NMR Restraints Grid
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NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
620327 |
5ug3   |
30225 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | simple |
# Restraints file 1: design5_restraints
ASSI { 1}
(( segid " A" and resid 2 and name HN ))
(( segid " A" and resid 2 and name HA ))
2.408 0.725 0.725 peak 1 weight 1.00000E+00 volume 1.39313E+06 ppm1 8.793 ppm2 4.349
ASSI { 2}
(( segid " A" and resid 2 and name HN ))
(( segid " A" and resid 2 and name HD2 ))
4.282 2.292 2.292 peak 2 weight 1.00000E+00 volume 1.46712E+04 ppm1 8.791 ppm2 3.198
ASSI { 3}
(( segid " A" and resid 2 and name HN ))
(( segid " A" and resid 2 and name HB2 ))
2.540 0.806 0.806 peak 3 weight 1.00000E+00 volume 1.01064E+06 ppm1 8.789 ppm2 1.796
ASSI { 4}
(( segid " A" and resid 2 and name HN ))
(( segid " A" and resid 2 and name HB1 ))
3.143 1.235 1.235 peak 4 weight 1.00000E+00 volume 2.81267E+05 ppm1 8.791 ppm2 1.629
ASSI { 6}
(( segid " A" and resid 2 and name HA ))
(( segid " A" and resid 2 and name HB2 ))
2.561 0.820 0.820 peak 6 weight 1.00000E+00 volume 1.74317E+05 ppm1 4.347 ppm2 1.800
ASSI { 7}
(( segid " A" and resid 2 and name HA ))
(( segid " A" and resid 2 and name HB1 ))
2.832 1.002 1.002 peak 7 weight 1.00000E+00 volume 8.90325E+04 ppm1 4.353 ppm2 1.607
ASSI { 9}
(( segid " A" and resid 2 and name HB2 ))
(( segid " A" and resid 2 and name HB1 ))
2.594 0.841 0.841 peak 9 weight 1.00000E+00 volume 1.47289E+05 ppm1 1.792 ppm2 1.644
ASSI { 11}
(( segid " A" and resid 2 and name HN ))
(( segid " A" and resid 2 and name HA ))
2.171 0.589 0.589 peak 11 weight 1.00000E+00 volume 7.66473E+05 ppm1 4.348 ppm2 8.779
ASSI { 13}
(( segid " A" and resid 2 and name HN ))
(( segid " A" and resid 2 and name HD2 ))
3.778 1.785 1.785 peak 13 weight 1.00000E+00 volume 9.32298E+04 ppm1 3.190 ppm2 8.793
ASSI { 14}
(( segid " A" and resid 2 and name HN ))
(( segid " A" and resid 2 and name HB2 ))
2.705 0.915 0.915 peak 14 weight 1.00000E+00 volume 6.91939E+05 ppm1 1.796 ppm2 8.788
ASSI { 15}
(( segid " A" and resid 2 and name HN ))
(( segid " A" and resid 2 and name HB1 ))
3.341 1.396 1.396 peak 15 weight 1.00000E+00 volume 1.94883E+05 ppm1 1.643 ppm2 8.790
ASSI { 16}
(( segid " A" and resid 2 and name HN ))
(( segid " A" and resid 2 and name HB1 ))
3.323 1.381 1.381 peak 16 weight 1.00000E+00 volume 2.01375E+05 ppm1 1.605 ppm2 8.784
ASSI { 18}
(( segid " A" and resid 2 and name HD2 ))
(( segid " A" and resid 2 and name HB2 ))
2.908 1.057 1.057 peak 18 weight 1.00000E+00 volume 9.89587E+04 ppm1 1.796 ppm2 3.196
ASSI { 19}
(( segid " A" and resid 2 and name HD2 ))
(( segid " A" and resid 2 and name HB1 ))
2.832 1.003 1.003 peak 19 weight 1.00000E+00 volume 9.88768E+04 ppm1 1.644 ppm2 3.198
ASSI { 20}
(( segid " A" and resid 2 and name HD2 ))
(( segid " A" and resid 2 and name HB1 ))
2.879 1.036 1.036 peak 20 weight 1.00000E+00 volume 9.68146E+04 ppm1 1.605 ppm2 3.197
ASSI { 21}
(( segid " A" and resid 2 and name HB2 ))
(( segid " A" and resid 2 and name HB1 ))
2.485 0.772 0.772 peak 21 weight 1.00000E+00 volume 2.02638E+05 ppm1 1.649 ppm2 1.794
ASSI { 22}
(( segid " A" and resid 2 and name HB2 ))
(( segid " A" and resid 2 and name HB1 ))
2.439 0.744 0.744 peak 22 weight 1.00000E+00 volume 1.28867E+06 ppm1 1.605 ppm2 1.795
ASSI { 24}
(( segid " A" and resid 2 and name HD2 ))
(( segid " A" and resid 2 and name HE ))
2.855 1.019 1.019 peak 24 weight 1.00000E+00 volume 1.28933E+05 ppm1 7.256 ppm2 3.198
ASSI { 25}
(( segid " A" and resid 2 and name HB2 ))
(( segid " A" and resid 2 and name HE ))
3.637 1.653 1.653 peak 25 weight 1.00000E+00 volume 1.17201E+05 ppm1 7.255 ppm2 1.794
ASSI { 26}
(( segid " A" and resid 2 and name HB1 ))
(( segid " A" and resid 2 and name HE ))
3.511 1.541 1.541 peak 26 weight 1.00000E+00 volume 1.44911E+05 ppm1 7.251 ppm2 1.625
ASSI { 27}
(( segid " A" and resid 2 and name HA ))
(( segid " A" and resid 2 and name HB2 ))
2.741 0.939 0.939 peak 27 weight 1.00000E+00 volume 6.39292E+05 ppm1 1.799 ppm2 4.350
ASSI { 28}
(( segid " A" and resid 3 and name HN ))
(( segid " A" and resid 3 and name HA ))
2.853 1.017 1.017 peak 28 weight 1.00000E+00 volume 5.03191E+05 ppm1 8.775 ppm2 4.603
ASSI { 29}
(( segid " A" and resid 3 and name HN ))
(( segid " A" and resid 3 and name HB2 ))
2.695 0.908 0.908 peak 29 weight 1.00000E+00 volume 7.07983E+05 ppm1 8.775 ppm2 2.916
ASSI { 30}
(( segid " A" and resid 3 and name HN ))
(( segid " A" and resid 3 and name HB1 ))
2.711 0.919 0.919 peak 30 weight 1.00000E+00 volume 1.66318E+05 ppm1 8.775 ppm2 2.846
ASSI { 33}
(( segid " A" and resid 3 and name HA ))
(( segid " A" and resid 3 and name HB2 ))
2.645 0.875 0.875 peak 33 weight 1.00000E+00 volume 7.91924E+05 ppm1 4.599 ppm2 2.918
ASSI { 34}
(( segid " A" and resid 3 and name HA ))
(( segid " A" and resid 3 and name HB1 ))
2.537 0.804 0.804 peak 34 weight 1.00000E+00 volume 1.01786E+06 ppm1 4.598 ppm2 2.844
ASSI { 36}
(( segid " A" and resid 14 and name HB2 ))
(( segid " A" and resid 14 and name HB1 ))
2.264 0.641 0.641 peak 36 weight 1.00000E+00 volume 5.20030E+05 ppm1 2.921 ppm2 2.778
ASSI { 37}
(( segid " A" and resid 3 and name HB2 ))
(( segid " A" and resid 3 and name HB1 ))
2.011 0.506 0.506 peak 37 weight 1.00000E+00 volume 4.09951E+06 ppm1 2.914 ppm2 2.847
ASSI { 40}
(( segid " A" and resid 3 and name HN ))
(( segid " A" and resid 3 and name HA ))
2.938 1.079 1.079 peak 40 weight 1.00000E+00 volume 4.21513E+05 ppm1 4.599 ppm2 8.776
ASSI { 41}
(( segid " A" and resid 3 and name HN ))
(( segid " A" and resid 3 and name HB2 ))
2.866 1.027 1.027 peak 41 weight 1.00000E+00 volume 1.72987E+05 ppm1 2.911 ppm2 8.778
ASSI { 42}
(( segid " A" and resid 3 and name HN ))
(( segid " A" and resid 3 and name HB1 ))
2.877 1.034 1.034 peak 42 weight 1.00000E+00 volume 4.78665E+05 ppm1 2.854 ppm2 8.777
ASSI { 43}
(( segid " A" and resid 3 and name HA ))
(( segid " A" and resid 3 and name HB2 ))
2.704 0.914 0.914 peak 43 weight 1.00000E+00 volume 1.72111E+05 ppm1 2.912 ppm2 4.602
ASSI { 44}
(( segid " A" and resid 3 and name HA ))
(( segid " A" and resid 3 and name HB1 ))
2.655 0.881 0.881 peak 44 weight 1.00000E+00 volume 2.18322E+05 ppm1 2.855 ppm2 4.603
ASSI { 45}
(( segid " A" and resid 3 and name HB2 ))
(( segid " A" and resid 3 and name HB1 ))
1.845 0.426 0.426 peak 45 weight 1.00000E+00 volume 9.80352E+05 ppm1 2.855 ppm2 2.917
ASSI { 46}
(( segid " A" and resid 4 and name HN ))
(( segid " A" and resid 4 and name HA ))
2.866 1.026 1.026 peak 46 weight 1.00000E+00 volume 4.89868E+05 ppm1 8.900 ppm2 4.232
ASSI { 47}
(( segid " A" and resid 4 and name HN ))
(( segid " A" and resid 4 and name HG2 ))
2.990 1.117 1.117 peak 47 weight 1.00000E+00 volume 8.52592E+04 ppm1 8.901 ppm2 2.498
ASSI { 48}
(( segid " A" and resid 4 and name HN ))
(( segid " A" and resid 4 and name HB2 ))
2.892 1.045 1.045 peak 48 weight 1.00000E+00 volume 4.63664E+05 ppm1 8.900 ppm2 2.175
ASSI { 49}
(( segid " A" and resid 4 and name HN ))
(( segid " A" and resid 4 and name HB1 ))
2.704 0.914 0.914 peak 49 weight 1.00000E+00 volume 1.75676E+05 ppm1 8.900 ppm2 2.050
ASSI { 52}
(( segid " A" and resid 4 and name HA ))
(( segid " A" and resid 4 and name HG2 ))
2.927 1.071 1.071 peak 52 weight 1.00000E+00 volume 4.31328E+05 ppm1 4.231 ppm2 2.496
ASSI { 53}
(( segid " A" and resid 4 and name HA ))
(( segid " A" and resid 4 and name HB2 ))
2.381 0.709 0.709 peak 53 weight 1.00000E+00 volume 3.06126E+05 ppm1 4.233 ppm2 2.191
ASSI { 54}
(( segid " A" and resid 4 and name HA ))
(( segid " A" and resid 4 and name HB1 ))
2.755 0.949 0.949 peak 54 weight 1.00000E+00 volume 6.20368E+05 ppm1 4.230 ppm2 2.050
ASSI { 56}
(( segid " A" and resid 4 and name HG2 ))
(( segid " A" and resid 4 and name HB2 ))
2.966 1.099 1.099 peak 56 weight 1.00000E+00 volume 7.12915E+04 ppm1 2.506 ppm2 2.179
ASSI { 57}
(( segid " A" and resid 4 and name HG2 ))
(( segid " A" and resid 4 and name HB1 ))
3.020 1.140 1.140 peak 57 weight 1.00000E+00 volume 3.57363E+05 ppm1 2.501 ppm2 2.053
ASSI { 59}
(( segid " A" and resid 4 and name HB2 ))
(( segid " A" and resid 4 and name HB1 ))
2.072 0.536 0.536 peak 59 weight 1.00000E+00 volume 6.51173E+05 ppm1 2.175 ppm2 2.053
ASSI { 61}
(( segid " A" and resid 4 and name HN ))
(( segid " A" and resid 4 and name HA ))
2.813 0.989 0.989 peak 61 weight 1.00000E+00 volume 1.84124E+05 ppm1 4.230 ppm2 8.897
ASSI { 62}
(( segid " A" and resid 4 and name HN ))
(( segid " A" and resid 4 and name HG2 ))
3.359 1.410 1.410 peak 62 weight 1.00000E+00 volume 4.99051E+04 ppm1 2.503 ppm2 8.900
ASSI { 63}
(( segid " A" and resid 4 and name HN ))
(( segid " A" and resid 4 and name HB2 ))
3.034 1.150 1.150 peak 63 weight 1.00000E+00 volume 3.47986E+05 ppm1 2.170 ppm2 8.897
ASSI { 64}
(( segid " A" and resid 4 and name HN ))
(( segid " A" and resid 4 and name HB1 ))
2.907 1.056 1.056 peak 64 weight 1.00000E+00 volume 1.34684E+05 ppm1 2.052 ppm2 8.897
ASSI { 66}
(( segid " A" and resid 4 and name HA ))
(( segid " A" and resid 4 and name HG2 ))
3.304 1.364 1.364 peak 66 weight 1.00000E+00 volume 4.72275E+04 ppm1 2.506 ppm2 4.233
ASSI { 67}
(( segid " A" and resid 4 and name HA ))
(( segid " A" and resid 4 and name HB2 ))
2.517 0.792 0.792 peak 67 weight 1.00000E+00 volume 2.76838E+05 ppm1 2.192 ppm2 4.232
ASSI { 68}
(( segid " A" and resid 4 and name HA ))
(( segid " A" and resid 4 and name HB1 ))
2.837 1.006 1.006 peak 68 weight 1.00000E+00 volume 5.20044E+05 ppm1 2.050 ppm2 4.231
ASSI { 69}
(( segid " A" and resid 4 and name HG2 ))
(( segid " A" and resid 4 and name HB2 ))
2.615 0.855 0.855 peak 69 weight 1.00000E+00 volume 1.40309E+05 ppm1 2.172 ppm2 2.491
ASSI { 70}
(( segid " A" and resid 4 and name HG2 ))
(( segid " A" and resid 4 and name HB1 ))
2.636 0.869 0.869 peak 70 weight 1.00000E+00 volume 1.29623E+05 ppm1 2.052 ppm2 2.497
ASSI { 71}
(( segid " A" and resid 4 and name HB2 ))
(( segid " A" and resid 4 and name HB1 ))
2.010 0.505 0.505 peak 71 weight 1.00000E+00 volume 4.10862E+06 ppm1 2.051 ppm2 2.169
ASSI { 72}
(( segid " A" and resid 5 and name HN ))
(( segid " A" and resid 5 and name HA ))
2.798 0.978 0.978 peak 72 weight 1.00000E+00 volume 1.79397E+05 ppm1 8.508 ppm2 4.468
ASSI { 73}
(( segid " A" and resid 5 and name HN ))
(( segid " A" and resid 5 and name HB2 ))
2.416 0.730 0.730 peak 73 weight 1.00000E+00 volume 1.36412E+06 ppm1 8.508 ppm2 3.300
ASSI { 74}
(( segid " A" and resid 5 and name HN ))
(( segid " A" and resid 5 and name HB1 ))
2.524 0.796 0.796 peak 74 weight 1.00000E+00 volume 2.45112E+05 ppm1 8.508 ppm2 2.762
ASSI { 76}
(( segid " A" and resid 5 and name HA ))
(( segid " A" and resid 5 and name HB2 ))
3.232 1.305 1.305 peak 76 weight 1.00000E+00 volume 2.38186E+05 ppm1 4.476 ppm2 3.302
ASSI { 79}
(( segid " A" and resid 5 and name HA ))
(( segid " A" and resid 5 and name HB1 ))
2.858 1.021 1.021 peak 79 weight 1.00000E+00 volume 4.98284E+05 ppm1 4.470 ppm2 2.762
ASSI { 81}
(( segid " A" and resid 5 and name HB2 ))
(( segid " A" and resid 5 and name HB1 ))
1.940 0.471 0.471 peak 81 weight 1.00000E+00 volume 1.18372E+06 ppm1 3.287 ppm2 2.764
ASSI { 85}
(( segid " A" and resid 5 and name HN ))
(( segid " A" and resid 5 and name HA ))
2.766 0.956 0.956 peak 85 weight 1.00000E+00 volume 6.05619E+05 ppm1 4.461 ppm2 8.505
ASSI { 86}
(( segid " A" and resid 5 and name HN ))
(( segid " A" and resid 5 and name HB2 ))
2.492 0.776 0.776 peak 86 weight 1.00000E+00 volume 1.13261E+06 ppm1 3.299 ppm2 8.510
ASSI { 87}
(( segid " A" and resid 5 and name HN ))
(( segid " A" and resid 5 and name HB1 ))
2.748 0.944 0.944 peak 87 weight 1.00000E+00 volume 1.59851E+05 ppm1 2.757 ppm2 8.501
ASSI { 88}
(( segid " A" and resid 5 and name HA ))
(( segid " A" and resid 5 and name HB2 ))
2.591 0.839 0.839 peak 88 weight 1.00000E+00 volume 1.60011E+05 ppm1 3.303 ppm2 4.466
ASSI { 89}
(( segid " A" and resid 5 and name HA ))
(( segid " A" and resid 5 and name HB1 ))
3.082 1.188 1.188 peak 89 weight 1.00000E+00 volume 9.13764E+04 ppm1 2.761 ppm2 4.467
ASSI { 90}
(( segid " A" and resid 5 and name HB2 ))
(( segid " A" and resid 5 and name HB1 ))
1.891 0.447 0.447 peak 90 weight 1.00000E+00 volume 5.94219E+06 ppm1 2.765 ppm2 3.288
ASSI { 92}
(( segid " A" and resid 6 and name HN ))
(( segid " A" and resid 6 and name HA ))
2.947 1.085 1.085 peak 92 weight 1.00000E+00 volume 4.14420E+05 ppm1 8.170 ppm2 4.368
ASSI { 93}
(( segid " A" and resid 6 and name HN ))
(( segid " A" and resid 6 and name HB2 ))
2.648 0.876 0.876 peak 93 weight 1.00000E+00 volume 2.06248E+05 ppm1 8.170 ppm2 3.288
ASSI { 94}
(( segid " A" and resid 6 and name HN ))
(( segid " A" and resid 6 and name HB1 ))
2.580 0.832 0.832 peak 94 weight 1.00000E+00 volume 2.21496E+05 ppm1 8.169 ppm2 2.877
ASSI { 97}
(( segid " A" and resid 6 and name HA ))
(( segid " A" and resid 6 and name HB2 ))
2.692 0.906 0.906 peak 97 weight 1.00000E+00 volume 1.93301E+05 ppm1 4.368 ppm2 3.274
ASSI { 98}
(( segid " A" and resid 6 and name HA ))
(( segid " A" and resid 6 and name HB1 ))
2.751 0.946 0.946 peak 98 weight 1.00000E+00 volume 6.25860E+05 ppm1 4.361 ppm2 2.878
ASSI { 103}
(( segid " A" and resid 6 and name HB2 ))
(( segid " A" and resid 6 and name HB1 ))
2.102 0.552 0.552 peak 103 weight 1.00000E+00 volume 7.62555E+05 ppm1 3.268 ppm2 2.878
ASSI { 104}
(( segid " A" and resid 6 and name HN ))
(( segid " A" and resid 6 and name HA ))
2.891 1.045 1.045 peak 104 weight 1.00000E+00 volume 4.64203E+05 ppm1 4.367 ppm2 8.169
ASSI { 105}
(( segid " A" and resid 6 and name HN ))
(( segid " A" and resid 6 and name HB2 ))
2.821 0.995 0.995 peak 105 weight 1.00000E+00 volume 1.91009E+05 ppm1 3.288 ppm2 8.169
ASSI { 106}
(( segid " A" and resid 6 and name HN ))
(( segid " A" and resid 6 and name HB1 ))
2.813 0.989 0.989 peak 106 weight 1.00000E+00 volume 5.47520E+05 ppm1 2.876 ppm2 8.169
ASSI { 107}
(( segid " A" and resid 6 and name HA ))
(( segid " A" and resid 6 and name HB2 ))
2.758 0.951 0.951 peak 107 weight 1.00000E+00 volume 6.16309E+05 ppm1 3.282 ppm2 4.372
ASSI { 108}
(( segid " A" and resid 6 and name HA ))
(( segid " A" and resid 6 and name HB1 ))
3.207 1.285 1.285 peak 108 weight 1.00000E+00 volume 1.06192E+05 ppm1 2.877 ppm2 4.368
ASSI { 109}
(( segid " A" and resid 6 and name HB2 ))
(( segid " A" and resid 6 and name HB1 ))
2.032 0.516 0.516 peak 109 weight 1.00000E+00 volume 8.73925E+05 ppm1 2.877 ppm2 3.279
ASSI { 110}
(( segid " A" and resid 7 and name HN ))
(( segid " A" and resid 7 and name HA ))
2.964 1.098 1.098 peak 110 weight 1.00000E+00 volume 4.00315E+05 ppm1 7.849 ppm2 4.513
ASSI { 111}
(( segid " A" and resid 7 and name HN ))
(( segid " A" and resid 7 and name HB2 ))
2.875 1.033 1.033 peak 111 weight 1.00000E+00 volume 1.37757E+05 ppm1 7.849 ppm2 4.018
ASSI { 112}
(( segid " A" and resid 7 and name HN ))
(( segid " A" and resid 7 and name HB1 ))
2.818 0.993 0.993 peak 112 weight 1.00000E+00 volume 1.04778E+05 ppm1 7.851 ppm2 3.973
ASSI { 114}
(( segid " A" and resid 7 and name HN ))
(( segid " A" and resid 7 and name HA ))
2.836 1.006 1.006 peak 114 weight 1.00000E+00 volume 5.20953E+05 ppm1 4.516 ppm2 7.855
ASSI { 115}
(( segid " A" and resid 7 and name HN ))
(( segid " A" and resid 7 and name HB2 ))
2.985 1.114 1.114 peak 115 weight 1.00000E+00 volume 3.83200E+05 ppm1 4.013 ppm2 7.854
ASSI { 116}
(( segid " A" and resid 7 and name HN ))
(( segid " A" and resid 7 and name HB1 ))
3.044 1.159 1.159 peak 116 weight 1.00000E+00 volume 3.40658E+05 ppm1 3.972 ppm2 7.853
ASSI { 118}
(( segid " A" and resid 7 and name HA ))
(( segid " A" and resid 7 and name HB2 ))
2.501 0.782 0.782 peak 118 weight 1.00000E+00 volume 1.10918E+06 ppm1 4.513 ppm2 4.018
ASSI { 119}
(( segid " A" and resid 7 and name HA ))
(( segid " A" and resid 7 and name HB1 ))
2.356 0.694 0.694 peak 119 weight 1.00000E+00 volume 1.58742E+06 ppm1 4.514 ppm2 3.973
ASSI { 120}
(( segid " A" and resid 7 and name HA ))
(( segid " A" and resid 7 and name HB2 ))
2.934 1.076 1.076 peak 120 weight 1.00000E+00 volume 4.25098E+05 ppm1 4.012 ppm2 4.514
ASSI { 121}
(( segid " A" and resid 7 and name HA ))
(( segid " A" and resid 7 and name HB1 ))
2.764 0.955 0.955 peak 121 weight 1.00000E+00 volume 6.08334E+05 ppm1 3.971 ppm2 4.514
ASSI { 123}
(( segid " A" and resid 7 and name HB2 ))
(( segid " A" and resid 7 and name HB1 ))
1.849 0.427 0.427 peak 123 weight 1.00000E+00 volume 1.20594E+06 ppm1 4.015 ppm2 3.974
ASSI { 125}
(( segid " A" and resid 7 and name HB2 ))
(( segid " A" and resid 7 and name HB1 ))
1.829 0.418 0.418 peak 125 weight 1.00000E+00 volume 7.25394E+06 ppm1 3.970 ppm2 4.020
ASSI { 126}
(( segid " A" and resid 8 and name HN ))
(( segid " A" and resid 8 and name HA ))
3.010 1.132 1.132 peak 126 weight 1.00000E+00 volume 8.77362E+04 ppm1 7.969 ppm2 5.305
ASSI { 127}
(( segid " A" and resid 8 and name HN ))
(( segid " A" and resid 8 and name HB2 ))
2.766 0.956 0.956 peak 127 weight 1.00000E+00 volume 1.31982E+05 ppm1 7.969 ppm2 3.209
ASSI { 128}
(( segid " A" and resid 8 and name HN ))
(( segid " A" and resid 8 and name HB1 ))
2.838 1.007 1.007 peak 128 weight 1.00000E+00 volume 1.16025E+05 ppm1 7.970 ppm2 2.883
ASSI { 131}
(( segid " A" and resid 8 and name HA ))
(( segid " A" and resid 8 and name HB2 ))
3.192 1.274 1.274 peak 131 weight 1.00000E+00 volume 2.56312E+05 ppm1 5.301 ppm2 3.208
ASSI { 132}
(( segid " A" and resid 8 and name HA ))
(( segid " A" and resid 8 and name HB1 ))
2.914 1.062 1.062 peak 132 weight 1.00000E+00 volume 4.42747E+05 ppm1 5.303 ppm2 2.884
ASSI { 134}
(( segid " A" and resid 8 and name HB2 ))
(( segid " A" and resid 8 and name HB1 ))
2.170 0.588 0.588 peak 134 weight 1.00000E+00 volume 6.38415E+05 ppm1 3.209 ppm2 2.880
ASSI { 136}
(( segid " A" and resid 8 and name HN ))
(( segid " A" and resid 8 and name HA ))
3.355 1.407 1.407 peak 136 weight 1.00000E+00 volume 3.92195E+04 ppm1 5.303 ppm2 7.965
ASSI { 137}
(( segid " A" and resid 8 and name HN ))
(( segid " A" and resid 8 and name HB2 ))
2.879 1.036 1.036 peak 137 weight 1.00000E+00 volume 1.51838E+05 ppm1 3.208 ppm2 7.962
ASSI { 138}
(( segid " A" and resid 8 and name HN ))
(( segid " A" and resid 8 and name HB1 ))
2.892 1.045 1.045 peak 138 weight 1.00000E+00 volume 4.63942E+05 ppm1 2.874 ppm2 7.960
ASSI { 139}
(( segid " A" and resid 8 and name HA ))
(( segid " A" and resid 8 and name HB2 ))
2.949 1.087 1.087 peak 139 weight 1.00000E+00 volume 1.04853E+05 ppm1 3.208 ppm2 5.303
ASSI { 140}
(( segid " A" and resid 8 and name HA ))
(( segid " A" and resid 8 and name HB1 ))
2.676 0.895 0.895 peak 140 weight 1.00000E+00 volume 7.39499E+05 ppm1 2.875 ppm2 5.300
ASSI { 141}
(( segid " A" and resid 8 and name HB2 ))
(( segid " A" and resid 8 and name HB1 ))
2.123 0.564 0.564 peak 141 weight 1.00000E+00 volume 2.95875E+06 ppm1 2.874 ppm2 3.207
ASSI { 142}
(( segid " A" and resid 18 and name HN ))
(( segid " A" and resid 18 and name HA ))
2.899 1.050 1.050 peak 142 weight 1.00000E+00 volume 1.16922E+05 ppm1 7.628 ppm2 4.231
ASSI { 143}
(( segid " A" and resid 18 and name HN ))
(( segid " A" and resid 18 and name HB ))
2.636 0.869 0.869 peak 143 weight 1.00000E+00 volume 8.08519E+05 ppm1 7.627 ppm2 2.194
ASSI { 144}
(( segid " A" and resid 18 and name HN ))
( segid " A" and resid 18 and name HG1#)
2.515 0.790 0.790 peak 144 weight 1.00000E+00 volume 2.73245E+05 ppm1 7.628 ppm2 0.974
ASSI { 145}
(( segid " A" and resid 18 and name HN ))
( segid " A" and resid 18 and name HG2#)
3.141 1.233 1.233 peak 145 weight 1.00000E+00 volume 6.04678E+04 ppm1 7.630 ppm2 0.934
ASSI { 148}
(( segid " A" and resid 18 and name HA ))
( segid " A" and resid 18 and name HG1#)
2.463 0.759 0.759 peak 148 weight 1.00000E+00 volume 2.61185E+05 ppm1 4.234 ppm2 0.968
ASSI { 149}
(( segid " A" and resid 18 and name HA ))
( segid " A" and resid 18 and name HG2#)
2.577 0.830 0.830 peak 149 weight 1.00000E+00 volume 2.14352E+05 ppm1 4.234 ppm2 0.929
ASSI { 152}
(( segid " A" and resid 18 and name HA ))
(( segid " A" and resid 18 and name HB ))
2.381 0.709 0.709 peak 152 weight 1.00000E+00 volume 3.06126E+05 ppm1 4.234 ppm2 2.194
ASSI { 154}
(( segid " A" and resid 18 and name HB ))
( segid " A" and resid 18 and name HG1#)
2.344 0.687 0.687 peak 154 weight 1.00000E+00 volume 1.63548E+06 ppm1 2.189 ppm2 0.970
ASSI { 155}
(( segid " A" and resid 18 and name HB ))
( segid " A" and resid 18 and name HG2#)
2.561 0.820 0.820 peak 155 weight 1.00000E+00 volume 9.61949E+05 ppm1 2.191 ppm2 0.928
ASSI { 158}
(( segid " A" and resid 18 and name HN ))
(( segid " A" and resid 18 and name HA ))
2.833 1.003 1.003 peak 158 weight 1.00000E+00 volume 5.24430E+05 ppm1 4.234 ppm2 7.630
ASSI { 159}
(( segid " A" and resid 18 and name HN ))
(( segid " A" and resid 18 and name HB ))
2.780 0.966 0.966 peak 159 weight 1.00000E+00 volume 5.87609E+05 ppm1 2.193 ppm2 7.629
ASSI { 160}
(( segid " A" and resid 18 and name HN ))
( segid " A" and resid 18 and name HG1#)
2.608 0.850 0.850 peak 160 weight 1.00000E+00 volume 2.21083E+05 ppm1 0.974 ppm2 7.630
ASSI { 161}
(( segid " A" and resid 18 and name HN ))
( segid " A" and resid 18 and name HG2#)
3.154 1.243 1.243 peak 161 weight 1.00000E+00 volume 2.75665E+05 ppm1 0.933 ppm2 7.629
ASSI { 162}
(( segid " A" and resid 18 and name HA ))
(( segid " A" and resid 18 and name HB ))
2.542 0.808 0.808 peak 162 weight 1.00000E+00 volume 2.34722E+05 ppm1 2.180 ppm2 4.233
ASSI { 163}
(( segid " A" and resid 18 and name HA ))
( segid " A" and resid 18 and name HG1#)
2.674 0.894 0.894 peak 163 weight 1.00000E+00 volume 7.42247E+05 ppm1 0.975 ppm2 4.231
ASSI { 164}
(( segid " A" and resid 18 and name HA ))
( segid " A" and resid 18 and name HG2#)
2.598 0.844 0.844 peak 164 weight 1.00000E+00 volume 8.82598E+05 ppm1 0.934 ppm2 4.232
ASSI { 165}
(( segid " A" and resid 18 and name HB ))
( segid " A" and resid 18 and name HG1#)
2.281 0.650 0.650 peak 165 weight 1.00000E+00 volume 1.92520E+06 ppm1 0.977 ppm2 2.189
ASSI { 166}
(( segid " A" and resid 18 and name HB ))
( segid " A" and resid 18 and name HG2#)
2.375 0.705 0.705 peak 166 weight 1.00000E+00 volume 3.16626E+05 ppm1 0.935 ppm2 2.194
ASSI { 167}
(( segid " A" and resid 11 and name HN ))
(( segid " A" and resid 11 and name HA ))
2.717 0.923 0.923 peak 167 weight 1.00000E+00 volume 1.86809E+05 ppm1 7.663 ppm2 4.207
ASSI { 168}
(( segid " A" and resid 11 and name HN ))
(( segid " A" and resid 11 and name HB2 ))
2.695 0.908 0.908 peak 168 weight 1.00000E+00 volume 1.67223E+05 ppm1 7.663 ppm2 4.135
ASSI { 169}
(( segid " A" and resid 11 and name HN ))
(( segid " A" and resid 11 and name HB1 ))
2.559 0.819 0.819 peak 169 weight 1.00000E+00 volume 9.65373E+05 ppm1 7.663 ppm2 3.307
ASSI { 172}
(( segid " A" and resid 11 and name HA ))
(( segid " A" and resid 11 and name HB1 ))
2.511 0.788 0.788 peak 172 weight 1.00000E+00 volume 1.08141E+06 ppm1 4.199 ppm2 3.308
ASSI { 174}
(( segid " A" and resid 11 and name HA ))
(( segid " A" and resid 11 and name HB2 ))
2.425 0.735 0.735 peak 174 weight 1.00000E+00 volume 1.33425E+06 ppm1 4.200 ppm2 4.136
ASSI { 176}
(( segid " A" and resid 11 and name HB2 ))
(( segid " A" and resid 11 and name HB1 ))
2.420 0.732 0.732 peak 176 weight 1.00000E+00 volume 1.34899E+06 ppm1 4.128 ppm2 3.305
ASSI { 178}
(( segid " A" and resid 11 and name HN ))
(( segid " A" and resid 11 and name HA ))
2.841 1.009 1.009 peak 178 weight 1.00000E+00 volume 5.15872E+05 ppm1 4.199 ppm2 7.659
ASSI { 179}
(( segid " A" and resid 11 and name HN ))
(( segid " A" and resid 11 and name HB2 ))
2.873 1.032 1.032 peak 179 weight 1.00000E+00 volume 4.82632E+05 ppm1 4.128 ppm2 7.660
ASSI { 180}
(( segid " A" and resid 11 and name HN ))
(( segid " A" and resid 11 and name HB1 ))
2.606 0.849 0.849 peak 180 weight 1.00000E+00 volume 9.48364E+04 ppm1 3.304 ppm2 7.663
ASSI { 181}
(( segid " A" and resid 11 and name HA ))
(( segid " A" and resid 11 and name HB2 ))
2.464 0.759 0.759 peak 181 weight 1.00000E+00 volume 1.21237E+06 ppm1 4.128 ppm2 4.206
ASSI { 182}
(( segid " A" and resid 11 and name HA ))
(( segid " A" and resid 11 and name HB1 ))
2.365 0.699 0.699 peak 182 weight 1.00000E+00 volume 1.78749E+05 ppm1 3.306 ppm2 4.206
ASSI { 183}
(( segid " A" and resid 12 and name HN ))
(( segid " A" and resid 12 and name HA ))
2.832 1.002 1.002 peak 183 weight 1.00000E+00 volume 2.03614E+05 ppm1 8.530 ppm2 3.950
ASSI { 184}
(( segid " A" and resid 12 and name HN ))
(( segid " A" and resid 12 and name HD2 ))
2.802 0.981 0.981 peak 184 weight 1.00000E+00 volume 1.08662E+05 ppm1 8.527 ppm2 3.297
ASSI { 185}
(( segid " A" and resid 12 and name HN ))
(( segid " A" and resid 12 and name HG2 ))
2.615 0.855 0.855 peak 185 weight 1.00000E+00 volume 8.48341E+05 ppm1 8.531 ppm2 2.021
ASSI { 186}
(( segid " A" and resid 12 and name HN ))
(( segid " A" and resid 12 and name HG1 ))
2.730 0.932 0.932 peak 186 weight 1.00000E+00 volume 1.60555E+05 ppm1 8.530 ppm2 1.857
ASSI { 187}
(( segid " A" and resid 12 and name HN ))
(( segid " A" and resid 12 and name HB2 ))
3.066 1.175 1.175 peak 187 weight 1.00000E+00 volume 3.26488E+05 ppm1 8.530 ppm2 1.729
ASSI { 188}
(( segid " A" and resid 12 and name HN ))
(( segid " A" and resid 12 and name HB1 ))
3.214 1.291 1.291 peak 188 weight 1.00000E+00 volume 6.90732E+04 ppm1 8.530 ppm2 1.601
ASSI { 190}
(( segid " A" and resid 12 and name HA ))
(( segid " A" and resid 12 and name HD2 ))
4.620 2.668 2.668 peak 190 weight 1.00000E+00 volume 3.94126E+04 ppm1 3.951 ppm2 3.270
ASSI { 191}
(( segid " A" and resid 12 and name HA ))
(( segid " A" and resid 12 and name HG2 ))
2.462 0.758 0.758 peak 191 weight 1.00000E+00 volume 1.21763E+06 ppm1 3.952 ppm2 2.026
ASSI { 192}
(( segid " A" and resid 12 and name HA ))
(( segid " A" and resid 12 and name HG1 ))
2.770 0.959 0.959 peak 192 weight 1.00000E+00 volume 1.22119E+05 ppm1 3.950 ppm2 1.858
ASSI { 193}
(( segid " A" and resid 12 and name HA ))
(( segid " A" and resid 12 and name HB2 ))
2.904 1.054 1.054 peak 193 weight 1.00000E+00 volume 4.52700E+05 ppm1 3.950 ppm2 1.728
ASSI { 194}
(( segid " A" and resid 12 and name HA ))
(( segid " A" and resid 12 and name HB1 ))
2.979 1.109 1.109 peak 194 weight 1.00000E+00 volume 8.70300E+04 ppm1 3.951 ppm2 1.603
ASSI { 196}
(( segid " A" and resid 12 and name HD2 ))
(( segid " A" and resid 12 and name HG2 ))
2.778 0.965 0.965 peak 196 weight 1.00000E+00 volume 5.89704E+05 ppm1 3.279 ppm2 2.019
ASSI { 197}
(( segid " A" and resid 12 and name HD2 ))
(( segid " A" and resid 12 and name HG1 ))
2.758 0.951 0.951 peak 197 weight 1.00000E+00 volume 6.15762E+05 ppm1 3.276 ppm2 1.856
ASSI { 198}
(( segid " A" and resid 12 and name HD2 ))
(( segid " A" and resid 12 and name HB2 ))
2.536 0.804 0.804 peak 198 weight 1.00000E+00 volume 1.02071E+06 ppm1 3.276 ppm2 1.729
ASSI { 199}
(( segid " A" and resid 12 and name HD2 ))
(( segid " A" and resid 12 and name HB1 ))
2.545 0.809 0.809 peak 199 weight 1.00000E+00 volume 9.99399E+05 ppm1 3.276 ppm2 1.602
ASSI { 202}
(( segid " A" and resid 12 and name HG2 ))
(( segid " A" and resid 12 and name HG1 ))
2.297 0.659 0.659 peak 202 weight 1.00000E+00 volume 3.16508E+05 ppm1 2.016 ppm2 1.857
ASSI { 203}
(( segid " A" and resid 12 and name HG2 ))
(( segid " A" and resid 12 and name HB2 ))
2.977 1.108 1.108 peak 203 weight 1.00000E+00 volume 3.89705E+05 ppm1 2.013 ppm2 1.731
ASSI { 204}
(( segid " A" and resid 12 and name HG2 ))
(( segid " A" and resid 12 and name HB1 ))
3.152 1.242 1.242 peak 204 weight 1.00000E+00 volume 2.76803E+05 ppm1 2.009 ppm2 1.604
ASSI { 206}
(( segid " A" and resid 12 and name HG1 ))
(( segid " A" and resid 12 and name HB2 ))
2.708 0.917 0.917 peak 206 weight 1.00000E+00 volume 1.16960E+05 ppm1 1.850 ppm2 1.731
ASSI { 207}
(( segid " A" and resid 12 and name HG1 ))
(( segid " A" and resid 12 and name HB1 ))
2.846 1.013 1.013 peak 207 weight 1.00000E+00 volume 8.93602E+04 ppm1 1.841 ppm2 1.602
ASSI { 209}
(( segid " A" and resid 12 and name HB2 ))
(( segid " A" and resid 12 and name HB1 ))
2.274 0.646 0.646 peak 209 weight 1.00000E+00 volume 1.96398E+06 ppm1 1.727 ppm2 1.603
ASSI { 211}
(( segid " A" and resid 12 and name HB2 ))
(( segid " A" and resid 12 and name HB1 ))
2.212 0.612 0.612 peak 211 weight 1.00000E+00 volume 2.31554E+06 ppm1 1.598 ppm2 1.728
ASSI { 212}
(( segid " A" and resid 12 and name HG1 ))
(( segid " A" and resid 12 and name HB2 ))
2.518 0.792 0.792 peak 212 weight 1.00000E+00 volume 1.49642E+05 ppm1 1.730 ppm2 1.850
ASSI { 213}
(( segid " A" and resid 12 and name HG1 ))
(( segid " A" and resid 12 and name HB1 ))
2.646 0.875 0.875 peak 213 weight 1.00000E+00 volume 7.89599E+05 ppm1 1.599 ppm2 1.856
ASSI { 214}
(( segid " A" and resid 12 and name HG2 ))
(( segid " A" and resid 12 and name HG1 ))
2.260 0.638 0.638 peak 214 weight 1.00000E+00 volume 3.34717E+05 ppm1 1.851 ppm2 2.019
ASSI { 215}
(( segid " A" and resid 12 and name HG2 ))
(( segid " A" and resid 12 and name HB2 ))
2.735 0.935 0.935 peak 215 weight 1.00000E+00 volume 6.48191E+05 ppm1 1.732 ppm2 2.018
ASSI { 216}
(( segid " A" and resid 12 and name HG2 ))
(( segid " A" and resid 12 and name HB1 ))
2.932 1.075 1.075 peak 216 weight 1.00000E+00 volume 6.59042E+04 ppm1 1.598 ppm2 2.018
ASSI { 217}
(( segid " A" and resid 12 and name HD2 ))
(( segid " A" and resid 12 and name HG2 ))
2.797 0.978 0.978 peak 217 weight 1.00000E+00 volume 1.09208E+05 ppm1 2.017 ppm2 3.277
ASSI { 218}
(( segid " A" and resid 12 and name HD2 ))
(( segid " A" and resid 12 and name HG1 ))
2.790 0.973 0.973 peak 218 weight 1.00000E+00 volume 5.75276E+05 ppm1 1.850 ppm2 3.276
ASSI { 219}
(( segid " A" and resid 12 and name HD2 ))
(( segid " A" and resid 12 and name HB2 ))
2.581 0.833 0.833 peak 219 weight 1.00000E+00 volume 1.83916E+05 ppm1 1.728 ppm2 3.276
ASSI { 220}
(( segid " A" and resid 12 and name HD2 ))
(( segid " A" and resid 12 and name HB1 ))
2.572 0.827 0.827 peak 220 weight 1.00000E+00 volume 9.37743E+05 ppm1 1.598 ppm2 3.276
ASSI { 221}
(( segid " A" and resid 12 and name HA ))
(( segid " A" and resid 12 and name HG2 ))
2.663 0.886 0.886 peak 221 weight 1.00000E+00 volume 7.61193E+05 ppm1 2.022 ppm2 3.952
ASSI { 222}
(( segid " A" and resid 12 and name HA ))
(( segid " A" and resid 12 and name HG1 ))
3.009 1.132 1.132 peak 222 weight 1.00000E+00 volume 9.89842E+04 ppm1 1.852 ppm2 3.951
ASSI { 223}
(( segid " A" and resid 12 and name HA ))
(( segid " A" and resid 12 and name HB2 ))
3.096 1.198 1.198 peak 223 weight 1.00000E+00 volume 3.08100E+05 ppm1 1.730 ppm2 3.951
ASSI { 224}
(( segid " A" and resid 12 and name HA ))
(( segid " A" and resid 12 and name HB1 ))
3.132 1.226 1.226 peak 224 weight 1.00000E+00 volume 2.87399E+05 ppm1 1.596 ppm2 3.950
ASSI { 225}
(( segid " A" and resid 12 and name HG2 ))
(( segid " A" and resid 9 and name HA ))
2.710 0.918 0.918 peak 225 weight 1.00000E+00 volume 6.84690E+05 ppm1 2.026 ppm2 4.135
OR { 225}
(( segid " A" and resid 9 and name HB2 ))
(( segid " A" and resid 9 and name HA ))
ASSI { 227}
(( segid " A" and resid 2 and name HD2 ))
(( segid " A" and resid 2 and name HE ))
2.873 1.032 1.032 peak 227 weight 1.00000E+00 volume 4.82447E+05 ppm1 3.194 ppm2 7.255
ASSI { 228}
(( segid " A" and resid 2 and name HB2 ))
(( segid " A" and resid 2 and name HE ))
3.857 1.859 1.859 peak 228 weight 1.00000E+00 volume 8.24328E+04 ppm1 1.795 ppm2 7.256
ASSI { 229}
(( segid " A" and resid 2 and name HB1 ))
(( segid " A" and resid 2 and name HE ))
3.642 1.658 1.658 peak 229 weight 1.00000E+00 volume 1.16338E+05 ppm1 1.609 ppm2 7.249
ASSI { 230}
(( segid " A" and resid 12 and name HD2 ))
(( segid " A" and resid 12 and name HE ))
2.569 0.825 0.825 peak 230 weight 1.00000E+00 volume 9.43844E+05 ppm1 7.366 ppm2 3.275
ASSI { 231}
(( segid " A" and resid 12 and name HG2 ))
(( segid " A" and resid 12 and name HE ))
3.438 1.478 1.478 peak 231 weight 1.00000E+00 volume 3.41770E+04 ppm1 7.368 ppm2 2.021
ASSI { 232}
(( segid " A" and resid 12 and name HG1 ))
(( segid " A" and resid 12 and name HE ))
3.352 1.405 1.405 peak 232 weight 1.00000E+00 volume 4.00323E+04 ppm1 7.367 ppm2 1.857
ASSI { 233}
(( segid " A" and resid 12 and name HB2 ))
(( segid " A" and resid 12 and name HE ))
3.260 1.329 1.329 peak 233 weight 1.00000E+00 volume 4.93068E+04 ppm1 7.367 ppm2 1.727
ASSI { 234}
(( segid " A" and resid 12 and name HB1 ))
(( segid " A" and resid 12 and name HE ))
3.235 1.308 1.308 peak 234 weight 1.00000E+00 volume 5.37140E+04 ppm1 7.368 ppm2 1.603
ASSI { 236}
(( segid " A" and resid 12 and name HD2 ))
(( segid " A" and resid 12 and name HE ))
2.547 0.811 0.811 peak 236 weight 1.00000E+00 volume 2.77584E+05 ppm1 3.278 ppm2 7.371
ASSI { 237}
(( segid " A" and resid 12 and name HB2 ))
(( segid " A" and resid 12 and name HE ))
3.289 1.352 1.352 peak 237 weight 1.00000E+00 volume 2.14301E+05 ppm1 1.730 ppm2 7.374
ASSI { 238}
(( segid " A" and resid 12 and name HB1 ))
(( segid " A" and resid 12 and name HE ))
3.248 1.319 1.319 peak 238 weight 1.00000E+00 volume 5.24252E+04 ppm1 1.597 ppm2 7.373
ASSI { 239}
(( segid " A" and resid 13 and name HN ))
(( segid " A" and resid 13 and name HA ))
2.840 1.008 1.008 peak 239 weight 1.00000E+00 volume 5.16711E+05 ppm1 7.400 ppm2 3.881
ASSI { 240}
(( segid " A" and resid 13 and name HN ))
(( segid " A" and resid 13 and name HB ))
2.535 0.803 0.803 peak 240 weight 1.00000E+00 volume 2.54715E+05 ppm1 7.401 ppm2 2.172
ASSI { 241}
(( segid " A" and resid 13 and name HN ))
( segid " A" and resid 13 and name HG1#)
2.895 1.048 1.048 peak 241 weight 1.00000E+00 volume 4.60677E+05 ppm1 7.399 ppm2 0.976
ASSI { 242}
(( segid " A" and resid 13 and name HN ))
( segid " A" and resid 13 and name HG2#)
2.639 0.870 0.870 peak 242 weight 1.00000E+00 volume 8.03773E+05 ppm1 7.401 ppm2 1.068
ASSI { 245}
(( segid " A" and resid 13 and name HA ))
(( segid " A" and resid 13 and name HB ))
2.465 0.760 0.760 peak 245 weight 1.00000E+00 volume 3.00673E+05 ppm1 3.883 ppm2 2.166
ASSI { 246}
(( segid " A" and resid 13 and name HA ))
( segid " A" and resid 13 and name HG2#)
2.619 0.857 0.857 peak 246 weight 1.00000E+00 volume 8.40907E+05 ppm1 3.883 ppm2 1.065
ASSI { 247}
(( segid " A" and resid 1 and name HA ))
( segid " A" and resid 1 and name HG2#)
2.544 0.809 0.809 peak 247 weight 1.00000E+00 volume 9.99956E+05 ppm1 3.870 ppm2 0.986
ASSI { 248}
(( segid " A" and resid 13 and name HA ))
( segid " A" and resid 13 and name HG1#)
2.546 0.810 0.810 peak 248 weight 1.00000E+00 volume 2.69008E+05 ppm1 3.882 ppm2 0.976
ASSI { 250}
(( segid " A" and resid 13 and name HB ))
( segid " A" and resid 13 and name HG2#)
2.725 0.928 0.928 peak 250 weight 1.00000E+00 volume 6.62338E+05 ppm1 2.159 ppm2 1.067
ASSI { 251}
(( segid " A" and resid 13 and name HB ))
( segid " A" and resid 13 and name HG1#)
2.477 0.767 0.767 peak 251 weight 1.00000E+00 volume 1.17526E+06 ppm1 2.159 ppm2 0.973
ASSI { 254}
(( segid " A" and resid 13 and name HN ))
(( segid " A" and resid 13 and name HA ))
2.638 0.870 0.870 peak 254 weight 1.00000E+00 volume 8.04851E+05 ppm1 3.882 ppm2 7.397
ASSI { 255}
(( segid " A" and resid 13 and name HN ))
(( segid " A" and resid 13 and name HB ))
2.659 0.884 0.884 peak 255 weight 1.00000E+00 volume 7.67876E+05 ppm1 2.164 ppm2 7.397
ASSI { 256}
(( segid " A" and resid 13 and name HN ))
( segid " A" and resid 13 and name HG2#)
2.700 0.911 0.911 peak 256 weight 1.00000E+00 volume 6.99650E+05 ppm1 1.061 ppm2 7.397
ASSI { 257}
(( segid " A" and resid 13 and name HN ))
( segid " A" and resid 13 and name HG1#)
3.087 1.191 1.191 peak 257 weight 1.00000E+00 volume 1.07399E+05 ppm1 0.982 ppm2 7.394
ASSI { 258}
(( segid " A" and resid 13 and name HA ))
(( segid " A" and resid 13 and name HB ))
2.668 0.890 0.890 peak 258 weight 1.00000E+00 volume 7.52840E+05 ppm1 2.165 ppm2 3.881
ASSI { 259}
(( segid " A" and resid 13 and name HA ))
( segid " A" and resid 13 and name HG2#)
2.720 0.925 0.925 peak 259 weight 1.00000E+00 volume 2.33302E+05 ppm1 1.062 ppm2 3.880
ASSI { 260}
(( segid " A" and resid 13 and name HA ))
( segid " A" and resid 13 and name HG1#)
2.634 0.867 0.867 peak 260 weight 1.00000E+00 volume 8.11827E+05 ppm1 0.982 ppm2 3.882
ASSI { 261}
(( segid " A" and resid 13 and name HB ))
( segid " A" and resid 13 and name HG2#)
2.593 0.840 0.840 peak 261 weight 1.00000E+00 volume 2.50244E+05 ppm1 1.064 ppm2 2.168
ASSI { 262}
(( segid " A" and resid 13 and name HB ))
( segid " A" and resid 13 and name HG1#)
2.329 0.678 0.678 peak 262 weight 1.00000E+00 volume 1.70130E+06 ppm1 0.986 ppm2 2.167
ASSI { 263}
( segid " A" and resid 13 and name HG1#)
( segid " A" and resid 13 and name HG2#)
2.158 0.582 0.582 peak 263 weight 1.00000E+00 volume 5.24118E+05 ppm1 0.981 ppm2 1.069
ASSI { 264}
(( segid " A" and resid 14 and name HN ))
(( segid " A" and resid 14 and name HA ))
2.923 1.068 1.068 peak 264 weight 1.00000E+00 volume 4.35357E+05 ppm1 7.609 ppm2 4.734
ASSI { 265}
(( segid " A" and resid 14 and name HB2 ))
(( segid " A" and resid 14 and name HN ))
2.963 1.098 1.098 peak 265 weight 1.00000E+00 volume 4.00706E+05 ppm1 7.618 ppm2 2.907
ASSI { 266}
(( segid " A" and resid 14 and name HB1 ))
(( segid " A" and resid 14 and name HN ))
2.757 0.950 0.950 peak 266 weight 1.00000E+00 volume 1.12887E+05 ppm1 7.614 ppm2 2.781
ASSI { 267}
(( segid " A" and resid 14 and name HB2 ))
(( segid " A" and resid 14 and name HA ))
2.818 0.993 0.993 peak 267 weight 1.00000E+00 volume 5.41777E+05 ppm1 4.729 ppm2 2.910
ASSI { 268}
(( segid " A" and resid 14 and name HB1 ))
(( segid " A" and resid 14 and name HA ))
3.355 1.407 1.407 peak 268 weight 1.00000E+00 volume 2.34577E+04 ppm1 4.730 ppm2 2.790
ASSI { 270}
(( segid " A" and resid 3 and name HB2 ))
(( segid " A" and resid 3 and name HB1 ))
2.340 0.684 0.684 peak 270 weight 1.00000E+00 volume 3.56140E+05 ppm1 2.938 ppm2 2.849
ASSI { 273}
(( segid " A" and resid 14 and name HN ))
(( segid " A" and resid 14 and name HA ))
3.009 1.131 1.131 peak 273 weight 1.00000E+00 volume 3.65767E+05 ppm1 4.733 ppm2 7.625
ASSI { 274}
(( segid " A" and resid 14 and name HB2 ))
(( segid " A" and resid 14 and name HN ))
3.100 1.202 1.202 peak 274 weight 1.00000E+00 volume 5.79233E+04 ppm1 2.914 ppm2 7.630
ASSI { 275}
(( segid " A" and resid 14 and name HB1 ))
(( segid " A" and resid 14 and name HN ))
2.875 1.033 1.033 peak 275 weight 1.00000E+00 volume 3.73910E+04 ppm1 2.758 ppm2 7.609
ASSI { 276}
(( segid " A" and resid 14 and name HB2 ))
(( segid " A" and resid 14 and name HA ))
2.763 0.954 0.954 peak 276 weight 1.00000E+00 volume 6.09508E+05 ppm1 2.908 ppm2 4.731
ASSI { 277}
(( segid " A" and resid 14 and name HB2 ))
(( segid " A" and resid 14 and name HB1 ))
2.051 0.526 0.526 peak 277 weight 1.00000E+00 volume 3.64708E+06 ppm1 2.779 ppm2 2.913
ASSI { 278}
(( segid " A" and resid 15 and name HN ))
(( segid " A" and resid 15 and name HA ))
2.911 1.059 1.059 peak 278 weight 1.00000E+00 volume 4.46102E+05 ppm1 7.642 ppm2 5.153
ASSI { 279}
(( segid " A" and resid 15 and name HN ))
(( segid " A" and resid 15 and name HB2 ))
2.892 1.046 1.046 peak 279 weight 1.00000E+00 volume 4.63480E+05 ppm1 7.641 ppm2 2.778
ASSI { 280}
(( segid " A" and resid 15 and name HN ))
(( segid " A" and resid 15 and name HB1 ))
2.512 0.789 0.789 peak 280 weight 1.00000E+00 volume 1.44671E+05 ppm1 7.639 ppm2 2.690
ASSI { 281}
(( segid " A" and resid 15 and name HN ))
(( segid " A" and resid 15 and name HB2 ))
2.813 0.989 0.989 peak 281 weight 1.00000E+00 volume 5.47487E+05 ppm1 2.767 ppm2 7.632
ASSI { 282}
(( segid " A" and resid 15 and name HN ))
(( segid " A" and resid 15 and name HB1 ))
2.771 0.960 0.960 peak 282 weight 1.00000E+00 volume 1.20409E+05 ppm1 2.681 ppm2 7.633
ASSI { 283}
(( segid " A" and resid 15 and name HA ))
(( segid " A" and resid 15 and name HB1 ))
2.705 0.915 0.915 peak 283 weight 1.00000E+00 volume 1.57231E+05 ppm1 2.682 ppm2 5.150
ASSI { 284}
(( segid " A" and resid 10 and name HN ))
(( segid " A" and resid 10 and name HA ))
2.786 0.970 0.970 peak 284 weight 1.00000E+00 volume 5.80227E+05 ppm1 7.490 ppm2 3.747
ASSI { 285}
(( segid " A" and resid 10 and name HN ))
(( segid " A" and resid 10 and name HB ))
2.333 0.680 0.680 peak 285 weight 1.00000E+00 volume 1.68430E+06 ppm1 7.492 ppm2 2.047
ASSI { 286}
(( segid " A" and resid 10 and name HN ))
( segid " A" and resid 10 and name HG1#)
2.516 0.791 0.791 peak 286 weight 1.00000E+00 volume 1.07030E+06 ppm1 7.491 ppm2 0.998
ASSI { 287}
(( segid " A" and resid 10 and name HN ))
( segid " A" and resid 10 and name HG2#)
3.181 1.265 1.265 peak 287 weight 1.00000E+00 volume 2.61613E+05 ppm1 7.491 ppm2 0.881
ASSI { 289}
(( segid " A" and resid 10 and name HN ))
(( segid " A" and resid 10 and name HA ))
2.784 0.969 0.969 peak 289 weight 1.00000E+00 volume 2.05949E+05 ppm1 3.746 ppm2 7.490
ASSI { 290}
(( segid " A" and resid 10 and name HN ))
(( segid " A" and resid 10 and name HB ))
2.509 0.787 0.787 peak 290 weight 1.00000E+00 volume 3.00348E+05 ppm1 2.045 ppm2 7.490
ASSI { 291}
(( segid " A" and resid 10 and name HN ))
( segid " A" and resid 10 and name HG1#)
2.547 0.811 0.811 peak 291 weight 1.00000E+00 volume 9.93378E+05 ppm1 1.001 ppm2 7.490
ASSI { 292}
(( segid " A" and resid 10 and name HN ))
( segid " A" and resid 10 and name HG2#)
3.396 1.442 1.442 peak 292 weight 1.00000E+00 volume 6.63347E+04 ppm1 0.886 ppm2 7.488
ASSI { 294}
(( segid " A" and resid 10 and name HA ))
(( segid " A" and resid 10 and name HB ))
2.766 0.956 0.956 peak 294 weight 1.00000E+00 volume 1.38921E+05 ppm1 3.746 ppm2 2.047
ASSI { 295}
(( segid " A" and resid 10 and name HA ))
( segid " A" and resid 10 and name HG1#)
2.422 0.733 0.733 peak 295 weight 1.00000E+00 volume 1.34335E+06 ppm1 3.745 ppm2 0.997
ASSI { 296}
(( segid " A" and resid 10 and name HA ))
( segid " A" and resid 10 and name HG2#)
2.636 0.869 0.869 peak 296 weight 1.00000E+00 volume 2.54686E+05 ppm1 3.745 ppm2 0.883
ASSI { 298}
(( segid " A" and resid 10 and name HB ))
( segid " A" and resid 10 and name HG1#)
2.489 0.774 0.774 peak 298 weight 1.00000E+00 volume 3.38411E+05 ppm1 2.044 ppm2 0.998
ASSI { 299}
(( segid " A" and resid 10 and name HB ))
( segid " A" and resid 10 and name HG2#)
2.556 0.817 0.817 peak 299 weight 1.00000E+00 volume 2.32326E+05 ppm1 2.045 ppm2 0.885
ASSI { 301}
( segid " A" and resid 10 and name HG1#)
( segid " A" and resid 10 and name HG2#)
2.972 1.104 1.104 peak 301 weight 1.00000E+00 volume 1.49477E+05 ppm1 1.003 ppm2 0.880
ASSI { 303}
(( segid " A" and resid 10 and name HA ))
(( segid " A" and resid 10 and name HB ))
2.907 1.056 1.056 peak 303 weight 1.00000E+00 volume 4.49544E+05 ppm1 2.046 ppm2 3.745
ASSI { 304}
(( segid " A" and resid 10 and name HA ))
( segid " A" and resid 10 and name HG1#)
2.506 0.785 0.785 peak 304 weight 1.00000E+00 volume 2.77067E+05 ppm1 0.999 ppm2 3.746
ASSI { 305}
(( segid " A" and resid 10 and name HA ))
( segid " A" and resid 10 and name HG2#)
2.676 0.895 0.895 peak 305 weight 1.00000E+00 volume 1.76459E+05 ppm1 0.885 ppm2 3.747
ASSI { 306}
(( segid " A" and resid 10 and name HB ))
( segid " A" and resid 10 and name HG1#)
2.298 0.660 0.660 peak 306 weight 1.00000E+00 volume 1.84222E+06 ppm1 1.001 ppm2 2.044
ASSI { 307}
(( segid " A" and resid 10 and name HB ))
( segid " A" and resid 10 and name HG2#)
2.389 0.713 0.713 peak 307 weight 1.00000E+00 volume 3.09442E+05 ppm1 0.887 ppm2 2.048
ASSI { 308}
( segid " A" and resid 10 and name HG1#)
( segid " A" and resid 10 and name HG2#)
2.189 0.599 0.599 peak 308 weight 1.00000E+00 volume 6.96904E+05 ppm1 0.885 ppm2 0.997
ASSI { 309}
(( segid " A" and resid 17 and name HN ))
(( segid " A" and resid 17 and name HA ))
2.657 0.882 0.882 peak 309 weight 1.00000E+00 volume 1.49872E+05 ppm1 8.794 ppm2 4.688
ASSI { 310}
(( segid " A" and resid 17 and name HN ))
(( segid " A" and resid 17 and name HB2 ))
3.055 1.167 1.167 peak 310 weight 1.00000E+00 volume 7.93887E+04 ppm1 8.794 ppm2 3.389
ASSI { 311}
(( segid " A" and resid 17 and name HN ))
(( segid " A" and resid 17 and name HB1 ))
2.852 1.017 1.017 peak 311 weight 1.00000E+00 volume 5.03987E+05 ppm1 8.792 ppm2 3.320
ASSI { 315}
(( segid " A" and resid 17 and name HA ))
(( segid " A" and resid 17 and name HB2 ))
2.910 1.059 1.059 peak 315 weight 1.00000E+00 volume 1.09864E+05 ppm1 4.686 ppm2 3.390
ASSI { 316}
(( segid " A" and resid 17 and name HA ))
(( segid " A" and resid 17 and name HB1 ))
7.625 7.267 7.267 peak 316 weight 1.00000E+00 volume -1.38040E+03 ppm1 4.685 ppm2 3.345
ASSI { 318}
(( segid " A" and resid 17 and name HB2 ))
(( segid " A" and resid 17 and name HB1 ))
2.129 0.567 0.567 peak 318 weight 1.00000E+00 volume 2.90940E+06 ppm1 3.394 ppm2 3.318
ASSI { 321}
(( segid " A" and resid 17 and name HN ))
(( segid " A" and resid 17 and name HA ))
2.868 1.028 1.028 peak 321 weight 1.00000E+00 volume 4.87886E+05 ppm1 4.686 ppm2 8.801
ASSI { 322}
(( segid " A" and resid 17 and name HN ))
(( segid " A" and resid 17 and name HB2 ))
3.229 1.303 1.303 peak 322 weight 1.00000E+00 volume 2.39271E+05 ppm1 3.386 ppm2 8.800
ASSI { 323}
(( segid " A" and resid 17 and name HN ))
(( segid " A" and resid 17 and name HB1 ))
3.041 1.156 1.156 peak 323 weight 1.00000E+00 volume 5.12187E+04 ppm1 3.324 ppm2 8.797
ASSI { 324}
(( segid " A" and resid 17 and name HA ))
(( segid " A" and resid 17 and name HB2 ))
2.916 1.063 1.063 peak 324 weight 1.00000E+00 volume 4.41408E+05 ppm1 3.391 ppm2 4.691
ASSI { 325}
(( segid " A" and resid 17 and name HA ))
(( segid " A" and resid 17 and name HB1 ))
2.957 1.093 1.093 peak 325 weight 1.00000E+00 volume 4.05750E+05 ppm1 3.321 ppm2 4.685
ASSI { 326}
(( segid " A" and resid 17 and name HB2 ))
(( segid " A" and resid 17 and name HB1 ))
2.014 0.507 0.507 peak 326 weight 1.00000E+00 volume 4.06189E+06 ppm1 3.326 ppm2 3.387
ASSI { 327}
(( segid " A" and resid 19 and name HN ))
(( segid " A" and resid 19 and name HA ))
3.084 1.189 1.189 peak 327 weight 1.00000E+00 volume 6.75198E+04 ppm1 7.929 ppm2 4.838
ASSI { 328}
(( segid " A" and resid 19 and name HN ))
(( segid " A" and resid 19 and name HB2 ))
3.250 1.321 1.321 peak 328 weight 1.00000E+00 volume 2.30015E+05 ppm1 7.931 ppm2 3.274
ASSI { 329}
(( segid " A" and resid 19 and name HN ))
(( segid " A" and resid 19 and name HB1 ))
2.888 1.043 1.043 peak 329 weight 1.00000E+00 volume 7.92862E+04 ppm1 7.930 ppm2 2.766
ASSI { 332}
(( segid " A" and resid 19 and name HB2 ))
(( segid " A" and resid 19 and name HB1 ))
2.088 0.545 0.545 peak 332 weight 1.00000E+00 volume 3.27322E+06 ppm1 3.263 ppm2 2.767
ASSI { 334}
(( segid " A" and resid 19 and name HN ))
(( segid " A" and resid 19 and name HB2 ))
3.045 1.159 1.159 peak 334 weight 1.00000E+00 volume 3.40036E+05 ppm1 3.277 ppm2 7.935
ASSI { 335}
(( segid " A" and resid 19 and name HN ))
(( segid " A" and resid 19 and name HB1 ))
2.955 1.091 1.091 peak 335 weight 1.00000E+00 volume 4.61542E+04 ppm1 2.777 ppm2 7.933
ASSI { 337}
(( segid " A" and resid 1 and name HA ))
(( segid " A" and resid 1 and name HB ))
2.835 1.005 1.005 peak 337 weight 1.00000E+00 volume 5.22689E+05 ppm1 3.864 ppm2 1.969
ASSI { 338}
(( segid " A" and resid 1 and name HA ))
(( segid " A" and resid 1 and name HG12))
3.949 1.949 1.949 peak 338 weight 1.00000E+00 volume 2.00523E+04 ppm1 3.863 ppm2 1.489
ASSI { 339}
(( segid " A" and resid 1 and name HA ))
(( segid " A" and resid 1 and name HG11))
3.913 1.914 1.914 peak 339 weight 1.00000E+00 volume 1.61136E+04 ppm1 3.864 ppm2 1.222
ASSI { 341}
(( segid " A" and resid 1 and name HB ))
(( segid " A" and resid 1 and name HG11))
3.586 1.608 1.608 peak 341 weight 1.00000E+00 volume 1.27474E+05 ppm1 1.964 ppm2 1.227
ASSI { 342}
(( segid " A" and resid 1 and name HA ))
( segid " A" and resid 1 and name HD1#)
3.521 1.549 1.549 peak 342 weight 1.00000E+00 volume 1.42424E+05 ppm1 3.865 ppm2 0.929
ASSI { 343}
( segid " A" and resid 1 and name HG2#)
(( segid " A" and resid 1 and name HB ))
3.093 1.196 1.196 peak 343 weight 1.00000E+00 volume 3.09815E+05 ppm1 1.966 ppm2 0.997
ASSI { 344}
(( segid " A" and resid 1 and name HB ))
( segid " A" and resid 1 and name HD1#)
3.890 1.891 1.891 peak 344 weight 1.00000E+00 volume 3.15973E+04 ppm1 1.969 ppm2 0.926
ASSI { 346}
(( segid " A" and resid 1 and name HG11))
( segid " A" and resid 1 and name HD1#)
4.627 2.676 2.676 peak 346 weight 1.00000E+00 volume -2.76403E+04 ppm1 1.205 ppm2 0.930
ASSI { 348}
(( segid " A" and resid 1 and name HA ))
(( segid " A" and resid 1 and name HB ))
2.920 1.066 1.066 peak 348 weight 1.00000E+00 volume 4.37763E+05 ppm1 1.966 ppm2 3.862
ASSI { 349}
(( segid " A" and resid 1 and name HA ))
(( segid " A" and resid 1 and name HG12))
3.981 1.981 1.981 peak 349 weight 1.00000E+00 volume 6.81872E+04 ppm1 1.483 ppm2 3.862
ASSI { 350}
(( segid " A" and resid 1 and name HA ))
(( segid " A" and resid 1 and name HG11))
3.738 1.746 1.746 peak 350 weight 1.00000E+00 volume 1.93739E+04 ppm1 1.219 ppm2 3.866
ASSI { 351}
(( segid " A" and resid 1 and name HA ))
( segid " A" and resid 1 and name HG2#)
2.626 0.862 0.862 peak 351 weight 1.00000E+00 volume 9.07167E+04 ppm1 0.990 ppm2 3.861
ASSI { 352}
(( segid " A" and resid 1 and name HB ))
(( segid " A" and resid 1 and name HG12))
3.276 1.342 1.342 peak 352 weight 1.00000E+00 volume 2.19335E+05 ppm1 1.492 ppm2 1.968
ASSI { 353}
(( segid " A" and resid 1 and name HB ))
(( segid " A" and resid 1 and name HG11))
3.444 1.482 1.482 peak 353 weight 1.00000E+00 volume 1.62682E+05 ppm1 1.227 ppm2 1.962
ASSI { 354}
( segid " A" and resid 1 and name HG2#)
(( segid " A" and resid 1 and name HB ))
2.616 0.856 0.856 peak 354 weight 1.00000E+00 volume 1.81533E+05 ppm1 0.995 ppm2 1.966
ASSI { 355}
(( segid " A" and resid 1 and name HB ))
( segid " A" and resid 1 and name HD1#)
3.102 1.203 1.203 peak 355 weight 1.00000E+00 volume 3.04192E+05 ppm1 0.927 ppm2 1.961
ASSI { 357}
(( segid " A" and resid 1 and name HG12))
(( segid " A" and resid 1 and name HG11))
2.538 0.805 0.805 peak 357 weight 1.00000E+00 volume 1.01506E+06 ppm1 1.491 ppm2 1.225
ASSI { 358}
(( segid " A" and resid 1 and name HG12))
(( segid " A" and resid 1 and name HG11))
2.565 0.823 0.823 peak 358 weight 1.00000E+00 volume 2.71115E+05 ppm1 1.216 ppm2 1.489
ASSI { 359}
(( segid " A" and resid 4 and name HN ))
(( segid " A" and resid 5 and name HN ))
2.886 1.041 1.041 peak 359 weight 1.00000E+00 volume 4.69801E+05 ppm1 8.899 ppm2 8.504
ASSI { 360}
(( segid " A" and resid 4 and name HN ))
(( segid " A" and resid 6 and name HN ))
4.568 2.608 2.608 peak 360 weight 1.00000E+00 volume 2.98561E+04 ppm1 8.899 ppm2 8.171
ASSI { 362}
(( segid " A" and resid 17 and name HN ))
(( segid " A" and resid 19 and name HN ))
4.493 2.524 2.524 peak 362 weight 1.00000E+00 volume 1.52463E+04 ppm1 8.802 ppm2 7.937
ASSI { 364}
(( segid " A" and resid 18 and name HN ))
(( segid " A" and resid 17 and name HN ))
2.832 1.003 1.003 peak 364 weight 1.00000E+00 volume 1.50334E+05 ppm1 8.793 ppm2 7.630
ASSI { 365}
(( segid " A" and resid 5 and name HN ))
(( segid " A" and resid 6 and name HN ))
2.850 1.016 1.016 peak 365 weight 1.00000E+00 volume 2.43347E+05 ppm1 8.508 ppm2 8.169
ASSI { 366}
(( segid " A" and resid 5 and name HN ))
(( segid " A" and resid 7 and name HN ))
4.102 2.103 2.103 peak 366 weight 1.00000E+00 volume 1.53949E+04 ppm1 8.509 ppm2 7.847
ASSI { 368}
(( segid " A" and resid 3 and name HN ))
(( segid " A" and resid 4 and name HN ))
2.938 1.079 1.079 peak 368 weight 1.00000E+00 volume 4.21815E+05 ppm1 8.898 ppm2 8.780
ASSI { 370}
(( segid " A" and resid 8 and name HN ))
(( segid " A" and resid 12 and name HN ))
4.082 2.083 2.083 peak 370 weight 1.00000E+00 volume 2.08945E+04 ppm1 8.529 ppm2 7.962
ASSI { 371}
(( segid " A" and resid 11 and name HN ))
(( segid " A" and resid 12 and name HN ))
2.696 0.909 0.909 peak 371 weight 1.00000E+00 volume 7.06346E+05 ppm1 8.530 ppm2 7.662
ASSI { 372}
(( segid " A" and resid 12 and name HN ))
(( segid " A" and resid 10 and name HN ))
3.731 1.740 1.740 peak 372 weight 1.00000E+00 volume 4.56166E+04 ppm1 8.530 ppm2 7.490
ASSI { 373}
(( segid " A" and resid 12 and name HN ))
(( segid " A" and resid 13 and name HN ))
2.845 1.012 1.012 peak 373 weight 1.00000E+00 volume 1.96806E+05 ppm1 8.530 ppm2 7.397
ASSI { 374}
(( segid " A" and resid 6 and name HN ))
(( segid " A" and resid 7 and name HN ))
2.824 0.997 0.997 peak 374 weight 1.00000E+00 volume 5.34412E+05 ppm1 8.170 ppm2 7.852
ASSI { 375}
(( segid " A" and resid 7 and name HN ))
(( segid " A" and resid 8 and name HN ))
2.671 0.892 0.892 peak 375 weight 1.00000E+00 volume 1.85949E+05 ppm1 7.969 ppm2 7.854
ASSI { 376}
(( segid " A" and resid 18 and name HN ))
(( segid " A" and resid 19 and name HN ))
2.714 0.921 0.921 peak 376 weight 1.00000E+00 volume 6.78232E+05 ppm1 7.930 ppm2 7.629
ASSI { 377}
(( segid " A" and resid 11 and name HN ))
(( segid " A" and resid 10 and name HN ))
2.515 0.790 0.790 peak 377 weight 1.00000E+00 volume 4.25896E+05 ppm1 7.663 ppm2 7.490
ASSI { 378}
(( segid " A" and resid 5 and name HN ))
(( segid " A" and resid 6 and name HN ))
2.818 0.993 0.993 peak 378 weight 1.00000E+00 volume 1.62333E+05 ppm1 8.169 ppm2 8.505
ASSI { 379}
(( segid " A" and resid 4 and name HN ))
(( segid " A" and resid 6 and name HN ))
3.999 1.999 1.999 peak 379 weight 1.00000E+00 volume 6.63180E+04 ppm1 8.170 ppm2 8.897
ASSI { 380}
(( segid " A" and resid 6 and name HN ))
(( segid " A" and resid 7 and name HN ))
2.841 1.009 1.009 peak 380 weight 1.00000E+00 volume 5.15937E+05 ppm1 7.849 ppm2 8.169
ASSI { 381}
(( segid " A" and resid 7 and name HN ))
(( segid " A" and resid 8 and name HN ))
2.576 0.829 0.829 peak 381 weight 1.00000E+00 volume 9.28382E+05 ppm1 7.849 ppm2 7.962
ASSI { 382}
(( segid " A" and resid 5 and name HN ))
(( segid " A" and resid 7 and name HN ))
3.810 1.814 1.814 peak 382 weight 1.00000E+00 volume 8.87309E+04 ppm1 7.850 ppm2 8.500
ASSI { 383}
(( segid " A" and resid 8 and name HN ))
(( segid " A" and resid 12 and name HN ))
3.672 1.685 1.685 peak 383 weight 1.00000E+00 volume 1.10656E+05 ppm1 7.965 ppm2 8.525
ASSI { 384}
(( segid " A" and resid 18 and name HN ))
(( segid " A" and resid 19 and name HN ))
2.691 0.905 0.905 peak 384 weight 1.00000E+00 volume 1.57006E+05 ppm1 7.629 ppm2 7.933
ASSI { 385}
(( segid " A" and resid 6 and name HN ))
(( segid " A" and resid 8 and name HN ))
3.676 1.689 1.689 peak 385 weight 1.00000E+00 volume 2.62682E+04 ppm1 7.968 ppm2 8.167
ASSI { 386}
(( segid " A" and resid 11 and name HN ))
(( segid " A" and resid 10 and name HN ))
2.580 0.832 0.832 peak 386 weight 1.00000E+00 volume 2.04364E+05 ppm1 7.490 ppm2 7.663
ASSI { 387}
(( segid " A" and resid 4 and name HN ))
(( segid " A" and resid 5 and name HN ))
2.785 0.970 0.970 peak 387 weight 1.00000E+00 volume 2.23759E+05 ppm1 8.506 ppm2 8.897
ASSI { 388}
(( segid " A" and resid 8 and name HA ))
(( segid " A" and resid 10 and name HN ))
3.664 1.678 1.678 peak 388 weight 1.00000E+00 volume 1.12202E+05 ppm1 7.494 ppm2 5.304
ASSI { 389}
(( segid " A" and resid 8 and name HA ))
(( segid " A" and resid 9 and name HD2 ))
2.372 0.704 0.704 peak 389 weight 1.00000E+00 volume 1.52142E+06 ppm1 5.302 ppm2 4.043
ASSI { 391}
(( segid " A" and resid 9 and name HA ))
(( segid " A" and resid 9 and name HD2 ))
3.521 1.550 1.550 peak 391 weight 1.00000E+00 volume -4.93301E+03 ppm1 4.134 ppm2 4.046
ASSI { 392}
(( segid " A" and resid 9 and name HB1 ))
(( segid " A" and resid 9 and name HA ))
2.470 0.763 0.763 peak 392 weight 1.00000E+00 volume 1.19423E+06 ppm1 4.128 ppm2 2.399
ASSI { 393}
(( segid " A" and resid 12 and name HG2 ))
(( segid " A" and resid 9 and name HA ))
2.587 0.837 0.837 peak 393 weight 1.00000E+00 volume 1.82266E+05 ppm1 4.129 ppm2 2.032
OR { 393}
(( segid " A" and resid 11 and name HB2 ))
(( segid " A" and resid 12 and name HG2 ))
ASSI { 394}
(( segid " A" and resid 9 and name HA ))
(( segid " A" and resid 9 and name HG2 ))
3.445 1.484 1.484 peak 394 weight 1.00000E+00 volume 3.97148E+04 ppm1 4.129 ppm2 2.146
ASSI { 395}
(( segid " A" and resid 9 and name HA ))
(( segid " A" and resid 9 and name HD1 ))
3.369 1.419 1.419 peak 395 weight 1.00000E+00 volume 1.85372E+05 ppm1 4.128 ppm2 3.954
ASSI { 397}
(( segid " A" and resid 9 and name HD2 ))
(( segid " A" and resid 9 and name HD1 ))
2.027 0.514 0.514 peak 397 weight 1.00000E+00 volume 7.01851E+05 ppm1 4.038 ppm2 3.953
ASSI { 398}
(( segid " A" and resid 9 and name HB1 ))
(( segid " A" and resid 9 and name HD2 ))
3.459 1.496 1.496 peak 398 weight 1.00000E+00 volume 1.58319E+05 ppm1 4.041 ppm2 2.399
ASSI { 399}
(( segid " A" and resid 9 and name HD2 ))
(( segid " A" and resid 9 and name HG2 ))
2.894 1.047 1.047 peak 399 weight 1.00000E+00 volume 4.61530E+05 ppm1 4.041 ppm2 2.148
ASSI { 400}
(( segid " A" and resid 9 and name HB2 ))
(( segid " A" and resid 9 and name HA ))
2.787 0.971 0.971 peak 400 weight 1.00000E+00 volume 7.00206E+04 ppm1 4.132 ppm2 2.076
ASSI { 401}
(( segid " A" and resid 9 and name HB2 ))
(( segid " A" and resid 9 and name HD2 ))
2.771 0.960 0.960 peak 401 weight 1.00000E+00 volume 5.98983E+05 ppm1 4.042 ppm2 2.068
ASSI { 403}
(( segid " A" and resid 9 and name HB1 ))
(( segid " A" and resid 9 and name HD1 ))
3.576 1.599 1.599 peak 403 weight 1.00000E+00 volume 1.29619E+05 ppm1 3.960 ppm2 2.397
ASSI { 404}
(( segid " A" and resid 9 and name HD1 ))
(( segid " A" and resid 9 and name HG2 ))
2.716 0.922 0.922 peak 404 weight 1.00000E+00 volume 1.33516E+05 ppm1 3.955 ppm2 2.150
ASSI { 405}
(( segid " A" and resid 9 and name HB2 ))
(( segid " A" and resid 9 and name HD1 ))
2.706 0.915 0.915 peak 405 weight 1.00000E+00 volume 6.90690E+05 ppm1 3.956 ppm2 2.073
ASSI { 407}
(( segid " A" and resid 9 and name HB1 ))
(( segid " A" and resid 9 and name HG2 ))
2.974 1.106 1.106 peak 407 weight 1.00000E+00 volume 3.91905E+05 ppm1 2.398 ppm2 2.147
ASSI { 408}
(( segid " A" and resid 9 and name HB2 ))
(( segid " A" and resid 9 and name HB1 ))
2.394 0.716 0.716 peak 408 weight 1.00000E+00 volume 1.44269E+06 ppm1 2.398 ppm2 2.067
ASSI { 410}
(( segid " A" and resid 9 and name HB2 ))
(( segid " A" and resid 9 and name HG2 ))
2.154 0.580 0.580 peak 410 weight 1.00000E+00 volume 2.71562E+06 ppm1 2.139 ppm2 2.071
ASSI { 412}
(( segid " A" and resid 11 and name HB2 ))
(( segid " A" and resid 11 and name HB1 ))
2.244 0.629 0.629 peak 412 weight 1.00000E+00 volume 2.12671E+06 ppm1 3.305 ppm2 4.134
ASSI { 413}
(( segid " A" and resid 9 and name HB1 ))
(( segid " A" and resid 9 and name HA ))
2.534 0.803 0.803 peak 413 weight 1.00000E+00 volume 2.48801E+05 ppm1 2.397 ppm2 4.135
ASSI { 414}
(( segid " A" and resid 9 and name HA ))
(( segid " A" and resid 9 and name HG2 ))
3.391 1.438 1.438 peak 414 weight 1.00000E+00 volume 1.78264E+05 ppm1 2.145 ppm2 4.135
ASSI { 415}
(( segid " A" and resid 9 and name HB2 ))
(( segid " A" and resid 9 and name HA ))
3.006 1.130 1.130 peak 415 weight 1.00000E+00 volume 8.29251E+04 ppm1 2.074 ppm2 4.136
ASSI { 416}
(( segid " A" and resid 9 and name HB2 ))
(( segid " A" and resid 9 and name HD2 ))
2.916 1.063 1.063 peak 416 weight 1.00000E+00 volume 4.41354E+05 ppm1 2.079 ppm2 4.044
ASSI { 417}
(( segid " A" and resid 9 and name HD2 ))
(( segid " A" and resid 9 and name HG2 ))
2.891 1.044 1.044 peak 417 weight 1.00000E+00 volume 4.65095E+05 ppm1 2.148 ppm2 4.045
ASSI { 418}
(( segid " A" and resid 9 and name HB1 ))
(( segid " A" and resid 9 and name HD2 ))
3.765 1.772 1.772 peak 418 weight 1.00000E+00 volume 9.52766E+04 ppm1 2.390 ppm2 4.042
ASSI { 419}
(( segid " A" and resid 9 and name HD2 ))
(( segid " A" and resid 9 and name HD1 ))
1.848 0.427 0.427 peak 419 weight 1.00000E+00 volume 6.82089E+06 ppm1 3.960 ppm2 4.040
ASSI { 420}
(( segid " A" and resid 9 and name HB1 ))
(( segid " A" and resid 9 and name HD1 ))
3.653 1.668 1.668 peak 420 weight 1.00000E+00 volume 1.14153E+05 ppm1 2.396 ppm2 3.955
ASSI { 421}
(( segid " A" and resid 9 and name HD1 ))
(( segid " A" and resid 9 and name HG2 ))
2.733 0.934 0.934 peak 421 weight 1.00000E+00 volume 6.50981E+05 ppm1 2.148 ppm2 3.954
ASSI { 422}
(( segid " A" and resid 9 and name HB2 ))
(( segid " A" and resid 9 and name HD1 ))
2.942 1.082 1.082 peak 422 weight 1.00000E+00 volume 7.46630E+04 ppm1 2.075 ppm2 3.953
ASSI { 423}
(( segid " A" and resid 9 and name HB1 ))
(( segid " A" and resid 9 and name HG2 ))
2.705 0.915 0.915 peak 423 weight 1.00000E+00 volume 1.07499E+05 ppm1 2.148 ppm2 2.401
ASSI { 424}
(( segid " A" and resid 9 and name HB2 ))
(( segid " A" and resid 9 and name HB1 ))
2.592 0.840 0.840 peak 424 weight 1.00000E+00 volume 1.45987E+05 ppm1 2.070 ppm2 2.401
ASSI { 425}
(( segid " A" and resid 9 and name HB2 ))
(( segid " A" and resid 9 and name HG2 ))
2.091 0.547 0.547 peak 425 weight 1.00000E+00 volume 4.67652E+05 ppm1 2.077 ppm2 2.147
ASSI { 426}
(( segid " A" and resid 16 and name HA ))
(( segid " A" and resid 16 and name HD22))
3.848 1.851 1.851 peak 426 weight 1.00000E+00 volume 8.35751E+04 ppm1 4.529 ppm2 3.523
ASSI { 427}
(( segid " A" and resid 16 and name HA ))
(( segid " A" and resid 16 and name HB2 ))
2.320 0.673 0.673 peak 427 weight 1.00000E+00 volume 1.73979E+06 ppm1 4.528 ppm2 2.218
ASSI { 428}
(( segid " A" and resid 16 and name HA ))
(( segid " A" and resid 16 and name HB3 ))
2.611 0.852 0.852 peak 428 weight 1.00000E+00 volume 2.51728E+05 ppm1 4.528 ppm2 1.907
ASSI { 430}
(( segid " A" and resid 16 and name HG ))
(( segid " A" and resid 16 and name HD1 ))
2.688 0.903 0.903 peak 430 weight 1.00000E+00 volume 2.15331E+05 ppm1 4.334 ppm2 3.804
ASSI { 431}
(( segid " A" and resid 16 and name HD22))
(( segid " A" and resid 16 and name HG ))
2.840 1.008 1.008 peak 431 weight 1.00000E+00 volume 1.49185E+05 ppm1 4.334 ppm2 3.525
ASSI { 432}
(( segid " A" and resid 16 and name HB2 ))
(( segid " A" and resid 16 and name HG ))
2.884 1.040 1.040 peak 432 weight 1.00000E+00 volume 1.24707E+05 ppm1 4.334 ppm2 2.217
ASSI { 433}
(( segid " A" and resid 16 and name HB3 ))
(( segid " A" and resid 16 and name HG ))
2.632 0.866 0.866 peak 433 weight 1.00000E+00 volume 8.16784E+05 ppm1 4.334 ppm2 1.905
ASSI { 435}
(( segid " A" and resid 16 and name HD22))
(( segid " A" and resid 16 and name HD1 ))
2.059 0.530 0.530 peak 435 weight 1.00000E+00 volume 3.56099E+06 ppm1 3.798 ppm2 3.524
ASSI { 436}
(( segid " A" and resid 16 and name HB2 ))
(( segid " A" and resid 16 and name HD1 ))
3.593 1.614 1.614 peak 436 weight 1.00000E+00 volume 3.34300E+04 ppm1 3.799 ppm2 2.217
ASSI { 437}
(( segid " A" and resid 16 and name HB3 ))
(( segid " A" and resid 16 and name HD1 ))
3.210 1.288 1.288 peak 437 weight 1.00000E+00 volume 2.48074E+05 ppm1 3.797 ppm2 1.906
ASSI { 440}
(( segid " A" and resid 16 and name HD22))
(( segid " A" and resid 16 and name HB2 ))
3.404 1.448 1.448 peak 440 weight 1.00000E+00 volume 1.74429E+05 ppm1 3.528 ppm2 2.218
ASSI { 441}
(( segid " A" and resid 16 and name HD22))
(( segid " A" and resid 16 and name HB3 ))
3.485 1.518 1.518 peak 441 weight 1.00000E+00 volume 3.17777E+04 ppm1 3.528 ppm2 1.905
ASSI { 443}
(( segid " A" and resid 16 and name HB2 ))
(( segid " A" and resid 16 and name HB3 ))
2.131 0.568 0.568 peak 443 weight 1.00000E+00 volume 6.35764E+05 ppm1 2.217 ppm2 1.906
ASSI { 445}
(( segid " A" and resid 16 and name HB2 ))
(( segid " A" and resid 16 and name HB3 ))
2.137 0.571 0.571 peak 445 weight 1.00000E+00 volume 5.71871E+05 ppm1 1.905 ppm2 2.217
ASSI { 446}
(( segid " A" and resid 16 and name HD22))
(( segid " A" and resid 16 and name HB3 ))
3.669 1.683 1.683 peak 446 weight 1.00000E+00 volume 2.79437E+04 ppm1 1.912 ppm2 3.525
ASSI { 448}
(( segid " A" and resid 16 and name HD22))
(( segid " A" and resid 16 and name HB2 ))
3.380 1.428 1.428 peak 448 weight 1.00000E+00 volume 1.82088E+05 ppm1 2.217 ppm2 3.525
ASSI { 449}
(( segid " A" and resid 16 and name HB3 ))
(( segid " A" and resid 16 and name HD1 ))
3.277 1.342 1.342 peak 449 weight 1.00000E+00 volume 2.19035E+05 ppm1 1.898 ppm2 3.803
ASSI { 450}
(( segid " A" and resid 16 and name HB2 ))
(( segid " A" and resid 16 and name HD1 ))
3.590 1.611 1.611 peak 450 weight 1.00000E+00 volume 1.26794E+05 ppm1 2.217 ppm2 3.805
ASSI { 451}
(( segid " A" and resid 16 and name HD22))
(( segid " A" and resid 16 and name HD1 ))
2.146 0.576 0.576 peak 451 weight 1.00000E+00 volume 7.36819E+05 ppm1 3.528 ppm2 3.805
ASSI { 452}
(( segid " A" and resid 16 and name HG ))
(( segid " A" and resid 16 and name HD1 ))
2.935 1.077 1.077 peak 452 weight 1.00000E+00 volume 4.24139E+05 ppm1 3.797 ppm2 4.328
ASSI { 453}
(( segid " A" and resid 16 and name HD22))
(( segid " A" and resid 16 and name HG ))
3.401 1.446 1.446 peak 453 weight 1.00000E+00 volume 1.75344E+05 ppm1 3.520 ppm2 4.325
ASSI { 454}
(( segid " A" and resid 16 and name HB2 ))
(( segid " A" and resid 16 and name HG ))
3.121 1.218 1.218 peak 454 weight 1.00000E+00 volume 2.93257E+05 ppm1 2.217 ppm2 4.331
ASSI { 455}
(( segid " A" and resid 16 and name HB3 ))
(( segid " A" and resid 16 and name HG ))
2.815 0.990 0.990 peak 455 weight 1.00000E+00 volume 9.92611E+04 ppm1 1.901 ppm2 4.335
ASSI { 456}
(( segid " A" and resid 3 and name HA ))
(( segid " A" and resid 4 and name HN ))
2.355 0.693 0.693 peak 456 weight 1.00000E+00 volume 1.59108E+06 ppm1 8.900 ppm2 4.603
ASSI { 457}
(( segid " A" and resid 2 and name HA ))
(( segid " A" and resid 4 and name HN ))
4.324 2.337 2.337 peak 457 weight 1.00000E+00 volume 4.14905E+04 ppm1 8.895 ppm2 4.348
ASSI { 458}
(( segid " A" and resid 17 and name HN ))
(( segid " A" and resid 16 and name HA ))
2.605 0.848 0.848 peak 458 weight 1.00000E+00 volume 8.67859E+05 ppm1 8.794 ppm2 4.531
ASSI { 460}
(( segid " A" and resid 3 and name HA ))
(( segid " A" and resid 5 and name HN ))
3.443 1.481 1.481 peak 460 weight 1.00000E+00 volume 1.62960E+05 ppm1 8.508 ppm2 4.603
ASSI { 462}
(( segid " A" and resid 3 and name HA ))
(( segid " A" and resid 6 and name HN ))
3.812 1.816 1.816 peak 462 weight 1.00000E+00 volume 8.84387E+04 ppm1 8.168 ppm2 4.605
ASSI { 463}
(( segid " A" and resid 4 and name HA ))
(( segid " A" and resid 5 and name HN ))
2.725 0.928 0.928 peak 463 weight 1.00000E+00 volume 2.29423E+05 ppm1 8.508 ppm2 4.232
ASSI { 464}
(( segid " A" and resid 11 and name HB2 ))
(( segid " A" and resid 12 and name HN ))
2.871 1.030 1.030 peak 464 weight 1.00000E+00 volume 1.42818E+05 ppm1 8.530 ppm2 4.134
ASSI { 465}
(( segid " A" and resid 11 and name HA ))
(( segid " A" and resid 12 and name HN ))
3.052 1.164 1.164 peak 465 weight 1.00000E+00 volume 9.76663E+04 ppm1 8.530 ppm2 4.207
ASSI { 466}
(( segid " A" and resid 18 and name HA ))
(( segid " A" and resid 19 and name HN ))
2.878 1.035 1.035 peak 466 weight 1.00000E+00 volume 1.41199E+05 ppm1 7.930 ppm2 4.232
ASSI { 467}
(( segid " A" and resid 7 and name HA ))
(( segid " A" and resid 8 and name HN ))
3.318 1.376 1.376 peak 467 weight 1.00000E+00 volume 6.42332E+04 ppm1 7.969 ppm2 4.513
ASSI { 468}
(( segid " A" and resid 7 and name HB2 ))
(( segid " A" and resid 8 and name HN ))
3.521 1.550 1.550 peak 468 weight 1.00000E+00 volume 1.42381E+05 ppm1 7.970 ppm2 4.021
ASSI { 469}
(( segid " A" and resid 7 and name HB1 ))
(( segid " A" and resid 8 and name HN ))
3.490 1.523 1.523 peak 469 weight 1.00000E+00 volume 1.50027E+05 ppm1 7.970 ppm2 3.970
ASSI { 470}
(( segid " A" and resid 2 and name HN ))
(( segid " A" and resid 1 and name HA ))
2.389 0.713 0.713 peak 470 weight 1.00000E+00 volume 1.46054E+06 ppm1 8.791 ppm2 3.863
ASSI { 471}
(( segid " A" and resid 12 and name HG2 ))
(( segid " A" and resid 13 and name HN ))
3.149 1.240 1.240 peak 471 weight 1.00000E+00 volume 5.80176E+04 ppm1 7.401 ppm2 2.020
ASSI { 472}
(( segid " A" and resid 12 and name HG1 ))
(( segid " A" and resid 13 and name HN ))
2.954 1.091 1.091 peak 472 weight 1.00000E+00 volume 8.48681E+04 ppm1 7.401 ppm2 1.858
ASSI { 473}
(( segid " A" and resid 12 and name HB2 ))
(( segid " A" and resid 12 and name HE ))
3.620 1.638 1.638 peak 473 weight 1.00000E+00 volume 2.08807E+04 ppm1 7.399 ppm2 1.730
ASSI { 474}
(( segid " A" and resid 12 and name HB1 ))
(( segid " A" and resid 13 and name HN ))
3.510 1.540 1.540 peak 474 weight 1.00000E+00 volume 1.45125E+05 ppm1 7.397 ppm2 1.598
ASSI { 475}
(( segid " A" and resid 11 and name HN ))
(( segid " A" and resid 10 and name HB ))
2.634 0.867 0.867 peak 475 weight 1.00000E+00 volume 1.93423E+05 ppm1 7.663 ppm2 2.047
ASSI { 476}
(( segid " A" and resid 10 and name HN ))
(( segid " A" and resid 9 and name HG2 ))
3.202 1.282 1.282 peak 476 weight 1.00000E+00 volume 2.51576E+05 ppm1 7.490 ppm2 2.151
ASSI { 477}
(( segid " A" and resid 18 and name HB ))
(( segid " A" and resid 19 and name HN ))
3.213 1.290 1.290 peak 477 weight 1.00000E+00 volume 2.46777E+05 ppm1 7.928 ppm2 2.196
ASSI { 478}
(( segid " A" and resid 17 and name HN ))
(( segid " A" and resid 16 and name HB2 ))
3.297 1.359 1.359 peak 478 weight 1.00000E+00 volume 2.11230E+05 ppm1 8.794 ppm2 2.212
ASSI { 479}
(( segid " A" and resid 2 and name HN ))
(( segid " A" and resid 1 and name HB ))
3.058 1.169 1.169 peak 479 weight 1.00000E+00 volume 7.07990E+04 ppm1 8.793 ppm2 1.972
ASSI { 480}
(( segid " A" and resid 17 and name HN ))
(( segid " A" and resid 16 and name HB3 ))
3.345 1.398 1.398 peak 480 weight 1.00000E+00 volume 1.93807E+05 ppm1 8.798 ppm2 1.906
ASSI { 481}
( segid " A" and resid 18 and name HG1#)
(( segid " A" and resid 19 and name HN ))
3.202 1.282 1.282 peak 481 weight 1.00000E+00 volume 2.51528E+05 ppm1 7.931 ppm2 0.971
ASSI { 482}
( segid " A" and resid 18 and name HG1#)
(( segid " A" and resid 15 and name HD21))
3.708 1.719 1.719 peak 482 weight 1.00000E+00 volume 1.04365E+05 ppm1 7.830 ppm2 0.974
ASSI { 483}
(( segid " A" and resid 17 and name HN ))
(( segid " A" and resid 19 and name HN ))
4.138 2.140 2.140 peak 483 weight 1.00000E+00 volume 5.40529E+04 ppm1 7.932 ppm2 8.796
ASSI { 484}
(( segid " A" and resid 18 and name HN ))
(( segid " A" and resid 17 and name HN ))
2.854 1.018 1.018 peak 484 weight 1.00000E+00 volume 5.02296E+05 ppm1 7.629 ppm2 8.798
ASSI { 485}
(( segid " A" and resid 11 and name HN ))
(( segid " A" and resid 12 and name HN ))
2.682 0.899 0.899 peak 485 weight 1.00000E+00 volume 7.29007E+05 ppm1 7.662 ppm2 8.527
ASSI { 486}
(( segid " A" and resid 12 and name HN ))
(( segid " A" and resid 10 and name HN ))
3.890 1.891 1.891 peak 486 weight 1.00000E+00 volume 2.13792E+04 ppm1 7.487 ppm2 8.525
ASSI { 487}
(( segid " A" and resid 12 and name HN ))
(( segid " A" and resid 13 and name HN ))
2.938 1.079 1.079 peak 487 weight 1.00000E+00 volume 4.22150E+05 ppm1 7.399 ppm2 8.528
ASSI { 488}
(( segid " A" and resid 15 and name HA ))
(( segid " A" and resid 17 and name HN ))
4.004 2.004 2.004 peak 488 weight 1.00000E+00 volume 1.88549E+04 ppm1 8.800 ppm2 5.151
ASSI { 489}
(( segid " A" and resid 10 and name HN ))
(( segid " A" and resid 9 and name HD1 ))
3.130 1.225 1.225 peak 489 weight 1.00000E+00 volume 2.88296E+05 ppm1 7.491 ppm2 3.954
ASSI { 490}
(( segid " A" and resid 10 and name HN ))
(( segid " A" and resid 9 and name HD2 ))
3.906 1.907 1.907 peak 490 weight 1.00000E+00 volume 7.63502E+04 ppm1 7.490 ppm2 4.043
ASSI { 491}
(( segid " A" and resid 11 and name HB2 ))
(( segid " A" and resid 10 and name HN ))
3.481 1.514 1.514 peak 491 weight 1.00000E+00 volume 1.52595E+05 ppm1 7.492 ppm2 4.136
ASSI { 492}
(( segid " A" and resid 5 and name HA ))
(( segid " A" and resid 8 and name HB2 ))
3.383 1.430 1.430 peak 492 weight 1.00000E+00 volume 1.81079E+05 ppm1 4.470 ppm2 3.213
ASSI { 493}
(( segid " A" and resid 12 and name HG1 ))
(( segid " A" and resid 9 and name HA ))
2.947 1.086 1.086 peak 493 weight 1.00000E+00 volume 4.14029E+05 ppm1 4.131 ppm2 1.856
ASSI { 494}
(( segid " A" and resid 12 and name HB2 ))
(( segid " A" and resid 9 and name HA ))
3.543 1.569 1.569 peak 494 weight 1.00000E+00 volume 1.37140E+05 ppm1 4.129 ppm2 1.728
ASSI { 495}
(( segid " A" and resid 12 and name HB1 ))
(( segid " A" and resid 9 and name HA ))
3.524 1.553 1.553 peak 495 weight 1.00000E+00 volume 3.54155E+04 ppm1 4.129 ppm2 1.604
ASSI { 496}
(( segid " A" and resid 13 and name HB ))
(( segid " A" and resid 10 and name HA ))
3.334 1.390 1.390 peak 496 weight 1.00000E+00 volume 1.97404E+05 ppm1 3.747 ppm2 2.164
ASSI { 497}
(( segid " A" and resid 15 and name HB1 ))
(( segid " A" and resid 16 and name HD22))
3.653 1.668 1.668 peak 497 weight 1.00000E+00 volume 1.98298E+04 ppm1 3.523 ppm2 2.689
ASSI { 498}
(( segid " A" and resid 15 and name HB1 ))
(( segid " A" and resid 16 and name HD1 ))
3.546 1.572 1.572 peak 498 weight 1.00000E+00 volume 2.89212E+04 ppm1 3.797 ppm2 2.689
ASSI { 499}
(( segid " A" and resid 12 and name HA ))
(( segid " A" and resid 15 and name HB1 ))
3.423 1.465 1.465 peak 499 weight 1.00000E+00 volume 1.68549E+05 ppm1 3.950 ppm2 2.695
ASSI { 500}
(( segid " A" and resid 6 and name HA ))
(( segid " A" and resid 12 and name HG2 ))
2.961 1.096 1.096 peak 500 weight 1.00000E+00 volume 4.02634E+05 ppm1 4.368 ppm2 2.017
ASSI { 501}
(( segid " A" and resid 18 and name HB ))
(( segid " A" and resid 15 and name HB1 ))
2.979 1.109 1.109 peak 501 weight 1.00000E+00 volume 3.88103E+05 ppm1 2.194 ppm2 2.686
ASSI { 503}
(( segid " A" and resid 18 and name HB ))
(( segid " A" and resid 15 and name HB1 ))
3.293 1.356 1.356 peak 503 weight 1.00000E+00 volume 2.12569E+05 ppm1 2.681 ppm2 2.198
ASSI { 504}
(( segid " A" and resid 1 and name HB ))
(( segid " A" and resid 1 and name HG12))
3.368 1.418 1.418 peak 504 weight 1.00000E+00 volume 1.85959E+05 ppm1 1.968 ppm2 1.495
ASSI { 505}
(( segid " A" and resid 6 and name HA ))
(( segid " A" and resid 12 and name HA ))
3.784 1.790 1.790 peak 505 weight 1.00000E+00 volume 4.57914E+04 ppm1 4.368 ppm2 3.949
ASSI { 506}
(( segid " A" and resid 8 and name HB2 ))
(( segid " A" and resid 11 and name HN ))
3.134 1.228 1.228 peak 506 weight 1.00000E+00 volume 6.45337E+04 ppm1 7.663 ppm2 3.208
ASSI { 507}
(( segid " A" and resid 7 and name HN ))
(( segid " A" and resid 12 and name HD2 ))
3.553 1.578 1.578 peak 507 weight 1.00000E+00 volume 1.34739E+05 ppm1 7.849 ppm2 3.277
ASSI { 508}
(( segid " A" and resid 11 and name HN ))
(( segid " A" and resid 10 and name HA ))
3.276 1.342 1.342 peak 508 weight 1.00000E+00 volume 2.19435E+05 ppm1 7.662 ppm2 3.747
ASSI { 509}
(( segid " A" and resid 13 and name HN ))
(( segid " A" and resid 10 and name HA ))
3.715 1.726 1.726 peak 509 weight 1.00000E+00 volume 1.03121E+05 ppm1 7.400 ppm2 3.748
ASSI { 510}
(( segid " A" and resid 13 and name HA ))
(( segid " A" and resid 14 and name HN ))
3.201 1.281 1.281 peak 510 weight 1.00000E+00 volume 8.45445E+04 ppm1 7.613 ppm2 3.882
ASSI { 511}
(( segid " A" and resid 2 and name HA ))
(( segid " A" and resid 3 and name HN ))
2.208 0.609 0.609 peak 511 weight 1.00000E+00 volume 7.00483E+05 ppm1 8.777 ppm2 4.348
ASSI { 512}
(( segid " A" and resid 15 and name HN ))
(( segid " A" and resid 16 and name HD22))
3.282 1.346 1.346 peak 512 weight 1.00000E+00 volume 2.17070E+05 ppm1 7.632 ppm2 3.523
ASSI { 513}
(( segid " A" and resid 12 and name HA ))
(( segid " A" and resid 13 and name HN ))
3.291 1.354 1.354 peak 513 weight 1.00000E+00 volume 2.13659E+05 ppm1 7.401 ppm2 3.950
ASSI { 514}
(( segid " A" and resid 17 and name HN ))
(( segid " A" and resid 16 and name HD1 ))
3.880 1.881 1.881 peak 514 weight 1.00000E+00 volume 2.93844E+04 ppm1 8.790 ppm2 3.799
ASSI { 515}
(( segid " A" and resid 3 and name HB2 ))
(( segid " A" and resid 4 and name HN ))
3.216 1.293 1.293 peak 515 weight 1.00000E+00 volume 5.49137E+04 ppm1 8.901 ppm2 2.915
ASSI { 516}
(( segid " A" and resid 3 and name HB1 ))
(( segid " A" and resid 4 and name HN ))
3.067 1.176 1.176 peak 516 weight 1.00000E+00 volume 3.25800E+05 ppm1 8.900 ppm2 2.845
ASSI { 517}
(( segid " A" and resid 6 and name HN ))
(( segid " A" and resid 19 and name HB1 ))
2.802 0.982 0.982 peak 517 weight 1.00000E+00 volume 5.60226E+05 ppm1 8.169 ppm2 2.761
OR { 517}
(( segid " A" and resid 5 and name HB1 ))
(( segid " A" and resid 6 and name HN ))
ASSI { 518}
(( segid " A" and resid 8 and name HB1 ))
(( segid " A" and resid 8 and name HD21))
2.873 1.032 1.032 peak 518 weight 1.00000E+00 volume 1.12643E+05 ppm1 8.028 ppm2 2.882
ASSI { 519}
(( segid " A" and resid 3 and name HB1 ))
(( segid " A" and resid 4 and name HN ))
3.231 1.305 1.305 peak 519 weight 1.00000E+00 volume 6.95728E+04 ppm1 2.851 ppm2 8.895
ASSI { 520}
(( segid " A" and resid 3 and name HB2 ))
(( segid " A" and resid 4 and name HN ))
3.390 1.437 1.437 peak 520 weight 1.00000E+00 volume 1.78706E+05 ppm1 2.911 ppm2 8.899
ASSI { 521}
(( segid " A" and resid 2 and name HN ))
(( segid " A" and resid 1 and name HA ))
2.304 0.664 0.664 peak 521 weight 1.00000E+00 volume 1.81264E+06 ppm1 3.866 ppm2 8.797
ASSI { 522}
(( segid " A" and resid 3 and name HA ))
(( segid " A" and resid 4 and name HN ))
2.311 0.667 0.667 peak 522 weight 1.00000E+00 volume 1.78285E+06 ppm1 4.598 ppm2 8.897
ASSI { 523}
(( segid " A" and resid 17 and name HN ))
(( segid " A" and resid 16 and name HA ))
2.554 0.815 0.815 peak 523 weight 1.00000E+00 volume 3.19823E+05 ppm1 4.529 ppm2 8.798
ASSI { 524}
(( segid " A" and resid 4 and name HN ))
(( segid " A" and resid 5 and name HA ))
3.763 1.770 1.770 peak 524 weight 1.00000E+00 volume 2.63213E+04 ppm1 4.464 ppm2 8.898
ASSI { 525}
(( segid " A" and resid 4 and name HA ))
(( segid " A" and resid 5 and name HN ))
2.845 1.012 1.012 peak 525 weight 1.00000E+00 volume 5.11422E+05 ppm1 4.230 ppm2 8.506
ASSI { 526}
(( segid " A" and resid 12 and name HG1 ))
(( segid " A" and resid 9 and name HA ))
2.915 1.062 1.062 peak 526 weight 1.00000E+00 volume 1.05075E+05 ppm1 1.855 ppm2 4.136
ASSI { 527}
(( segid " A" and resid 11 and name HB2 ))
(( segid " A" and resid 12 and name HB2 ))
3.313 1.372 1.372 peak 527 weight 1.00000E+00 volume 5.07262E+04 ppm1 1.728 ppm2 4.136
ASSI { 528}
(( segid " A" and resid 12 and name HB1 ))
(( segid " A" and resid 9 and name HA ))
3.235 1.308 1.308 peak 528 weight 1.00000E+00 volume 2.36611E+05 ppm1 1.597 ppm2 4.136
ASSI { 529}
(( segid " A" and resid 6 and name HA ))
(( segid " A" and resid 12 and name HG2 ))
3.065 1.174 1.174 peak 529 weight 1.00000E+00 volume 6.81392E+04 ppm1 2.016 ppm2 4.370
ASSI { 530}
(( segid " A" and resid 13 and name HB ))
(( segid " A" and resid 10 and name HA ))
3.458 1.495 1.495 peak 530 weight 1.00000E+00 volume 3.34677E+04 ppm1 2.163 ppm2 3.747
ASSI { 531}
( segid " A" and resid 13 and name HG2#)
(( segid " A" and resid 10 and name HA ))
3.053 1.165 1.165 peak 531 weight 1.00000E+00 volume 3.34931E+05 ppm1 1.060 ppm2 3.746
ASSI { 532}
(( segid " A" and resid 8 and name HB2 ))
(( segid " A" and resid 11 and name HA ))
3.559 1.583 1.583 peak 532 weight 1.00000E+00 volume 3.18418E+04 ppm1 4.198 ppm2 3.212
ASSI { 533}
(( segid " A" and resid 8 and name HB2 ))
(( segid " A" and resid 11 and name HB2 ))
3.227 1.302 1.302 peak 533 weight 1.00000E+00 volume 2.40264E+05 ppm1 4.129 ppm2 3.212
ASSI { 534}
(( segid " A" and resid 17 and name HN ))
(( segid " A" and resid 16 and name HD22))
4.084 2.085 2.085 peak 534 weight 1.00000E+00 volume 2.14335E+04 ppm1 8.788 ppm2 3.525
ASSI { 535}
(( segid " A" and resid 4 and name HB1 ))
(( segid " A" and resid 5 and name HN ))
3.035 1.152 1.152 peak 535 weight 1.00000E+00 volume 3.46861E+05 ppm1 8.510 ppm2 2.048
ASSI { 536}
(( segid " A" and resid 4 and name HB2 ))
(( segid " A" and resid 5 and name HN ))
3.219 1.296 1.296 peak 536 weight 1.00000E+00 volume 5.56876E+04 ppm1 8.508 ppm2 2.179
ASSI { 537}
(( segid " A" and resid 4 and name HG2 ))
(( segid " A" and resid 5 and name HN ))
3.761 1.768 1.768 peak 537 weight 1.00000E+00 volume 9.58643E+04 ppm1 8.509 ppm2 2.503
ASSI { 538}
(( segid " A" and resid 8 and name HB1 ))
(( segid " A" and resid 12 and name HN ))
3.495 1.527 1.527 peak 538 weight 1.00000E+00 volume 1.48860E+05 ppm1 8.506 ppm2 2.908
OR { 538}
(( segid " A" and resid 5 and name HN ))
(( segid " A" and resid 8 and name HB1 ))
ASSI { 539}
(( segid " A" and resid 5 and name HA ))
(( segid " A" and resid 6 and name HN ))
3.523 1.551 1.551 peak 539 weight 1.00000E+00 volume 1.42003E+05 ppm1 8.167 ppm2 4.469
ASSI { 540}
(( segid " A" and resid 8 and name HB2 ))
(( segid " A" and resid 8 and name HD21))
3.155 1.244 1.244 peak 540 weight 1.00000E+00 volume 2.75169E+05 ppm1 8.029 ppm2 3.208
ASSI { 542}
(( segid " A" and resid 8 and name HD21))
(( segid " A" and resid 8 and name HD22))
1.999 0.500 0.500 peak 542 weight 1.00000E+00 volume 4.24809E+06 ppm1 8.026 ppm2 7.260
ASSI { 544}
(( segid " A" and resid 8 and name HA ))
(( segid " A" and resid 8 and name HD21))
3.528 1.556 1.556 peak 544 weight 1.00000E+00 volume 3.50302E+04 ppm1 8.029 ppm2 5.303
ASSI { 545}
(( segid " A" and resid 11 and name HB1 ))
(( segid " A" and resid 8 and name HD21))
4.704 2.766 2.766 peak 545 weight 1.00000E+00 volume 2.21870E+04 ppm1 8.029 ppm2 3.310
ASSI { 546}
(( segid " A" and resid 18 and name HN ))
(( segid " A" and resid 16 and name HA ))
3.656 1.670 1.670 peak 546 weight 1.00000E+00 volume 1.13683E+05 ppm1 7.632 ppm2 4.533
OR { 546}
(( segid " A" and resid 15 and name HN ))
(( segid " A" and resid 16 and name HA ))
ASSI { 547}
(( segid " A" and resid 18 and name HN ))
(( segid " A" and resid 17 and name HA ))
3.004 1.128 1.128 peak 547 weight 1.00000E+00 volume 6.63363E+04 ppm1 7.631 ppm2 4.683
ASSI { 549}
(( segid " A" and resid 15 and name HD21))
(( segid " A" and resid 15 and name HD22))
2.036 0.518 0.518 peak 549 weight 1.00000E+00 volume 3.80738E+06 ppm1 7.830 ppm2 7.393
ASSI { 550}
(( segid " A" and resid 15 and name HB1 ))
(( segid " A" and resid 15 and name HD21))
2.582 0.833 0.833 peak 550 weight 1.00000E+00 volume 9.15577E+05 ppm1 7.830 ppm2 2.692
ASSI { 551}
(( segid " A" and resid 15 and name HB2 ))
(( segid " A" and resid 15 and name HD21))
3.177 1.262 1.262 peak 551 weight 1.00000E+00 volume 2.63911E+05 ppm1 7.829 ppm2 2.773
ASSI { 552}
(( segid " A" and resid 7 and name HN ))
(( segid " A" and resid 8 and name HB1 ))
3.079 1.185 1.185 peak 552 weight 1.00000E+00 volume 3.18572E+05 ppm1 7.852 ppm2 2.887
ASSI { 554}
(( segid " A" and resid 14 and name HD21))
(( segid " A" and resid 14 and name HD22))
1.927 0.464 0.464 peak 554 weight 1.00000E+00 volume 1.34273E+06 ppm1 7.697 ppm2 7.081
ASSI { 555}
(( segid " A" and resid 18 and name HN ))
(( segid " A" and resid 15 and name HD21))
3.041 1.156 1.156 peak 555 weight 1.00000E+00 volume 3.42852E+05 ppm1 7.829 ppm2 7.635
ASSI { 557}
(( segid " A" and resid 9 and name HB1 ))
(( segid " A" and resid 10 and name HN ))
3.612 1.631 1.631 peak 557 weight 1.00000E+00 volume 1.22150E+05 ppm1 7.492 ppm2 2.399
ASSI { 558}
(( segid " A" and resid 2 and name HD2 ))
(( segid " A" and resid 2 and name HB2 ))
2.793 0.975 0.975 peak 558 weight 1.00000E+00 volume 5.70868E+05 ppm1 3.190 ppm2 1.796
ASSI { 559}
(( segid " A" and resid 2 and name HD2 ))
(( segid " A" and resid 2 and name HB1 ))
2.650 0.878 0.878 peak 559 weight 1.00000E+00 volume 7.83713E+05 ppm1 3.191 ppm2 1.629
ASSI { 560}
(( segid " A" and resid 2 and name HN ))
( segid " A" and resid 1 and name HG2#)
3.346 1.400 1.400 peak 560 weight 1.00000E+00 volume 1.93288E+05 ppm1 8.789 ppm2 0.995
OR { 560}
( segid " A" and resid 18 and name HG1#)
(( segid " A" and resid 17 and name HN ))
ASSI { 561}
( segid " A" and resid 13 and name HG2#)
(( segid " A" and resid 10 and name HA ))
2.996 1.122 1.122 peak 561 weight 1.00000E+00 volume 3.75251E+05 ppm1 3.746 ppm2 1.065
ASSI { 562}
(( segid " A" and resid 12 and name HA ))
( segid " A" and resid 13 and name HG1#)
3.062 1.172 1.172 peak 562 weight 1.00000E+00 volume 3.29168E+05 ppm1 3.947 ppm2 0.979
ASSI { 563}
(( segid " A" and resid 15 and name HD21))
(( segid " A" and resid 15 and name HD22))
2.048 0.524 0.524 peak 563 weight 1.00000E+00 volume 1.06494E+06 ppm1 7.388 ppm2 7.833
ASSI { 564}
(( segid " A" and resid 8 and name HD21))
(( segid " A" and resid 8 and name HD22))
1.967 0.483 0.483 peak 564 weight 1.00000E+00 volume 4.68890E+06 ppm1 7.266 ppm2 8.028
ASSI { 565}
(( segid " A" and resid 14 and name HD21))
(( segid " A" and resid 14 and name HD22))
1.915 0.458 0.458 peak 565 weight 1.00000E+00 volume 5.50438E+06 ppm1 7.079 ppm2 7.699
ASSI { 566}
(( segid " A" and resid 14 and name HB2 ))
(( segid " A" and resid 14 and name HD22))
3.480 1.514 1.514 peak 566 weight 1.00000E+00 volume 4.42357E+04 ppm1 7.080 ppm2 2.901
ASSI { 567}
(( segid " A" and resid 14 and name HB1 ))
(( segid " A" and resid 14 and name HD22))
3.222 1.298 1.298 peak 567 weight 1.00000E+00 volume 2.42503E+05 ppm1 7.077 ppm2 2.775
ASSI { 568}
(( segid " A" and resid 14 and name HB1 ))
(( segid " A" and resid 13 and name HN ))
3.256 1.325 1.325 peak 568 weight 1.00000E+00 volume 5.02957E+04 ppm1 7.392 ppm2 2.777
OR { 568}
(( segid " A" and resid 13 and name HN ))
(( segid " A" and resid 15 and name HB2 ))
OR { 568}
(( segid " A" and resid 15 and name HB2 ))
(( segid " A" and resid 15 and name HD22))
ASSI { 569}
(( segid " A" and resid 15 and name HB1 ))
(( segid " A" and resid 15 and name HD22))
3.018 1.139 1.139 peak 569 weight 1.00000E+00 volume 6.53851E+04 ppm1 7.391 ppm2 2.691
ASSI { 570}
(( segid " A" and resid 8 and name HB1 ))
(( segid " A" and resid 12 and name HN ))
3.649 1.664 1.664 peak 570 weight 1.00000E+00 volume 1.14893E+05 ppm1 8.532 ppm2 2.878
ASSI { 571}
(( segid " A" and resid 8 and name HB1 ))
(( segid " A" and resid 12 and name HE ))
3.489 1.521 1.521 peak 571 weight 1.00000E+00 volume 1.50461E+05 ppm1 7.390 ppm2 2.898
OR { 571}
(( segid " A" and resid 14 and name HB2 ))
(( segid " A" and resid 13 and name HN ))
OR { 571}
(( segid " A" and resid 8 and name HB1 ))
(( segid " A" and resid 13 and name HN ))
OR { 571}
(( segid " A" and resid 6 and name HB1 ))
(( segid " A" and resid 12 and name HE ))
ASSI { 572}
(( segid " A" and resid 5 and name HB1 ))
(( segid " A" and resid 11 and name HA ))
3.288 1.351 1.351 peak 572 weight 1.00000E+00 volume 2.14773E+05 ppm1 4.205 ppm2 2.777
ASSI { 573}
(( segid " A" and resid 8 and name HB1 ))
(( segid " A" and resid 11 and name HA ))
3.469 1.504 1.504 peak 573 weight 1.00000E+00 volume 1.55678E+05 ppm1 4.202 ppm2 2.898
OR { 573}
(( segid " A" and resid 14 and name HB2 ))
(( segid " A" and resid 11 and name HA ))
OR { 573}
(( segid " A" and resid 3 and name HB2 ))
(( segid " A" and resid 4 and name HA ))
OR { 573}
(( segid " A" and resid 4 and name HA ))
(( segid " A" and resid 6 and name HB1 ))
ASSI { 574}
(( segid " A" and resid 8 and name HA ))
(( segid " A" and resid 9 and name HD1 ))
2.508 0.786 0.786 peak 574 weight 1.00000E+00 volume 2.07311E+05 ppm1 5.302 ppm2 3.958
ASSI { 575}
(( segid " A" and resid 8 and name HA ))
(( segid " A" and resid 9 and name HD2 ))
2.378 0.707 0.707 peak 575 weight 1.00000E+00 volume 1.49854E+06 ppm1 4.042 ppm2 5.303
ASSI { 576}
(( segid " A" and resid 8 and name HA ))
(( segid " A" and resid 9 and name HD1 ))
2.404 0.722 0.722 peak 576 weight 1.00000E+00 volume 1.40574E+06 ppm1 3.957 ppm2 5.304
ASSI { 577}
(( segid " A" and resid 15 and name HA ))
(( segid " A" and resid 16 and name HD1 ))
2.545 0.809 0.809 peak 577 weight 1.00000E+00 volume 2.32174E+05 ppm1 3.797 ppm2 5.150
ASSI { 578}
(( segid " A" and resid 15 and name HA ))
(( segid " A" and resid 16 and name HD22))
2.748 0.944 0.944 peak 578 weight 1.00000E+00 volume 1.55598E+05 ppm1 3.516 ppm2 5.150
ASSI { 579}
(( segid " A" and resid 19 and name HA ))
(( segid " A" and resid 19 and name HB2 ))
2.670 0.891 0.891 peak 579 weight 1.00000E+00 volume 7.15346E+04 ppm1 3.276 ppm2 4.839
ASSI { 580}
(( segid " A" and resid 14 and name HB2 ))
(( segid " A" and resid 15 and name HA ))
3.468 1.503 1.503 peak 580 weight 1.00000E+00 volume 4.47625E+04 ppm1 2.913 ppm2 5.125
ASSI { 581}
(( segid " A" and resid 16 and name HA ))
(( segid " A" and resid 16 and name HB2 ))
2.518 0.793 0.793 peak 581 weight 1.00000E+00 volume 2.39151E+05 ppm1 2.218 ppm2 4.530
ASSI { 582}
(( segid " A" and resid 16 and name HA ))
(( segid " A" and resid 16 and name HB3 ))
2.816 0.991 0.991 peak 582 weight 1.00000E+00 volume 5.44523E+05 ppm1 1.905 ppm2 4.530
ASSI { 583}
(( segid " A" and resid 5 and name HB1 ))
(( segid " A" and resid 12 and name HB2 ))
3.790 1.795 1.795 peak 583 weight 1.00000E+00 volume 1.67751E+04 ppm1 2.757 ppm2 1.721
OR { 583}
(( segid " A" and resid 12 and name HB2 ))
(( segid " A" and resid 19 and name HB1 ))
OR { 583}
(( segid " A" and resid 12 and name HB2 ))
(( segid " A" and resid 15 and name HB2 ))
ASSI { 584}
(( segid " A" and resid 12 and name HB1 ))
(( segid " A" and resid 15 and name HB2 ))
3.898 1.899 1.899 peak 584 weight 1.00000E+00 volume 1.57661E+04 ppm1 2.766 ppm2 1.601
OR { 584}
(( segid " A" and resid 12 and name HB1 ))
(( segid " A" and resid 19 and name HB1 ))
OR { 584}
(( segid " A" and resid 5 and name HB1 ))
(( segid " A" and resid 12 and name HB1 ))
ASSI { 585}
( segid " A" and resid 18 and name HG1#)
(( segid " A" and resid 15 and name HB1 ))
2.819 0.993 0.993 peak 585 weight 1.00000E+00 volume 5.40772E+05 ppm1 2.682 ppm2 0.972
ASSI { 586}
(( segid " A" and resid 8 and name HB1 ))
(( segid " A" and resid 9 and name HA ))
3.557 1.581 1.581 peak 586 weight 1.00000E+00 volume 1.34041E+05 ppm1 4.128 ppm2 2.886
ASSI { 587}
(( segid " A" and resid 11 and name HN ))
( segid " A" and resid 10 and name HG2#)
3.277 1.342 1.342 peak 587 weight 1.00000E+00 volume 7.75139E+04 ppm1 7.662 ppm2 0.882
ASSI { 588}
( segid " A" and resid 10 and name HG2#)
(( segid " A" and resid 14 and name HD21))
3.190 1.272 1.272 peak 588 weight 1.00000E+00 volume 8.38830E+04 ppm1 7.695 ppm2 0.885
ASSI { 589}
( segid " A" and resid 13 and name HG2#)
(( segid " A" and resid 14 and name HN ))
3.536 1.563 1.563 peak 589 weight 1.00000E+00 volume 4.69681E+04 ppm1 7.613 ppm2 1.066
ASSI { 590}
( segid " A" and resid 13 and name HG2#)
(( segid " A" and resid 14 and name HD21))
4.089 2.089 2.089 peak 590 weight 1.00000E+00 volume 5.80791E+04 ppm1 7.696 ppm2 1.063
ASSI { 591}
(( segid " A" and resid 15 and name HA ))
(( segid " A" and resid 15 and name HD21))
3.884 1.886 1.886 peak 591 weight 1.00000E+00 volume 7.89878E+04 ppm1 7.835 ppm2 5.149
ASSI { 593}
(( segid " A" and resid 12 and name HN ))
(( segid " A" and resid 9 and name HA ))
3.037 1.153 1.153 peak 593 weight 1.00000E+00 volume 8.74339E+04 ppm1 4.128 ppm2 8.527
ASSI { 594}
(( segid " A" and resid 17 and name HN ))
(( segid " A" and resid 16 and name HD1 ))
3.852 1.855 1.855 peak 594 weight 1.00000E+00 volume 8.30306E+04 ppm1 3.795 ppm2 8.800
ASSI { 595}
(( segid " A" and resid 17 and name HN ))
(( segid " A" and resid 16 and name HB2 ))
3.571 1.594 1.594 peak 595 weight 1.00000E+00 volume 1.30823E+05 ppm1 2.215 ppm2 8.796
ASSI { 596}
(( segid " A" and resid 2 and name HN ))
(( segid " A" and resid 1 and name HB ))
3.138 1.231 1.231 peak 596 weight 1.00000E+00 volume 5.95765E+04 ppm1 1.970 ppm2 8.795
ASSI { 597}
(( segid " A" and resid 17 and name HN ))
(( segid " A" and resid 16 and name HB3 ))
3.681 1.693 1.693 peak 597 weight 1.00000E+00 volume 2.67613E+04 ppm1 1.912 ppm2 8.798
ASSI { 598}
(( segid " A" and resid 12 and name HN ))
(( segid " A" and resid 12 and name HB1 ))
3.464 1.500 1.500 peak 598 weight 1.00000E+00 volume 1.56891E+05 ppm1 1.596 ppm2 8.525
ASSI { 599}
(( segid " A" and resid 12 and name HN ))
(( segid " A" and resid 12 and name HB2 ))
3.346 1.400 1.400 peak 599 weight 1.00000E+00 volume 1.93237E+05 ppm1 1.727 ppm2 8.528
ASSI { 600}
(( segid " A" and resid 12 and name HN ))
(( segid " A" and resid 12 and name HG1 ))
3.021 1.141 1.141 peak 600 weight 1.00000E+00 volume 7.42352E+04 ppm1 1.851 ppm2 8.527
ASSI { 601}
(( segid " A" and resid 12 and name HN ))
(( segid " A" and resid 12 and name HG2 ))
2.881 1.037 1.037 peak 601 weight 1.00000E+00 volume 4.74744E+05 ppm1 2.017 ppm2 8.527
ASSI { 602}
(( segid " A" and resid 18 and name HB ))
(( segid " A" and resid 19 and name HN ))
3.271 1.338 1.338 peak 602 weight 1.00000E+00 volume 5.08606E+04 ppm1 2.193 ppm2 7.934
ASSI { 603}
(( segid " A" and resid 4 and name HB2 ))
(( segid " A" and resid 5 and name HN ))
3.493 1.525 1.525 peak 603 weight 1.00000E+00 volume 2.64369E+04 ppm1 2.178 ppm2 8.515
ASSI { 605}
(( segid " A" and resid 4 and name HG2 ))
(( segid " A" and resid 5 and name HN ))
4.129 2.131 2.131 peak 605 weight 1.00000E+00 volume 1.57209E+04 ppm1 2.493 ppm2 8.500
ASSI { 606}
(( segid " A" and resid 5 and name HA ))
(( segid " A" and resid 6 and name HN ))
3.370 1.420 1.420 peak 606 weight 1.00000E+00 volume 6.75582E+04 ppm1 4.462 ppm2 8.170
ASSI { 607}
(( segid " A" and resid 4 and name HA ))
(( segid " A" and resid 6 and name HN ))
3.866 1.868 1.868 peak 607 weight 1.00000E+00 volume 2.52895E+04 ppm1 4.228 ppm2 8.170
ASSI { 608}
(( segid " A" and resid 6 and name HN ))
(( segid " A" and resid 19 and name HB1 ))
3.010 1.133 1.133 peak 608 weight 1.00000E+00 volume 3.64761E+05 ppm1 2.760 ppm2 8.169
ASSI { 609}
(( segid " A" and resid 6 and name HB2 ))
(( segid " A" and resid 8 and name HD21))
3.657 1.672 1.672 peak 609 weight 1.00000E+00 volume 1.13449E+05 ppm1 3.296 ppm2 8.031
ASSI { 610}
(( segid " A" and resid 8 and name HB1 ))
(( segid " A" and resid 8 and name HD21))
2.990 1.117 1.117 peak 610 weight 1.00000E+00 volume 3.79913E+05 ppm1 2.886 ppm2 8.028
ASSI { 611}
(( segid " A" and resid 8 and name HB2 ))
(( segid " A" and resid 8 and name HD21))
3.218 1.295 1.295 peak 611 weight 1.00000E+00 volume 2.44185E+05 ppm1 3.209 ppm2 8.028
ASSI { 612}
(( segid " A" and resid 7 and name HA ))
(( segid " A" and resid 8 and name HN ))
3.145 1.236 1.236 peak 612 weight 1.00000E+00 volume 6.36348E+04 ppm1 4.513 ppm2 7.962
ASSI { 613}
(( segid " A" and resid 18 and name HA ))
(( segid " A" and resid 19 and name HN ))
2.793 0.975 0.975 peak 613 weight 1.00000E+00 volume 5.71529E+05 ppm1 4.234 ppm2 7.933
ASSI { 614}
(( segid " A" and resid 6 and name HA ))
(( segid " A" and resid 7 and name HN ))
3.590 1.611 1.611 peak 614 weight 1.00000E+00 volume 3.17881E+04 ppm1 4.357 ppm2 7.850
ASSI { 615}
(( segid " A" and resid 4 and name HA ))
(( segid " A" and resid 7 and name HN ))
3.248 1.318 1.318 peak 615 weight 1.00000E+00 volume 2.31219E+05 ppm1 4.215 ppm2 7.837
OR { 615}
(( segid " A" and resid 18 and name HA ))
(( segid " A" and resid 15 and name HD21))
ASSI { 616}
(( segid " A" and resid 6 and name HB2 ))
(( segid " A" and resid 7 and name HN ))
3.353 1.405 1.405 peak 616 weight 1.00000E+00 volume 2.63336E+04 ppm1 3.278 ppm2 7.860
ASSI { 617}
(( segid " A" and resid 6 and name HB1 ))
(( segid " A" and resid 7 and name HN ))
3.129 1.224 1.224 peak 617 weight 1.00000E+00 volume 2.89089E+05 ppm1 2.887 ppm2 7.849
OR { 617}
(( segid " A" and resid 7 and name HN ))
(( segid " A" and resid 8 and name HB1 ))
ASSI { 618}
(( segid " A" and resid 15 and name HB1 ))
(( segid " A" and resid 15 and name HD21))
2.777 0.964 0.964 peak 618 weight 1.00000E+00 volume 1.28848E+05 ppm1 2.688 ppm2 7.829
ASSI { 619}
(( segid " A" and resid 11 and name HN ))
(( segid " A" and resid 10 and name HB ))
2.873 1.032 1.032 peak 619 weight 1.00000E+00 volume 9.35524E+04 ppm1 2.044 ppm2 7.661
ASSI { 620}
(( segid " A" and resid 15 and name HB2 ))
(( segid " A" and resid 14 and name HD21))
3.027 1.145 1.145 peak 620 weight 1.00000E+00 volume 3.52959E+05 ppm1 2.770 ppm2 7.698
ASSI { 621}
(( segid " A" and resid 15 and name HN ))
(( segid " A" and resid 16 and name HD22))
3.338 1.393 1.393 peak 621 weight 1.00000E+00 volume 4.69923E+04 ppm1 3.516 ppm2 7.634
ASSI { 622}
(( segid " A" and resid 11 and name HN ))
(( segid " A" and resid 10 and name HA ))
3.230 1.304 1.304 peak 622 weight 1.00000E+00 volume 5.12894E+04 ppm1 3.746 ppm2 7.662
ASSI { 623}
(( segid " A" and resid 12 and name HA ))
(( segid " A" and resid 14 and name HN ))
3.155 1.245 1.245 peak 623 weight 1.00000E+00 volume 4.66480E+04 ppm1 3.948 ppm2 7.640
OR { 623}
(( segid " A" and resid 12 and name HA ))
(( segid " A" and resid 15 and name HN ))
ASSI { 624}
(( segid " A" and resid 18 and name HN ))
(( segid " A" and resid 16 and name HA ))
3.494 1.526 1.526 peak 624 weight 1.00000E+00 volume 1.49077E+05 ppm1 4.526 ppm2 7.630
ASSI { 625}
(( segid " A" and resid 18 and name HN ))
(( segid " A" and resid 17 and name HA ))
3.055 1.166 1.166 peak 625 weight 1.00000E+00 volume 3.33848E+05 ppm1 4.688 ppm2 7.629
ASSI { 626}
(( segid " A" and resid 10 and name HN ))
(( segid " A" and resid 9 and name HD1 ))
3.229 1.303 1.303 peak 626 weight 1.00000E+00 volume 7.41624E+04 ppm1 3.956 ppm2 7.490
ASSI { 627}
(( segid " A" and resid 10 and name HN ))
(( segid " A" and resid 9 and name HD2 ))
3.635 1.652 1.652 peak 627 weight 1.00000E+00 volume 1.17618E+05 ppm1 4.040 ppm2 7.490
ASSI { 628}
(( segid " A" and resid 9 and name HA ))
(( segid " A" and resid 10 and name HN ))
3.364 1.415 1.415 peak 628 weight 1.00000E+00 volume 1.87192E+05 ppm1 4.129 ppm2 7.490
ASSI { 629}
(( segid " A" and resid 9 and name HA ))
(( segid " A" and resid 13 and name HN ))
3.177 1.261 1.261 peak 629 weight 1.00000E+00 volume 2.64017E+05 ppm1 4.130 ppm2 7.386
ASSI { 630}
(( segid " A" and resid 15 and name HB1 ))
(( segid " A" and resid 15 and name HD22))
3.171 1.257 1.257 peak 630 weight 1.00000E+00 volume 7.97391E+04 ppm1 2.687 ppm2 7.393
ASSI { 631}
(( segid " A" and resid 13 and name HN ))
(( segid " A" and resid 10 and name HA ))
3.362 1.413 1.413 peak 631 weight 1.00000E+00 volume 1.87747E+05 ppm1 3.746 ppm2 7.397
ASSI { 632}
(( segid " A" and resid 8 and name HA ))
(( segid " A" and resid 9 and name HG2 ))
3.768 1.774 1.774 peak 632 weight 1.00000E+00 volume 9.48596E+04 ppm1 2.148 ppm2 5.305
ASSI { 633}
(( segid " A" and resid 8 and name HA ))
(( segid " A" and resid 9 and name HB2 ))
3.769 1.775 1.775 peak 633 weight 1.00000E+00 volume 1.25919E+04 ppm1 2.065 ppm2 5.299
ASSI { 634}
(( segid " A" and resid 18 and name HN ))
(( segid " A" and resid 17 and name HB1 ))
3.563 1.586 1.586 peak 634 weight 1.00000E+00 volume 2.59950E+04 ppm1 7.628 ppm2 3.320
ASSI { 635}
(( segid " A" and resid 18 and name HN ))
(( segid " A" and resid 17 and name HB2 ))
3.517 1.546 1.546 peak 635 weight 1.00000E+00 volume 1.43325E+05 ppm1 7.629 ppm2 3.389
ASSI { 636}
(( segid " A" and resid 6 and name HA ))
(( segid " A" and resid 7 and name HN ))
3.865 1.867 1.867 peak 636 weight 1.00000E+00 volume 8.14317E+04 ppm1 7.849 ppm2 4.368
ASSI { 638}
(( segid " A" and resid 5 and name HB1 ))
(( segid " A" and resid 11 and name HA ))
3.381 1.429 1.429 peak 638 weight 1.00000E+00 volume 4.93812E+04 ppm1 2.769 ppm2 4.210
ASSI { 639}
(( segid " A" and resid 14 and name HB2 ))
(( segid " A" and resid 14 and name HD21))
3.085 1.190 1.190 peak 639 weight 1.00000E+00 volume 9.33154E+04 ppm1 7.696 ppm2 2.901
ASSI { 640}
(( segid " A" and resid 14 and name HB1 ))
(( segid " A" and resid 14 and name HD21))
2.842 1.010 1.010 peak 640 weight 1.00000E+00 volume 1.21267E+05 ppm1 7.695 ppm2 2.776
ASSI { 641}
(( segid " A" and resid 12 and name HA ))
(( segid " A" and resid 15 and name HB1 ))
3.806 1.811 1.811 peak 641 weight 1.00000E+00 volume 8.91891E+04 ppm1 2.684 ppm2 3.949
ASSI { 642}
(( segid " A" and resid 15 and name HB1 ))
(( segid " A" and resid 16 and name HD1 ))
3.865 1.867 1.867 peak 642 weight 1.00000E+00 volume 8.14135E+04 ppm1 2.679 ppm2 3.805
ASSI { 643}
(( segid " A" and resid 10 and name HN ))
(( segid " A" and resid 8 and name HD21))
4.002 2.002 2.002 peak 643 weight 1.00000E+00 volume 6.60509E+04 ppm1 7.491 ppm2 8.027
ASSI { 644}
(( segid " A" and resid 15 and name HB1 ))
(( segid " A" and resid 16 and name HD22))
3.609 1.628 1.628 peak 644 weight 1.00000E+00 volume 1.22700E+05 ppm1 2.684 ppm2 3.520
ASSI { 646}
(( segid " A" and resid 13 and name HN ))
(( segid " A" and resid 14 and name HN ))
2.749 0.945 0.945 peak 646 weight 1.00000E+00 volume 1.25168E+05 ppm1 7.399 ppm2 7.616
OR { 646}
(( segid " A" and resid 18 and name HN ))
(( segid " A" and resid 15 and name HD22))
# Restraints file 2: H-bonds_restrains_design5
assi
(( segid " A" and resid 8 and name HN ))
(( segid " A" and resid 5 and name O ))
2.200 0.470 0.500
assi
(( segid " A" and resid 10 and name HN ))
(( segid " A" and resid 8 and name O ))
2.200 0.470 0.500
assi
(( segid " A" and resid 11 and name HN ))
(( segid " A" and resid 8 and name O ))
2.200 0.470 0.500
assi
(( segid " A" and resid 12 and name HN ))
(( segid " A" and resid 8 and name O ))
2.200 0.470 0.500
assi
(( segid " A" and resid 13 and name HN ))
(( segid " A" and resid 9 and name O ))
2.200 0.470 0.500
assi
(( segid " A" and resid 14 and name HN ))
(( segid " A" and resid 10 and name O ))
2.200 0.470 0.500
assi
(( segid " A" and resid 15 and name HN ))
(( segid " A" and resid 11 and name O ))
2.200 0.470 0.500
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