " A" and resid 154 and name HN ))
(( segid " A" and resid 155 and name HN ))
6.067 3.034 1.933 peak 2164 weight 1.00000E+00 volume -1.47632E+03 ppm1 8.382 ppm2 8.742
ASSI { 2165}
(( segid " A" and resid 157 and name HN ))
(( segid " A" and resid 155 and name HN ))
4.737 2.368 2.368 peak 2165 weight 1.00000E+00 volume -7.59593E+03 ppm1 8.382 ppm2 8.917
ASSI { 2166}
(( segid " A" and resid 134 and name HN ))
(( segid " A" and resid 155 and name HN ))
5.108 2.554 2.554 peak 2166 weight 1.00000E+00 volume -6.97942E+03 ppm1 8.384 ppm2 9.434
ASSI { 2167}
(( segid " A" and resid 155 and name HN ))
(( segid " A" and resid 132 and name HN ))
4.911 2.455 2.455 peak 2167 weight 1.00000E+00 volume -6.99507E+03 ppm1 8.379 ppm2 9.776
ASSI { 2168}
(( segid " A" and resid 156 and name HN ))
(( segid " A" and resid 132 and name HN ))
6.474 3.237 1.526 peak 2168 weight 1.00000E+00 volume -9.59643E+03 ppm1 6.709 ppm2 9.748
ASSI { 2169}
(( segid " A" and resid 154 and name HN ))
(( segid " A" and resid 156 and name HN ))
4.139 2.070 2.070 peak 2169 weight 1.00000E+00 volume -1.40445E+05 ppm1 6.724 ppm2 8.759
ASSI { 2170}
(( segid " A" and resid 156 and name HN ))
(( segid " A" and resid 104 and name HA ))
4.073 2.037 2.037 peak 2170 weight 1.00000E+00 volume -1.54677E+05 ppm1 6.722 ppm2 4.713
ASSI { 2171}
(( segid " A" and resid 156 and name HN ))
(( segid " A" and resid 154 and name HA ))
3.834 1.917 1.917 peak 2171 weight 1.00000E+00 volume -2.22209E+05 ppm1 6.720 ppm2 4.258
ASSI { 2172}
(( segid " A" and resid 158 and name HB2 ))
(( segid " A" and resid 156 and name HN ))
5.062 2.531 2.531 peak 2172 weight 1.00000E+00 volume 5.97466E+03 ppm1 6.711 ppm2 3.062
ASSI { 2173}
(( segid " A" and resid 156 and name HN ))
(( segid " A" and resid 155 and name HB2 ))
4.119 2.060 2.060 peak 2173 weight 1.00000E+00 volume -8.61569E+03 ppm1 6.720 ppm2 2.036
ASSI { 2174}
(( segid " A" and resid 156 and name HN ))
(( segid " A" and resid 131 and name HB2 ))
6.194 3.097 1.806 peak 2174 weight 1.00000E+00 volume 3.37409E+03 ppm1 6.720 ppm2 1.744
ASSI { 2176}
(( segid " A" and resid 156 and name HN ))
( segid " A" and resid 131 and name HD1#)
3.944 1.972 1.972 peak 2176 weight 1.00000E+00 volume -1.15556E+04 ppm1 6.722 ppm2 0.802
ASSI { 2178}
(( segid " A" and resid 157 and name HN ))
(( segid " A" and resid 155 and name HG1 ))
4.166 2.083 2.083 peak 2178 weight 1.00000E+00 volume -1.35156E+05 ppm1 8.893 ppm2 2.314
ASSI { 2179}
(( segid " A" and resid 157 and name HN ))
(( segid " A" and resid 155 and name HG2 ))
3.945 1.973 1.973 peak 2179 weight 1.00000E+00 volume -1.14306E+04 ppm1 8.890 ppm2 2.448
ASSI { 2180}
(( segid " A" and resid 157 and name HN ))
(( segid " A" and resid 158 and name HB2 ))
4.923 2.462 2.462 peak 2180 weight 1.00000E+00 volume -4.95940E+04 ppm1 8.899 ppm2 3.061
ASSI { 2181}
(( segid " A" and resid 157 and name HN ))
(( segid " A" and resid 156 and name HB ))
4.933 2.466 2.466 peak 2181 weight 1.00000E+00 volume -4.90203E+04 ppm1 8.883 ppm2 3.811
ASSI { 2182}
(( segid " A" and resid 157 and name HN ))
(( segid " A" and resid 154 and name HA ))
3.970 1.985 1.985 peak 2182 weight 1.00000E+00 volume -1.80413E+05 ppm1 8.892 ppm2 4.256
ASSI { 2183}
(( segid " A" and resid 157 and name HN ))
(( segid " A" and resid 155 and name HA ))
3.970 1.985 1.985 peak 2183 weight 1.00000E+00 volume -1.80413E+05 ppm1 8.893 ppm2 4.271
ASSI { 2184}
(( segid " A" and resid 157 and name HN ))
(( segid " A" and resid 156 and name HA ))
2.649 0.929 1.324 peak 2184 weight 1.00000E+00 volume -2.04483E+06 ppm1 8.893 ppm2 4.475
ASSI { 2185}
(( segid " A" and resid 154 and name HN ))
(( segid " A" and resid 157 and name HN ))
4.347 2.173 2.173 peak 2185 weight 1.00000E+00 volume -1.04686E+05 ppm1 8.897 ppm2 8.753
ASSI { 2186}
(( segid " A" and resid 154 and name HN ))
(( segid " A" and resid 158 and name HN ))
5.024 2.512 2.512 peak 2186 weight 1.00000E+00 volume -4.39022E+04 ppm1 7.054 ppm2 8.749
ASSI { 2187}
(( segid " A" and resid 159 and name HN ))
(( segid " A" and resid 158 and name HN ))
4.017 2.008 2.008 peak 2187 weight 1.00000E+00 volume -1.68202E+05 ppm1 7.056 ppm2 7.257
ASSI { 2188}
(( segid " A" and resid 158 and name HN ))
(( segid " A" and resid 156 and name HN ))
3.626 1.813 1.813 peak 2188 weight 1.00000E+00 volume -3.10805E+05 ppm1 7.052 ppm2 6.721
ASSI { 2191}
(( segid " A" and resid 158 and name HA ))
(( segid " A" and resid 158 and name HN ))
2.886 1.166 1.443 peak 2191 weight 1.00000E+00 volume -7.43743E+04 ppm1 7.050 ppm2 4.475
ASSI { 2194}
(( segid " A" and resid 158 and name HN ))
( segid " A" and resid 131 and name HD1#)
4.623 2.311 2.311 peak 2194 weight 1.00000E+00 volume -7.23838E+04 ppm1 7.045 ppm2 0.798
ASSI { 2196}
(( segid " A" and resid 159 and name HN ))
(( segid " A" and resid 153 and name HA ))
3.820 1.910 1.910 peak 2196 weight 1.00000E+00 volume -2.27334E+05 ppm1 7.255 ppm2 5.118
ASSI { 2197}
(( segid " A" and resid 159 and name HN ))
(( segid " A" and resid 158 and name HN ))
3.866 1.933 1.933 peak 2197 weight 1.00000E+00 volume -2.11473E+05 ppm1 7.254 ppm2 7.051
ASSI { 2198}
(( segid " A" and resid 160 and name HN ))
(( segid " A" and resid 153 and name HN ))
3.870 1.935 1.935 peak 2198 weight 1.00000E+00 volume -2.10196E+05 ppm1 8.884 ppm2 9.104
ASSI { 2200}
(( segid " A" and resid 160 and name HN ))
(( segid " A" and resid 161 and name HN ))
5.644 2.822 2.356 peak 2200 weight 1.00000E+00 volume 2.18500E+04 ppm1 8.888 ppm2 8.104
ASSI { 2201}
(( segid " A" and resid 160 and name HN ))
(( segid " A" and resid 159 and name HN ))
4.776 2.388 2.388 peak 2201 weight 1.00000E+00 volume 5.95194E+04 ppm1 8.864 ppm2 7.249
ASSI { 2202}
(( segid " A" and resid 160 and name HN ))
( segid " A" and resid 158 and name HD# )
4.634 2.317 2.317 peak 2202 weight 1.00000E+00 volume 7.13309E+04 ppm1 8.885 ppm2 6.846
ASSI { 2203}
(( segid " A" and resid 160 and name HN ))
(( segid " A" and resid 161 and name HA ))
3.315 1.595 1.657 peak 2203 weight 1.00000E+00 volume -5.32252E+05 ppm1 8.882 ppm2 5.302
ASSI { 2204}
(( segid " A" and resid 160 and name HN ))
(( segid " A" and resid 153 and name HA ))
3.136 1.416 1.568 peak 2204 weight 1.00000E+00 volume -7.41945E+05 ppm1 8.881 ppm2 5.115
ASSI { 2205}
(( segid " A" and resid 160 and name HN ))
(( segid " A" and resid 152 and name HA ))
4.016 2.008 2.008 peak 2205 weight 1.00000E+00 volume 1.68298E+05 ppm1 8.884 ppm2 4.916
ASSI { 2207}
(( segid " A" and resid 160 and name HN ))
(( segid " A" and resid 160 and name HA ))
3.273 1.553 1.637 peak 2207 weight 1.00000E+00 volume -5.74251E+05 ppm1 8.881 ppm2 4.578
ASSI { 2208}
(( segid " A" and resid 160 and name HN ))
(( segid " A" and resid 159 and name HB ))
4.311 2.156 2.156 peak 2208 weight 1.00000E+00 volume -1.10000E+05 ppm1 8.883 ppm2 3.647
ASSI { 2210}
(( segid " A" and resid 160 and name HN ))
(( segid " A" and resid 160 and name HB2 ))
3.611 1.806 1.806 peak 2210 weight 1.00000E+00 volume -1.20776E+04 ppm1 8.881 ppm2 1.563
ASSI { 2211}
(( segid " A" and resid 160 and name HN ))
( segid " A" and resid 152 and name HB# )
3.549 1.774 1.774 peak 2211 weight 1.00000E+00 volume -3.53457E+05 ppm1 8.880 ppm2 1.221
ASSI { 2212}
(( segid " A" and resid 160 and name HN ))
( segid " A" and resid 154 and name HG1#)
3.468 1.734 1.734 peak 2212 weight 1.00000E+00 volume -4.06079E+05 ppm1 8.880 ppm2 1.190
ASSI { 2213}
( segid " A" and resid 162 and name HG1#)
(( segid " A" and resid 161 and name HN ))
4.172 2.086 2.086 peak 2213 weight 1.00000E+00 volume -7.06891E+03 ppm1 8.100 ppm2 0.569
ASSI { 2214}
(( segid " A" and resid 161 and name HN ))
(( segid " A" and resid 160 and name HB2 ))
4.237 2.119 2.119 peak 2214 weight 1.00000E+00 volume -1.22038E+05 ppm1 8.103 ppm2 1.552
ASSI { 2216}
(( segid " A" and resid 160 and name HN ))
(( segid " A" and resid 161 and name HN ))
4.992 2.496 2.496 peak 2216 weight 1.00000E+00 volume -4.56500E+04 ppm1 8.122 ppm2 8.878
ASSI { 2217}
(( segid " A" and resid 152 and name HN ))
(( segid " A" and resid 161 and name HN ))
4.598 2.299 2.299 peak 2217 weight 1.00000E+00 volume -8.23755E+03 ppm1 8.107 ppm2 9.189
ASSI { 2218}
(( segid " A" and resid 162 and name HN ))
(( segid " A" and resid 161 and name HN ))
4.668 2.334 2.334 peak 2218 weight 1.00000E+00 volume -7.78212E+03 ppm1 8.107 ppm2 9.265
ASSI { 2219}
(( segid " A" and resid 162 and name HN ))
(( segid " A" and resid 152 and name HN ))
3.153 1.433 1.577 peak 2219 weight 1.00000E+00 volume -2.27554E+04 ppm1 9.285 ppm2 9.189
ASSI { 2220}
(( segid " A" and resid 162 and name HN ))
(( segid " A" and resid 161 and name HN ))
4.343 2.172 2.172 peak 2220 weight 1.00000E+00 volume -1.05244E+05 ppm1 9.298 ppm2 8.113
ASSI { 2221}
(( segid " A" and resid 162 and name HN ))
(( segid " A" and resid 151 and name HA ))
3.252 1.532 1.626 peak 2221 weight 1.00000E+00 volume -5.97214E+05 ppm1 9.290 ppm2 4.693
ASSI { 2222}
(( segid " A" and resid 162 and name HN ))
(( segid " A" and resid 150 and name HA ))
3.235 1.515 1.618 peak 2222 weight 1.00000E+00 volume -6.15659E+05 ppm1 9.287 ppm2 4.728
ASSI { 2224}
(( segid " A" and resid 162 and name HN ))
(( segid " A" and resid 161 and name HB2 ))
4.235 2.118 2.118 peak 2224 weight 1.00000E+00 volume -1.22400E+05 ppm1 9.285 ppm2 2.634
ASSI { 2225}
(( segid " A" and resid 162 and name HN ))
(( segid " A" and resid 150 and name HB2 ))
4.414 2.207 2.207 peak 2225 weight 1.00000E+00 volume -9.54969E+04 ppm1 9.298 ppm2 1.691
ASSI { 2226}
(( segid " A" and resid 162 and name HN ))
( segid " A" and resid 152 and name HB# )
4.415 2.208 2.208 peak 2226 weight 1.00000E+00 volume -9.53358E+04 ppm1 9.285 ppm2 1.221
ASSI { 2227}
(( segid " A" and resid 162 and name HN ))
( segid " A" and resid 149 and name HG2#)
3.598 1.799 1.799 peak 2227 weight 1.00000E+00 volume -1.85415E+04 ppm1 9.286 ppm2 0.832
ASSI { 2229}
(( segid " A" and resid 164 and name HN ))
( segid " A" and resid 149 and name HG2#)
3.143 1.423 1.571 peak 2229 weight 1.00000E+00 volume -7.33246E+05 ppm1 7.787 ppm2 0.827
ASSI { 2231}
(( segid " A" and resid 164 and name HN ))
(( segid " A" and resid 149 and name HA ))
3.696 1.848 1.848 peak 2231 weight 1.00000E+00 volume -2.76980E+05 ppm1 7.784 ppm2 4.776
ASSI { 2232}
(( segid " A" and resid 150 and name HN ))
(( segid " A" and resid 164 and name HN ))
6.126 3.063 1.874 peak 2232 weight 1.00000E+00 volume -1.33655E+04 ppm1 7.788 ppm2 9.105
ASSI { 2234}
(( segid " A" and resid 165 and name HN ))
( segid " A" and resid 165 and name HD# )
4.472 2.236 2.236 peak 2234 weight 1.00000E+00 volume -8.83397E+04 ppm1 6.453 ppm2 7.107
ASSI { 2235}
(( segid " A" and resid 166 and name HN ))
(( segid " A" and resid 165 and name HN ))
4.776 2.388 2.388 peak 2235 weight 1.00000E+00 volume -1.72703E+04 ppm1 6.456 ppm2 6.723
ASSI { 2236}
(( segid " A" and resid 165 and name HA ))
(( segid " A" and resid 165 and name HN ))
3.436 1.716 1.718 peak 2236 weight 1.00000E+00 volume -2.35419E+04 ppm1 6.450 ppm2 4.498
ASSI { 2237}
(( segid " A" and resid 165 and name HN ))
(( segid " A" and resid 163 and name HA ))
6.332 3.166 1.668 peak 2237 weight 1.00000E+00 volume -6.33907E+03 ppm1 6.450 ppm2 4.282
ASSI { 2239}
(( segid " A" and resid 165 and name HN ))
(( segid " A" and resid 165 and name HB2 ))
4.361 2.180 2.180 peak 2239 weight 1.00000E+00 volume -1.28582E+04 ppm1 6.452 ppm2 3.467
ASSI { 2240}
(( segid " A" and resid 165 and name HN ))
(( segid " A" and resid 163 and name HB2 ))
4.239 2.120 2.120 peak 2240 weight 1.00000E+00 volume -1.51910E+04 ppm1 6.453 ppm2 2.012
ASSI { 2241}
(( segid " A" and resid 165 and name HN ))
(( segid " A" and resid 164 and name HB2 ))
3.838 1.919 1.919 peak 2241 weight 1.00000E+00 volume -9.22223E+03 ppm1 6.456 ppm2 1.656
ASSI { 2242}
(( segid " A" and resid 165 and name HN ))
( segid " A" and resid 164 and name HD2#)
4.382 2.191 2.191 peak 2242 weight 1.00000E+00 volume -9.47564E+03 ppm1 6.468 ppm2 0.834
ASSI { 2243}
( segid " A" and resid 166 and name HG1#)
(( segid " A" and resid 165 and name HN ))
4.214 2.107 2.107 peak 2243 weight 1.00000E+00 volume -5.69531E+03 ppm1 6.452 ppm2 0.679
ASSI { 2244}
(( segid " A" and resid 165 and name HN ))
( segid " A" and resid 164 and name HD1#)
4.469 2.234 2.234 peak 2244 weight 1.00000E+00 volume -5.63777E+03 ppm1 6.445 ppm2 0.636
ASSI { 2246}
(( segid " A" and resid 166 and name HN ))
(( segid " A" and resid 163 and name HB2 ))
5.850 2.925 2.150 peak 2246 weight 1.00000E+00 volume 1.76230E+04 ppm1 6.727 ppm2 1.980
ASSI { 2247}
(( segid " A" and resid 166 and name HN ))
(( segid " A" and resid 165 and name HB2 ))
4.333 2.167 2.167 peak 2247 weight 1.00000E+00 volume -1.06708E+05 ppm1 6.732 ppm2 3.470
ASSI { 2248}
(( segid " A" and resid 166 and name HN ))
(( segid " A" and resid 164 and name HA ))
4.545 2.273 2.273 peak 2248 weight 1.00000E+00 volume -8.00806E+04 ppm1 6.731 ppm2 3.519
ASSI { 2249}
(( segid " A" and resid 166 and name HN ))
( segid " A" and resid 165 and name HD# )
3.788 1.894 1.894 peak 2249 weight 1.00000E+00 volume -2.18680E+04 ppm1 6.734 ppm2 7.103
ASSI { 2250}
(( segid " A" and resid 166 and name HN ))
(( segid " A" and resid 167 and name HN ))
5.285 2.642 2.642 peak 2250 weight 1.00000E+00 volume -7.04404E+03 ppm1 6.722 ppm2 9.128
ASSI { 2251}
(( segid " A" and resid 167 and name HA ))
(( segid " A" and resid 167 and name HN ))
3.465 1.733 1.733 peak 2251 weight 1.00000E+00 volume -4.07844E+05 ppm1 9.122 ppm2 5.046
ASSI { 2253}
(( segid " A" and resid 168 and name HN ))
( segid " A" and resid 133 and name HG2#)
3.711 1.855 1.855 peak 2253 weight 1.00000E+00 volume -2.70437E+05 ppm1 8.791 ppm2 0.777
ASSI { 2255}
(( segid " A" and resid 168 and name HN ))
(( segid " A" and resid 167 and name HB1 ))
3.200 1.480 1.600 peak 2255 weight 1.00000E+00 volume -6.58145E+05 ppm1 8.788 ppm2 2.610
ASSI { 2258}
(( segid " A" and resid 168 and name HN ))
(( segid " A" and resid 167 and name HN ))
4.112 2.056 2.056 peak 2258 weight 1.00000E+00 volume -1.12553E+04 ppm1 8.787 ppm2 9.132
ASSI { 2259}
(( segid " A" and resid 133 and name HN ))
(( segid " A" and resid 169 and name HN ))
5.147 2.573 2.573 peak 2259 weight 1.00000E+00 volume -6.60378E+03 ppm1 8.782 ppm2 9.203
ASSI { 2261}
(( segid " A" and resid 169 and name HN ))
(( segid " A" and resid 134 and name HA ))
3.153 1.433 1.577 peak 2261 weight 1.00000E+00 volume -4.40312E+04 ppm1 8.787 ppm2 4.428
ASSI { 2262}
(( segid " A" and resid 169 and name HN ))
(( segid " A" and resid 170 and name HB2 ))
4.549 2.274 2.274 peak 2262 weight 1.00000E+00 volume -8.49710E+03 ppm1 8.789 ppm2 2.973
ASSI { 2264}
(( segid " A" and resid 170 and name HN ))
( segid " A" and resid 166 and name HG1#)
6.017 3.008 1.983 peak 2264 weight 1.00000E+00 volume -1.48845E+04 ppm1 7.850 ppm2 0.683
ASSI { 2265}
(( segid " A" and resid 170 and name HN ))
( segid " A" and resid 132 and name HG2#)
3.224 1.504 1.612 peak 2265 weight 1.00000E+00 volume -6.28751E+05 ppm1 7.846 ppm2 1.081
ASSI { 2266}
(( segid " A" and resid 170 and name HN ))
(( segid " A" and resid 167 and name HB1 ))
3.388 1.668 1.694 peak 2266 weight 1.00000E+00 volume -1.05159E+04 ppm1 7.848 ppm2 2.578
ASSI { 2267}
(( segid " A" and resid 171 and name HA ))
(( segid " A" and resid 170 and name HN ))
4.082 2.041 2.041 peak 2267 weight 1.00000E+00 volume -1.05304E+03 ppm1 7.845 ppm2 4.293
ASSI { 2269}
(( segid " A" and resid 170 and name HA ))
(( segid " A" and resid 170 and name HN ))
2.854 1.134 1.427 peak 2269 weight 1.00000E+00 volume -1.30696E+06 ppm1 7.846 ppm2 4.630
ASSI { 2270}
(( segid " A" and resid 170 and name HN ))
(( segid " A" and resid 132 and name HA ))
3.554 1.777 1.777 peak 2270 weight 1.00000E+00 volume -3.50674E+05 ppm1 7.844 ppm2 4.781
ASSI { 2271}
(( segid " A" and resid 171 and name HN ))
(( segid " A" and resid 170 and name HN ))
3.774 1.887 1.887 peak 2271 weight 1.00000E+00 volume -2.44469E+05 ppm1 7.851 ppm2 8.655
ASSI { 2272}
(( segid " A" and resid 171 and name HN ))
(( segid " A" and resid 170 and name HN ))
4.331 2.166 2.166 peak 2272 weight 1.00000E+00 volume -1.06974E+05 ppm1 8.663 ppm2 7.837
ASSI { 2273}
(( segid " A" and resid 171 and name HN ))
(( segid " A" and resid 132 and name HA ))
3.412 1.692 1.706 peak 2273 weight 1.00000E+00 volume -4.47323E+05 ppm1 8.652 ppm2 4.769
ASSI { 2274}
(( segid " A" and resid 171 and name HA ))
(( segid " A" and resid 171 and name HN ))
3.669 1.835 1.835 peak 2274 weight 1.00000E+00 volume -2.89475E+05 ppm1 8.656 ppm2 4.310
ASSI { 2278}
(( segid " A" and resid 172 and name HN ))
( segid " A" and resid 133 and name HG1#)
2.850 1.130 1.425 peak 2278 weight 1.00000E+00 volume -1.31746E+06 ppm1 9.305 ppm2 0.966
ASSI { 2280}
(( segid " A" and resid 172 and name HN ))
( segid " A" and resid 154 and name HG1#)
3.877 1.938 1.938 peak 2280 weight 1.00000E+00 volume -2.08044E+05 ppm1 9.309 ppm2 1.190
ASSI { 2281}
(( segid " A" and resid 172 and name HN ))
(( segid " A" and resid 131 and name HB2 ))
3.527 1.763 1.763 peak 2281 weight 1.00000E+00 volume -3.67021E+05 ppm1 9.306 ppm2 1.758
ASSI { 2283}
(( segid " A" and resid 172 and name HN ))
(( segid " A" and resid 171 and name HB ))
2.875 1.155 1.437 peak 2283 weight 1.00000E+00 volume -1.25167E+06 ppm1 9.305 ppm2 1.888
ASSI { 2285}
(( segid " A" and resid 172 and name HN ))
(( segid " A" and resid 130 and name HB2 ))
3.668 1.834 1.834 peak 2285 weight 1.00000E+00 volume -1.43664E+04 ppm1 9.306 ppm2 2.025
ASSI { 2286}
(( segid " A" and resid 172 and name HN ))
(( segid " A" and resid 132 and name HA ))
3.128 1.408 1.564 peak 2286 weight 1.00000E+00 volume -5.35606E+04 ppm1 9.305 ppm2 4.791
ASSI { 2287}
(( segid " A" and resid 172 and name HA ))
(( segid " A" and resid 172 and name HN ))
4.130 2.065 2.065 peak 2287 weight 1.00000E+00 volume -1.42377E+05 ppm1 9.308 ppm2 4.975
ASSI { 2288}
(( segid " A" and resid 172 and name HN ))
(( segid " A" and resid 130 and name HA ))
3.150 1.430 1.575 peak 2288 weight 1.00000E+00 volume -7.22345E+05 ppm1 9.308 ppm2 5.471
ASSI { 2289}
(( segid " A" and resid 173 and name HN ))
(( segid " A" and resid 172 and name HN ))
5.866 2.933 2.134 peak 2289 weight 1.00000E+00 volume -1.73362E+04 ppm1 9.308 ppm2 8.787
ASSI { 2290}
(( segid " A" and resid 131 and name HN ))
(( segid " A" and resid 172 and name HN ))
4.137 2.069 2.069 peak 2290 weight 1.00000E+00 volume -9.82563E+03 ppm1 9.305 ppm2 8.947
ASSI { 2292}
(( segid " A" and resid 174 and name HN ))
( segid " A" and resid 129 and name HG2#)
3.023 1.303 1.511 peak 2292 weight 1.00000E+00 volume -5.78142E+04 ppm1 8.978 ppm2 0.699
ASSI { 2295}
(( segid " A" and resid 174 and name HN ))
( segid " A" and resid 182 and name HD1#)
3.191 1.471 1.595 peak 2295 weight 1.00000E+00 volume -6.69205E+05 ppm1 8.977 ppm2 1.004
ASSI { 2296}
(( segid " A" and resid 174 and name HN ))
(( segid " A" and resid 130 and name HB1 ))
4.869 2.434 2.434 peak 2296 weight 1.00000E+00 volume -5.30144E+04 ppm1 8.981 ppm2 1.885
ASSI { 2297}
(( segid " A" and resid 174 and name HN ))
(( segid " A" and resid 173 and name HB ))
4.869 2.434 2.434 peak 2297 weight 1.00000E+00 volume -6.61609E+02 ppm1 8.980 ppm2 1.896
ASSI { 2298}
(( segid " A" and resid 174 and name HN ))
(( segid " A" and resid 130 and name HB2 ))
5.047 2.523 2.523 peak 2298 weight 1.00000E+00 volume -1.13525E+03 ppm1 8.982 ppm2 2.018
ASSI { 2299}
(( segid " A" and resid 174 and name HN ))
(( segid " A" and resid 174 and name HA ))
3.366 1.646 1.683 peak 2299 weight 1.00000E+00 volume -1.58282E+04 ppm1 8.974 ppm2 4.609
ASSI { 2302}
(( segid " A" and resid 174 and name HN ))
(( segid " A" and resid 173 and name HA ))
2.830 1.110 1.415 peak 2302 weight 1.00000E+00 volume -8.81937E+04 ppm1 8.975 ppm2 4.705
ASSI { 2303}
(( segid " A" and resid 174 and name HN ))
(( segid " A" and resid 175 and name HA ))
3.476 1.738 1.738 peak 2303 weight 1.00000E+00 volume -1.71692E+04 ppm1 8.972 ppm2 4.800
ASSI { 2304}
(( segid " A" and resid 174 and name HN ))
(( segid " A" and resid 130 and name HA ))
3.826 1.913 1.913 peak 2304 weight 1.00000E+00 volume -1.44348E+04 ppm1 8.973 ppm2 5.473
ASSI { 2305}
(( segid " A" and resid 174 and name HN ))
(( segid " A" and resid 130 and name HN ))
5.227 2.613 2.613 peak 2305 weight 1.00000E+00 volume -1.45381E+03 ppm1 8.995 ppm2 8.030
ASSI { 2306}
(( segid " A" and resid 174 and name HN ))
(( segid " A" and resid 182 and name HN ))
3.911 1.956 1.956 peak 2306 weight 1.00000E+00 volume -1.73560E+04 ppm1 8.982 ppm2 8.478
ASSI { 2307}
(( segid " A" and resid 174 and name HN ))
(( segid " A" and resid 173 and name HN ))
3.933 1.967 1.967 peak 2307 weight 1.00000E+00 volume -1.25466E+04 ppm1 8.978 ppm2 8.808
ASSI { 2308}
(( segid " A" and resid 174 and name HN ))
(( segid " A" and resid 175 and name HN ))
3.436 1.716 1.718 peak 2308 weight 1.00000E+00 volume -1.38228E+04 ppm1 8.974 ppm2 8.884
ASSI { 2311}
(( segid " A" and resid 175 and name HN ))
(( segid " A" and resid 181 and name HN ))
6.344 3.172 1.656 peak 2311 weight 1.00000E+00 volume -7.72824E+03 ppm1 8.869 ppm2 8.626
ASSI { 2312}
(( segid " A" and resid 182 and name HN ))
(( segid " A" and resid 175 and name HN ))
4.451 2.226 2.226 peak 2312 weight 1.00000E+00 volume 1.11116E+04 ppm1 8.884 ppm2 8.454
ASSI { 2313}
(( segid " A" and resid 175 and name HN ))
(( segid " A" and resid 179 and name HN ))
5.096 2.548 2.548 peak 2313 weight 1.00000E+00 volume -4.73859E+03 ppm1 8.873 ppm2 8.148
ASSI { 2315}
(( segid " A" and resid 175 and name HN ))
(( segid " A" and resid 175 and name HA ))
3.120 1.400 1.560 peak 2315 weight 1.00000E+00 volume -2.92839E+04 ppm1 8.874 ppm2 4.806
ASSI { 2316}
(( segid " A" and resid 175 and name HN ))
(( segid " A" and resid 181 and name HA ))
2.953 1.233 1.476 peak 2316 weight 1.00000E+00 volume -3.91211E+04 ppm1 8.880 ppm2 4.624
ASSI { 2317}
(( segid " A" and resid 175 and name HN ))
(( segid " A" and resid 174 and name HA ))
2.969 1.249 1.484 peak 2317 weight 1.00000E+00 volume -1.03172E+06 ppm1 8.879 ppm2 4.608
ASSI { 2319}
(( segid " A" and resid 175 and name HN ))
(( segid " A" and resid 179 and name HA1 ))
5.507 2.753 2.493 peak 2319 weight 1.00000E+00 volume 2.53242E+04 ppm1 8.872 ppm2 3.924
ASSI { 2320}
(( segid " A" and resid 175 and name HN ))
(( segid " A" and resid 174 and name HB ))
3.355 1.635 1.678 peak 2320 weight 1.00000E+00 volume -2.35140E+04 ppm1 8.883 ppm2 1.538
ASSI { 2321}
(( segid " A" and resid 175 and name HN ))
( segid " A" and resid 128 and name HG2#)
3.080 1.360 1.540 peak 2321 weight 1.00000E+00 volume -3.74281E+04 ppm1 8.878 ppm2 0.963
ASSI { 2324}
(( segid " A" and resid 176 and name HN ))
(( segid " A" and resid 174 and name HB ))
4.394 2.197 2.197 peak 2324 weight 1.00000E+00 volume -3.31345E+03 ppm1 8.280 ppm2 1.536
ASSI { 2325}
(( segid " A" and resid 176 and name HN ))
(( segid " A" and resid 127 and name HA ))
3.470 1.735 1.735 peak 2325 weight 1.00000E+00 volume -2.63376E+04 ppm1 8.276 ppm2 3.770
ASSI { 2326}
(( segid " A" and resid 176 and name HN ))
(( segid " A" and resid 128 and name HN ))
4.100 2.050 2.050 peak 2326 weight 1.00000E+00 volume 8.59691E+03 ppm1 8.274 ppm2 7.417
ASSI { 2327}
(( segid " A" and resid 176 and name HN ))
(( segid " A" and resid 179 and name HN ))
3.425 1.705 1.712 peak 2327 weight 1.00000E+00 volume -1.14660E+04 ppm1 8.270 ppm2 8.149
ASSI { 2328}
(( segid " A" and resid 176 and name HN ))
(( segid " A" and resid 177 and name HN ))
3.625 1.812 1.812 peak 2328 weight 1.00000E+00 volume -2.61806E+04 ppm1 8.273 ppm2 8.844
ASSI { 2329}
(( segid " A" and resid 179 and name HN ))
(( segid " A" and resid 177 and name HN ))
4.154 2.077 2.077 peak 2329 weight 1.00000E+00 volume -8.74721E+03 ppm1 8.837 ppm2 8.146
ASSI { 2330}
(( segid " A" and resid 178 and name HN ))
(( segid " A" and resid 177 and name HN ))
4.102 2.051 2.051 peak 2330 weight 1.00000E+00 volume -1.48290E+05 ppm1 8.844 ppm2 7.070
ASSI { 2331}
(( segid " A" and resid 177 and name HN ))
(( segid " A" and resid 128 and name HA ))
5.174 2.587 2.587 peak 2331 weight 1.00000E+00 volume -3.68225E+04 ppm1 8.848 ppm2 5.446
ASSI { 2332}
(( segid " A" and resid 177 and name HN ))
(( segid " A" and resid 175 and name HA ))
2.961 1.241 1.480 peak 2332 weight 1.00000E+00 volume -4.04637E+04 ppm1 8.835 ppm2 4.812
ASSI { 2333}
(( segid " A" and resid 177 and name HN ))
(( segid " A" and resid 176 and name HB ))
2.984 1.264 1.492 peak 2333 weight 1.00000E+00 volume -6.37978E+04 ppm1 8.839 ppm2 3.757
ASSI { 2335}
(( segid " A" and resid 177 and name HN ))
(( segid " A" and resid 176 and name HA ))
4.550 2.275 2.275 peak 2335 weight 1.00000E+00 volume -7.96332E+04 ppm1 8.836 ppm2 2.873
ASSI { 2336}
(( segid " A" and resid 178 and name HB2 ))
(( segid " A" and resid 177 and name HN ))
4.777 2.389 2.389 peak 2336 weight 1.00000E+00 volume -5.94148E+04 ppm1 8.841 ppm2 2.444
ASSI { 2337}
(( segid " A" and resid 177 and name HN ))
(( segid " A" and resid 127 and name HB2 ))
4.719 2.360 2.360 peak 2337 weight 1.00000E+00 volume -9.64431E+03 ppm1 8.843 ppm2 1.841
ASSI { 2338}
( segid " A" and resid 174 and name HG2#)
(( segid " A" and resid 177 and name HN ))
4.458 2.229 2.229 peak 2338 weight 1.00000E+00 volume -6.40282E+03 ppm1 8.842 ppm2 0.712
ASSI { 2339}
(( segid " A" and resid 178 and name HB2 ))
(( segid " A" and resid 178 and name HN ))
4.401 2.201 2.201 peak 2339 weight 1.00000E+00 volume -5.06677E+03 ppm1 7.084 ppm2 2.433
ASSI { 2340}
(( segid " A" and resid 178 and name HB1 ))
(( segid " A" and resid 178 and name HN ))
4.004 2.002 2.002 peak 2340 weight 1.00000E+00 volume -7.56541E+03 ppm1 7.068 ppm2 3.069
ASSI { 2341}
(( segid " A" and resid 178 and name HN ))
(( segid " A" and resid 175 and name HB2 ))
4.057 2.029 2.029 peak 2341 weight 1.00000E+00 volume -1.14092E+04 ppm1 7.065 ppm2 3.157
ASSI { 2342}
(( segid " A" and resid 178 and name HN ))
(( segid " A" and resid 177 and name HA2 ))
4.087 2.043 2.043 peak 2342 weight 1.00000E+00 volume -1.04408E+04 ppm1 7.072 ppm2 3.736
ASSI { 2343}
(( segid " A" and resid 178 and name HN ))
(( segid " A" and resid 177 and name HA1 ))
4.042 2.021 2.021 peak 2343 weight 1.00000E+00 volume -1.14954E+04 ppm1 7.079 ppm2 3.905
ASSI { 2344}
(( segid " A" and resid 179 and name HA1 ))
(( segid " A" and resid 178 and name HN ))
4.042 2.021 2.021 peak 2344 weight 1.00000E+00 volume -1.61990E+05 ppm1 7.079 ppm2 3.921
ASSI { 2345}
(( segid " A" and resid 179 and name HA2 ))
(( segid " A" and resid 178 and name HN ))
4.888 2.444 2.444 peak 2345 weight 1.00000E+00 volume -5.17841E+04 ppm1 7.084 ppm2 4.352
ASSI { 2346}
(( segid " A" and resid 178 and name HN ))
(( segid " A" and resid 178 and name HA ))
2.848 1.128 1.424 peak 2346 weight 1.00000E+00 volume -1.32361E+06 ppm1 7.078 ppm2 4.742
ASSI { 2348}
(( segid " A" and resid 180 and name HN ))
(( segid " A" and resid 178 and name HN ))
4.012 2.006 2.006 peak 2348 weight 1.00000E+00 volume -1.69294E+05 ppm1 7.082 ppm2 8.105
ASSI { 2349}
(( segid " A" and resid 176 and name HN ))
(( segid " A" and resid 178 and name HN ))
3.941 1.970 1.970 peak 2349 weight 1.00000E+00 volume -1.88603E+05 ppm1 7.082 ppm2 8.270
ASSI { 2350}
(( segid " A" and resid 178 and name HN ))
(( segid " A" and resid 177 and name HN ))
4.149 2.074 2.074 peak 2350 weight 1.00000E+00 volume -1.38471E+05 ppm1 7.082 ppm2 8.840
ASSI { 2351}
(( segid " A" and resid 179 and name HN ))
(( segid " A" and resid 177 and name HN ))
4.160 2.080 2.080 peak 2351 weight 1.00000E+00 volume -5.91226E+03 ppm1 8.149 ppm2 8.837
ASSI { 2352}
(( segid " A" and resid 175 and name HN ))
(( segid " A" and resid 179 and name HN ))
4.079 2.039 2.039 peak 2352 weight 1.00000E+00 volume -1.53395E+05 ppm1 8.146 ppm2 8.878
ASSI { 2353}
(( segid " A" and resid 176 and name HN ))
(( segid " A" and resid 179 and name HN ))
3.636 1.818 1.818 peak 2353 weight 1.00000E+00 volume -5.51507E+03 ppm1 8.147 ppm2 8.273
ASSI { 2354}
(( segid " A" and resid 179 and name HN ))
(( segid " A" and resid 180 and name HN ))
2.809 1.089 1.405 peak 2354 weight 1.00000E+00 volume -9.01594E+04 ppm1 8.150 ppm2 8.104
ASSI { 2356}
(( segid " A" and resid 179 and name HN ))
(( segid " A" and resid 178 and name HA ))
2.740 1.020 1.370 peak 2356 weight 1.00000E+00 volume -1.66765E+06 ppm1 8.155 ppm2 4.741
ASSI { 2360}
(( segid " A" and resid 179 and name HN ))
(( segid " A" and resid 177 and name HA1 ))
3.119 1.399 1.559 peak 2360 weight 1.00000E+00 volume -7.67489E+05 ppm1 8.150 ppm2 3.911
ASSI { 2361}
(( segid " A" and resid 179 and name HN ))
(( segid " A" and resid 177 and name HA2 ))
3.754 1.877 1.877 peak 2361 weight 1.00000E+00 volume -2.52138E+05 ppm1 8.152 ppm2 3.743
ASSI { 2362}
(( segid " A" and resid 179 and name HN ))
(( segid " A" and resid 176 and name HA ))
4.169 2.085 2.085 peak 2362 weight 1.00000E+00 volume -1.34472E+05 ppm1 8.142 ppm2 2.879
ASSI { 2363}
(( segid " A" and resid 179 and name HN ))
(( segid " A" and resid 178 and name HB2 ))
4.445 2.222 2.222 peak 2363 weight 1.00000E+00 volume -9.15831E+04 ppm1 8.157 ppm2 2.449
ASSI { 2364}
(( segid " A" and resid 180 and name HN ))
( segid " A" and resid 182 and name HD1#)
4.113 2.056 2.056 peak 2364 weight 1.00000E+00 volume -1.45983E+05 ppm1 8.102 ppm2 1.005
ASSI { 2365}
(( segid " A" and resid 180 and name HN ))
(( segid " A" and resid 178 and name HB1 ))
4.414 2.207 2.207 peak 2365 weight 1.00000E+00 volume -9.55495E+04 ppm1 8.102 ppm2 3.060
ASSI { 2366}
(( segid " A" and resid 180 and name HN ))
(( segid " A" and resid 180 and name HA ))
2.970 1.250 1.485 peak 2366 weight 1.00000E+00 volume -1.02897E+06 ppm1 8.097 ppm2 4.600
ASSI { 2368}
(( segid " A" and resid 180 and name HN ))
(( segid " A" and resid 178 and name HN ))
4.791 2.395 2.395 peak 2368 weight 1.00000E+00 volume 5.84161E+04 ppm1 8.100 ppm2 7.088
ASSI { 2369}
(( segid " A" and resid 179 and name HN ))
(( segid " A" and resid 180 and name HN ))
2.599 0.879 1.300 peak 2369 weight 1.00000E+00 volume -2.29057E+06 ppm1 8.103 ppm2 8.151
ASSI { 2370}
(( segid " A" and resid 180 and name HN ))
(( segid " A" and resid 181 and name HN ))
4.413 2.206 2.206 peak 2370 weight 1.00000E+00 volume -5.14905E+03 ppm1 8.096 ppm2 8.624
ASSI { 2371}
(( segid " A" and resid 175 and name HN ))
(( segid " A" and resid 181 and name HN ))
4.347 2.173 2.173 peak 2371 weight 1.00000E+00 volume -4.17513E+03 ppm1 8.619 ppm2 8.891
ASSI { 2372}
(( segid " A" and resid 182 and name HN ))
(( segid " A" and resid 181 and name HN ))
4.343 2.172 2.172 peak 2372 weight 1.00000E+00 volume -1.05203E+05 ppm1 8.615 ppm2 8.492
ASSI { 2374}
(( segid " A" and resid 181 and name HN ))
(( segid " A" and resid 180 and name HA ))
2.990 1.270 1.495 peak 2374 weight 1.00000E+00 volume -9.88357E+05 ppm1 8.624 ppm2 4.598
ASSI { 2375}
(( segid " A" and resid 180 and name HB2 ))
(( segid " A" and resid 181 and name HN ))
3.904 1.952 1.952 peak 2375 weight 1.00000E+00 volume -1.99394E+05 ppm1 8.618 ppm2 3.842
ASSI { 2377}
( segid " A" and resid 174 and name HG2#)
(( segid " A" and resid 181 and name HN ))
3.888 1.944 1.944 peak 2377 weight 1.00000E+00 volume -2.04325E+05 ppm1 8.620 ppm2 0.715
ASSI { 2378}
(( segid " A" and resid 182 and name HN ))
(( segid " A" and resid 182 and name HB ))
3.919 1.960 1.960 peak 2378 weight 1.00000E+00 volume -1.94933E+05 ppm1 8.478 ppm2 1.796
ASSI { 2379}
(( segid " A" and resid 182 and name HN ))
(( segid " A" and resid 173 and name HB ))
3.824 1.912 1.912 peak 2379 weight 1.00000E+00 volume -2.25875E+05 ppm1 8.480 ppm2 1.890
ASSI { 2380}
(( segid " A" and resid 182 and name HN ))
(( segid " A" and resid 181 and name HB1 ))
5.080 2.540 2.540 peak 2380 weight 1.00000E+00 volume -4.11004E+04 ppm1 8.474 ppm2 2.987
ASSI { 2381}
(( segid " A" and resid 182 and name HN ))
(( segid " A" and resid 181 and name HB2 ))
4.508 2.254 2.254 peak 2381 weight 1.00000E+00 volume -8.41459E+04 ppm1 8.470 ppm2 3.095
ASSI { 2382}
(( segid " A" and resid 182 and name HN ))
(( segid " A" and resid 174 and name HA ))
3.393 1.673 1.697 peak 2382 weight 1.00000E+00 volume -4.62694E+05 ppm1 8.465 ppm2 4.604
ASSI { 2383}
(( segid " A" and resid 182 and name HN ))
(( segid " A" and resid 181 and name HA ))
3.420 1.700 1.710 peak 2383 weight 1.00000E+00 volume -4.41354E+05 ppm1 8.469 ppm2 4.622
ASSI { 2385}
(( segid " A" and resid 182 and name HN ))
(( segid " A" and resid 181 and name HN ))
4.183 2.091 2.091 peak 2385 weight 1.00000E+00 volume -1.31847E+05 ppm1 8.467 ppm2 8.625
ASSI { 2386}
(( segid " A" and resid 182 and name HN ))
(( segid " A" and resid 173 and name HN ))
4.374 2.187 2.187 peak 2386 weight 1.00000E+00 volume -2.24285E+03 ppm1 8.460 ppm2 8.801
# Restraints file 4: d2onoesy.tbl
ASSI { 1}
(( segid " A" and resid 21 and name HA ))
(( segid " A" and resid 12 and name HA ))
3.074 1.354 1.537 peak 1 weight 1.00000E+00 volume 1.66786E+06 ppm1 5.673 ppm2 5.245
ASSI { 13}
(( segid " A" and resid 53 and name HA ))
(( segid " A" and resid 38 and name HA ))
3.072 1.352 1.536 peak 13 weight 1.00000E+00 volume 1.67250E+06 ppm1 5.218 ppm2 4.941
ASSI { 14}
(( segid " A" and resid 128 and name HA ))
(( segid " A" and resid 175 and name HA ))
3.215 1.495 1.608 peak 14 weight 1.00000E+00 volume 1.27354E+06 ppm1 5.458 ppm2 4.833
ASSI { 15}
(( segid " A" and resid 51 and name HA ))
(( segid " A" and resid 40 and name HA ))
2.863 1.143 1.431 peak 15 weight 1.00000E+00 volume 2.55588E+06 ppm1 5.212 ppm2 4.783
ASSI { 18}
(( segid " A" and resid 130 and name HA ))
(( segid " A" and resid 173 and name HA ))
3.423 1.703 1.711 peak 18 weight 1.00000E+00 volume 1.15750E+05 ppm1 5.518 ppm2 4.740
ASSI { 19}
(( segid " A" and resid 19 and name HA ))
(( segid " A" and resid 14 and name HA ))
3.147 1.427 1.573 peak 19 weight 1.00000E+00 volume 1.99270E+05 ppm1 5.627 ppm2 5.120
ASSI { 23}
(( segid " A" and resid 79 and name HA ))
(( segid " A" and resid 94 and name HA ))
3.864 1.932 1.932 peak 23 weight 1.00000E+00 volume 9.86460E+04 ppm1 5.146 ppm2 5.286
ASSI { 27}
(( segid " A" and resid 112 and name HA ))
(( segid " A" and resid 69 and name HA ))
3.457 1.728 1.728 peak 27 weight 1.00000E+00 volume 1.19488E+05 ppm1 5.060 ppm2 4.656
ASSI { 29}
(( segid " A" and resid 92 and name HA ))
(( segid " A" and resid 81 and name HA ))
3.220 1.500 1.610 peak 29 weight 1.00000E+00 volume 1.26131E+06 ppm1 5.619 ppm2 4.466
ASSI { 32}
(( segid " A" and resid 91 and name HB ))
(( segid " A" and resid 82 and name HB1 ))
3.211 1.491 1.605 peak 32 weight 1.00000E+00 volume 1.28407E+06 ppm1 3.737 ppm2 2.972
ASSI { 34}
( segid " A" and resid 129 and name HG1#)
(( segid " A" and resid 104 and name HB2 ))
3.624 1.812 1.812 peak 34 weight 1.00000E+00 volume 6.21354E+05 ppm1 3.160 ppm2 0.861
ASSI { 35}
(( segid " A" and resid 166 and name HB ))
(( segid " A" and resid 162 and name HB ))
2.750 1.030 1.375 peak 35 weight 1.00000E+00 volume 3.25222E+06 ppm1 1.698 ppm2 2.237
ASSI { 36}
( segid " A" and resid 166 and name HG1#)
(( segid " A" and resid 162 and name HB ))
3.580 1.790 1.790 peak 36 weight 1.00000E+00 volume 6.67926E+05 ppm1 2.263 ppm2 0.645
ASSI { 39}
(( segid " A" and resid 11 and name HB2 ))
( segid " A" and resid 7 and name HD# )
3.536 1.768 1.768 peak 39 weight 1.00000E+00 volume 1.01558E+05 ppm1 1.379 ppm2 6.703
ASSI { 43}
( segid " A" and resid 7 and name HD# )
(( segid " A" and resid 4 and name HA ))
4.342 2.171 2.171 peak 43 weight 1.00000E+00 volume 2.69840E+04 ppm1 6.740 ppm2 4.447
ASSI { 47}
(( segid " A" and resid 8 and name HN ))
( segid " A" and resid 7 and name HD# )
3.063 1.343 1.532 peak 47 weight 1.00000E+00 volume 2.39724E+05 ppm1 6.753 ppm2 6.144
ASSI { 50}
( segid " A" and resid 54 and name HE# )
( segid " A" and resid 7 and name HD# )
3.677 1.838 1.838 peak 50 weight 1.00000E+00 volume 5.69654E+05 ppm1 7.167 ppm2 6.761
ASSI { 51}
( segid " A" and resid 54 and name HE# )
( segid " A" and resid 7 and name HE# )
4.659 2.330 2.330 peak 51 weight 1.00000E+00 volume 1.37526E+05 ppm1 7.160 ppm2 6.593
ASSI { 53}
( segid " A" and resid 7 and name HD# )
(( segid " A" and resid 37 and name HB ))
4.719 2.360 2.360 peak 53 weight 1.00000E+00 volume 1.27360E+05 ppm1 1.673 ppm2 6.731
ASSI { 54}
( segid " A" and resid 37 and name HG1#)
(( segid " A" and resid 7 and name HB1 ))
4.747 2.373 2.373 peak 54 weight 1.00000E+00 volume 1.98440E+04 ppm1 0.549 ppm2 2.304
ASSI { 55}
( segid " A" and resid 54 and name HE# )
(( segid " A" and resid 52 and name HB2 ))
3.680 1.840 1.840 peak 55 weight 1.00000E+00 volume 5.66664E+05 ppm1 1.914 ppm2 7.180
ASSI { 62}
( segid " A" and resid 18 and name HB# )
(( segid " A" and resid 16 and name HB2 ))
3.819 1.909 1.909 peak 62 weight 1.00000E+00 volume 6.65440E+04 ppm1 1.106 ppm2 2.864
ASSI { 65}
(( segid " A" and resid 89 and name HB2 ))
(( segid " A" and resid 84 and name HB2 ))
3.005 1.285 1.502 peak 65 weight 1.00000E+00 volume 1.37320E+05 ppm1 1.995 ppm2 2.520
ASSI { 66}
( segid " A" and resid 123 and name HG1#)
(( segid " A" and resid 97 and name HB2 ))
3.930 1.965 1.965 peak 66 weight 1.00000E+00 volume 3.81684E+05 ppm1 0.569 ppm2 3.070
ASSI { 67}
( segid " A" and resid 123 and name HG1#)
(( segid " A" and resid 97 and name HB2 ))
4.249 2.124 2.124 peak 67 weight 1.00000E+00 volume 2.39114E+05 ppm1 3.100 ppm2 0.557
ASSI { 71}
( segid " A" and resid 82 and name HD# )
(( segid " A" and resid 71 and name HA ))
3.941 1.970 1.970 peak 71 weight 1.00000E+00 volume 4.10900E+04 ppm1 5.203 ppm2 7.041
ASSI { 73}
(( segid " A" and resid 74 and name HB1 ))
( segid " A" and resid 73 and name HD1#)
4.390 2.195 2.195 peak 73 weight 1.00000E+00 volume 2.44340E+04 ppm1 2.876 ppm2 1.120
ASSI { 74}
(( segid " A" and resid 107 and name HB2 ))
(( segid " A" and resid 74 and name HB1 ))
4.181 2.091 2.091 peak 74 weight 1.00000E+00 volume 2.86740E+04 ppm1 1.869 ppm2 2.835
ASSI { 76}
(( segid " A" and resid 105 and name HB2 ))
(( segid " A" and resid 101 and name HB2 ))
3.524 1.762 1.762 peak 76 weight 1.00000E+00 volume 1.07858E+05 ppm1 1.230 ppm2 2.240
ASSI { 77}
( segid " A" and resid 121 and name HG2#)
(( segid " A" and resid 114 and name HB2 ))
3.865 1.933 1.933 peak 77 weight 1.00000E+00 volume 5.74400E+04 ppm1 0.942 ppm2 2.226
ASSI { 78}
(( segid " A" and resid 122 and name HA1 ))
(( segid " A" and resid 114 and name HB2 ))
4.464 2.232 2.232 peak 78 weight 1.00000E+00 volume 2.15560E+04 ppm1 4.100 ppm2 2.243
ASSI { 81}
(( segid " A" and resid 131 and name HB2 ))
(( segid " A" and resid 154 and name HB ))
1.886 0.166 0.943 peak 81 weight 1.00000E+00 volume 3.12230E+07 ppm1 1.755 ppm2 1.953
ASSI { 82}
( segid " A" and resid 156 and name HG2#)
(( segid " A" and resid 104 and name HB2 ))
4.261 2.131 2.131 peak 82 weight 1.00000E+00 volume 2.35084E+05 ppm1 3.134 ppm2 1.139
ASSI { 85}
(( segid " A" and resid 103 and name HA ))
(( segid " A" and resid 103 and name HB2 ))
4.249 2.124 2.124 peak 85 weight 1.00000E+00 volume 2.39140E+05 ppm1 2.901 ppm2 3.998
ASSI { 88}
(( segid " A" and resid 128 and name HB ))
(( segid " A" and resid 182 and name HB ))
4.279 2.139 2.139 peak 88 weight 1.00000E+00 volume 2.29254E+05 ppm1 1.808 ppm2 3.922
ASSI { 91}
(( segid " A" and resid 155 and name HB2 ))
(( segid " A" and resid 132 and name HB ))
3.415 1.695 1.708 peak 91 weight 1.00000E+00 volume 8.86414E+05 ppm1 2.029 ppm2 4.277
ASSI { 94}
( segid " A" and resid 156 and name HG2#)
(( segid " A" and resid 154 and name HB ))
4.475 2.238 2.238 peak 94 weight 1.00000E+00 volume 1.75186E+05 ppm1 1.967 ppm2 1.171
ASSI { 95}
(( segid " A" and resid 161 and name HB2 ))
(( segid " A" and resid 149 and name HB ))
3.871 1.935 1.935 peak 95 weight 1.00000E+00 volume 4.18330E+05 ppm1 3.944 ppm2 2.647
ASSI { 96}
(( segid " A" and resid 181 and name HB2 ))
( segid " A" and resid 162 and name HG1#)
4.464 2.232 2.232 peak 96 weight 1.00000E+00 volume 1.77712E+05 ppm1 3.073 ppm2 0.543
ASSI { 97}
( segid " A" and resid 162 and name HG1#)
(( segid " A" and resid 136 and name HB ))
4.226 2.113 2.113 peak 97 weight 1.00000E+00 volume 2.47070E+05 ppm1 4.315 ppm2 0.555
ASSI { 99}
(( segid " A" and resid 163 and name HB2 ))
( segid " A" and resid 149 and name HG2#)
3.652 1.826 1.826 peak 99 weight 1.00000E+00 volume 5.98700E+04 ppm1 2.007 ppm2 0.832
ASSI { 100}
(( segid " A" and resid 150 and name HA ))
(( segid " A" and resid 150 and name HB2 ))
3.268 1.548 1.634 peak 100 weight 1.00000E+00 volume 1.41042E+05 ppm1 1.691 ppm2 4.711
ASSI { 101}
( segid " A" and resid 166 and name HG1#)
(( segid " A" and resid 136 and name HB ))
3.582 1.791 1.791 peak 101 weight 1.00000E+00 volume 7.83640E+04 ppm1 4.305 ppm2 0.683
ASSI { 102}
(( segid " A" and resid 174 and name HB ))
(( segid " A" and resid 104 and name HB2 ))
3.860 1.930 1.930 peak 102 weight 1.00000E+00 volume 4.07680E+04 ppm1 1.531 ppm2 3.160
ASSI { 110}
(( segid " A" and resid 83 and name HA ))
(( segid " A" and resid 90 and name HA ))
3.335 1.615 1.668 peak 110 weight 1.00000E+00 volume 1.02257E+06 ppm1 5.481 ppm2 5.172
ASSI { 113}
(( segid " A" and resid 36 and name HA ))
(( segid " A" and resid 55 and name HA ))
3.240 1.520 1.620 peak 113 weight 1.00000E+00 volume 1.21549E+06 ppm1 5.195 ppm2 4.392
ASSI { 114}
(( segid " A" and resid 115 and name HA ))
(( segid " A" and resid 120 and name HA ))
2.921 1.201 1.461 peak 114 weight 1.00000E+00 volume 2.26375E+06 ppm1 5.367 ppm2 4.165
ASSI { 115}
(( segid " A" and resid 20 and name HA ))
(( segid " A" and resid 43 and name HA ))
3.590 1.795 1.795 peak 115 weight 1.00000E+00 volume 6.57754E+05 ppm1 5.578 ppm2 3.947
ASSI { 116}
(( segid " A" and resid 41 and name HA ))
(( segid " A" and resid 22 and name HA ))
3.425 1.705 1.713 peak 116 weight 1.00000E+00 volume 1.11542E+05 ppm1 5.343 ppm2 3.992
ASSI { 117}
(( segid " A" and resid 39 and name HA ))
(( segid " A" and resid 25 and name HA ))
2.713 0.993 1.357 peak 117 weight 1.00000E+00 volume 3.84288E+05 ppm1 5.449 ppm2 5.385
ASSI { 118}
(( segid " A" and resid 49 and name HA ))
(( segid " A" and resid 42 and name HA ))
3.056 1.336 1.528 peak 118 weight 1.00000E+00 volume 1.16896E+05 ppm1 5.410 ppm2 5.348
ASSI { 119}
(( segid " A" and resid 19 and name HA ))
(( segid " A" and resid 14 and name HA ))
3.889 1.944 1.944 peak 119 weight 1.00000E+00 volume 4.55320E+04 ppm1 5.609 ppm2 5.089
ASSI { 120}
(( segid " A" and resid 79 and name HA ))
(( segid " A" and resid 94 and name HA ))
2.513 0.793 1.257 peak 120 weight 1.00000E+00 volume 5.58315E+06 ppm1 5.256 ppm2 5.188
ASSI { 122}
(( segid " A" and resid 161 and name HA ))
(( segid " A" and resid 151 and name HA ))
3.780 1.890 1.890 peak 122 weight 1.00000E+00 volume 4.82680E+05 ppm1 5.326 ppm2 4.697
ASSI { 125}
(( segid " A" and resid 90 and name HA ))
(( segid " A" and resid 81 and name HA ))
4.513 2.256 2.256 peak 125 weight 1.00000E+00 volume 1.66628E+05 ppm1 5.441 ppm2 4.437
ASSI { 126}
(( segid " A" and resid 98 and name HN ))
(( segid " A" and resid 99 and name HN ))
2.707 0.987 1.353 peak 126 weight 1.00000E+00 volume 4.81894E+05 ppm1 7.436 ppm2 7.214
ASSI { 127}
( segid " A" and resid 54 and name HD# )
( segid " A" and resid 7 and name HE# )
4.914 2.457 2.457 peak 127 weight 1.00000E+00 volume 9.99740E+04 ppm1 7.027 ppm2 6.587
ASSI { 128}
(( segid " A" and resid 70 and name HA ))
(( segid " A" and resid 84 and name HA ))
4.908 2.454 2.454 peak 128 weight 1.00000E+00 volume 1.00660E+05 ppm1 5.169 ppm2 4.673
ASSI { 130}
(( segid " A" and resid 13 and name HA ))
(( segid " A" and resid 62 and name HA ))
4.330 2.165 2.165 peak 130 weight 1.00000E+00 volume 2.13390E+05 ppm1 5.051 ppm2 4.606
ASSI { 133}
(( segid " A" and resid 181 and name HA ))
(( segid " A" and resid 174 and name HA ))
3.332 1.612 1.666 peak 133 weight 1.00000E+00 volume 1.37784E+05 ppm1 4.604 ppm2 4.631
ASSI { 135}
(( segid " A" and resid 171 and name HA ))
(( segid " A" and resid 132 and name HA ))
4.031 2.016 2.016 peak 135 weight 1.00000E+00 volume 5.20800E+04 ppm1 4.310 ppm2 4.801
ASSI { 136}
(( segid " A" and resid 152 and name HA ))
(( segid " A" and resid 136 and name HA ))
3.944 1.972 1.972 peak 136 weight 1.00000E+00 volume 5.42320E+04 ppm1 4.346 ppm2 4.925
ASSI { 139}
(( segid " A" and resid 22 and name HA ))
(( segid " A" and resid 41 and name HB2 ))
4.403 2.202 2.202 peak 139 weight 1.00000E+00 volume 1.74360E+04 ppm1 3.982 ppm2 1.587
ASSI { 140}
(( segid " A" and resid 102 and name HB2 ))
(( segid " A" and resid 99 and name HA ))
5.140 2.570 2.570 peak 140 weight 1.00000E+00 volume 5.40400E+03 ppm1 3.867 ppm2 1.518
ASSI { 142}
(( segid " A" and resid 105 and name HB2 ))
(( segid " A" and resid 102 and name HA ))
3.258 1.538 1.629 peak 142 weight 1.00000E+00 volume 1.17631E+06 ppm1 3.808 ppm2 1.209
ASSI { 143}
(( segid " A" and resid 169 and name HA1 ))
( segid " A" and resid 132 and name HG2#)
4.448 2.224 2.224 peak 143 weight 1.00000E+00 volume 1.81672E+05 ppm1 3.485 ppm2 1.096
ASSI { 144}
( segid " A" and resid 154 and name HG1#)
(( segid " A" and resid 133 and name HA ))
3.182 1.462 1.591 peak 144 weight 1.00000E+00 volume 1.35652E+06 ppm1 4.041 ppm2 1.193
ASSI { 145}
(( segid " A" and resid 169 and name HA2 ))
( segid " A" and resid 132 and name HG2#)
3.816 1.908 1.908 peak 145 weight 1.00000E+00 volume 4.55934E+05 ppm1 4.401 ppm2 1.084
ASSI { 146}
( segid " A" and resid 152 and name HB# )
(( segid " A" and resid 136 and name HB ))
3.210 1.490 1.605 peak 146 weight 1.00000E+00 volume 1.64992E+05 ppm1 4.312 ppm2 1.218