NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
591009 |
2mxa   |
19971 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | ambi |
ASSI { 10}
(( segid " A" and resid 2 and name HA ))
( segid " A" and resid 2 and name HB# )
2.070 0.535 0.535 peak 10 weight 1.00000E+00 volume 7.05844E+06 ppm1 4.305 ppm2 1.533
ASSI { 621}
( segid " A" and resid 2 and name HB# )
(( segid " A" and resid 3 and name HN ))
2.534 0.803 0.803 peak 621 weight 1.00000E+00 volume 2.18452E+07 ppm1 9.671 ppm2 1.501
ASSI { 1203}
(( segid " A" and resid 2 and name HA ))
(( segid " A" and resid 6 and name HB2 ))
5.126 3.284 3.284 peak 1203 weight 1.00000E+00 volume -3.08765E+04 ppm1 4.301 ppm2 2.879
ASSI { 3402}
( segid " A" and resid 2 and name HB# )
(( segid " A" and resid 6 and name HB2 ))
2.142 0.574 0.574 peak 3402 weight 1.00000E+00 volume 5.79400E+06 ppm1 1.533 ppm2 2.691
ASSI { 3665}
(( segid " A" and resid 2 and name HA ))
(( segid " A" and resid 6 and name HB1 ))
5.125 3.284 3.284 peak 3665 weight 1.00000E+00 volume -3.08800E+04 ppm1 4.301 ppm2 2.879
ASSI { 25}
( segid " A" and resid 2 and name HB# )
( segid " A" and resid 7 and name HD1#)
2.032 0.516 0.516 peak 25 weight 1.00000E+00 volume 7.95007E+06 ppm1 1.534 ppm2 0.680
ASSI { 3398}
( segid " A" and resid 2 and name HB# )
(( segid " A" and resid 7 and name HN ))
2.510 0.788 0.788 peak 3398 weight 1.00000E+00 volume 2.23800E+06 ppm1 1.533 ppm2 8.064
ASSI { 19}
( segid " A" and resid 2 and name HB# )
(( segid " A" and resid 7 and name HA ))
2.631 0.865 0.865 peak 19 weight 1.00000E+00 volume 1.68798E+06 ppm1 1.534 ppm2 3.585
ASSI { 24}
( segid " A" and resid 2 and name HB# )
(( segid " A" and resid 7 and name HG12))
2.281 0.650 0.650 peak 24 weight 1.00000E+00 volume 3.97428E+06 ppm1 1.534 ppm2 1.034
ASSI { 27}
(( segid " A" and resid 3 and name HA ))
( segid " A" and resid 3 and name HG2#)
2.173 0.590 0.590 peak 27 weight 1.00000E+00 volume 5.31599E+06 ppm1 4.416 ppm2 1.300
ASSI { 1159}
(( segid " A" and resid 3 and name HN ))
( segid " A" and resid 3 and name HG2#)
3.291 1.354 1.354 peak 1159 weight 1.00000E+00 volume 2.09828E+07 ppm1 9.672 ppm2 1.279
ASSI { 4182}
( segid " A" and resid 3 and name HG2#)
( segid " A" and resid 4 and name HD1#)
1.965 0.483 0.483 peak 4182 weight 1.00000E+00 volume 9.72192E+06 ppm1 0.847 ppm2 1.292
ASSI { 447}
(( segid " A" and resid 3 and name HA ))
(( segid " A" and resid 4 and name HN ))
2.579 0.831 0.831 peak 447 weight 1.00000E+00 volume 9.06124E+07 ppm1 9.160 ppm2 4.394
ASSI { 1188}
( segid " A" and resid 3 and name HG2#)
(( segid " A" and resid 4 and name HN ))
2.411 0.726 0.726 peak 1188 weight 1.00000E+00 volume 1.35703E+08 ppm1 9.160 ppm2 1.285
ASSI { 85}
( segid " A" and resid 3 and name HG2#)
( segid " A" and resid 5 and name HG1#)
2.057 0.529 0.529 peak 85 weight 1.00000E+00 volume 7.39630E+06 ppm1 0.789 ppm2 1.291
ASSI { 894}
(( segid " A" and resid 3 and name HN ))
(( segid " A" and resid 6 and name HN ))
3.210 1.288 1.288 peak 894 weight 1.00000E+00 volume 2.43568E+07 ppm1 7.137 ppm2 9.652
ASSI { 1195}
( segid " A" and resid 3 and name HG2#)
(( segid " A" and resid 6 and name HN ))
2.695 0.908 0.908 peak 1195 weight 1.00000E+00 volume 6.95770E+07 ppm1 7.140 ppm2 1.292
ASSI { 1406}
( segid " A" and resid 3 and name HG2#)
(( segid " A" and resid 31 and name HE22))
3.199 1.279 1.279 peak 1406 weight 1.00000E+00 volume 2.48489E+07 ppm1 6.756 ppm2 1.291
ASSI { 1939}
( segid " A" and resid 4 and name HD1#)
(( segid " A" and resid 4 and name HN ))
2.503 0.783 0.783 peak 1939 weight 1.00000E+00 volume 2.27717E+06 ppm1 0.844 ppm2 9.152
ASSI { 4184}
( segid " A" and resid 4 and name HD1#)
(( segid " A" and resid 4 and name HB ))
1.978 0.489 0.489 peak 4184 weight 1.00000E+00 volume 9.35162E+06 ppm1 0.845 ppm2 1.849
ASSI { 4196}
(( segid " A" and resid 4 and name HB ))
( segid " A" and resid 4 and name HG2#)
2.308 0.666 0.666 peak 4196 weight 1.00000E+00 volume 3.70094E+06 ppm1 1.850 ppm2 0.714
ASSI { 432}
(( segid " A" and resid 4 and name HN ))
(( segid " A" and resid 5 and name HN ))
3.204 1.283 1.283 peak 432 weight 1.00000E+00 volume 2.46206E+07 ppm1 9.159 ppm2 6.630
ASSI { 71}
( segid " A" and resid 5 and name HG1#)
(( segid " A" and resid 3 and name HB ))
2.653 0.880 0.880 peak 71 weight 1.00000E+00 volume 1.60515E+06 ppm1 0.789 ppm2 4.621
ASSI { 36}
(( segid " A" and resid 5 and name HA ))
(( segid " A" and resid 5 and name HB ))
2.600 0.845 0.845 peak 36 weight 1.00000E+00 volume 1.81286E+06 ppm1 3.294 ppm2 1.686
ASSI { 37}
(( segid " A" and resid 5 and name HA ))
( segid " A" and resid 5 and name HG2#)
2.083 0.542 0.542 peak 37 weight 1.00000E+00 volume 6.85466E+06 ppm1 3.294 ppm2 0.808
ASSI { 41}
(( segid " A" and resid 5 and name HB ))
( segid " A" and resid 5 and name HG# )
1.924 0.463 0.463 peak 41 weight 1.00000E+00 volume 1.10502E+07 ppm1 1.711 ppm2 0.803
ASSI { 3416}
(( segid " A" and resid 5 and name HB ))
( segid " A" and resid 5 and name HG1#)
1.870 0.437 0.437 peak 3416 weight 1.00000E+00 volume 1.30900E+07 ppm1 0.787 ppm2 1.714
ASSI { 622}
(( segid " A" and resid 5 and name HB ))
(( segid " A" and resid 5 and name HN ))
2.861 1.024 1.024 peak 622 weight 1.00000E+00 volume 4.85249E+07 ppm1 6.621 ppm2 1.682
ASSI { 987}
( segid " A" and resid 5 and name HG1#)
(( segid " A" and resid 5 and name HN ))
2.663 0.887 0.887 peak 987 weight 1.00000E+00 volume 7.46802E+07 ppm1 6.623 ppm2 0.774
ASSI { 984}
( segid " A" and resid 5 and name HG1#)
(( segid " A" and resid 6 and name HN ))
2.166 0.586 0.586 peak 984 weight 1.00000E+00 volume 1.78764E+08 ppm1 7.139 ppm2 0.771
ASSI { 3406}
( segid " A" and resid 5 and name HG2#)
(( segid " A" and resid 6 and name HN ))
2.478 0.768 0.768 peak 3406 weight 1.00000E+00 volume 2.41700E+06 ppm1 0.831 ppm2 7.152
ASSI { 3413}
( segid " A" and resid 5 and name HG1#)
(( segid " A" and resid 6 and name HA ))
2.501 0.782 0.782 peak 3413 weight 1.00000E+00 volume 2.29000E+06 ppm1 0.789 ppm2 4.179
ASSI { 3414}
( segid " A" and resid 5 and name HG1#)
(( segid " A" and resid 6 and name HB1 ))
2.714 0.920 0.920 peak 3414 weight 1.00000E+00 volume 1.40200E+06 ppm1 0.790 ppm2 2.754
ASSI { 1288}
(( segid " A" and resid 5 and name HA ))
(( segid " A" and resid 6 and name HN ))
2.741 0.939 0.939 peak 1288 weight 1.00000E+00 volume 6.27941E+07 ppm1 7.139 ppm2 3.249
ASSI { 3404}
(( segid " A" and resid 5 and name HA ))
( segid " A" and resid 8 and name HB# )
2.491 0.776 0.776 peak 3404 weight 1.00000E+00 volume 2.34200E+06 ppm1 3.292 ppm2 1.155
ASSI { 1298}
(( segid " A" and resid 5 and name HA ))
(( segid " A" and resid 8 and name HN ))
2.913 1.061 1.061 peak 1298 weight 1.00000E+00 volume 4.35602E+07 ppm1 7.830 ppm2 3.249
ASSI { 53}
( segid " A" and resid 5 and name HG2#)
(( segid " A" and resid 27 and name HA ))
2.270 0.644 0.644 peak 53 weight 1.00000E+00 volume 4.09057E+06 ppm1 0.833 ppm2 3.064
ASSI { 44}
( segid " A" and resid 5 and name HG2#)
( segid " A" and resid 30 and name HD1#)
1.916 0.459 0.459 peak 44 weight 1.00000E+00 volume 5.95007E+06 ppm1 0.832 ppm2 0.547
ASSI { 3571}
(( segid " A" and resid 5 and name HB ))
( segid " A" and resid 30 and name HD1#)
2.641 0.872 0.872 peak 3571 weight 1.00000E+00 volume 1.64800E+06 ppm1 0.538 ppm2 1.712
ASSI { 2405}
( segid " A" and resid 5 and name HG2#)
(( segid " A" and resid 30 and name HN ))
2.750 0.945 0.945 peak 2405 weight 1.00000E+00 volume 6.15600E+07 ppm1 7.441 ppm2 0.809
ASSI { 48}
( segid " A" and resid 5 and name HG2#)
(( segid " A" and resid 31 and name HN ))
2.712 0.919 0.919 peak 48 weight 1.00000E+00 volume 1.40738E+06 ppm1 0.833 ppm2 7.599
ASSI { 2408}
( segid " A" and resid 5 and name HG1#)
(( segid " A" and resid 31 and name HN ))
2.238 0.626 0.626 peak 2408 weight 1.00000E+00 volume 1.09900E+08 ppm1 7.570 ppm2 0.796
ASSI { 1412}
( segid " A" and resid 5 and name HG1#)
(( segid " A" and resid 31 and name HE22))
2.249 0.632 0.632 peak 1412 weight 1.00000E+00 volume 2.05974E+08 ppm1 6.761 ppm2 0.772
ASSI { 748}
( segid " A" and resid 5 and name HG1#)
( segid " A" and resid 31 and name HB# )
2.540 0.807 0.807 peak 748 weight 1.00000E+00 volume 2.08324E+06 ppm1 2.124 ppm2 0.817
ASSI { 3415}
( segid " A" and resid 5 and name HG1#)
(( segid " A" and resid 31 and name HG2 ))
2.226 0.619 0.619 peak 3415 weight 1.00000E+00 volume 4.60300E+06 ppm1 0.792 ppm2 2.530
ASSI { 3577}
( segid " A" and resid 5 and name HG2#)
(( segid " A" and resid 31 and name HG2 ))
2.132 0.568 0.568 peak 3577 weight 1.00000E+00 volume 5.95900E+06 ppm1 2.526 ppm2 0.812
ASSI { 1409}
( segid " A" and resid 5 and name HG1#)
(( segid " A" and resid 31 and name HE21))
2.154 0.580 0.580 peak 1409 weight 1.00000E+00 volume 2.66450E+08 ppm1 7.185 ppm2 0.774
ASSI { 2854}
(( segid " A" and resid 5 and name HB ))
(( segid " A" and resid 31 and name HE21))
2.768 0.958 0.958 peak 2854 weight 1.00000E+00 volume 5.92216E+07 ppm1 7.185 ppm2 1.684
ASSI { 2420}
( segid " A" and resid 5 and name HG1#)
(( segid " A" and resid 32 and name HN ))
3.235 1.308 1.308 peak 2420 weight 1.00000E+00 volume 2.32600E+07 ppm1 7.635 ppm2 0.791
ASSI { 1192}
(( segid " A" and resid 6 and name HN ))
(( segid " A" and resid 3 and name HB ))
2.955 1.092 1.092 peak 1192 weight 1.00000E+00 volume 3.99962E+07 ppm1 7.140 ppm2 4.629
ASSI { 895}
(( segid " A" and resid 6 and name HN ))
(( segid " A" and resid 4 and name HN ))
3.378 1.426 1.426 peak 895 weight 1.00000E+00 volume 1.79337E+07 ppm1 7.142 ppm2 9.153
ASSI { 425}
(( segid " A" and resid 6 and name HN ))
(( segid " A" and resid 5 and name HN ))
2.427 0.737 0.737 peak 425 weight 1.00000E+00 volume 3.14545E+07 ppm1 6.623 ppm2 7.139
ASSI { 93}
(( segid " A" and resid 6 and name HA ))
(( segid " A" and resid 6 and name HB1 ))
2.291 0.656 0.656 peak 93 weight 1.00000E+00 volume 3.86751E+06 ppm1 4.207 ppm2 2.688
ASSI { 92}
(( segid " A" and resid 6 and name HA ))
(( segid " A" and resid 6 and name HB2 ))
2.668 0.890 0.890 peak 92 weight 1.00000E+00 volume 1.55215E+06 ppm1 4.207 ppm2 2.910
ASSI { 625}
(( segid " A" and resid 6 and name HN ))
(( segid " A" and resid 6 and name HB1 ))
2.448 0.749 0.749 peak 625 weight 1.00000E+00 volume 1.23926E+08 ppm1 7.139 ppm2 2.690
ASSI { 101}
(( segid " A" and resid 6 and name HB2 ))
(( segid " A" and resid 6 and name HB1 ))
1.932 0.466 0.466 peak 101 weight 1.00000E+00 volume 1.07768E+07 ppm1 2.699 ppm2 2.874
ASSI { 624}
(( segid " A" and resid 6 and name HN ))
(( segid " A" and resid 6 and name HA ))
2.355 0.693 0.693 peak 624 weight 1.00000E+00 volume 1.56263E+08 ppm1 7.138 ppm2 4.190
ASSI { 1025}
(( segid " A" and resid 6 and name HN ))
(( segid " A" and resid 6 and name HB2 ))
2.367 0.700 0.700 peak 1025 weight 1.00000E+00 volume 1.51386E+08 ppm1 7.139 ppm2 2.879
ASSI { 30}
(( segid " A" and resid 6 and name HN ))
(( segid " A" and resid 7 and name HN ))
2.458 0.755 0.755 peak 30 weight 1.00000E+00 volume 8.31868E+07 ppm1 8.080 ppm2 7.140
ASSI { 451}
(( segid " A" and resid 6 and name HB1 ))
(( segid " A" and resid 7 and name HN ))
2.630 0.865 0.865 peak 451 weight 1.00000E+00 volume 6.92488E+07 ppm1 8.080 ppm2 2.688
ASSI { 1026}
(( segid " A" and resid 6 and name HB2 ))
(( segid " A" and resid 7 and name HN ))
2.719 0.924 0.924 peak 1026 weight 1.00000E+00 volume 6.58583E+07 ppm1 8.079 ppm2 2.879
ASSI { 896}
(( segid " A" and resid 6 and name HN ))
(( segid " A" and resid 8 and name HN ))
3.134 1.228 1.228 peak 896 weight 1.00000E+00 volume 2.80931E+07 ppm1 7.139 ppm2 7.806
ASSI { 1290}
(( segid " A" and resid 6 and name HN ))
( segid " A" and resid 8 and name HB# )
3.328 1.385 1.385 peak 1290 weight 1.00000E+00 volume 1.95929E+07 ppm1 7.139 ppm2 1.117
ASSI { 3481}
(( segid " A" and resid 6 and name HA ))
(( segid " A" and resid 9 and name HB ))
3.082 1.187 1.187 peak 3481 weight 1.00000E+00 volume 6.53000E+05 ppm1 2.074 ppm2 4.205
OR { 3481}
(( segid " A" and resid 23 and name HB ))
(( segid " A" and resid 24 and name HA ))
ASSI { 2338}
(( segid " A" and resid 6 and name HA ))
(( segid " A" and resid 9 and name HN ))
3.383 1.431 1.431 peak 2338 weight 1.00000E+00 volume 1.77700E+07 ppm1 8.366 ppm2 4.186
ASSI { 1284}
( segid " A" and resid 7 and name HD1#)
(( segid " A" and resid 5 and name HN ))
3.180 1.264 1.264 peak 1284 weight 1.00000E+00 volume 2.57649E+07 ppm1 6.626 ppm2 0.693
ASSI { 3422}
(( segid " A" and resid 7 and name HG11))
(( segid " A" and resid 6 and name HB2 ))
2.255 0.636 0.636 peak 3422 weight 1.00000E+00 volume 3.51600E+06 ppm1 2.699 ppm2 1.546
ASSI { 121}
(( segid " A" and resid 7 and name HA ))
(( segid " A" and resid 7 and name HG11))
2.239 0.627 0.627 peak 121 weight 1.00000E+00 volume 4.43913E+06 ppm1 3.602 ppm2 1.555
ASSI { 123}
(( segid " A" and resid 7 and name HA ))
( segid " A" and resid 7 and name HG2#)
2.179 0.593 0.593 peak 123 weight 1.00000E+00 volume 5.23304E+06 ppm1 3.603 ppm2 0.637
ASSI { 130}
( segid " A" and resid 7 and name HD1#)
(( segid " A" and resid 7 and name HB ))
1.971 0.485 0.485 peak 130 weight 1.00000E+00 volume 9.56001E+06 ppm1 1.617 ppm2 0.674
ASSI { 139}
(( segid " A" and resid 7 and name HG12))
( segid " A" and resid 7 and name HD1#)
2.109 0.556 0.556 peak 139 weight 1.00000E+00 volume 6.37089E+06 ppm1 0.689 ppm2 1.027
ASSI { 140}
(( segid " A" and resid 7 and name HG11))
( segid " A" and resid 7 and name HD1#)
1.909 0.456 0.456 peak 140 weight 1.00000E+00 volume 1.15542E+07 ppm1 0.691 ppm2 1.548
ASSI { 985}
( segid " A" and resid 7 and name HD1#)
(( segid " A" and resid 7 and name HN ))
2.346 0.688 0.688 peak 985 weight 1.00000E+00 volume 1.59830E+08 ppm1 8.080 ppm2 0.689
ASSI { 122}
(( segid " A" and resid 7 and name HA ))
(( segid " A" and resid 7 and name HG12))
2.375 0.705 0.705 peak 122 weight 1.00000E+00 volume 3.12254E+06 ppm1 3.603 ppm2 1.042
ASSI { 151}
(( segid " A" and resid 7 and name HG12))
(( segid " A" and resid 7 and name HG11))
2.083 0.542 0.542 peak 151 weight 1.00000E+00 volume 6.85363E+06 ppm1 1.032 ppm2 1.557
ASSI { 164}
(( segid " A" and resid 7 and name HG12))
( segid " A" and resid 7 and name HG2#)
2.228 0.620 0.620 peak 164 weight 1.00000E+00 volume 4.58234E+06 ppm1 0.620 ppm2 1.025
ASSI { 166}
( segid " A" and resid 7 and name HG2#)
(( segid " A" and resid 7 and name HB ))
2.074 0.538 0.538 peak 166 weight 1.00000E+00 volume 7.03557E+06 ppm1 0.622 ppm2 1.586
ASSI { 3427}
(( segid " A" and resid 7 and name HG12))
(( segid " A" and resid 7 and name HB ))
2.618 0.857 0.857 peak 3427 weight 1.00000E+00 volume 1.73700E+06 ppm1 1.620 ppm2 1.075
ASSI { 626}
(( segid " A" and resid 7 and name HA ))
(( segid " A" and resid 7 and name HN ))
2.514 0.790 0.790 peak 626 weight 1.00000E+00 volume 1.05559E+08 ppm1 8.078 ppm2 3.588
ASSI { 1125}
(( segid " A" and resid 7 and name HG12))
(( segid " A" and resid 7 and name HN ))
2.469 0.762 0.762 peak 1125 weight 1.00000E+00 volume 1.17610E+08 ppm1 8.081 ppm2 1.021
ASSI { 1165}
(( segid " A" and resid 7 and name HN ))
(( segid " A" and resid 7 and name HB ))
2.193 0.601 0.601 peak 1165 weight 1.00000E+00 volume 2.39671E+08 ppm1 8.080 ppm2 1.604
ASSI { 1166}
(( segid " A" and resid 7 and name HG11))
(( segid " A" and resid 7 and name HN ))
2.126 0.565 0.565 peak 1166 weight 1.00000E+00 volume 2.88523E+08 ppm1 8.076 ppm2 1.546
ASSI { 3431}
( segid " A" and resid 7 and name HG2#)
(( segid " A" and resid 8 and name HA ))
2.966 1.100 1.100 peak 3431 weight 1.00000E+00 volume 8.22200E+05 ppm1 0.620 ppm2 3.766
ASSI { 29}
(( segid " A" and resid 7 and name HN ))
(( segid " A" and resid 8 and name HN ))
2.531 0.801 0.801 peak 29 weight 1.00000E+00 volume 1.01384E+08 ppm1 8.079 ppm2 7.822
ASSI { 453}
(( segid " A" and resid 7 and name HA ))
(( segid " A" and resid 8 and name HN ))
2.874 1.032 1.032 peak 453 weight 1.00000E+00 volume 4.73126E+07 ppm1 7.828 ppm2 3.595
ASSI { 1198}
(( segid " A" and resid 7 and name HB ))
(( segid " A" and resid 8 and name HN ))
2.479 0.768 0.768 peak 1198 weight 1.00000E+00 volume 1.14799E+08 ppm1 7.829 ppm2 1.593
ASSI { 232}
(( segid " A" and resid 7 and name HN ))
(( segid " A" and resid 9 and name HN ))
3.327 1.383 1.383 peak 232 weight 1.00000E+00 volume 1.96504E+07 ppm1 8.080 ppm2 8.351
ASSI { 2332}
(( segid " A" and resid 7 and name HA ))
(( segid " A" and resid 9 and name HN ))
3.065 1.174 1.174 peak 2332 weight 1.00000E+00 volume 3.21400E+07 ppm1 8.366 ppm2 3.617
ASSI { 120}
(( segid " A" and resid 7 and name HA ))
(( segid " A" and resid 10 and name HB2 ))
2.592 0.840 0.840 peak 120 weight 1.00000E+00 volume 1.84362E+06 ppm1 3.603 ppm2 2.925
ASSI { 2267}
(( segid " A" and resid 7 and name HG12))
(( segid " A" and resid 10 and name HD22))
3.176 1.261 1.261 peak 2267 weight 1.00000E+00 volume 2.59437E+07 ppm1 7.013 ppm2 0.993
ASSI { 1206}
(( segid " A" and resid 7 and name HA ))
(( segid " A" and resid 10 and name HN ))
2.826 0.998 0.998 peak 1206 weight 1.00000E+00 volume 5.23422E+07 ppm1 7.628 ppm2 3.609
ASSI { 2341}
(( segid " A" and resid 7 and name HG12))
(( segid " A" and resid 10 and name HD21))
3.171 1.257 1.257 peak 2341 weight 1.00000E+00 volume 2.62200E+07 ppm1 7.774 ppm2 0.995
ASSI { 1234}
(( segid " A" and resid 7 and name HA ))
(( segid " A" and resid 10 and name HD21))
3.236 1.309 1.309 peak 1234 weight 1.00000E+00 volume 2.32068E+07 ppm1 7.776 ppm2 3.595
ASSI { 2368}
(( segid " A" and resid 7 and name HN ))
(( segid " A" and resid 10 and name HN ))
3.434 1.474 1.474 peak 2368 weight 1.00000E+00 volume 1.62400E+07 ppm1 8.077 ppm2 7.651
ASSI { 209}
( segid " A" and resid 7 and name HG2#)
( segid " A" and resid 11 and name HG2#)
2.503 0.783 0.783 peak 209 weight 1.00000E+00 volume 1.39694E+06 ppm1 1.337 ppm2 0.636
ASSI { 3432}
( segid " A" and resid 7 and name HG2#)
(( segid " A" and resid 11 and name HA ))
2.580 0.832 0.832 peak 3432 weight 1.00000E+00 volume 1.90000E+06 ppm1 0.624 ppm2 4.770
ASSI { 2336}
(( segid " A" and resid 7 and name HA ))
(( segid " A" and resid 11 and name HN ))
3.002 1.126 1.126 peak 2336 weight 1.00000E+00 volume 3.64200E+07 ppm1 7.498 ppm2 3.610
ASSI { 2337}
( segid " A" and resid 7 and name HG2#)
(( segid " A" and resid 11 and name HN ))
3.051 1.164 1.164 peak 2337 weight 1.00000E+00 volume 3.30200E+07 ppm1 7.498 ppm2 0.604
ASSI { 174}
(( segid " A" and resid 8 and name HA ))
( segid " A" and resid 8 and name HB# )
2.066 0.534 0.534 peak 174 weight 1.00000E+00 volume 7.19438E+06 ppm1 3.774 ppm2 1.155
ASSI { 1027}
(( segid " A" and resid 8 and name HA ))
(( segid " A" and resid 8 and name HN ))
2.425 0.735 0.735 peak 1027 weight 1.00000E+00 volume 6.60013E+07 ppm1 7.829 ppm2 3.768
ASSI { 1028}
( segid " A" and resid 8 and name HB# )
(( segid " A" and resid 8 and name HN ))
2.277 0.648 0.648 peak 1028 weight 1.00000E+00 volume 1.90896E+08 ppm1 7.829 ppm2 1.121
ASSI { 55}
(( segid " A" and resid 8 and name HN ))
(( segid " A" and resid 9 and name HN ))
2.819 0.994 0.994 peak 55 weight 1.00000E+00 volume 5.30346E+07 ppm1 7.830 ppm2 8.354
ASSI { 2331}
( segid " A" and resid 8 and name HB# )
(( segid " A" and resid 9 and name HN ))
3.017 1.138 1.138 peak 2331 weight 1.00000E+00 volume 3.53300E+07 ppm1 8.362 ppm2 1.127
ASSI { 50}
(( segid " A" and resid 8 and name HN ))
(( segid " A" and resid 10 and name HN ))
3.105 1.205 1.205 peak 50 weight 1.00000E+00 volume 2.97042E+07 ppm1 7.631 ppm2 7.839
ASSI { 3441}
(( segid " A" and resid 8 and name HA ))
( segid " A" and resid 11 and name HG2#)
2.305 0.664 0.664 peak 3441 weight 1.00000E+00 volume 3.73000E+06 ppm1 1.337 ppm2 3.803
ASSI { 2335}
(( segid " A" and resid 8 and name HA ))
(( segid " A" and resid 11 and name HN ))
2.888 1.043 1.043 peak 2335 weight 1.00000E+00 volume 4.59200E+07 ppm1 7.500 ppm2 3.780
ASSI { 173}
(( segid " A" and resid 8 and name HA ))
( segid " A" and resid 18 and name HG2#)
2.454 0.752 0.752 peak 173 weight 1.00000E+00 volume 2.56615E+06 ppm1 3.774 ppm2 0.947
ASSI { 4249}
(( segid " A" and resid 9 and name HB ))
( segid " A" and resid 9 and name HG1#)
2.108 0.555 0.555 peak 4249 weight 1.00000E+00 volume 6.38745E+06 ppm1 1.015 ppm2 2.095
ASSI { 4251}
( segid " A" and resid 9 and name HG1#)
(( segid " A" and resid 9 and name HA ))
1.922 0.462 0.462 peak 4251 weight 1.00000E+00 volume 1.11127E+07 ppm1 1.016 ppm2 3.671
ASSI { 2909}
(( segid " A" and resid 9 and name HB ))
(( segid " A" and resid 9 and name HN ))
2.699 0.910 0.910 peak 2909 weight 1.00000E+00 volume 6.89702E+07 ppm1 8.364 ppm2 2.077
ASSI { 2911}
(( segid " A" and resid 9 and name HN ))
( segid " A" and resid 9 and name HG2#)
2.184 0.596 0.596 peak 2911 weight 1.00000E+00 volume 4.73037E+07 ppm1 8.367 ppm2 0.857
ASSI { 49}
(( segid " A" and resid 9 and name HN ))
(( segid " A" and resid 10 and name HN ))
2.831 1.002 1.002 peak 49 weight 1.00000E+00 volume 5.17926E+07 ppm1 7.625 ppm2 8.364
ASSI { 3434}
(( segid " A" and resid 10 and name HB2 ))
( segid " A" and resid 7 and name HG2#)
2.679 0.897 0.897 peak 3434 weight 1.00000E+00 volume 1.51500E+06 ppm1 2.927 ppm2 0.584
ASSI { 182}
(( segid " A" and resid 10 and name HB2 ))
(( segid " A" and resid 10 and name HB1 ))
1.712 0.366 0.366 peak 182 weight 1.00000E+00 volume 1.46285E+07 ppm1 2.932 ppm2 2.709
ASSI { 189}
(( segid " A" and resid 10 and name HB2 ))
(( segid " A" and resid 10 and name HA ))
2.215 0.614 0.614 peak 189 weight 1.00000E+00 volume 4.73443E+06 ppm1 2.932 ppm2 4.732
ASSI { 1224}
(( segid " A" and resid 10 and name HB2 ))
(( segid " A" and resid 10 and name HD21))
2.658 0.883 0.883 peak 1224 weight 1.00000E+00 volume 7.55544E+07 ppm1 7.773 ppm2 2.901
ASSI { 627}
(( segid " A" and resid 10 and name HB1 ))
(( segid " A" and resid 10 and name HN ))
2.470 0.762 0.762 peak 627 weight 1.00000E+00 volume 1.17388E+08 ppm1 7.627 ppm2 2.685
ASSI { 628}
(( segid " A" and resid 10 and name HB2 ))
(( segid " A" and resid 10 and name HN ))
2.659 0.884 0.884 peak 628 weight 1.00000E+00 volume 7.54352E+07 ppm1 7.626 ppm2 2.903
ASSI { 629}
(( segid " A" and resid 10 and name HA ))
(( segid " A" and resid 10 and name HN ))
2.548 0.812 0.812 peak 629 weight 1.00000E+00 volume 9.73490E+07 ppm1 7.631 ppm2 4.710
ASSI { 1222}
(( segid " A" and resid 10 and name HB1 ))
(( segid " A" and resid 10 and name HD22))
2.628 0.863 0.863 peak 1222 weight 1.00000E+00 volume 8.09033E+07 ppm1 7.014 ppm2 2.693
ASSI { 1223}
(( segid " A" and resid 10 and name HB2 ))
(( segid " A" and resid 10 and name HD22))
2.719 0.924 0.924 peak 1223 weight 1.00000E+00 volume 5.49270E+07 ppm1 7.013 ppm2 2.904
ASSI { 1225}
(( segid " A" and resid 10 and name HB1 ))
(( segid " A" and resid 10 and name HD21))
2.477 0.767 0.767 peak 1225 weight 1.00000E+00 volume 1.15433E+08 ppm1 7.772 ppm2 2.692
ASSI { 616}
(( segid " A" and resid 10 and name HB2 ))
(( segid " A" and resid 11 and name HN ))
3.008 1.131 1.131 peak 616 weight 1.00000E+00 volume 3.59639E+07 ppm1 7.498 ppm2 2.901
ASSI { 617}
(( segid " A" and resid 10 and name HB1 ))
(( segid " A" and resid 11 and name HN ))
2.925 1.070 1.070 peak 617 weight 1.00000E+00 volume 4.25165E+07 ppm1 7.498 ppm2 2.698
ASSI { 2294}
(( segid " A" and resid 11 and name HN ))
(( segid " A" and resid 9 and name HN ))
3.215 1.292 1.292 peak 2294 weight 1.00000E+00 volume 2.41300E+07 ppm1 7.497 ppm2 8.366
ASSI { 51}
(( segid " A" and resid 11 and name HN ))
(( segid " A" and resid 10 and name HN ))
2.388 0.713 0.713 peak 51 weight 1.00000E+00 volume 9.50322E+07 ppm1 7.631 ppm2 7.519
ASSI { 207}
(( segid " A" and resid 11 and name HB ))
( segid " A" and resid 11 and name HG2#)
2.097 0.550 0.550 peak 207 weight 1.00000E+00 volume 6.14397E+06 ppm1 4.134 ppm2 1.294
ASSI { 215}
( segid " A" and resid 11 and name HG2#)
(( segid " A" and resid 11 and name HA ))
2.111 0.557 0.557 peak 215 weight 1.00000E+00 volume 6.32468E+06 ppm1 1.335 ppm2 4.743
ASSI { 3442}
( segid " A" and resid 11 and name HG2#)
(( segid " A" and resid 11 and name HG1 ))
2.806 0.984 0.984 peak 3442 weight 1.00000E+00 volume 1.14600E+06 ppm1 1.338 ppm2 5.931
ASSI { 1031}
( segid " A" and resid 11 and name HG2#)
(( segid " A" and resid 11 and name HN ))
2.628 0.863 0.863 peak 1031 weight 1.00000E+00 volume 6.82132E+07 ppm1 7.499 ppm2 1.306
ASSI { 1029}
(( segid " A" and resid 11 and name HA ))
(( segid " A" and resid 11 and name HN ))
2.462 0.757 0.757 peak 1029 weight 1.00000E+00 volume 1.19758E+08 ppm1 7.500 ppm2 4.737
ASSI { 2334}
(( segid " A" and resid 11 and name HN ))
(( segid " A" and resid 11 and name HG1 ))
2.846 1.013 1.013 peak 2334 weight 1.00000E+00 volume 5.01100E+07 ppm1 7.499 ppm2 5.974
ASSI { 256}
(( segid " A" and resid 11 and name HA ))
(( segid " A" and resid 12 and name HD2 ))
2.312 0.668 0.668 peak 256 weight 1.00000E+00 volume 3.66771E+06 ppm1 4.058 ppm2 4.739
ASSI { 3445}
( segid " A" and resid 11 and name HG2#)
(( segid " A" and resid 12 and name HD2 ))
2.583 0.834 0.834 peak 3445 weight 1.00000E+00 volume 1.88300E+06 ppm1 4.058 ppm2 1.324
ASSI { 3446}
( segid " A" and resid 11 and name HG2#)
(( segid " A" and resid 12 and name HD1 ))
2.520 0.794 0.794 peak 3446 weight 1.00000E+00 volume 2.18700E+06 ppm1 3.807 ppm2 1.343
ASSI { 3440}
( segid " A" and resid 11 and name HG2#)
(( segid " A" and resid 14 and name HB2 ))
2.818 0.992 0.992 peak 3440 weight 1.00000E+00 volume 1.11900E+06 ppm1 1.335 ppm2 3.539
ASSI { 1240}
( segid " A" and resid 11 and name HG2#)
(( segid " A" and resid 14 and name HN ))
3.278 1.344 1.344 peak 1240 weight 1.00000E+00 volume 2.14544E+07 ppm1 7.545 ppm2 1.304
OR { 1240}
( segid " A" and resid 24 and name HB# )
(( segid " A" and resid 63 and name HN ))
ASSI { 2370}
(( segid " A" and resid 11 and name HA ))
(( segid " A" and resid 14 and name HN ))
3.245 1.316 1.316 peak 2370 weight 1.00000E+00 volume 2.28100E+07 ppm1 7.552 ppm2 4.788
ASSI { 2346}
( segid " A" and resid 11 and name HG2#)
(( segid " A" and resid 14 and name HN ))
3.279 1.344 1.344 peak 2346 weight 1.00000E+00 volume 2.14500E+07 ppm1 7.545 ppm2 1.304
ASSI { 227}
(( segid " A" and resid 12 and name HB1 ))
(( segid " A" and resid 12 and name HB2 ))
1.821 0.414 0.414 peak 227 weight 1.00000E+00 volume 1.53598E+07 ppm1 2.381 ppm2 1.898
ASSI { 221}
(( segid " A" and resid 12 and name HA ))
(( segid " A" and resid 12 and name HB1 ))
2.178 0.593 0.593 peak 221 weight 1.00000E+00 volume 3.53700E+06 ppm1 4.368 ppm2 2.397
ASSI { 238}
(( segid " A" and resid 12 and name HB2 ))
(( segid " A" and resid 12 and name HD2 ))
2.312 0.668 0.668 peak 238 weight 1.00000E+00 volume 3.66709E+06 ppm1 1.906 ppm2 4.057
ASSI { 243}
(( segid " A" and resid 12 and name HD2 ))
(( segid " A" and resid 12 and name HD1 ))
1.990 0.495 0.495 peak 243 weight 1.00000E+00 volume 7.41721E+06 ppm1 4.056 ppm2 3.815
ASSI { 253}
(( segid " A" and resid 12 and name HB1 ))
(( segid " A" and resid 12 and name HD2 ))
2.791 0.974 0.974 peak 253 weight 1.00000E+00 volume 1.18387E+06 ppm1 4.060 ppm2 2.370
ASSI { 261}
(( segid " A" and resid 12 and name HG1 ))
(( segid " A" and resid 12 and name HG2 ))
1.615 0.326 0.326 peak 261 weight 1.00000E+00 volume 3.15631E+07 ppm1 2.133 ppm2 2.011
ASSI { 264}
(( segid " A" and resid 12 and name HB1 ))
(( segid " A" and resid 12 and name HG2 ))
2.174 0.591 0.591 peak 264 weight 1.00000E+00 volume 5.29585E+06 ppm1 2.012 ppm2 2.353
ASSI { 252}
(( segid " A" and resid 12 and name HD1 ))
(( segid " A" and resid 12 and name HG1 ))
2.199 0.604 0.604 peak 252 weight 1.00000E+00 volume 3.52306E+06 ppm1 3.812 ppm2 2.161
ASSI { 266}
(( segid " A" and resid 12 and name HD1 ))
(( segid " A" and resid 12 and name HG2 ))
2.075 0.538 0.538 peak 266 weight 1.00000E+00 volume 7.01071E+06 ppm1 2.012 ppm2 3.811
ASSI { 251}
(( segid " A" and resid 12 and name HD2 ))
(( segid " A" and resid 12 and name HG1 ))
2.337 0.683 0.683 peak 251 weight 1.00000E+00 volume 1.61658E+06 ppm1 4.060 ppm2 2.164
ASSI { 269}
(( segid " A" and resid 12 and name HA ))
(( segid " A" and resid 12 and name HG1 ))
2.588 0.837 0.837 peak 269 weight 1.00000E+00 volume 1.86425E+06 ppm1 2.139 ppm2 4.343
ASSI { 268}
(( segid " A" and resid 12 and name HD2 ))
(( segid " A" and resid 12 and name HG2 ))
2.331 0.679 0.679 peak 268 weight 1.00000E+00 volume 3.04606E+06 ppm1 2.005 ppm2 4.033
ASSI { 263}
(( segid " A" and resid 12 and name HB1 ))
(( segid " A" and resid 12 and name HG1 ))
1.978 0.489 0.489 peak 263 weight 1.00000E+00 volume 6.21820E+06 ppm1 2.136 ppm2 2.351
ASSI { 454}
(( segid " A" and resid 12 and name HA ))
(( segid " A" and resid 13 and name HN ))
2.349 0.690 0.690 peak 454 weight 1.00000E+00 volume 2.25150E+07 ppm1 8.820 ppm2 4.315
ASSI { 2371}
(( segid " A" and resid 12 and name HA ))
(( segid " A" and resid 14 and name HN ))
3.266 1.333 1.333 peak 2371 weight 1.00000E+00 volume 2.19500E+07 ppm1 7.547 ppm2 4.325
ASSI { 275}
(( segid " A" and resid 13 and name HA2 ))
(( segid " A" and resid 13 and name HA1 ))
1.831 0.419 0.419 peak 275 weight 1.00000E+00 volume 5.17051E+06 ppm1 4.079 ppm2 3.688
ASSI { 631}
(( segid " A" and resid 13 and name HA2 ))
(( segid " A" and resid 13 and name HN ))
2.925 1.069 1.069 peak 631 weight 1.00000E+00 volume 1.95693E+07 ppm1 8.817 ppm2 4.053
ASSI { 630}
(( segid " A" and resid 13 and name HA1 ))
(( segid " A" and resid 13 and name HN ))
1.970 0.485 0.485 peak 630 weight 1.00000E+00 volume 1.50391E+07 ppm1 8.811 ppm2 3.708
ASSI { 356}
(( segid " A" and resid 13 and name HN ))
(( segid " A" and resid 14 and name HN ))
3.233 1.306 1.306 peak 356 weight 1.00000E+00 volume 2.33309E+07 ppm1 7.545 ppm2 8.814
ASSI { 633}
(( segid " A" and resid 13 and name HA1 ))
(( segid " A" and resid 14 and name HN ))
2.882 1.038 1.038 peak 633 weight 1.00000E+00 volume 4.65331E+07 ppm1 7.546 ppm2 3.706
ASSI { 293}
(( segid " A" and resid 14 and name HB2 ))
(( segid " A" and resid 14 and name HA ))
2.645 0.874 0.874 peak 293 weight 1.00000E+00 volume 1.63675E+06 ppm1 3.557 ppm2 5.691
ASSI { 1238}
(( segid " A" and resid 14 and name HB2 ))
(( segid " A" and resid 14 and name HN ))
2.775 0.962 0.962 peak 1238 weight 1.00000E+00 volume 5.83828E+07 ppm1 7.549 ppm2 3.545
ASSI { 2305}
(( segid " A" and resid 14 and name HA ))
(( segid " A" and resid 14 and name HN ))
2.886 1.041 1.041 peak 2305 weight 1.00000E+00 volume 4.60600E+07 ppm1 7.546 ppm2 5.701
ASSI { 1611}
(( segid " A" and resid 14 and name HB1 ))
(( segid " A" and resid 14 and name HN ))
2.491 0.776 0.776 peak 1611 weight 1.00000E+00 volume 1.11394E+08 ppm1 7.554 ppm2 3.717
ASSI { 1168}
(( segid " A" and resid 14 and name HA ))
(( segid " A" and resid 15 and name HN ))
2.701 0.912 0.912 peak 1168 weight 1.00000E+00 volume 6.86339E+07 ppm1 8.462 ppm2 5.685
ASSI { 1242}
(( segid " A" and resid 14 and name HB2 ))
(( segid " A" and resid 15 and name HN ))
2.728 0.930 0.930 peak 1242 weight 1.00000E+00 volume 6.46726E+07 ppm1 8.460 ppm2 3.572
ASSI { 1243}
(( segid " A" and resid 14 and name HB1 ))
(( segid " A" and resid 15 and name HN ))
3.018 1.138 1.138 peak 1243 weight 1.00000E+00 volume 3.52578E+07 ppm1 8.462 ppm2 3.705
ASSI { 1310}
(( segid " A" and resid 14 and name HB2 ))
(( segid " A" and resid 18 and name HN ))
2.796 0.977 0.977 peak 1310 weight 1.00000E+00 volume 5.57628E+07 ppm1 8.391 ppm2 3.572
ASSI { 299}
(( segid " A" and resid 15 and name HB1 ))
(( segid " A" and resid 15 and name HB2 ))
1.774 0.393 0.393 peak 299 weight 1.00000E+00 volume 1.79609E+07 ppm1 3.934 ppm2 4.087
ASSI { 636}
(( segid " A" and resid 15 and name HB1 ))
(( segid " A" and resid 15 and name HN ))
2.089 0.545 0.545 peak 636 weight 1.00000E+00 volume 3.20894E+08 ppm1 8.462 ppm2 4.059
ASSI { 1169}
(( segid " A" and resid 15 and name HN ))
(( segid " A" and resid 15 and name HA ))
2.608 0.850 0.850 peak 1169 weight 1.00000E+00 volume 8.47466E+07 ppm1 8.461 ppm2 4.796
ASSI { 606}
(( segid " A" and resid 15 and name HB2 ))
(( segid " A" and resid 16 and name HN ))
2.979 1.109 1.109 peak 606 weight 1.00000E+00 volume 3.81061E+07 ppm1 10.561 ppm2 3.917
ASSI { 607}
(( segid " A" and resid 15 and name HB1 ))
(( segid " A" and resid 16 and name HN ))
2.749 0.945 0.945 peak 607 weight 1.00000E+00 volume 6.16785E+07 ppm1 10.561 ppm2 4.058
ASSI { 1338}
(( segid " A" and resid 15 and name HB1 ))
(( segid " A" and resid 18 and name HN ))
3.086 1.190 1.190 peak 1338 weight 1.00000E+00 volume 3.08473E+07 ppm1 8.380 ppm2 4.056
OR { 1338}
(( segid " A" and resid 22 and name HA ))
(( segid " A" and resid 26 and name HN ))
OR { 1338}
(( segid " A" and resid 68 and name HA ))
(( segid " A" and resid 69 and name HN ))
ASSI { 2353}
(( segid " A" and resid 15 and name HB1 ))
(( segid " A" and resid 18 and name HN ))
2.742 0.940 0.940 peak 2353 weight 1.00000E+00 volume 6.27100E+07 ppm1 8.388 ppm2 4.053
ASSI { 1170}
(( segid " A" and resid 16 and name HN ))
(( segid " A" and resid 15 and name HA ))
2.723 0.927 0.927 peak 1170 weight 1.00000E+00 volume 6.53794E+07 ppm1 10.561 ppm2 4.798
ASSI { 1249}
( segid " A" and resid 16 and name HG2#)
(( segid " A" and resid 16 and name HN ))
2.940 1.081 1.081 peak 1249 weight 1.00000E+00 volume 4.12420E+07 ppm1 10.563 ppm2 0.156
ASSI { 2350}
(( segid " A" and resid 16 and name HN ))
(( segid " A" and resid 16 and name HB ))
2.361 0.697 0.697 peak 2350 weight 1.00000E+00 volume 1.53800E+08 ppm1 10.562 ppm2 3.583
ASSI { 2358}
( segid " A" and resid 16 and name HG2#)
(( segid " A" and resid 20 and name HN ))
3.280 1.344 1.344 peak 2358 weight 1.00000E+00 volume 2.14100E+07 ppm1 8.583 ppm2 0.147
ASSI { 180}
( segid " A" and resid 18 and name HG2#)
( segid " A" and resid 8 and name HB# )
2.471 0.763 0.763 peak 180 weight 1.00000E+00 volume 2.45715E+06 ppm1 1.164 ppm2 0.950
ASSI { 205}
( segid " A" and resid 18 and name HG1#)
(( segid " A" and resid 11 and name HB ))
2.472 0.764 0.764 peak 205 weight 1.00000E+00 volume 2.45342E+06 ppm1 4.125 ppm2 0.815
ASSI { 210}
( segid " A" and resid 18 and name HG1#)
( segid " A" and resid 11 and name HG2#)
2.461 0.757 0.757 peak 210 weight 1.00000E+00 volume 2.51894E+06 ppm1 1.340 ppm2 0.834
ASSI { 3456}
( segid " A" and resid 18 and name HG2#)
( segid " A" and resid 11 and name HG2#)
2.672 0.893 0.893 peak 3456 weight 1.00000E+00 volume 1.53800E+06 ppm1 0.943 ppm2 1.357
ASSI { 2344}
( segid " A" and resid 18 and name HG1#)
(( segid " A" and resid 11 and name HN ))
3.269 1.336 1.336 peak 2344 weight 1.00000E+00 volume 2.18100E+07 ppm1 7.503 ppm2 0.863
ASSI { 3452}
( segid " A" and resid 18 and name HG1#)
(( segid " A" and resid 14 and name HB1 ))
2.156 0.581 0.581 peak 3452 weight 1.00000E+00 volume 5.57054E+06 ppm1 0.856 ppm2 3.717
ASSI { 3457}
( segid " A" and resid 18 and name HG2#)
(( segid " A" and resid 14 and name HB1 ))
2.111 0.557 0.557 peak 3457 weight 1.00000E+00 volume 6.32700E+06 ppm1 0.945 ppm2 3.674
ASSI { 4247}
( segid " A" and resid 18 and name HG1#)
(( segid " A" and resid 14 and name HN ))
2.486 0.773 0.773 peak 4247 weight 1.00000E+00 volume 2.36886E+06 ppm1 0.888 ppm2 7.567
ASSI { 3458}
( segid " A" and resid 18 and name HG2#)
(( segid " A" and resid 15 and name HB1 ))
2.613 0.854 0.854 peak 3458 weight 1.00000E+00 volume 1.75700E+06 ppm1 0.945 ppm2 4.087
ASSI { 2349}
( segid " A" and resid 18 and name HG2#)
(( segid " A" and resid 15 and name HN ))
3.123 1.219 1.219 peak 2349 weight 1.00000E+00 volume 2.87000E+07 ppm1 8.460 ppm2 0.903
ASSI { 676}
(( segid " A" and resid 18 and name HN ))
(( segid " A" and resid 16 and name HA ))
2.712 0.919 0.919 peak 676 weight 1.00000E+00 volume 6.70229E+07 ppm1 8.390 ppm2 3.690
ASSI { 1668}
(( segid " A" and resid 18 and name HN ))
(( segid " A" and resid 16 and name HA ))
2.830 1.001 1.001 peak 1668 weight 1.00000E+00 volume 5.18920E+07 ppm1 8.385 ppm2 3.704
OR { 1668}
(( segid " A" and resid 18 and name HN ))
(( segid " A" and resid 19 and name HA ))
ASSI { 303}
(( segid " A" and resid 18 and name HA ))
(( segid " A" and resid 18 and name HB ))
2.455 0.753 0.753 peak 303 weight 1.00000E+00 volume 2.55838E+06 ppm1 3.287 ppm2 2.091
ASSI { 308}
( segid " A" and resid 18 and name HG1#)
(( segid " A" and resid 18 and name HB ))
1.804 0.407 0.407 peak 308 weight 1.00000E+00 volume 1.62631E+07 ppm1 0.858 ppm2 2.115
ASSI { 1032}
( segid " A" and resid 18 and name HG1#)
(( segid " A" and resid 18 and name HN ))
2.288 0.655 0.655 peak 1032 weight 1.00000E+00 volume 1.85553E+08 ppm1 8.389 ppm2 0.852
ASSI { 322}
( segid " A" and resid 18 and name HG2#)
(( segid " A" and resid 18 and name HB ))
2.035 0.517 0.517 peak 322 weight 1.00000E+00 volume 7.89399E+06 ppm1 0.944 ppm2 2.120
ASSI { 324}
( segid " A" and resid 18 and name HG2#)
(( segid " A" and resid 18 and name HA ))
2.098 0.550 0.550 peak 324 weight 1.00000E+00 volume 6.55747E+06 ppm1 0.944 ppm2 3.295
ASSI { 988}
( segid " A" and resid 18 and name HG2#)
(( segid " A" and resid 18 and name HN ))
2.118 0.561 0.561 peak 988 weight 1.00000E+00 volume 2.95421E+08 ppm1 8.389 ppm2 0.924
ASSI { 637}
(( segid " A" and resid 18 and name HA ))
(( segid " A" and resid 18 and name HN ))
2.537 0.804 0.804 peak 637 weight 1.00000E+00 volume 9.99585E+07 ppm1 8.390 ppm2 3.259
ASSI { 79}
(( segid " A" and resid 18 and name HN ))
(( segid " A" and resid 19 and name HN ))
2.561 0.820 0.820 peak 79 weight 1.00000E+00 volume 9.17205E+07 ppm1 8.389 ppm2 7.751
ASSI { 455}
(( segid " A" and resid 18 and name HA ))
(( segid " A" and resid 19 and name HN ))
3.003 1.128 1.128 peak 455 weight 1.00000E+00 volume 3.62969E+07 ppm1 7.748 ppm2 3.262
ASSI { 1033}
( segid " A" and resid 18 and name HG1#)
(( segid " A" and resid 19 and name HN ))
2.435 0.741 0.741 peak 1033 weight 1.00000E+00 volume 1.27731E+08 ppm1 7.748 ppm2 0.845
ASSI { 1034}
( segid " A" and resid 18 and name HG2#)
(( segid " A" and resid 19 and name HN ))
2.694 0.907 0.907 peak 1034 weight 1.00000E+00 volume 6.96857E+07 ppm1 7.747 ppm2 0.925
ASSI { 2359}
(( segid " A" and resid 18 and name HA ))
(( segid " A" and resid 20 and name HN ))
3.228 1.302 1.302 peak 2359 weight 1.00000E+00 volume 2.35500E+07 ppm1 8.580 ppm2 3.268
ASSI { 3451}
(( segid " A" and resid 18 and name HA ))
( segid " A" and resid 21 and name HG1#)
2.017 0.509 0.509 peak 3451 weight 1.00000E+00 volume 8.30200E+06 ppm1 3.291 ppm2 0.905
ASSI { 468}
( segid " A" and resid 18 and name HG1#)
(( segid " A" and resid 22 and name HE1 ))
2.237 0.625 0.625 peak 468 weight 1.00000E+00 volume 4.46996E+06 ppm1 2.859 ppm2 0.860
ASSI { 310}
( segid " A" and resid 18 and name HG1#)
(( segid " A" and resid 22 and name HE2 ))
2.093 0.548 0.548 peak 310 weight 1.00000E+00 volume 3.68437E+06 ppm1 0.852 ppm2 2.793
ASSI { 345}
( segid " A" and resid 19 and name HG2#)
( segid " A" and resid 16 and name HG2#)
3.028 1.146 1.146 peak 345 weight 1.00000E+00 volume 7.25955E+05 ppm1 1.092 ppm2 0.172
ASSI { 332}
(( segid " A" and resid 19 and name HA ))
( segid " A" and resid 19 and name HG2#)
2.006 0.503 0.503 peak 332 weight 1.00000E+00 volume 4.41610E+06 ppm1 3.739 ppm2 1.102
ASSI { 350}
( segid " A" and resid 19 and name HG2#)
(( segid " A" and resid 19 and name HB ))
2.017 0.508 0.508 peak 350 weight 1.00000E+00 volume 8.32285E+06 ppm1 1.090 ppm2 4.252
ASSI { 3462}
(( segid " A" and resid 19 and name HA ))
(( segid " A" and resid 19 and name HB ))
2.409 0.726 0.726 peak 3462 weight 1.00000E+00 volume 2.86200E+06 ppm1 4.254 ppm2 3.727
ASSI { 639}
(( segid " A" and resid 19 and name HB ))
(( segid " A" and resid 19 and name HN ))
2.285 0.652 0.652 peak 639 weight 1.00000E+00 volume 1.87320E+08 ppm1 7.748 ppm2 4.232
ASSI { 640}
(( segid " A" and resid 19 and name HA ))
(( segid " A" and resid 19 and name HN ))
2.425 0.735 0.735 peak 640 weight 1.00000E+00 volume 1.31032E+08 ppm1 7.747 ppm2 3.714
ASSI { 359}
(( segid " A" and resid 19 and name HN ))
(( segid " A" and resid 20 and name HN ))
2.401 0.721 0.721 peak 359 weight 1.00000E+00 volume 1.19236E+08 ppm1 7.748 ppm2 8.573
ASSI { 457}
(( segid " A" and resid 19 and name HB ))
(( segid " A" and resid 20 and name HN ))
2.396 0.718 0.718 peak 457 weight 1.00000E+00 volume 1.40715E+08 ppm1 8.580 ppm2 4.233
ASSI { 678}
(( segid " A" and resid 19 and name HN ))
( segid " A" and resid 20 and name HB# )
3.075 1.182 1.182 peak 678 weight 1.00000E+00 volume 3.14954E+07 ppm1 7.750 ppm2 1.324
ASSI { 1264}
(( segid " A" and resid 19 and name HN ))
(( segid " A" and resid 21 and name HN ))
3.371 1.420 1.420 peak 1264 weight 1.00000E+00 volume 1.81690E+07 ppm1 7.746 ppm2 8.736
ASSI { 3463}
( segid " A" and resid 19 and name HG2#)
( segid " A" and resid 22 and name HD# )
2.630 0.865 0.865 peak 3463 weight 1.00000E+00 volume 1.69000E+06 ppm1 1.089 ppm2 1.590
ASSI { 347}
( segid " A" and resid 19 and name HG2#)
(( segid " A" and resid 23 and name HB ))
2.478 0.768 0.768 peak 347 weight 1.00000E+00 volume 2.41558E+06 ppm1 1.092 ppm2 2.059
ASSI { 3520}
(( segid " A" and resid 19 and name HB ))
( segid " A" and resid 23 and name HG1#)
2.963 1.097 1.097 peak 3520 weight 1.00000E+00 volume 8.28128E+05 ppm1 1.083 ppm2 4.239
ASSI { 358}
(( segid " A" and resid 20 and name HA ))
( segid " A" and resid 20 and name HB# )
1.986 0.493 0.493 peak 358 weight 1.00000E+00 volume 5.21982E+06 ppm1 3.812 ppm2 1.341
ASSI { 642}
(( segid " A" and resid 20 and name HA ))
(( segid " A" and resid 20 and name HN ))
2.447 0.748 0.748 peak 642 weight 1.00000E+00 volume 1.24223E+08 ppm1 8.580 ppm2 3.717
ASSI { 643}
( segid " A" and resid 20 and name HB# )
(( segid " A" and resid 20 and name HN ))
2.074 0.537 0.537 peak 643 weight 1.00000E+00 volume 2.74129E+08 ppm1 8.581 ppm2 1.320
ASSI { 3469}
(( segid " A" and resid 20 and name HA ))
(( segid " A" and resid 21 and name HN ))
2.669 0.891 0.891 peak 3469 weight 1.00000E+00 volume 1.54800E+06 ppm1 3.818 ppm2 8.719
ASSI { 3479}
( segid " A" and resid 20 and name HB# )
(( segid " A" and resid 21 and name HN ))
2.285 0.652 0.652 peak 3479 weight 1.00000E+00 volume 3.93700E+06 ppm1 1.344 ppm2 8.715
ASSI { 153}
(( segid " A" and resid 20 and name HN ))
(( segid " A" and resid 21 and name HN ))
2.520 0.794 0.794 peak 153 weight 1.00000E+00 volume 5.85136E+07 ppm1 8.756 ppm2 8.586
ASSI { 2364}
(( segid " A" and resid 20 and name HA ))
(( segid " A" and resid 23 and name HN ))
2.643 0.873 0.873 peak 2364 weight 1.00000E+00 volume 7.81100E+07 ppm1 8.514 ppm2 3.788
ASSI { 2378}
(( segid " A" and resid 20 and name HA ))
(( segid " A" and resid 24 and name HN ))
3.059 1.170 1.170 peak 2378 weight 1.00000E+00 volume 3.25100E+07 ppm1 8.176 ppm2 3.783
ASSI { 370}
( segid " A" and resid 20 and name HB# )
( segid " A" and resid 64 and name HD1#)
1.767 0.390 0.390 peak 370 weight 1.00000E+00 volume 1.83633E+07 ppm1 1.345 ppm2 0.881
ASSI { 1388}
(( segid " A" and resid 20 and name HA ))
( segid " A" and resid 64 and name HD1#)
2.108 0.555 0.555 peak 1388 weight 1.00000E+00 volume 6.37963E+06 ppm1 0.899 ppm2 3.806
OR { 1388}
(( segid " A" and resid 55 and name HA ))
( segid " A" and resid 58 and name HG1#)
ASSI { 3466}
(( segid " A" and resid 20 and name HA ))
( segid " A" and resid 64 and name HD1#)
2.092 0.547 0.547 peak 3466 weight 1.00000E+00 volume 6.68300E+06 ppm1 3.813 ppm2 0.887
ASSI { 369}
( segid " A" and resid 20 and name HB# )
( segid " A" and resid 68 and name HD1#)
1.935 0.468 0.468 peak 369 weight 1.00000E+00 volume 1.06507E+07 ppm1 1.346 ppm2 0.644
ASSI { 372}
( segid " A" and resid 20 and name HB# )
(( segid " A" and resid 68 and name HG ))
2.399 0.719 0.719 peak 372 weight 1.00000E+00 volume 2.93729E+06 ppm1 1.348 ppm2 1.854
ASSI { 1550}
(( segid " A" and resid 20 and name HA ))
( segid " A" and resid 68 and name HD1#)
2.581 0.833 0.833 peak 1550 weight 1.00000E+00 volume 1.09865E+06 ppm1 0.649 ppm2 3.796
ASSI { 3726}
( segid " A" and resid 20 and name HB# )
( segid " A" and resid 68 and name HD2#)
2.100 0.551 0.551 peak 3726 weight 1.00000E+00 volume 6.53500E+06 ppm1 0.622 ppm2 1.332
ASSI { 391}
(( segid " A" and resid 21 and name HA ))
(( segid " A" and resid 21 and name HB ))
2.556 0.817 0.817 peak 391 weight 1.00000E+00 volume 2.00739E+06 ppm1 3.366 ppm2 2.056
ASSI { 408}
(( segid " A" and resid 21 and name HA ))
( segid " A" and resid 21 and name HG2#)
2.152 0.579 0.579 peak 408 weight 1.00000E+00 volume 5.63798E+06 ppm1 0.711 ppm2 3.342
ASSI { 397}
( segid " A" and resid 21 and name HG2#)
(( segid " A" and resid 21 and name HB ))
1.987 0.493 0.493 peak 397 weight 1.00000E+00 volume 4.91378E+06 ppm1 2.084 ppm2 0.717
ASSI { 421}
( segid " A" and resid 21 and name HG1#)
(( segid " A" and resid 21 and name HN ))
2.223 0.618 0.618 peak 421 weight 1.00000E+00 volume 4.63906E+06 ppm1 0.891 ppm2 8.703
ASSI { 396}
( segid " A" and resid 21 and name HG1#)
(( segid " A" and resid 21 and name HB ))
1.836 0.422 0.422 peak 396 weight 1.00000E+00 volume 1.35669E+07 ppm1 2.082 ppm2 0.899
ASSI { 1036}
(( segid " A" and resid 21 and name HA ))
(( segid " A" and resid 21 and name HN ))
2.746 0.942 0.942 peak 1036 weight 1.00000E+00 volume 6.21972E+07 ppm1 8.757 ppm2 3.345
ASSI { 1037}
(( segid " A" and resid 21 and name HB ))
(( segid " A" and resid 21 and name HN ))
2.524 0.796 0.796 peak 1037 weight 1.00000E+00 volume 1.03128E+08 ppm1 8.758 ppm2 2.058
ASSI { 407}
( segid " A" and resid 21 and name HG2#)
(( segid " A" and resid 22 and name HA ))
2.375 0.705 0.705 peak 407 weight 1.00000E+00 volume 1.40022E+06 ppm1 0.712 ppm2 4.052
ASSI { 3483}
( segid " A" and resid 21 and name HG2#)
(( segid " A" and resid 22 and name HN ))
2.710 0.918 0.918 peak 3483 weight 1.00000E+00 volume 1.41400E+06 ppm1 0.706 ppm2 7.772
ASSI { 1042}
( segid " A" and resid 21 and name HG1#)
(( segid " A" and resid 22 and name HN ))
2.439 0.744 0.744 peak 1042 weight 1.00000E+00 volume 4.21849E+07 ppm1 7.769 ppm2 0.866
ASSI { 154}
(( segid " A" and resid 21 and name HN ))
(( segid " A" and resid 22 and name HN ))
2.773 0.961 0.961 peak 154 weight 1.00000E+00 volume 5.85814E+07 ppm1 8.758 ppm2 7.760
ASSI { 366}
(( segid " A" and resid 21 and name HN ))
(( segid " A" and resid 23 and name HN ))
3.102 1.203 1.203 peak 366 weight 1.00000E+00 volume 2.99182E+07 ppm1 8.511 ppm2 8.733
ASSI { 1043}
( segid " A" and resid 21 and name HG2#)
(( segid " A" and resid 23 and name HN ))
3.316 1.375 1.375 peak 1043 weight 1.00000E+00 volume 2.00265E+07 ppm1 8.515 ppm2 0.695
ASSI { 2365}
(( segid " A" and resid 21 and name HA ))
(( segid " A" and resid 23 and name HN ))
3.297 1.359 1.359 peak 2365 weight 1.00000E+00 volume 2.07500E+07 ppm1 8.513 ppm2 3.349
ASSI { 553}
(( segid " A" and resid 21 and name HA ))
( segid " A" and resid 24 and name HB# )
2.188 0.598 0.598 peak 553 weight 1.00000E+00 volume 2.66228E+06 ppm1 1.284 ppm2 3.355
ASSI { 2377}
(( segid " A" and resid 21 and name HA ))
(( segid " A" and resid 24 and name HN ))
3.040 1.156 1.156 peak 2377 weight 1.00000E+00 volume 3.37200E+07 ppm1 8.176 ppm2 3.348
ASSI { 1061}
( segid " A" and resid 21 and name HG2#)
(( segid " A" and resid 25 and name HN ))
3.220 1.296 1.296 peak 1061 weight 1.00000E+00 volume 2.39061E+07 ppm1 7.893 ppm2 0.736
ASSI { 390}
(( segid " A" and resid 21 and name HA ))
(( segid " A" and resid 26 and name HB2 ))
2.383 0.710 0.710 peak 390 weight 1.00000E+00 volume 3.05918E+06 ppm1 3.370 ppm2 1.647
ASSI { 406}
( segid " A" and resid 21 and name HG2#)
(( segid " A" and resid 26 and name HA ))
2.722 0.926 0.926 peak 406 weight 1.00000E+00 volume 1.37564E+06 ppm1 0.712 ppm2 4.639
ASSI { 3484}
( segid " A" and resid 21 and name HG2#)
(( segid " A" and resid 27 and name HN ))
2.488 0.774 0.774 peak 3484 weight 1.00000E+00 volume 2.35900E+06 ppm1 0.713 ppm2 7.536
ASSI { 2391}
(( segid " A" and resid 21 and name HA ))
(( segid " A" and resid 27 and name HN ))
3.357 1.408 1.408 peak 2391 weight 1.00000E+00 volume 1.86200E+07 ppm1 7.514 ppm2 3.313
ASSI { 413}
( segid " A" and resid 21 and name HG2#)
(( segid " A" and resid 30 and name HG ))
2.272 0.645 0.645 peak 413 weight 1.00000E+00 volume 4.07051E+06 ppm1 0.711 ppm2 1.527
ASSI { 392}
(( segid " A" and resid 21 and name HA ))
(( segid " A" and resid 65 and name HA2 ))
2.858 1.021 1.021 peak 392 weight 1.00000E+00 volume 1.02782E+06 ppm1 3.366 ppm2 3.595
ASSI { 1401}
( segid " A" and resid 21 and name HG2#)
(( segid " A" and resid 65 and name HA2 ))
2.549 0.812 0.812 peak 1401 weight 1.00000E+00 volume 2.03908E+06 ppm1 3.579 ppm2 0.698
ASSI { 471}
(( segid " A" and resid 22 and name HE1 ))
( segid " A" and resid 19 and name HG2#)
2.800 0.980 0.980 peak 471 weight 1.00000E+00 volume 1.16209E+06 ppm1 2.862 ppm2 1.059
ASSI { 3461}
(( segid " A" and resid 22 and name HB2 ))
(( segid " A" and resid 19 and name HA ))
2.327 0.677 0.677 peak 3461 weight 1.00000E+00 volume 3.52600E+06 ppm1 3.743 ppm2 1.925
ASSI { 3496}
(( segid " A" and resid 22 and name HB2 ))
( segid " A" and resid 19 and name HG2#)
2.503 0.783 0.783 peak 3496 weight 1.00000E+00 volume 2.27600E+06 ppm1 1.915 ppm2 1.088
ASSI { 3497}
(( segid " A" and resid 22 and name HB1 ))
( segid " A" and resid 19 and name HG2#)
2.428 0.737 0.737 peak 3497 weight 1.00000E+00 volume 2.73300E+06 ppm1 1.987 ppm2 1.090
ASSI { 3501}
(( segid " A" and resid 22 and name HE2 ))
( segid " A" and resid 19 and name HG2#)
2.411 0.726 0.726 peak 3501 weight 1.00000E+00 volume 2.85300E+06 ppm1 2.775 ppm2 1.061
ASSI { 1268}
(( segid " A" and resid 22 and name HB2 ))
(( segid " A" and resid 20 and name HN ))
3.299 1.360 1.360 peak 1268 weight 1.00000E+00 volume 2.06710E+07 ppm1 8.580 ppm2 1.922
ASSI { 2374}
(( segid " A" and resid 22 and name HB2 ))
(( segid " A" and resid 21 and name HN ))
3.308 1.368 1.368 peak 2374 weight 1.00000E+00 volume 2.03300E+07 ppm1 8.761 ppm2 1.953
ASSI { 435}
(( segid " A" and resid 22 and name HG2 ))
(( segid " A" and resid 22 and name HA ))
2.325 0.676 0.676 peak 435 weight 1.00000E+00 volume 3.54295E+06 ppm1 4.053 ppm2 1.281
ASSI { 645}
(( segid " A" and resid 22 and name HB1 ))
(( segid " A" and resid 22 and name HN ))
2.593 0.841 0.841 peak 645 weight 1.00000E+00 volume 5.27965E+07 ppm1 7.775 ppm2 2.007
ASSI { 448}
(( segid " A" and resid 22 and name HB1 ))
( segid " A" and resid 22 and name HD# )
2.067 0.534 0.534 peak 448 weight 1.00000E+00 volume 7.17363E+06 ppm1 1.987 ppm2 1.625
ASSI { 449}
(( segid " A" and resid 22 and name HB1 ))
(( segid " A" and resid 22 and name HG2 ))
2.493 0.777 0.777 peak 449 weight 1.00000E+00 volume 2.33197E+06 ppm1 1.990 ppm2 1.305
ASSI { 455}
(( segid " A" and resid 22 and name HE2 ))
( segid " A" and resid 22 and name HD# )
1.907 0.454 0.454 peak 455 weight 1.00000E+00 volume 8.30463E+06 ppm1 1.602 ppm2 2.788
ASSI { 472}
(( segid " A" and resid 22 and name HG2 ))
(( segid " A" and resid 22 and name HE1 ))
2.365 0.699 0.699 peak 472 weight 1.00000E+00 volume 3.19718E+06 ppm1 2.859 ppm2 1.290
ASSI { 474}
(( segid " A" and resid 22 and name HE1 ))
( segid " A" and resid 22 and name HD# )
2.004 0.502 0.502 peak 474 weight 1.00000E+00 volume 8.64769E+06 ppm1 2.861 ppm2 1.615
ASSI { 477}
(( segid " A" and resid 22 and name HB1 ))
(( segid " A" and resid 22 and name HE2 ))
2.321 0.674 0.674 peak 477 weight 1.00000E+00 volume 3.57700E+06 ppm1 2.777 ppm2 1.978
ASSI { 488}
(( segid " A" and resid 22 and name HG2 ))
(( segid " A" and resid 22 and name HG1 ))
2.013 0.507 0.507 peak 488 weight 1.00000E+00 volume 8.40702E+06 ppm1 1.600 ppm2 1.289
ASSI { 490}
(( segid " A" and resid 22 and name HG2 ))
( segid " A" and resid 22 and name HD# )
1.844 0.425 0.425 peak 490 weight 1.00000E+00 volume 1.42201E+07 ppm1 1.287 ppm2 1.600
ASSI { 496}
(( segid " A" and resid 22 and name HG1 ))
(( segid " A" and resid 22 and name HE2 ))
2.734 0.934 0.934 peak 496 weight 1.00000E+00 volume 1.34064E+06 ppm1 1.605 ppm2 2.802
ASSI { 473}
(( segid " A" and resid 22 and name HG2 ))
(( segid " A" and resid 22 and name HE2 ))
2.521 0.795 0.795 peak 473 weight 1.00000E+00 volume 2.17965E+06 ppm1 2.774 ppm2 1.291
ASSI { 434}
(( segid " A" and resid 22 and name HG1 ))
(( segid " A" and resid 22 and name HA ))
2.274 0.646 0.646 peak 434 weight 1.00000E+00 volume 4.04969E+06 ppm1 4.052 ppm2 1.589
ASSI { 3504}
(( segid " A" and resid 22 and name HB2 ))
(( segid " A" and resid 22 and name HG1 ))
2.255 0.635 0.635 peak 3504 weight 1.00000E+00 volume 4.26100E+06 ppm1 1.601 ppm2 1.944
ASSI { 233}
(( segid " A" and resid 22 and name HB2 ))
(( segid " A" and resid 22 and name HG2 ))
2.324 0.675 0.675 peak 233 weight 1.00000E+00 volume 3.54911E+06 ppm1 1.915 ppm2 1.307
ASSI { 1273}
(( segid " A" and resid 22 and name HG2 ))
(( segid " A" and resid 22 and name HN ))
2.797 0.978 0.978 peak 1273 weight 1.00000E+00 volume 2.41565E+07 ppm1 7.767 ppm2 1.262
ASSI { 1274}
(( segid " A" and resid 22 and name HG1 ))
(( segid " A" and resid 22 and name HN ))
2.904 1.054 1.054 peak 1274 weight 1.00000E+00 volume 4.28183E+07 ppm1 7.767 ppm2 1.574
ASSI { 1278}
(( segid " A" and resid 22 and name HA ))
(( segid " A" and resid 22 and name HN ))
2.706 0.915 0.915 peak 1278 weight 1.00000E+00 volume 2.54786E+07 ppm1 7.769 ppm2 4.051
ASSI { 3495}
(( segid " A" and resid 22 and name HB1 ))
(( segid " A" and resid 23 and name HN ))
2.566 0.823 0.823 peak 3495 weight 1.00000E+00 volume 1.96300E+06 ppm1 1.987 ppm2 8.515
ASSI { 3521}
(( segid " A" and resid 22 and name HN ))
( segid " A" and resid 23 and name HG1#)
2.722 0.926 0.926 peak 3521 weight 1.00000E+00 volume 1.37501E+06 ppm1 1.086 ppm2 7.768
ASSI { 367}
(( segid " A" and resid 22 and name HN ))
(( segid " A" and resid 23 and name HN ))
2.457 0.754 0.754 peak 367 weight 1.00000E+00 volume 1.21144E+08 ppm1 8.514 ppm2 7.767
ASSI { 462}
(( segid " A" and resid 22 and name HA ))
(( segid " A" and resid 23 and name HN ))
2.729 0.931 0.931 peak 462 weight 1.00000E+00 volume 6.44418E+07 ppm1 8.514 ppm2 4.049
ASSI { 1282}
(( segid " A" and resid 22 and name HB2 ))
(( segid " A" and resid 23 and name HN ))
2.327 0.677 0.677 peak 1282 weight 1.00000E+00 volume 1.67713E+08 ppm1 8.514 ppm2 1.931
ASSI { 2380}
(( segid " A" and resid 22 and name HN ))
(( segid " A" and resid 24 and name HN ))
3.209 1.287 1.287 peak 2380 weight 1.00000E+00 volume 2.44100E+07 ppm1 8.178 ppm2 7.761
ASSI { 2395}
(( segid " A" and resid 22 and name HA ))
(( segid " A" and resid 24 and name HN ))
3.125 1.221 1.221 peak 2395 weight 1.00000E+00 volume 2.86000E+07 ppm1 8.163 ppm2 4.027
ASSI { 493}
(( segid " A" and resid 22 and name HG1 ))
( segid " A" and resid 27 and name HG2#)
1.712 0.366 0.366 peak 493 weight 1.00000E+00 volume 3.95744E+06 ppm1 1.601 ppm2 0.893
ASSI { 642}
(( segid " A" and resid 22 and name HG2 ))
( segid " A" and resid 27 and name HG2#)
1.835 0.421 0.421 peak 642 weight 1.00000E+00 volume 1.46732E+07 ppm1 0.897 ppm2 1.298
ASSI { 3491}
(( segid " A" and resid 22 and name HA ))
(( segid " A" and resid 27 and name HB ))
2.236 0.625 0.625 peak 3491 weight 1.00000E+00 volume 4.47600E+06 ppm1 4.057 ppm2 1.943
ASSI { 631}
(( segid " A" and resid 22 and name HA ))
( segid " A" and resid 27 and name HG2#)
1.986 0.493 0.493 peak 631 weight 1.00000E+00 volume 9.13185E+06 ppm1 0.896 ppm2 4.070
ASSI { 3544}
(( segid " A" and resid 22 and name HN ))
( segid " A" and resid 27 and name HG2#)
2.459 0.756 0.756 peak 3544 weight 1.00000E+00 volume 2.53200E+06 ppm1 0.895 ppm2 7.753
ASSI { 2390}
(( segid " A" and resid 22 and name HA ))
(( segid " A" and resid 27 and name HN ))
2.974 1.105 1.105 peak 2390 weight 1.00000E+00 volume 3.85200E+07 ppm1 7.513 ppm2 4.050
ASSI { 510}
(( segid " A" and resid 23 and name HB ))
( segid " A" and resid 23 and name HG# )
2.055 0.528 0.528 peak 510 weight 1.00000E+00 volume 7.42993E+06 ppm1 2.043 ppm2 1.049
ASSI { 517}
(( segid " A" and resid 23 and name HB ))
( segid " A" and resid 23 and name HG2#)
1.867 0.436 0.436 peak 517 weight 1.00000E+00 volume 1.32328E+07 ppm1 1.008 ppm2 2.047
ASSI { 522}
( segid " A" and resid 23 and name HG2#)
(( segid " A" and resid 23 and name HA ))
1.849 0.427 0.427 peak 522 weight 1.00000E+00 volume 1.40310E+07 ppm1 1.008 ppm2 3.686
ASSI { 533}
(( segid " A" and resid 23 and name HB ))
( segid " A" and resid 23 and name HG1#)
1.926 0.464 0.464 peak 533 weight 1.00000E+00 volume 1.09567E+07 ppm1 1.088 ppm2 2.031
ASSI { 1206}
(( segid " A" and resid 23 and name HB ))
(( segid " A" and resid 23 and name HA ))
2.483 0.771 0.771 peak 1206 weight 1.00000E+00 volume 2.38800E+06 ppm1 3.660 ppm2 2.072
ASSI { 647}
(( segid " A" and resid 23 and name HN ))
(( segid " A" and resid 23 and name HA ))
2.314 0.669 0.669 peak 647 weight 1.00000E+00 volume 1.73693E+08 ppm1 8.514 ppm2 3.653
ASSI { 909}
( segid " A" and resid 23 and name HG1#)
(( segid " A" and resid 23 and name HN ))
2.028 0.514 0.514 peak 909 weight 1.00000E+00 volume 3.18372E+08 ppm1 8.515 ppm2 1.080
ASSI { 1283}
(( segid " A" and resid 23 and name HB ))
(( segid " A" and resid 23 and name HN ))
2.124 0.564 0.564 peak 1283 weight 1.00000E+00 volume 2.89871E+08 ppm1 8.515 ppm2 2.038
ASSI { 3516}
( segid " A" and resid 23 and name HG1#)
( segid " A" and resid 24 and name HB# )
2.124 0.564 0.564 peak 3516 weight 1.00000E+00 volume 6.10100E+06 ppm1 1.089 ppm2 1.268
ASSI { 143}
(( segid " A" and resid 23 and name HN ))
(( segid " A" and resid 24 and name HN ))
2.460 0.757 0.757 peak 143 weight 1.00000E+00 volume 1.20071E+08 ppm1 8.515 ppm2 8.172
ASSI { 463}
(( segid " A" and resid 23 and name HA ))
(( segid " A" and resid 24 and name HN ))
2.709 0.917 0.917 peak 463 weight 1.00000E+00 volume 6.74053E+07 ppm1 8.177 ppm2 3.652
ASSI { 908}
( segid " A" and resid 23 and name HG1#)
(( segid " A" and resid 24 and name HN ))
2.570 0.826 0.826 peak 908 weight 1.00000E+00 volume 9.24084E+07 ppm1 8.176 ppm2 1.076
ASSI { 912}
( segid " A" and resid 23 and name HG2#)
(( segid " A" and resid 25 and name HN ))
3.197 1.278 1.278 peak 912 weight 1.00000E+00 volume 2.49525E+07 ppm1 7.889 ppm2 1.042
ASSI { 1320}
(( segid " A" and resid 23 and name HA ))
(( segid " A" and resid 25 and name HN ))
3.105 1.205 1.205 peak 1320 weight 1.00000E+00 volume 2.97117E+07 ppm1 7.894 ppm2 3.650
ASSI { 547}
(( segid " A" and resid 24 and name HA ))
(( segid " A" and resid 24 and name HN ))
2.408 0.725 0.725 peak 547 weight 1.00000E+00 volume 2.87512E+06 ppm1 4.168 ppm2 8.164
ASSI { 545}
(( segid " A" and resid 24 and name HA ))
( segid " A" and resid 24 and name HB# )
1.772 0.392 0.392 peak 545 weight 1.00000E+00 volume 1.19903E+07 ppm1 4.166 ppm2 1.284
ASSI { 650}
( segid " A" and resid 24 and name HB# )
(( segid " A" and resid 24 and name HN ))
2.109 0.556 0.556 peak 650 weight 1.00000E+00 volume 2.52374E+08 ppm1 8.178 ppm2 1.260
ASSI { 3528}
( segid " A" and resid 24 and name HB# )
(( segid " A" and resid 25 and name HB2 ))
3.228 1.302 1.302 peak 3528 weight 1.00000E+00 volume 4.95000E+05 ppm1 3.234 ppm2 1.294
ASSI { 146}
(( segid " A" and resid 24 and name HN ))
(( segid " A" and resid 25 and name HN ))
2.483 0.770 0.770 peak 146 weight 1.00000E+00 volume 1.03713E+08 ppm1 8.178 ppm2 7.897
ASSI { 465}
(( segid " A" and resid 24 and name HA ))
(( segid " A" and resid 25 and name HN ))
2.721 0.925 0.925 peak 465 weight 1.00000E+00 volume 6.56913E+07 ppm1 7.891 ppm2 4.147
ASSI { 466}
( segid " A" and resid 24 and name HB# )
(( segid " A" and resid 25 and name HN ))
2.517 0.792 0.792 peak 466 weight 1.00000E+00 volume 8.42754E+07 ppm1 7.894 ppm2 1.266
ASSI { 3527}
( segid " A" and resid 24 and name HB# )
(( segid " A" and resid 26 and name HN ))
2.402 0.721 0.721 peak 3527 weight 1.00000E+00 volume 2.91200E+06 ppm1 1.281 ppm2 8.350
ASSI { 3536}
( segid " A" and resid 24 and name HB# )
( segid " A" and resid 26 and name HD1#)
1.886 0.445 0.445 peak 3536 weight 1.00000E+00 volume 1.24400E+07 ppm1 0.800 ppm2 1.287
ASSI { 1319}
(( segid " A" and resid 24 and name HN ))
(( segid " A" and resid 26 and name HN ))
2.897 1.049 1.049 peak 1319 weight 1.00000E+00 volume 4.50467E+07 ppm1 8.179 ppm2 8.349
ASSI { 3523}
(( segid " A" and resid 24 and name HA ))
(( segid " A" and resid 62 and name HA ))
2.771 0.960 0.960 peak 3523 weight 1.00000E+00 volume 1.23600E+06 ppm1 4.166 ppm2 4.375
ASSI { 4117}
( segid " A" and resid 24 and name HB# )
(( segid " A" and resid 62 and name HB2 ))
3.018 1.138 1.138 peak 4117 weight 1.00000E+00 volume 7.41400E+05 ppm1 1.280 ppm2 2.431
ASSI { 3526}
( segid " A" and resid 24 and name HB# )
(( segid " A" and resid 64 and name HB2 ))
2.347 0.689 0.689 peak 3526 weight 1.00000E+00 volume 3.34900E+06 ppm1 1.281 ppm2 1.895
ASSI { 2535}
( segid " A" and resid 24 and name HB# )
(( segid " A" and resid 64 and name HN ))
3.035 1.151 1.151 peak 2535 weight 1.00000E+00 volume 3.40800E+07 ppm1 7.898 ppm2 1.272
ASSI { 2321}
( segid " A" and resid 24 and name HB# )
(( segid " A" and resid 65 and name HN ))
2.639 0.871 0.871 peak 2321 weight 1.00000E+00 volume 7.87900E+07 ppm1 8.989 ppm2 1.261
ASSI { 564}
(( segid " A" and resid 25 and name HB2 ))
(( segid " A" and resid 25 and name HB1 ))
1.739 0.378 0.378 peak 564 weight 1.00000E+00 volume 2.02572E+07 ppm1 3.234 ppm2 2.764
ASSI { 569}
(( segid " A" and resid 25 and name HB2 ))
(( segid " A" and resid 25 and name HA ))
2.175 0.591 0.591 peak 569 weight 1.00000E+00 volume 5.29177E+06 ppm1 3.232 ppm2 4.634
ASSI { 570}
(( segid " A" and resid 25 and name HB1 ))
(( segid " A" and resid 25 and name HA ))
2.179 0.594 0.594 peak 570 weight 1.00000E+00 volume 5.22303E+06 ppm1 2.766 ppm2 4.633
ASSI { 2383}
(( segid " A" and resid 25 and name HB2 ))
(( segid " A" and resid 25 and name HD21))
2.872 1.031 1.031 peak 2383 weight 1.00000E+00 volume 4.74500E+07 ppm1 7.512 ppm2 3.206
ASSI { 2384}
(( segid " A" and resid 25 and name HB1 ))
(( segid " A" and resid 25 and name HD21))
2.656 0.882 0.882 peak 2384 weight 1.00000E+00 volume 5.65600E+07 ppm1 7.514 ppm2 2.756
ASSI { 682}
(( segid " A" and resid 25 and name HN ))
(( segid " A" and resid 25 and name HA ))
2.021 0.510 0.510 peak 682 weight 1.00000E+00 volume 3.91319E+08 ppm1 7.893 ppm2 4.620
ASSI { 1051}
(( segid " A" and resid 25 and name HN ))
(( segid " A" and resid 25 and name HB2 ))
2.606 0.849 0.849 peak 1051 weight 1.00000E+00 volume 6.46396E+07 ppm1 7.892 ppm2 3.206
ASSI { 1325}
(( segid " A" and resid 25 and name HB1 ))
(( segid " A" and resid 25 and name HD22))
2.716 0.922 0.922 peak 1325 weight 1.00000E+00 volume 6.63691E+07 ppm1 6.837 ppm2 2.760
ASSI { 2382}
(( segid " A" and resid 25 and name HD21))
(( segid " A" and resid 25 and name HD22))
1.979 0.490 0.490 peak 2382 weight 1.00000E+00 volume 4.43500E+08 ppm1 7.513 ppm2 6.849
ASSI { 120}
(( segid " A" and resid 25 and name HN ))
(( segid " A" and resid 26 and name HN ))
2.465 0.759 0.759 peak 120 weight 1.00000E+00 volume 5.18513E+07 ppm1 8.380 ppm2 7.893
ASSI { 1671}
(( segid " A" and resid 25 and name HB1 ))
(( segid " A" and resid 26 and name HN ))
3.315 1.374 1.374 peak 1671 weight 1.00000E+00 volume 2.00595E+07 ppm1 8.380 ppm2 2.743
ASSI { 2352}
(( segid " A" and resid 25 and name HA ))
(( segid " A" and resid 26 and name HN ))
2.829 1.000 1.000 peak 2352 weight 1.00000E+00 volume 5.20200E+07 ppm1 8.382 ppm2 4.646
ASSI { 467}
(( segid " A" and resid 25 and name HA ))
(( segid " A" and resid 27 and name HN ))
2.447 0.748 0.748 peak 467 weight 1.00000E+00 volume 1.24104E+08 ppm1 7.513 ppm2 4.629
ASSI { 2389}
(( segid " A" and resid 25 and name HN ))
(( segid " A" and resid 27 and name HN ))
3.067 1.176 1.176 peak 2389 weight 1.00000E+00 volume 3.20100E+07 ppm1 7.513 ppm2 7.880
ASSI { 2393}
(( segid " A" and resid 25 and name HB1 ))
(( segid " A" and resid 27 and name HN ))
3.755 1.763 1.763 peak 2393 weight 1.00000E+00 volume 9.50000E+06 ppm1 7.515 ppm2 2.749
ASSI { 1329}
(( segid " A" and resid 25 and name HD22))
(( segid " A" and resid 28 and name HG2 ))
2.775 0.963 0.963 peak 1329 weight 1.00000E+00 volume 5.82977E+07 ppm1 6.821 ppm2 2.256
OR { 1329}
(( segid " A" and resid 25 and name HD22))
(( segid " A" and resid 92 and name HB1 ))
ASSI { 1335}
(( segid " A" and resid 25 and name HD21))
( segid " A" and resid 28 and name HG# )
2.574 0.828 0.828 peak 1335 weight 1.00000E+00 volume 9.16100E+07 ppm1 7.470 ppm2 2.255
ASSI { 1735}
(( segid " A" and resid 25 and name HN ))
(( segid " A" and resid 62 and name HB2 ))
3.340 1.395 1.395 peak 1735 weight 1.00000E+00 volume 1.91790E+07 ppm1 7.924 ppm2 2.397
OR { 1735}
(( segid " A" and resid 36 and name HB2 ))
(( segid " A" and resid 75 and name HN ))
ASSI { 1330}
(( segid " A" and resid 25 and name HD22))
(( segid " A" and resid 92 and name HB1 ))
2.954 1.091 1.091 peak 1330 weight 1.00000E+00 volume 4.00959E+07 ppm1 6.804 ppm2 2.163
OR { 1330}
(( segid " A" and resid 25 and name HD22))
(( segid " A" and resid 62 and name HG2 ))
ASSI { 2867}
(( segid " A" and resid 25 and name HD22))
(( segid " A" and resid 92 and name HB1 ))
2.593 0.840 0.840 peak 2867 weight 1.00000E+00 volume 8.76653E+07 ppm1 6.841 ppm2 2.603
OR { 2867}
(( segid " A" and resid 60 and name HB1 ))
(( segid " A" and resid 60 and name HD22))
ASSI { 577}
(( segid " A" and resid 26 and name HB2 ))
(( segid " A" and resid 26 and name HB1 ))
2.197 0.604 0.604 peak 577 weight 1.00000E+00 volume 4.41870E+06 ppm1 1.713 ppm2 1.313
ASSI { 579}
(( segid " A" and resid 26 and name HB2 ))
( segid " A" and resid 26 and name HD2#)
2.223 0.618 0.618 peak 579 weight 1.00000E+00 volume 4.63896E+06 ppm1 1.713 ppm2 0.754
ASSI { 580}
(( segid " A" and resid 26 and name HB1 ))
( segid " A" and resid 26 and name HD2#)
2.180 0.594 0.594 peak 580 weight 1.00000E+00 volume 5.22180E+06 ppm1 1.317 ppm2 0.766
ASSI { 583}
(( segid " A" and resid 26 and name HB2 ))
(( segid " A" and resid 26 and name HA ))
2.672 0.892 0.892 peak 583 weight 1.00000E+00 volume 1.53963E+06 ppm1 1.713 ppm2 4.676
ASSI { 591}
( segid " A" and resid 26 and name HD2#)
(( segid " A" and resid 26 and name HG ))
1.836 0.421 0.421 peak 591 weight 1.00000E+00 volume 1.46393E+07 ppm1 0.752 ppm2 1.597
ASSI { 600}
(( segid " A" and resid 26 and name HB1 ))
( segid " A" and resid 26 and name HD2#)
1.886 0.445 0.445 peak 600 weight 1.00000E+00 volume 1.24398E+07 ppm1 0.800 ppm2 1.287
OR { 600}
( segid " A" and resid 82 and name HD2#)
(( segid " A" and resid 82 and name HB2 ))
ASSI { 601}
( segid " A" and resid 26 and name HD1#)
(( segid " A" and resid 26 and name HG ))
1.798 0.404 0.404 peak 601 weight 1.00000E+00 volume 1.33668E+07 ppm1 0.799 ppm2 1.595
ASSI { 606}
(( segid " A" and resid 26 and name HA ))
( segid " A" and resid 26 and name HD1#)
2.458 0.755 0.755 peak 606 weight 1.00000E+00 volume 2.53882E+06 ppm1 0.801 ppm2 4.674
ASSI { 3529}
(( segid " A" and resid 26 and name HB1 ))
(( segid " A" and resid 26 and name HA ))
2.777 0.964 0.964 peak 3529 weight 1.00000E+00 volume 1.22100E+06 ppm1 1.321 ppm2 4.631
ASSI { 653}
(( segid " A" and resid 26 and name HA ))
(( segid " A" and resid 26 and name HN ))
2.609 0.851 0.851 peak 653 weight 1.00000E+00 volume 8.45515E+07 ppm1 8.383 ppm2 4.627
ASSI { 654}
(( segid " A" and resid 26 and name HB1 ))
(( segid " A" and resid 26 and name HN ))
2.692 0.906 0.906 peak 654 weight 1.00000E+00 volume 7.00272E+07 ppm1 8.379 ppm2 1.298
ASSI { 1057}
( segid " A" and resid 26 and name HD1#)
(( segid " A" and resid 26 and name HN ))
2.473 0.765 0.765 peak 1057 weight 1.00000E+00 volume 1.16383E+08 ppm1 8.383 ppm2 0.787
ASSI { 2354}
(( segid " A" and resid 26 and name HG ))
(( segid " A" and resid 26 and name HN ))
3.101 1.202 1.202 peak 2354 weight 1.00000E+00 volume 2.99600E+07 ppm1 8.386 ppm2 1.563
ASSI { 1053}
(( segid " A" and resid 26 and name HB2 ))
(( segid " A" and resid 26 and name HN ))
2.802 0.981 0.981 peak 1053 weight 1.00000E+00 volume 5.21563E+07 ppm1 8.385 ppm2 1.700
ASSI { 1054}
(( segid " A" and resid 26 and name HB2 ))
(( segid " A" and resid 27 and name HN ))
3.098 1.200 1.200 peak 1054 weight 1.00000E+00 volume 3.01222E+07 ppm1 7.511 ppm2 1.679
ASSI { 1065}
(( segid " A" and resid 26 and name HA ))
(( segid " A" and resid 28 and name HN ))
2.783 0.968 0.968 peak 1065 weight 1.00000E+00 volume 5.73801E+07 ppm1 8.160 ppm2 4.642
ASSI { 3559}
( segid " A" and resid 26 and name HD2#)
( segid " A" and resid 29 and name HB# )
2.192 0.600 0.600 peak 3559 weight 1.00000E+00 volume 5.05300E+06 ppm1 1.246 ppm2 0.756
ASSI { 3561}
(( segid " A" and resid 26 and name HB1 ))
( segid " A" and resid 29 and name HB# )
2.280 0.650 0.650 peak 3561 weight 1.00000E+00 volume 3.99000E+06 ppm1 1.246 ppm2 1.425
ASSI { 3563}
(( segid " A" and resid 26 and name HA ))
( segid " A" and resid 29 and name HB# )
2.609 0.851 0.851 peak 3563 weight 1.00000E+00 volume 1.77500E+06 ppm1 1.245 ppm2 4.667
ASSI { 736}
(( segid " A" and resid 26 and name HB1 ))
(( segid " A" and resid 30 and name HG ))
1.954 0.478 0.478 peak 736 weight 1.00000E+00 volume 1.00426E+07 ppm1 1.490 ppm2 1.331
ASSI { 2404}
(( segid " A" and resid 26 and name HB1 ))
(( segid " A" and resid 30 and name HN ))
3.332 1.387 1.387 peak 2404 weight 1.00000E+00 volume 1.94800E+07 ppm1 7.448 ppm2 1.677
ASSI { 593}
( segid " A" and resid 26 and name HD1#)
(( segid " A" and resid 62 and name HB2 ))
2.228 0.621 0.621 peak 593 weight 1.00000E+00 volume 1.54766E+06 ppm1 0.755 ppm2 2.493
OR { 593}
( segid " A" and resid 26 and name HD1#)
(( segid " A" and resid 92 and name HB1 ))
ASSI { 2525}
( segid " A" and resid 26 and name HD# )
(( segid " A" and resid 63 and name HN ))
3.092 1.195 1.195 peak 2525 weight 1.00000E+00 volume 3.04800E+07 ppm1 7.554 ppm2 0.786
ASSI { 3533}
( segid " A" and resid 26 and name HD2#)
(( segid " A" and resid 66 and name HB1 ))
2.090 0.546 0.546 peak 3533 weight 1.00000E+00 volume 6.71200E+06 ppm1 0.754 ppm2 1.946
ASSI { 3864}
(( segid " A" and resid 26 and name HG ))
(( segid " A" and resid 92 and name HA ))
2.612 0.853 0.853 peak 3864 weight 1.00000E+00 volume 1.76100E+06 ppm1 3.922 ppm2 1.612
ASSI { 1879}
(( segid " A" and resid 26 and name HB1 ))
(( segid " A" and resid 92 and name HN ))
3.301 1.362 1.362 peak 1879 weight 1.00000E+00 volume 2.05834E+07 ppm1 7.429 ppm2 1.292
OR { 1879}
( segid " A" and resid 89 and name HG2#)
(( segid " A" and resid 92 and name HN ))
ASSI { 1893}
(( segid " A" and resid 26 and name HG ))
(( segid " A" and resid 93 and name HN ))
3.434 1.474 1.474 peak 1893 weight 1.00000E+00 volume 1.62394E+07 ppm1 7.542 ppm2 1.587
OR { 1893}
(( segid " A" and resid 91 and name HB2 ))
(( segid " A" and resid 93 and name HN ))
ASSI { 3543}
( segid " A" and resid 27 and name HG2#)
(( segid " A" and resid 9 and name HN ))
2.528 0.799 0.799 peak 3543 weight 1.00000E+00 volume 2.14600E+06 ppm1 0.898 ppm2 8.342
ASSI { 409}
(( segid " A" and resid 27 and name HA ))
( segid " A" and resid 21 and name HG2#)
2.296 0.659 0.659 peak 409 weight 1.00000E+00 volume 3.81737E+06 ppm1 0.712 ppm2 3.059
ASSI { 121}
(( segid " A" and resid 27 and name HN ))
(( segid " A" and resid 26 and name HN ))
2.409 0.725 0.725 peak 121 weight 1.00000E+00 volume 6.01104E+07 ppm1 8.380 ppm2 7.508
ASSI { 634}
(( segid " A" and resid 27 and name HA ))
( segid " A" and resid 27 and name HG2#)
2.007 0.503 0.503 peak 634 weight 1.00000E+00 volume 8.56672E+06 ppm1 0.895 ppm2 3.060
ASSI { 640}
( segid " A" and resid 27 and name HG2#)
(( segid " A" and resid 27 and name HB ))
1.726 0.372 0.372 peak 640 weight 1.00000E+00 volume 2.11751E+07 ppm1 0.896 ppm2 1.946
ASSI { 2655}
(( segid " A" and resid 27 and name HA ))
(( segid " A" and resid 27 and name HB ))
2.584 0.835 0.835 peak 2655 weight 1.00000E+00 volume 1.14410E+06 ppm1 1.949 ppm2 3.064
ASSI { 656}
(( segid " A" and resid 27 and name HN ))
(( segid " A" and resid 27 and name HB ))
2.191 0.600 0.600 peak 656 weight 1.00000E+00 volume 2.40556E+08 ppm1 7.513 ppm2 1.946
ASSI { 2392}
(( segid " A" and resid 27 and name HA ))
(( segid " A" and resid 27 and name HN ))
2.466 0.760 0.760 peak 2392 weight 1.00000E+00 volume 1.11600E+08 ppm1 7.513 ppm2 3.041
ASSI { 3551}
( segid " A" and resid 27 and name HG1#)
(( segid " A" and resid 28 and name HA ))
2.343 0.686 0.686 peak 3551 weight 1.00000E+00 volume 3.38000E+06 ppm1 3.902 ppm2 0.785
OR { 3551}
( segid " A" and resid 26 and name HD2#)
(( segid " A" and resid 66 and name HA ))
ASSI { 3556}
( segid " A" and resid 27 and name HG1#)
( segid " A" and resid 28 and name HG# )
2.286 0.653 0.653 peak 3556 weight 1.00000E+00 volume 3.92700E+06 ppm1 2.254 ppm2 0.799
ASSI { 4120}
(( segid " A" and resid 27 and name HN ))
( segid " A" and resid 28 and name HG# )
2.760 0.952 0.952 peak 4120 weight 1.00000E+00 volume 1.26700E+06 ppm1 2.240 ppm2 7.538
ASSI { 227}
(( segid " A" and resid 27 and name HN ))
(( segid " A" and resid 28 and name HN ))
2.267 0.642 0.642 peak 227 weight 1.00000E+00 volume 1.27601E+08 ppm1 7.514 ppm2 8.157
ASSI { 917}
( segid " A" and resid 27 and name HG1#)
(( segid " A" and resid 28 and name HN ))
2.304 0.664 0.664 peak 917 weight 1.00000E+00 volume 1.78038E+08 ppm1 8.158 ppm2 0.776
ASSI { 1348}
(( segid " A" and resid 27 and name HN ))
(( segid " A" and resid 28 and name HG1 ))
3.365 1.416 1.416 peak 1348 weight 1.00000E+00 volume 1.83382E+07 ppm1 7.513 ppm2 2.216
ASSI { 470}
(( segid " A" and resid 27 and name HA ))
(( segid " A" and resid 28 and name HN ))
2.704 0.914 0.914 peak 470 weight 1.00000E+00 volume 6.82139E+07 ppm1 8.159 ppm2 3.035
ASSI { 3540}
(( segid " A" and resid 27 and name HA ))
(( segid " A" and resid 30 and name HG ))
2.788 0.971 0.971 peak 3540 weight 1.00000E+00 volume 1.19300E+06 ppm1 3.062 ppm2 1.507
ASSI { 2401}
(( segid " A" and resid 27 and name HA ))
(( segid " A" and resid 30 and name HN ))
3.151 1.241 1.241 peak 2401 weight 1.00000E+00 volume 2.72300E+07 ppm1 7.440 ppm2 3.043
ASSI { 1388}
(( segid " A" and resid 27 and name HA ))
(( segid " A" and resid 31 and name HE21))
3.301 1.362 1.362 peak 1388 weight 1.00000E+00 volume 2.05878E+07 ppm1 7.185 ppm2 3.042
ASSI { 3542}
(( segid " A" and resid 28 and name HN ))
(( segid " A" and resid 27 and name HB ))
2.373 0.704 0.704 peak 3542 weight 1.00000E+00 volume 3.13500E+06 ppm1 1.947 ppm2 8.155
ASSI { 646}
(( segid " A" and resid 28 and name HA ))
(( segid " A" and resid 28 and name HB2 ))
1.838 0.422 0.422 peak 646 weight 1.00000E+00 volume 1.45149E+07 ppm1 3.908 ppm2 1.957
ASSI { 658}
(( segid " A" and resid 28 and name HA ))
(( segid " A" and resid 28 and name HB1 ))
2.166 0.586 0.586 peak 658 weight 1.00000E+00 volume 5.42309E+06 ppm1 1.996 ppm2 3.900
ASSI { 662}
(( segid " A" and resid 28 and name HN ))
(( segid " A" and resid 28 and name HB2 ))
2.338 0.683 0.683 peak 662 weight 1.00000E+00 volume 3.42744E+06 ppm1 1.948 ppm2 8.145
ASSI { 1067}
(( segid " A" and resid 28 and name HN ))
( segid " A" and resid 28 and name HG# )
2.246 0.630 0.630 peak 1067 weight 1.00000E+00 volume 1.95172E+08 ppm1 8.159 ppm2 2.235
ASSI { 3554}
(( segid " A" and resid 28 and name HB2 ))
( segid " A" and resid 28 and name HG# )
1.874 0.439 0.439 peak 3554 weight 1.00000E+00 volume 1.29200E+07 ppm1 1.997 ppm2 2.235
ASSI { 1066}
(( segid " A" and resid 28 and name HN ))
(( segid " A" and resid 28 and name HA ))
2.251 0.633 0.633 peak 1066 weight 1.00000E+00 volume 2.04717E+08 ppm1 8.158 ppm2 3.880
ASSI { 3557}
( segid " A" and resid 28 and name HG# )
( segid " A" and resid 29 and name HB# )
2.505 0.785 0.785 peak 3557 weight 1.00000E+00 volume 2.26400E+06 ppm1 2.257 ppm2 1.237
ASSI { 110}
(( segid " A" and resid 28 and name HN ))
(( segid " A" and resid 29 and name HN ))
2.422 0.733 0.733 peak 110 weight 1.00000E+00 volume 1.32122E+08 ppm1 8.158 ppm2 8.051
ASSI { 2251}
(( segid " A" and resid 28 and name HA ))
(( segid " A" and resid 29 and name HN ))
2.899 1.051 1.051 peak 2251 weight 1.00000E+00 volume 4.48709E+07 ppm1 8.090 ppm2 3.881
ASSI { 3575}
(( segid " A" and resid 28 and name HA ))
( segid " A" and resid 31 and name HB# )
2.604 0.848 0.848 peak 3575 weight 1.00000E+00 volume 1.79500E+06 ppm1 2.125 ppm2 3.891
ASSI { 678}
(( segid " A" and resid 29 and name HA ))
(( segid " A" and resid 29 and name HN ))
2.173 0.590 0.590 peak 678 weight 1.00000E+00 volume 5.31501E+06 ppm1 4.060 ppm2 8.058
ASSI { 686}
(( segid " A" and resid 29 and name HA ))
( segid " A" and resid 29 and name HB# )
2.032 0.516 0.516 peak 686 weight 1.00000E+00 volume 7.95717E+06 ppm1 1.245 ppm2 4.059
ASSI { 2894}
(( segid " A" and resid 29 and name HN ))
( segid " A" and resid 29 and name HB# )
2.139 0.572 0.572 peak 2894 weight 1.00000E+00 volume 2.54925E+08 ppm1 8.091 ppm2 1.207
ASSI { 471}
( segid " A" and resid 29 and name HB# )
(( segid " A" and resid 30 and name HN ))
2.394 0.716 0.716 peak 471 weight 1.00000E+00 volume 1.41521E+08 ppm1 7.441 ppm2 1.220
ASSI { 472}
(( segid " A" and resid 29 and name HA ))
(( segid " A" and resid 30 and name HN ))
3.136 1.230 1.230 peak 472 weight 1.00000E+00 volume 2.79932E+07 ppm1 7.440 ppm2 4.034
ASSI { 370}
(( segid " A" and resid 29 and name HN ))
(( segid " A" and resid 30 and name HN ))
2.634 0.867 0.867 peak 370 weight 1.00000E+00 volume 1.79702E+07 ppm1 8.036 ppm2 7.448
ASSI { 417}
( segid " A" and resid 30 and name HD1#)
( segid " A" and resid 21 and name HG2#)
1.902 0.452 0.452 peak 417 weight 1.00000E+00 volume 1.18418E+07 ppm1 0.711 ppm2 0.558
ASSI { 419}
( segid " A" and resid 30 and name HD2#)
( segid " A" and resid 21 and name HG2#)
2.557 0.817 0.817 peak 419 weight 1.00000E+00 volume 2.00287E+06 ppm1 0.709 ppm2 0.199
ASSI { 3568}
( segid " A" and resid 30 and name HD2#)
(( segid " A" and resid 21 and name HB ))
3.045 1.159 1.159 peak 3568 weight 1.00000E+00 volume 7.02700E+05 ppm1 0.172 ppm2 2.065
ASSI { 681}
( segid " A" and resid 30 and name HD2#)
( segid " A" and resid 29 and name HB# )
2.714 0.921 0.921 peak 681 weight 1.00000E+00 volume 1.40171E+06 ppm1 1.245 ppm2 0.182
ASSI { 693}
(( segid " A" and resid 30 and name HA ))
(( segid " A" and resid 30 and name HB2 ))
2.397 0.718 0.718 peak 693 weight 1.00000E+00 volume 2.94831E+06 ppm1 3.957 ppm2 1.485
ASSI { 694}
(( segid " A" and resid 30 and name HA ))
(( segid " A" and resid 30 and name HB1 ))
2.527 0.798 0.798 peak 694 weight 1.00000E+00 volume 2.14868E+06 ppm1 3.964 ppm2 1.289
ASSI { 1073}
(( segid " A" and resid 30 and name HN ))
(( segid " A" and resid 30 and name HB2 ))
2.270 0.644 0.644 peak 1073 weight 1.00000E+00 volume 1.94700E+08 ppm1 7.442 ppm2 1.476
ASSI { 708}
( segid " A" and resid 30 and name HD2#)
(( segid " A" and resid 30 and name HB1 ))
2.240 0.627 0.627 peak 708 weight 1.00000E+00 volume 4.43515E+06 ppm1 0.169 ppm2 1.290
ASSI { 709}
( segid " A" and resid 30 and name HD2#)
(( segid " A" and resid 30 and name HG ))
2.153 0.579 0.579 peak 709 weight 1.00000E+00 volume 5.62264E+06 ppm1 0.169 ppm2 1.500
ASSI { 695}
( segid " A" and resid 30 and name HD2#)
(( segid " A" and resid 30 and name HA ))
2.186 0.598 0.598 peak 695 weight 1.00000E+00 volume 3.91831E+06 ppm1 3.965 ppm2 0.157
ASSI { 706}
( segid " A" and resid 30 and name HD1#)
( segid " A" and resid 30 and name HD2#)
2.076 0.539 0.539 peak 706 weight 1.00000E+00 volume 5.71533E+06 ppm1 0.167 ppm2 0.540
ASSI { 726}
( segid " A" and resid 30 and name HD1#)
(( segid " A" and resid 30 and name HB1 ))
2.171 0.589 0.589 peak 726 weight 1.00000E+00 volume 5.35324E+06 ppm1 0.540 ppm2 1.295
ASSI { 727}
( segid " A" and resid 30 and name HD1#)
(( segid " A" and resid 30 and name HG ))
2.029 0.515 0.515 peak 727 weight 1.00000E+00 volume 8.01836E+06 ppm1 0.539 ppm2 1.500
ASSI { 731}
(( segid " A" and resid 30 and name HG ))
(( segid " A" and resid 30 and name HA ))
2.514 0.790 0.790 peak 731 weight 1.00000E+00 volume 2.21553E+06 ppm1 1.494 ppm2 3.950
ASSI { 733}
(( segid " A" and resid 30 and name HG ))
(( segid " A" and resid 30 and name HN ))
2.699 0.910 0.910 peak 733 weight 1.00000E+00 volume 1.44861E+06 ppm1 1.481 ppm2 7.427
ASSI { 1076}
( segid " A" and resid 30 and name HD2#)
(( segid " A" and resid 30 and name HN ))
2.747 0.943 0.943 peak 1076 weight 1.00000E+00 volume 4.82195E+07 ppm1 7.440 ppm2 0.150
ASSI { 3572}
( segid " A" and resid 30 and name HD1#)
(( segid " A" and resid 30 and name HA ))
2.775 0.963 0.963 peak 3572 weight 1.00000E+00 volume 1.22500E+06 ppm1 0.540 ppm2 3.976
ASSI { 1072}
(( segid " A" and resid 30 and name HN ))
(( segid " A" and resid 30 and name HA ))
2.618 0.857 0.857 peak 1072 weight 1.00000E+00 volume 8.26612E+07 ppm1 7.443 ppm2 3.934
ASSI { 1075}
( segid " A" and resid 30 and name HD1#)
(( segid " A" and resid 30 and name HN ))
2.769 0.958 0.958 peak 1075 weight 1.00000E+00 volume 5.20516E+07 ppm1 7.443 ppm2 0.520
ASSI { 1077}
( segid " A" and resid 30 and name HD2#)
(( segid " A" and resid 31 and name HN ))
3.167 1.254 1.254 peak 1077 weight 1.00000E+00 volume 2.64117E+07 ppm1 7.569 ppm2 0.144
ASSI { 1078}
( segid " A" and resid 30 and name HD1#)
(( segid " A" and resid 31 and name HN ))
3.440 1.479 1.479 peak 1078 weight 1.00000E+00 volume 1.60835E+07 ppm1 7.572 ppm2 0.515
ASSI { 2419}
(( segid " A" and resid 30 and name HA ))
(( segid " A" and resid 32 and name HN ))
2.618 0.857 0.857 peak 2419 weight 1.00000E+00 volume 8.27700E+07 ppm1 7.639 ppm2 3.929
ASSI { 1685}
( segid " A" and resid 30 and name HD1#)
(( segid " A" and resid 70 and name HN ))
3.182 1.265 1.265 peak 1685 weight 1.00000E+00 volume 2.56857E+07 ppm1 7.770 ppm2 0.560
OR { 1685}
( segid " A" and resid 30 and name HD1#)
(( segid " A" and resid 22 and name HN ))
ASSI { 3296}
( segid " A" and resid 30 and name HD2#)
( segid " A" and resid 72 and name HG2#)
2.500 0.782 0.782 peak 3296 weight 1.00000E+00 volume 2.29083E+06 ppm1 0.966 ppm2 0.151
ASSI { 692}
(( segid " A" and resid 30 and name HA ))
(( segid " A" and resid 91 and name HG ))
2.700 0.911 0.911 peak 692 weight 1.00000E+00 volume 1.44431E+06 ppm1 3.953 ppm2 1.799
ASSI { 2058}
( segid " A" and resid 30 and name HD2#)
( segid " A" and resid 91 and name HD1#)
1.812 0.410 0.410 peak 2058 weight 1.00000E+00 volume 7.15245E+05 ppm1 0.899 ppm2 0.202
ASSI { 1389}
(( segid " A" and resid 31 and name HE21))
(( segid " A" and resid 6 and name HB1 ))
3.388 1.435 1.435 peak 1389 weight 1.00000E+00 volume 1.76004E+07 ppm1 7.188 ppm2 2.661
ASSI { 1410}
(( segid " A" and resid 31 and name HE21))
( segid " A" and resid 9 and name HG2#)
2.878 1.035 1.035 peak 1410 weight 1.00000E+00 volume 4.69100E+07 ppm1 7.187 ppm2 0.888
OR { 1410}
(( segid " A" and resid 31 and name HE21))
( segid " A" and resid 27 and name HG2#)
ASSI { 1408}
(( segid " A" and resid 31 and name HE22))
( segid " A" and resid 27 and name HG2#)
3.122 1.219 1.219 peak 1408 weight 1.00000E+00 volume 2.87443E+07 ppm1 6.761 ppm2 0.887
OR { 1408}
(( segid " A" and resid 31 and name HE22))
( segid " A" and resid 9 and name HG2#)
ASSI { 2415}
(( segid " A" and resid 31 and name HE22))
( segid " A" and resid 27 and name HG2#)
3.123 1.219 1.219 peak 2415 weight 1.00000E+00 volume 2.87400E+07 ppm1 6.761 ppm2 0.887
ASSI { 2417}
(( segid " A" and resid 31 and name HE21))
( segid " A" and resid 27 and name HG2#)
2.878 1.035 1.035 peak 2417 weight 1.00000E+00 volume 4.69100E+07 ppm1 7.187 ppm2 0.888
ASSI { 3552}
(( segid " A" and resid 31 and name HG1 ))
(( segid " A" and resid 28 and name HA ))
2.588 0.837 0.837 peak 3552 weight 1.00000E+00 volume 1.86400E+06 ppm1 3.903 ppm2 2.517
ASSI { 3584}
(( segid " A" and resid 31 and name HG2 ))
(( segid " A" and resid 28 and name HA ))
2.583 0.834 0.834 peak 3584 weight 1.00000E+00 volume 1.88600E+06 ppm1 2.361 ppm2 3.906
ASSI { 1386}
(( segid " A" and resid 31 and name HE21))
(( segid " A" and resid 28 and name HA ))
2.881 1.038 1.038 peak 1386 weight 1.00000E+00 volume 4.65522E+07 ppm1 7.185 ppm2 3.879
ASSI { 1387}
(( segid " A" and resid 31 and name HE22))
(( segid " A" and resid 28 and name HA ))
3.391 1.438 1.438 peak 1387 weight 1.00000E+00 volume 1.75065E+07 ppm1 6.762 ppm2 3.879
ASSI { 2396}
(( segid " A" and resid 31 and name HG1 ))
(( segid " A" and resid 28 and name HN ))
3.530 1.558 1.558 peak 2396 weight 1.00000E+00 volume 1.37700E+07 ppm1 8.157 ppm2 2.518
ASSI { 2397}
(( segid " A" and resid 31 and name HG2 ))
(( segid " A" and resid 28 and name HN ))
3.663 1.677 1.677 peak 2397 weight 1.00000E+00 volume 1.10300E+07 ppm1 8.160 ppm2 2.394
ASSI { 2248}
(( segid " A" and resid 31 and name HN ))
(( segid " A" and resid 29 and name HN ))
3.222 1.297 1.297 peak 2248 weight 1.00000E+00 volume 2.38219E+07 ppm1 8.090 ppm2 7.573
ASSI { 2406}
(( segid " A" and resid 31 and name HN ))
(( segid " A" and resid 29 and name HA ))
2.918 1.064 1.064 peak 2406 weight 1.00000E+00 volume 4.31700E+07 ppm1 7.571 ppm2 4.032
ASSI { 373}
(( segid " A" and resid 31 and name HN ))
(( segid " A" and resid 30 and name HN ))
2.298 0.660 0.660 peak 373 weight 1.00000E+00 volume 1.80733E+08 ppm1 7.570 ppm2 7.441
ASSI { 1080}
(( segid " A" and resid 31 and name HN ))
(( segid " A" and resid 30 and name HB2 ))
2.600 0.845 0.845 peak 1080 weight 1.00000E+00 volume 8.61745E+07 ppm1 7.570 ppm2 1.476
ASSI { 1405}
(( segid " A" and resid 31 and name HE21))
(( segid " A" and resid 30 and name HB1 ))
2.995 1.122 1.122 peak 1405 weight 1.00000E+00 volume 3.68806E+07 ppm1 7.186 ppm2 1.291
OR { 1405}
( segid " A" and resid 3 and name HG2#)
(( segid " A" and resid 31 and name HE21))
ASSI { 2413}
(( segid " A" and resid 31 and name HE21))
(( segid " A" and resid 30 and name HB2 ))
2.995 1.122 1.122 peak 2413 weight 1.00000E+00 volume 3.68800E+07 ppm1 7.186 ppm2 1.291
ASSI { 742}
(( segid " A" and resid 31 and name HG2 ))
( segid " A" and resid 31 and name HB# )
2.025 0.513 0.513 peak 742 weight 1.00000E+00 volume 8.11489E+06 ppm1 2.125 ppm2 2.339
ASSI { 751}
(( segid " A" and resid 31 and name HG1 ))
( segid " A" and resid 31 and name HB# )
2.137 0.571 0.571 peak 751 weight 1.00000E+00 volume 5.87024E+06 ppm1 2.526 ppm2 2.127
ASSI { 752}
(( segid " A" and resid 31 and name HG1 ))
(( segid " A" and resid 31 and name HG2 ))
1.869 0.437 0.437 peak 752 weight 1.00000E+00 volume 1.31429E+07 ppm1 2.527 ppm2 2.358
ASSI { 767}
(( segid " A" and resid 31 and name HG2 ))
(( segid " A" and resid 31 and name HA ))
2.413 0.728 0.728 peak 767 weight 1.00000E+00 volume 2.83366E+06 ppm1 2.355 ppm2 4.563
ASSI { 3576}
( segid " A" and resid 31 and name HB# )
(( segid " A" and resid 31 and name HA ))
2.513 0.789 0.789 peak 3576 weight 1.00000E+00 volume 2.22200E+06 ppm1 2.129 ppm2 4.556
ASSI { 657}
(( segid " A" and resid 31 and name HN ))
(( segid " A" and resid 31 and name HA ))
2.423 0.734 0.734 peak 657 weight 1.00000E+00 volume 1.31728E+08 ppm1 7.569 ppm2 4.536
ASSI { 990}
(( segid " A" and resid 31 and name HN ))
(( segid " A" and resid 31 and name HG2 ))
2.318 0.672 0.672 peak 990 weight 1.00000E+00 volume 9.55374E+07 ppm1 7.569 ppm2 2.347
ASSI { 991}
(( segid " A" and resid 31 and name HN ))
(( segid " A" and resid 31 and name HG1 ))
2.501 0.782 0.782 peak 991 weight 1.00000E+00 volume 1.08963E+08 ppm1 7.570 ppm2 2.517
ASSI { 992}
(( segid " A" and resid 31 and name HN ))
( segid " A" and resid 31 and name HB# )
2.128 0.566 0.566 peak 992 weight 1.00000E+00 volume 2.87160E+08 ppm1 7.569 ppm2 2.109
ASSI { 1378}
(( segid " A" and resid 31 and name HE22))
(( segid " A" and resid 31 and name HE21))
1.634 0.334 0.334 peak 1378 weight 1.00000E+00 volume 1.27879E+09 ppm1 6.760 ppm2 7.183
ASSI { 1390}
(( segid " A" and resid 31 and name HG1 ))
(( segid " A" and resid 31 and name HE21))
2.364 0.698 0.698 peak 1390 weight 1.00000E+00 volume 1.52750E+08 ppm1 7.185 ppm2 2.513
ASSI { 1391}
(( segid " A" and resid 31 and name HG1 ))
(( segid " A" and resid 31 and name HE22))
2.738 0.937 0.937 peak 1391 weight 1.00000E+00 volume 6.31615E+07 ppm1 6.759 ppm2 2.516
ASSI { 1392}
(( segid " A" and resid 31 and name HG2 ))
(( segid " A" and resid 31 and name HE21))
2.278 0.649 0.649 peak 1392 weight 1.00000E+00 volume 1.90715E+08 ppm1 7.185 ppm2 2.347
ASSI { 1393}
(( segid " A" and resid 31 and name HG2 ))
(( segid " A" and resid 31 and name HE22))
2.669 0.890 0.890 peak 1393 weight 1.00000E+00 volume 7.37579E+07 ppm1 6.760 ppm2 2.347
ASSI { 1396}
(( segid " A" and resid 31 and name HE22))
(( segid " A" and resid 31 and name HA ))
3.178 1.263 1.263 peak 1396 weight 1.00000E+00 volume 2.58476E+07 ppm1 6.761 ppm2 4.566
ASSI { 1397}
(( segid " A" and resid 31 and name HE21))
(( segid " A" and resid 31 and name HA ))
3.042 1.157 1.157 peak 1397 weight 1.00000E+00 volume 3.36050E+07 ppm1 7.184 ppm2 4.545
ASSI { 376}
(( segid " A" and resid 31 and name HN ))
(( segid " A" and resid 32 and name HN ))
2.108 0.556 0.556 peak 376 weight 1.00000E+00 volume 3.03271E+08 ppm1 7.638 ppm2 7.568
ASSI { 474}
(( segid " A" and resid 31 and name HA ))
(( segid " A" and resid 32 and name HN ))
2.712 0.919 0.919 peak 474 weight 1.00000E+00 volume 6.69891E+07 ppm1 7.637 ppm2 4.534
ASSI { 993}
( segid " A" and resid 31 and name HB# )
(( segid " A" and resid 32 and name HN ))
2.723 0.927 0.927 peak 993 weight 1.00000E+00 volume 6.53236E+07 ppm1 7.638 ppm2 2.109
ASSI { 1086}
(( segid " A" and resid 31 and name HG2 ))
(( segid " A" and resid 32 and name HN ))
3.424 1.466 1.466 peak 1086 weight 1.00000E+00 volume 1.65233E+07 ppm1 7.638 ppm2 2.328
ASSI { 776}
(( segid " A" and resid 33 and name HA ))
(( segid " A" and resid 33 and name HB2 ))
2.262 0.640 0.640 peak 776 weight 1.00000E+00 volume 4.18019E+06 ppm1 4.187 ppm2 2.329
ASSI { 778}
(( segid " A" and resid 33 and name HA ))
(( segid " A" and resid 33 and name HB1 ))
2.339 0.684 0.684 peak 778 weight 1.00000E+00 volume 1.58977E+06 ppm1 4.182 ppm2 1.812
ASSI { 786}
(( segid " A" and resid 33 and name HB2 ))
(( segid " A" and resid 33 and name HG1 ))
2.117 0.560 0.560 peak 786 weight 1.00000E+00 volume 6.21046E+06 ppm1 2.318 ppm2 2.013
ASSI { 789}
(( segid " A" and resid 33 and name HB2 ))
(( segid " A" and resid 33 and name HB1 ))
1.993 0.496 0.496 peak 789 weight 1.00000E+00 volume 8.93626E+06 ppm1 2.319 ppm2 1.806
ASSI { 792}
(( segid " A" and resid 33 and name HG1 ))
(( segid " A" and resid 33 and name HG2 ))
1.588 0.315 0.315 peak 792 weight 1.00000E+00 volume 3.49298E+07 ppm1 2.135 ppm2 2.010
ASSI { 4272}
(( segid " A" and resid 33 and name HG2 ))
( segid " A" and resid 33 and name HD# )
2.084 0.543 0.543 peak 4272 weight 1.00000E+00 volume 6.84049E+06 ppm1 3.760 ppm2 2.141
ASSI { 475}
(( segid " A" and resid 33 and name HB1 ))
(( segid " A" and resid 34 and name HN ))
2.684 0.901 0.901 peak 475 weight 1.00000E+00 volume 7.11933E+07 ppm1 8.016 ppm2 1.785
ASSI { 477}
(( segid " A" and resid 33 and name HA ))
(( segid " A" and resid 34 and name HN ))
2.830 1.001 1.001 peak 477 weight 1.00000E+00 volume 5.18642E+07 ppm1 8.013 ppm2 4.150
ASSI { 1087}
(( segid " A" and resid 33 and name HG2 ))
(( segid " A" and resid 34 and name HN ))
2.947 1.086 1.086 peak 1087 weight 1.00000E+00 volume 4.06563E+07 ppm1 8.015 ppm2 2.138
ASSI { 2423}
(( segid " A" and resid 33 and name HG1 ))
(( segid " A" and resid 34 and name HN ))
3.118 1.215 1.215 peak 2423 weight 1.00000E+00 volume 2.90000E+07 ppm1 8.014 ppm2 1.978
ASSI { 805}
(( segid " A" and resid 34 and name HA2 ))
(( segid " A" and resid 34 and name HA1 ))
2.180 0.594 0.594 peak 805 weight 1.00000E+00 volume 5.22273E+06 ppm1 2.441 ppm2 2.793
ASSI { 1021}
(( segid " A" and resid 34 and name HA1 ))
(( segid " A" and resid 34 and name HN ))
2.393 0.716 0.716 peak 1021 weight 1.00000E+00 volume 1.41880E+08 ppm1 8.014 ppm2 2.761
ASSI { 1020}
(( segid " A" and resid 34 and name HA2 ))
(( segid " A" and resid 34 and name HN ))
2.195 0.602 0.602 peak 1020 weight 1.00000E+00 volume 2.38026E+08 ppm1 8.015 ppm2 2.432
ASSI { 816}
(( segid " A" and resid 35 and name HD2 ))
(( segid " A" and resid 35 and name HB2 ))
2.679 0.897 0.897 peak 816 weight 1.00000E+00 volume 1.51572E+06 ppm1 3.327 ppm2 2.198
ASSI { 818}
(( segid " A" and resid 35 and name HD2 ))
(( segid " A" and resid 35 and name HG1 ))
2.491 0.776 0.776 peak 818 weight 1.00000E+00 volume 2.34053E+06 ppm1 3.325 ppm2 1.795
ASSI { 821}
(( segid " A" and resid 35 and name HD1 ))
(( segid " A" and resid 35 and name HB1 ))
2.862 1.024 1.024 peak 821 weight 1.00000E+00 volume 1.01946E+06 ppm1 3.267 ppm2 1.586
ASSI { 822}
(( segid " A" and resid 35 and name HD1 ))
(( segid " A" and resid 35 and name HG2 ))
2.342 0.686 0.686 peak 822 weight 1.00000E+00 volume 3.39410E+06 ppm1 3.271 ppm2 1.371
ASSI { 823}
(( segid " A" and resid 35 and name HD2 ))
(( segid " A" and resid 35 and name HG2 ))
2.450 0.751 0.751 peak 823 weight 1.00000E+00 volume 2.58555E+06 ppm1 3.324 ppm2 1.372
ASSI { 824}
(( segid " A" and resid 35 and name HG1 ))
(( segid " A" and resid 35 and name HG2 ))
2.095 0.549 0.549 peak 824 weight 1.00000E+00 volume 6.59308E+06 ppm1 1.811 ppm2 1.369
ASSI { 830}
(( segid " A" and resid 35 and name HB1 ))
(( segid " A" and resid 35 and name HG1 ))
2.298 0.660 0.660 peak 830 weight 1.00000E+00 volume 3.80541E+06 ppm1 1.813 ppm2 1.562
ASSI { 831}
(( segid " A" and resid 35 and name HB2 ))
(( segid " A" and resid 35 and name HG1 ))
2.477 0.767 0.767 peak 831 weight 1.00000E+00 volume 2.42190E+06 ppm1 1.809 ppm2 2.183
ASSI { 832}
(( segid " A" and resid 35 and name HB2 ))
(( segid " A" and resid 35 and name HG2 ))
2.809 0.986 0.986 peak 832 weight 1.00000E+00 volume 1.14029E+06 ppm1 1.372 ppm2 2.179
ASSI { 819}
(( segid " A" and resid 35 and name HD1 ))
(( segid " A" and resid 35 and name HG1 ))
2.199 0.604 0.604 peak 819 weight 1.00000E+00 volume 2.19908E+06 ppm1 3.263 ppm2 1.801
ASSI { 1901}
(( segid " A" and resid 35 and name HB1 ))
(( segid " A" and resid 36 and name HN ))
3.048 1.161 1.161 peak 1901 weight 1.00000E+00 volume 3.32187E+07 ppm1 8.447 ppm2 1.557
ASSI { 2318}
(( segid " A" and resid 35 and name HB2 ))
(( segid " A" and resid 36 and name HN ))
2.603 0.847 0.847 peak 2318 weight 1.00000E+00 volume 8.55500E+07 ppm1 8.479 ppm2 1.553
ASSI { 3591}
(( segid " A" and resid 35 and name HG2 ))
(( segid " A" and resid 75 and name HA2 ))
2.629 0.864 0.864 peak 3591 weight 1.00000E+00 volume 1.69681E+06 ppm1 1.372 ppm2 4.074
ASSI { 1736}
( segid " A" and resid 35 and name HB# )
(( segid " A" and resid 75 and name HN ))
3.147 1.238 1.238 peak 1736 weight 1.00000E+00 volume 2.74204E+07 ppm1 7.930 ppm2 1.779
ASSI { 2586}
(( segid " A" and resid 35 and name HG1 ))
(( segid " A" and resid 75 and name HN ))
3.147 1.238 1.238 peak 2586 weight 1.00000E+00 volume 2.74200E+07 ppm1 7.930 ppm2 1.779
ASSI { 829}
(( segid " A" and resid 35 and name HG2 ))
( segid " A" and resid 76 and name HB# )
2.459 0.756 0.756 peak 829 weight 1.00000E+00 volume 2.49519E+06 ppm1 1.377 ppm2 0.975
ASSI { 2592}
(( segid " A" and resid 35 and name HG1 ))
(( segid " A" and resid 76 and name HN ))
2.771 0.960 0.960 peak 2592 weight 1.00000E+00 volume 4.62500E+07 ppm1 7.866 ppm2 1.782
ASSI { 2594}
(( segid " A" and resid 35 and name HG2 ))
(( segid " A" and resid 76 and name HN ))
2.635 0.868 0.868 peak 2594 weight 1.00000E+00 volume 7.28900E+07 ppm1 7.866 ppm2 1.350
ASSI { 1647}
(( segid " A" and resid 35 and name HB1 ))
( segid " A" and resid 76 and name HB# )
2.300 0.661 0.661 peak 1647 weight 1.00000E+00 volume 3.77993E+06 ppm1 0.967 ppm2 1.578
ASSI { 1648}
( segid " A" and resid 35 and name HB# )
( segid " A" and resid 76 and name HB# )
2.361 0.697 0.697 peak 1648 weight 1.00000E+00 volume 3.23502E+06 ppm1 0.969 ppm2 1.808
ASSI { 1649}
(( segid " A" and resid 35 and name HB2 ))
( segid " A" and resid 76 and name HB# )
2.438 0.743 0.743 peak 1649 weight 1.00000E+00 volume 2.66451E+06 ppm1 0.972 ppm2 2.169
ASSI { 3757}
(( segid " A" and resid 35 and name HG1 ))
( segid " A" and resid 76 and name HB# )
2.361 0.697 0.697 peak 3757 weight 1.00000E+00 volume 3.23500E+06 ppm1 0.969 ppm2 1.808
ASSI { 1742}
(( segid " A" and resid 35 and name HD2 ))
(( segid " A" and resid 76 and name HN ))
3.201 1.281 1.281 peak 1742 weight 1.00000E+00 volume 2.47525E+07 ppm1 7.867 ppm2 3.346
ASSI { 1743}
(( segid " A" and resid 35 and name HD1 ))
(( segid " A" and resid 76 and name HN ))
3.053 1.165 1.165 peak 1743 weight 1.00000E+00 volume 3.29213E+07 ppm1 7.865 ppm2 3.238
OR { 1743}
(( segid " A" and resid 5 and name HA ))
(( segid " A" and resid 8 and name HN ))
ASSI { 2590}
(( segid " A" and resid 35 and name HD1 ))
(( segid " A" and resid 76 and name HN ))
3.285 1.349 1.349 peak 2590 weight 1.00000E+00 volume 2.12100E+07 ppm1 7.868 ppm2 3.351
ASSI { 2591}
(( segid " A" and resid 35 and name HB1 ))
(( segid " A" and resid 76 and name HN ))
3.354 1.406 1.406 peak 2591 weight 1.00000E+00 volume 1.87000E+07 ppm1 7.867 ppm2 2.151
ASSI { 2593}
(( segid " A" and resid 35 and name HB2 ))
(( segid " A" and resid 76 and name HN ))
2.886 1.041 1.041 peak 2593 weight 1.00000E+00 volume 4.60700E+07 ppm1 7.864 ppm2 1.558
ASSI { 478}
(( segid " A" and resid 36 and name HN ))
(( segid " A" and resid 35 and name HA ))
2.343 0.686 0.686 peak 478 weight 1.00000E+00 volume 1.60915E+08 ppm1 8.480 ppm2 5.040
ASSI { 843}
(( segid " A" and resid 36 and name HA ))
(( segid " A" and resid 36 and name HB2 ))
2.614 0.854 0.854 peak 843 weight 1.00000E+00 volume 1.75293E+06 ppm1 5.520 ppm2 2.462
ASSI { 850}
(( segid " A" and resid 36 and name HB2 ))
(( segid " A" and resid 36 and name HB1 ))
2.257 0.637 0.637 peak 850 weight 1.00000E+00 volume 3.37493E+06 ppm1 2.422 ppm2 3.005
ASSI { 857}
(( segid " A" and resid 36 and name HA ))
(( segid " A" and resid 36 and name HB1 ))
2.508 0.786 0.786 peak 857 weight 1.00000E+00 volume 1.44901E+06 ppm1 3.017 ppm2 5.554
ASSI { 660}
(( segid " A" and resid 36 and name HB1 ))
(( segid " A" and resid 36 and name HN ))
2.788 0.971 0.971 peak 660 weight 1.00000E+00 volume 5.67576E+07 ppm1 8.480 ppm2 3.003
ASSI { 659}
(( segid " A" and resid 36 and name HA ))
(( segid " A" and resid 36 and name HN ))
2.678 0.896 0.896 peak 659 weight 1.00000E+00 volume 6.54668E+07 ppm1 8.478 ppm2 5.520
ASSI { 480}
(( segid " A" and resid 36 and name HA ))
(( segid " A" and resid 37 and name HN ))
2.347 0.688 0.688 peak 480 weight 1.00000E+00 volume 1.59416E+08 ppm1 9.583 ppm2 5.519
ASSI { 994}
(( segid " A" and resid 36 and name HB2 ))
(( segid " A" and resid 37 and name HN ))
2.830 1.001 1.001 peak 994 weight 1.00000E+00 volume 5.18722E+07 ppm1 9.579 ppm2 2.396
ASSI { 853}
(( segid " A" and resid 36 and name HB2 ))
( segid " A" and resid 72 and name HG1#)
2.200 0.605 0.605 peak 853 weight 1.00000E+00 volume 4.16906E+06 ppm1 2.424 ppm2 0.869
ASSI { 3278}
(( segid " A" and resid 36 and name HB2 ))
( segid " A" and resid 72 and name HG1#)
2.502 0.782 0.782 peak 3278 weight 1.00000E+00 volume 2.28439E+06 ppm1 0.898 ppm2 2.424
OR { 3278}
( segid " A" and resid 58 and name HG1#)
(( segid " A" and resid 59 and name HG2 ))
ASSI { 3737}
(( segid " A" and resid 36 and name HA ))
( segid " A" and resid 72 and name HG1#)
2.994 1.121 1.121 peak 3737 weight 1.00000E+00 volume 7.76900E+05 ppm1 0.874 ppm2 5.514
ASSI { 1713}
(( segid " A" and resid 36 and name HA ))
(( segid " A" and resid 73 and name HN ))
3.252 1.322 1.322 peak 1713 weight 1.00000E+00 volume 2.25065E+07 ppm1 9.385 ppm2 5.509
ASSI { 841}
(( segid " A" and resid 36 and name HA ))
(( segid " A" and resid 74 and name HA ))
2.641 0.872 0.872 peak 841 weight 1.00000E+00 volume 1.64908E+06 ppm1 5.528 ppm2 4.597
ASSI { 3753}
(( segid " A" and resid 36 and name HA ))
( segid " A" and resid 74 and name HB# )
2.821 0.995 0.995 peak 3753 weight 1.00000E+00 volume 1.11000E+06 ppm1 1.436 ppm2 5.524
ASSI { 2584}
(( segid " A" and resid 36 and name HA ))
(( segid " A" and resid 75 and name HN ))
2.408 0.725 0.725 peak 2584 weight 1.00000E+00 volume 1.36600E+08 ppm1 7.929 ppm2 5.518
ASSI { 3594}
(( segid " A" and resid 36 and name HB1 ))
(( segid " A" and resid 119 and name HG2 ))
2.629 0.864 0.864 peak 3594 weight 1.00000E+00 volume 1.69600E+06 ppm1 3.026 ppm2 2.041
OR { 3594}
(( segid " A" and resid 107 and name HB1 ))
( segid " A" and resid 107 and name HE# )
ASSI { 1434}
(( segid " A" and resid 36 and name HN ))
(( segid " A" and resid 120 and name HA ))
3.157 1.246 1.246 peak 1434 weight 1.00000E+00 volume 2.68967E+07 ppm1 8.480 ppm2 4.880
ASSI { 2876}
(( segid " A" and resid 36 and name HB2 ))
(( segid " A" and resid 120 and name HD22))
3.504 1.535 1.535 peak 2876 weight 1.00000E+00 volume 1.43863E+07 ppm1 7.060 ppm2 2.381
ASSI { 1089}
(( segid " A" and resid 36 and name HN ))
(( segid " A" and resid 121 and name HA2 ))
2.544 0.809 0.809 peak 1089 weight 1.00000E+00 volume 9.82102E+07 ppm1 8.480 ppm2 3.540
ASSI { 2704}
(( segid " A" and resid 36 and name HN ))
(( segid " A" and resid 121 and name HA1 ))
2.895 1.048 1.048 peak 2704 weight 1.00000E+00 volume 9.50255E+05 ppm1 5.768 ppm2 8.462
ASSI { 3595}
(( segid " A" and resid 36 and name HB1 ))
(( segid " A" and resid 121 and name HN ))
2.769 0.958 0.958 peak 3595 weight 1.00000E+00 volume 1.24200E+06 ppm1 3.023 ppm2 7.038
ASSI { 40}
(( segid " A" and resid 36 and name HN ))
(( segid " A" and resid 121 and name HN ))
2.501 0.782 0.782 peak 40 weight 1.00000E+00 volume 3.16806E+07 ppm1 7.021 ppm2 8.474
ASSI { 133}
(( segid " A" and resid 36 and name HN ))
(( segid " A" and resid 122 and name HN ))
2.794 0.976 0.976 peak 133 weight 1.00000E+00 volume 5.44653E+07 ppm1 8.870 ppm2 8.469
ASSI { 86}
(( segid " A" and resid 37 and name HN ))
(( segid " A" and resid 36 and name HN ))
3.114 1.212 1.212 peak 86 weight 1.00000E+00 volume 2.92061E+07 ppm1 9.583 ppm2 8.457
ASSI { 865}
( segid " A" and resid 37 and name HG2#)
(( segid " A" and resid 37 and name HA ))
2.239 0.626 0.626 peak 865 weight 1.00000E+00 volume 2.50162E+06 ppm1 5.320 ppm2 1.034
ASSI { 1096}
(( segid " A" and resid 37 and name HN ))
(( segid " A" and resid 37 and name HB ))
2.635 0.868 0.868 peak 1096 weight 1.00000E+00 volume 7.95279E+07 ppm1 9.584 ppm2 3.910
ASSI { 870}
( segid " A" and resid 37 and name HG2#)
(( segid " A" and resid 37 and name HB ))
2.143 0.574 0.574 peak 870 weight 1.00000E+00 volume 1.96594E+06 ppm1 3.917 ppm2 1.032
ASSI { 4278}
(( segid " A" and resid 37 and name HB ))
(( segid " A" and resid 37 and name HG1 ))
2.843 1.010 1.010 peak 4278 weight 1.00000E+00 volume 1.06057E+06 ppm1 3.929 ppm2 6.087
ASSI { 1094}
( segid " A" and resid 37 and name HG2#)
(( segid " A" and resid 37 and name HN ))
2.746 0.943 0.943 peak 1094 weight 1.00000E+00 volume 6.21351E+07 ppm1 9.584 ppm2 1.010
ASSI { 1095}
(( segid " A" and resid 37 and name HN ))
(( segid " A" and resid 37 and name HA ))
2.941 1.081 1.081 peak 1095 weight 1.00000E+00 volume 4.11727E+07 ppm1 9.584 ppm2 5.288
ASSI { 2913}
(( segid " A" and resid 37 and name HN ))
(( segid " A" and resid 37 and name HG1 ))
2.786 0.970 0.970 peak 2913 weight 1.00000E+00 volume 5.70280E+07 ppm1 9.587 ppm2 6.109
ASSI { 1016}
(( segid " A" and resid 37 and name HA ))
(( segid " A" and resid 38 and name HN ))
2.319 0.672 0.672 peak 1016 weight 1.00000E+00 volume 1.71246E+08 ppm1 8.922 ppm2 5.290
ASSI { 2906}
( segid " A" and resid 37 and name HG2#)
(( segid " A" and resid 38 and name HN ))
2.466 0.760 0.760 peak 2906 weight 1.00000E+00 volume 1.18488E+08 ppm1 8.922 ppm2 0.995
ASSI { 2434}
(( segid " A" and resid 37 and name HN ))
( segid " A" and resid 72 and name HG1#)
2.470 0.763 0.763 peak 2434 weight 1.00000E+00 volume 1.17200E+08 ppm1 9.585 ppm2 0.856
ASSI { 1617}
(( segid " A" and resid 37 and name HB ))
( segid " A" and resid 73 and name HG2#)
2.323 0.675 0.675 peak 1617 weight 1.00000E+00 volume 3.56197E+06 ppm1 1.158 ppm2 3.947
ASSI { 3599}
(( segid " A" and resid 37 and name HB ))
( segid " A" and resid 73 and name HG1#)
2.530 0.800 0.800 peak 3599 weight 1.00000E+00 volume 2.13300E+06 ppm1 3.932 ppm2 0.879
ASSI { 2430}
(( segid " A" and resid 37 and name HN ))
(( segid " A" and resid 73 and name HA ))
3.443 1.482 1.482 peak 2430 weight 1.00000E+00 volume 1.60000E+07 ppm1 9.586 ppm2 4.398
ASSI { 2432}
(( segid " A" and resid 37 and name HN ))
( segid " A" and resid 73 and name HG2#)
3.052 1.164 1.164 peak 2432 weight 1.00000E+00 volume 3.29800E+07 ppm1 9.587 ppm2 1.138
ASSI { 83}
(( segid " A" and resid 37 and name HN ))
(( segid " A" and resid 73 and name HN ))
2.686 0.902 0.902 peak 83 weight 1.00000E+00 volume 6.22056E+07 ppm1 9.585 ppm2 9.381
ASSI { 2573}
(( segid " A" and resid 37 and name HB ))
(( segid " A" and resid 73 and name HN ))
2.847 1.013 1.013 peak 2573 weight 1.00000E+00 volume 5.00500E+07 ppm1 9.381 ppm2 3.908
ASSI { 2433}
(( segid " A" and resid 37 and name HN ))
( segid " A" and resid 74 and name HB# )
3.527 1.555 1.555 peak 2433 weight 1.00000E+00 volume 1.38300E+07 ppm1 9.580 ppm2 1.408
ASSI { 3609}
( segid " A" and resid 37 and name HG2#)
(( segid " A" and resid 77 and name HN ))
2.404 0.722 0.722 peak 3609 weight 1.00000E+00 volume 2.90100E+06 ppm1 1.032 ppm2 8.460
ASSI { 4280}
( segid " A" and resid 37 and name HG2#)
( segid " A" and resid 77 and name HD# )
2.297 0.660 0.660 peak 4280 weight 1.00000E+00 volume 3.80984E+06 ppm1 1.032 ppm2 6.852
ASSI { 1771}
( segid " A" and resid 37 and name HG2#)
( segid " A" and resid 82 and name HD1#)
2.505 0.784 0.784 peak 1771 weight 1.00000E+00 volume 2.26486E+06 ppm1 0.603 ppm2 1.010
ASSI { 2124}
(( segid " A" and resid 37 and name HA ))
(( segid " A" and resid 122 and name HN ))
2.177 0.592 0.592 peak 2124 weight 1.00000E+00 volume 1.13357E+08 ppm1 8.871 ppm2 5.294
ASSI { 3602}
( segid " A" and resid 37 and name HG2#)
( segid " A" and resid 122 and name HG2#)
2.290 0.656 0.656 peak 3602 weight 1.00000E+00 volume 3.88100E+06 ppm1 1.032 ppm2 0.376
ASSI { 3604}
( segid " A" and resid 37 and name HG2#)
(( segid " A" and resid 122 and name HB ))
2.248 0.632 0.632 peak 3604 weight 1.00000E+00 volume 4.34000E+06 ppm1 1.036 ppm2 1.653
ASSI { 87}
(( segid " A" and resid 37 and name HN ))
(( segid " A" and resid 122 and name HN ))
3.416 1.459 1.459 peak 87 weight 1.00000E+00 volume 1.67630E+07 ppm1 9.582 ppm2 8.875
ASSI { 2806}
(( segid " A" and resid 37 and name HB ))
(( segid " A" and resid 122 and name HN ))
3.323 1.380 1.380 peak 2806 weight 1.00000E+00 volume 1.98000E+07 ppm1 8.876 ppm2 3.913
ASSI { 4140}
(( segid " A" and resid 38 and name HB ))
( segid " A" and resid 38 and name HG2#)
2.193 0.601 0.601 peak 4140 weight 1.00000E+00 volume 5.03405E+06 ppm1 1.835 ppm2 0.881
ASSI { 4141}
(( segid " A" and resid 38 and name HB ))
( segid " A" and resid 38 and name HG1#)
2.201 0.606 0.606 peak 4141 weight 1.00000E+00 volume 4.92172E+06 ppm1 1.834 ppm2 0.739
ASSI { 2311}
(( segid " A" and resid 38 and name HB ))
(( segid " A" and resid 38 and name HN ))
2.573 0.828 0.828 peak 2311 weight 1.00000E+00 volume 9.18100E+07 ppm1 8.922 ppm2 1.813
ASSI { 2309}
(( segid " A" and resid 38 and name HN ))
(( segid " A" and resid 38 and name HA ))
3.034 1.151 1.151 peak 2309 weight 1.00000E+00 volume 3.41600E+07 ppm1 8.920 ppm2 4.801
ASSI { 2907}
( segid " A" and resid 38 and name HG2#)
(( segid " A" and resid 38 and name HN ))
2.490 0.775 0.775 peak 2907 weight 1.00000E+00 volume 1.11720E+08 ppm1 8.922 ppm2 0.889
ASSI { 1013}
(( segid " A" and resid 38 and name HN ))
(( segid " A" and resid 39 and name HN ))
3.173 1.259 1.259 peak 1013 weight 1.00000E+00 volume 2.60986E+07 ppm1 8.921 ppm2 9.211
ASSI { 904}
(( segid " A" and resid 39 and name HA ))
(( segid " A" and resid 39 and name HB1 ))
2.822 0.995 0.995 peak 904 weight 1.00000E+00 volume 1.10865E+06 ppm1 3.250 ppm2 5.487
ASSI { 905}
(( segid " A" and resid 39 and name HA ))
(( segid " A" and resid 39 and name HB2 ))
2.418 0.731 0.731 peak 905 weight 1.00000E+00 volume 1.47735E+06 ppm1 3.064 ppm2 5.492
ASSI { 906}
(( segid " A" and resid 39 and name HB1 ))
(( segid " A" and resid 39 and name HB2 ))
2.273 0.646 0.646 peak 906 weight 1.00000E+00 volume 4.05440E+06 ppm1 3.254 ppm2 3.071
ASSI { 3611}
(( segid " A" and resid 39 and name HB1 ))
( segid " A" and resid 39 and name HD# )
2.532 0.801 0.801 peak 3611 weight 1.00000E+00 volume 2.12400E+06 ppm1 3.258 ppm2 7.089
ASSI { 4301}
(( segid " A" and resid 39 and name HB2 ))
( segid " A" and resid 39 and name HD# )
2.691 0.905 0.905 peak 4301 weight 1.00000E+00 volume 1.47553E+06 ppm1 3.063 ppm2 7.084
ASSI { 661}
(( segid " A" and resid 39 and name HA ))
(( segid " A" and resid 39 and name HN ))
2.951 1.089 1.089 peak 661 weight 1.00000E+00 volume 4.02981E+07 ppm1 9.226 ppm2 5.467
ASSI { 2437}
(( segid " A" and resid 39 and name HB1 ))
(( segid " A" and resid 39 and name HN ))
2.546 0.811 0.811 peak 2437 weight 1.00000E+00 volume 9.77200E+07 ppm1 9.227 ppm2 3.236
ASSI { 2438}
(( segid " A" and resid 39 and name HB2 ))
(( segid " A" and resid 39 and name HN ))
2.788 0.971 0.971 peak 2438 weight 1.00000E+00 volume 5.67800E+07 ppm1 9.227 ppm2 3.038
ASSI { 2917}
( segid " A" and resid 39 and name HD# )
(( segid " A" and resid 39 and name HN ))
2.703 0.913 0.913 peak 2917 weight 1.00000E+00 volume 6.83558E+07 ppm1 9.227 ppm2 7.067
ASSI { 481}
(( segid " A" and resid 39 and name HA ))
(( segid " A" and resid 40 and name HN ))
2.284 0.652 0.652 peak 481 weight 1.00000E+00 volume 1.87669E+08 ppm1 8.835 ppm2 5.473
ASSI { 899}
(( segid " A" and resid 39 and name HA ))
(( segid " A" and resid 124 and name HB1 ))
2.418 0.731 0.731 peak 899 weight 1.00000E+00 volume 2.80209E+06 ppm1 5.506 ppm2 3.044
ASSI { 912}
(( segid " A" and resid 39 and name HB2 ))
( segid " A" and resid 126 and name HD1#)
2.396 0.717 0.717 peak 912 weight 1.00000E+00 volume 2.01563E+06 ppm1 3.067 ppm2 1.151
ASSI { 4058}
(( segid " A" and resid 39 and name HB1 ))
( segid " A" and resid 126 and name HD1#)
2.377 0.707 0.707 peak 4058 weight 1.00000E+00 volume 3.10000E+06 ppm1 1.141 ppm2 3.250
ASSI { 175}
(( segid " A" and resid 40 and name HN ))
(( segid " A" and resid 39 and name HN ))
3.359 1.411 1.411 peak 175 weight 1.00000E+00 volume 1.85309E+07 ppm1 8.839 ppm2 9.210
ASSI { 2444}
(( segid " A" and resid 40 and name HN ))
(( segid " A" and resid 39 and name HB1 ))
3.225 1.300 1.300 peak 2444 weight 1.00000E+00 volume 2.36600E+07 ppm1 8.838 ppm2 3.239
ASSI { 1023}
(( segid " A" and resid 40 and name HN ))
( segid " A" and resid 40 and name HB# )
2.260 0.639 0.639 peak 1023 weight 1.00000E+00 volume 1.55884E+08 ppm1 8.837 ppm2 1.018
ASSI { 1022}
(( segid " A" and resid 40 and name HN ))
(( segid " A" and resid 40 and name HA ))
2.743 0.941 0.941 peak 1022 weight 1.00000E+00 volume 6.24840E+07 ppm1 8.837 ppm2 4.606
ASSI { 1467}
(( segid " A" and resid 40 and name HN ))
(( segid " A" and resid 124 and name HB1 ))
2.871 1.030 1.030 peak 1467 weight 1.00000E+00 volume 4.75531E+07 ppm1 8.837 ppm2 3.013
ASSI { 2443}
(( segid " A" and resid 40 and name HN ))
(( segid " A" and resid 125 and name HA ))
2.755 0.949 0.949 peak 2443 weight 1.00000E+00 volume 6.09000E+07 ppm1 8.840 ppm2 4.814
ASSI { 4064}
(( segid " A" and resid 40 and name HN ))
( segid " A" and resid 126 and name HD1#)
2.701 0.912 0.912 peak 4064 weight 1.00000E+00 volume 1.44100E+06 ppm1 1.142 ppm2 8.806
ASSI { 1470}
(( segid " A" and resid 40 and name HN ))
( segid " A" and resid 126 and name HG2#)
2.674 0.894 0.894 peak 1470 weight 1.00000E+00 volume 6.97325E+07 ppm1 8.836 ppm2 0.900
ASSI { 168}
(( segid " A" and resid 40 and name HN ))
(( segid " A" and resid 126 and name HN ))
2.899 1.050 1.050 peak 168 weight 1.00000E+00 volume 4.30315E+07 ppm1 8.839 ppm2 8.617
ASSI { 2822}
( segid " A" and resid 40 and name HB# )
(( segid " A" and resid 126 and name HN ))
2.773 0.962 0.962 peak 2822 weight 1.00000E+00 volume 5.85300E+07 ppm1 8.606 ppm2 1.023
ASSI { 4292}
(( segid " A" and resid 42 and name HN ))
( segid " A" and resid 41 and name HB# )
2.719 0.924 0.924 peak 4292 weight 1.00000E+00 volume 1.38432E+06 ppm1 1.583 ppm2 7.061
ASSI { 482}
(( segid " A" and resid 42 and name HN ))
(( segid " A" and resid 41 and name HA ))
2.287 0.654 0.654 peak 482 weight 1.00000E+00 volume 1.86182E+08 ppm1 7.058 ppm2 5.011
ASSI { 2452}
(( segid " A" and resid 42 and name HN ))
(( segid " A" and resid 41 and name HB2 ))
2.662 0.886 0.886 peak 2452 weight 1.00000E+00 volume 7.47800E+07 ppm1 7.057 ppm2 1.555
ASSI { 921}
(( segid " A" and resid 42 and name HB1 ))
(( segid " A" and resid 42 and name HA ))
2.945 1.084 1.084 peak 921 weight 1.00000E+00 volume 8.58516E+05 ppm1 2.494 ppm2 4.700
ASSI { 910}
(( segid " A" and resid 42 and name HB2 ))
(( segid " A" and resid 42 and name HB1 ))
2.499 0.781 0.781 peak 910 weight 1.00000E+00 volume 1.65213E+06 ppm1 3.248 ppm2 2.501
ASSI { 1100}
(( segid " A" and resid 42 and name HB2 ))
(( segid " A" and resid 42 and name HN ))
3.069 1.177 1.177 peak 1100 weight 1.00000E+00 volume 3.18886E+07 ppm1 7.061 ppm2 3.267
ASSI { 1102}
(( segid " A" and resid 42 and name HA ))
(( segid " A" and resid 42 and name HN ))
3.065 1.174 1.174 peak 1102 weight 1.00000E+00 volume 3.21180E+07 ppm1 7.059 ppm2 4.722
ASSI { 1487}
(( segid " A" and resid 42 and name HD21))
(( segid " A" and resid 42 and name HD22))
2.160 0.583 0.583 peak 1487 weight 1.00000E+00 volume 2.61945E+08 ppm1 6.836 ppm2 7.449
ASSI { 1489}
(( segid " A" and resid 42 and name HB2 ))
(( segid " A" and resid 42 and name HD22))
2.874 1.033 1.033 peak 1489 weight 1.00000E+00 volume 4.72456E+07 ppm1 7.454 ppm2 3.273
ASSI { 1490}
(( segid " A" and resid 42 and name HB2 ))
(( segid " A" and resid 42 and name HD21))
2.923 1.068 1.068 peak 1490 weight 1.00000E+00 volume 4.26682E+07 ppm1 6.838 ppm2 3.271
ASSI { 1500}
(( segid " A" and resid 42 and name HN ))
(( segid " A" and resid 42 and name HD21))
3.387 1.434 1.434 peak 1500 weight 1.00000E+00 volume 1.76303E+07 ppm1 6.832 ppm2 7.071
ASSI { 2449}
(( segid " A" and resid 42 and name HN ))
(( segid " A" and resid 42 and name HD22))
3.423 1.465 1.465 peak 2449 weight 1.00000E+00 volume 1.65600E+07 ppm1 7.059 ppm2 7.431
ASSI { 2451}
(( segid " A" and resid 42 and name HB1 ))
(( segid " A" and resid 42 and name HN ))
2.795 0.976 0.976 peak 2451 weight 1.00000E+00 volume 5.58800E+07 ppm1 7.060 ppm2 2.476
ASSI { 2457}
(( segid " A" and resid 42 and name HA ))
(( segid " A" and resid 42 and name HD22))
3.229 1.303 1.303 peak 2457 weight 1.00000E+00 volume 2.35100E+07 ppm1 7.456 ppm2 4.750
ASSI { 2459}
(( segid " A" and resid 42 and name HB1 ))
(( segid " A" and resid 42 and name HD22))
2.788 0.971 0.971 peak 2459 weight 1.00000E+00 volume 5.67600E+07 ppm1 7.454 ppm2 2.477
ASSI { 2858}
(( segid " A" and resid 42 and name HB1 ))
(( segid " A" and resid 42 and name HD21))
2.834 1.004 1.004 peak 2858 weight 1.00000E+00 volume 5.14631E+07 ppm1 6.838 ppm2 2.471
ASSI { 377}
(( segid " A" and resid 42 and name HN ))
(( segid " A" and resid 43 and name HN ))
3.510 1.540 1.540 peak 377 weight 1.00000E+00 volume 1.42331E+07 ppm1 7.060 ppm2 8.861
ASSI { 1103}
(( segid " A" and resid 42 and name HA ))
(( segid " A" and resid 43 and name HN ))
2.671 0.892 0.892 peak 1103 weight 1.00000E+00 volume 7.33649E+07 ppm1 8.876 ppm2 4.738
ASSI { 2465}
(( segid " A" and resid 42 and name HB2 ))
(( segid " A" and resid 43 and name HN ))
2.657 0.882 0.882 peak 2465 weight 1.00000E+00 volume 7.57210E+07 ppm1 8.878 ppm2 3.278
ASSI { 1511}
(( segid " A" and resid 42 and name HB2 ))
(( segid " A" and resid 44 and name HN ))
2.986 1.114 1.114 peak 1511 weight 1.00000E+00 volume 3.75893E+07 ppm1 8.030 ppm2 3.284
ASSI { 2234}
(( segid " A" and resid 42 and name HN ))
(( segid " A" and resid 44 and name HN ))
3.409 1.452 1.452 peak 2234 weight 1.00000E+00 volume 1.69760E+07 ppm1 8.030 ppm2 7.066
ASSI { 212}
(( segid " A" and resid 42 and name HN ))
(( segid " A" and resid 45 and name HN ))
3.041 1.156 1.156 peak 212 weight 1.00000E+00 volume 2.59656E+07 ppm1 7.058 ppm2 8.070
ASSI { 2471}
(( segid " A" and resid 42 and name HB2 ))
(( segid " A" and resid 45 and name HN ))
3.432 1.472 1.472 peak 2471 weight 1.00000E+00 volume 1.63100E+07 ppm1 8.077 ppm2 3.263
ASSI { 3966}
(( segid " A" and resid 42 and name HB2 ))
( segid " A" and resid 112 and name HD1#)
2.197 0.604 0.604 peak 3966 weight 1.00000E+00 volume 4.97300E+06 ppm1 0.859 ppm2 3.236
ASSI { 4040}
(( segid " A" and resid 42 and name HB1 ))
( segid " A" and resid 125 and name HG2#)
2.689 0.904 0.904 peak 4040 weight 1.00000E+00 volume 1.48200E+06 ppm1 1.386 ppm2 2.489
ASSI { 213}
(( segid " A" and resid 42 and name HN ))
(( segid " A" and resid 126 and name HN ))
2.905 1.055 1.055 peak 213 weight 1.00000E+00 volume 2.40878E+07 ppm1 7.061 ppm2 8.606
ASSI { 2563}
(( segid " A" and resid 42 and name HN ))
(( segid " A" and resid 128 and name HN ))
3.039 1.155 1.155 peak 2563 weight 1.00000E+00 volume 3.37900E+07 ppm1 7.342 ppm2 7.058
ASSI { 665}
(( segid " A" and resid 43 and name HA ))
(( segid " A" and resid 43 and name HN ))
2.735 0.935 0.935 peak 665 weight 1.00000E+00 volume 6.36959E+07 ppm1 8.873 ppm2 4.664
ASSI { 666}
(( segid " A" and resid 43 and name HN ))
(( segid " A" and resid 43 and name HB1 ))
2.727 0.929 0.929 peak 666 weight 1.00000E+00 volume 6.48263E+07 ppm1 8.874 ppm2 2.657
ASSI { 1105}
(( segid " A" and resid 43 and name HN ))
(( segid " A" and resid 43 and name HB2 ))
2.476 0.766 0.766 peak 1105 weight 1.00000E+00 volume 1.15598E+08 ppm1 8.878 ppm2 2.488
ASSI { 2467}
(( segid " A" and resid 43 and name HA ))
(( segid " A" and resid 44 and name HN ))
2.731 0.932 0.932 peak 2467 weight 1.00000E+00 volume 6.42500E+07 ppm1 8.029 ppm2 4.632
ASSI { 131}
(( segid " A" and resid 43 and name HN ))
(( segid " A" and resid 44 and name HN ))
2.642 0.872 0.872 peak 131 weight 1.00000E+00 volume 4.49855E+07 ppm1 8.877 ppm2 8.033
ASSI { 1507}
(( segid " A" and resid 44 and name HN ))
(( segid " A" and resid 42 and name HD21))
3.070 1.178 1.178 peak 1507 weight 1.00000E+00 volume 3.18080E+07 ppm1 8.027 ppm2 6.834
ASSI { 2458}
(( segid " A" and resid 44 and name HB2 ))
(( segid " A" and resid 42 and name HD22))
3.147 1.238 1.238 peak 2458 weight 1.00000E+00 volume 2.74300E+07 ppm1 7.451 ppm2 2.667
ASSI { 2460}
(( segid " A" and resid 44 and name HB2 ))
(( segid " A" and resid 42 and name HD21))
3.101 1.202 1.202 peak 2460 weight 1.00000E+00 volume 2.99500E+07 ppm1 6.846 ppm2 2.655
ASSI { 2846}
(( segid " A" and resid 44 and name HN ))
(( segid " A" and resid 43 and name HB2 ))
2.456 0.754 0.754 peak 2846 weight 1.00000E+00 volume 1.21300E+08 ppm1 8.028 ppm2 2.530
ASSI { 196}
(( segid " A" and resid 44 and name HB1 ))
(( segid " A" and resid 44 and name HA ))
2.069 0.535 0.535 peak 196 weight 1.00000E+00 volume 3.89807E+06 ppm1 2.695 ppm2 4.386
ASSI { 3438}
(( segid " A" and resid 44 and name HB2 ))
(( segid " A" and resid 44 and name HA ))
2.288 0.655 0.655 peak 3438 weight 1.00000E+00 volume 3.89800E+06 ppm1 2.695 ppm2 4.386
ASSI { 662}
(( segid " A" and resid 44 and name HB1 ))
(( segid " A" and resid 44 and name HN ))
2.065 0.533 0.533 peak 662 weight 1.00000E+00 volume 3.43990E+08 ppm1 8.028 ppm2 2.676
ASSI { 667}
(( segid " A" and resid 44 and name HA ))
(( segid " A" and resid 44 and name HN ))
2.282 0.651 0.651 peak 667 weight 1.00000E+00 volume 1.88837E+08 ppm1 8.027 ppm2 4.372
ASSI { 1108}
(( segid " A" and resid 44 and name HB2 ))
(( segid " A" and resid 44 and name HN ))
2.085 0.543 0.543 peak 1108 weight 1.00000E+00 volume 3.24596E+08 ppm1 8.029 ppm2 2.618
ASSI { 2238}
( segid " A" and resid 44 and name HB# )
(( segid " A" and resid 44 and name HN ))
2.233 0.623 0.623 peak 2238 weight 1.00000E+00 volume 2.14656E+08 ppm1 8.029 ppm2 2.656
ASSI { 485}
(( segid " A" and resid 44 and name HA ))
(( segid " A" and resid 45 and name HN ))
2.753 0.947 0.947 peak 485 weight 1.00000E+00 volume 6.11763E+07 ppm1 8.080 ppm2 4.377
ASSI { 1109}
(( segid " A" and resid 44 and name HB2 ))
(( segid " A" and resid 45 and name HN ))
2.485 0.772 0.772 peak 1109 weight 1.00000E+00 volume 1.13116E+08 ppm1 8.079 ppm2 2.622
ASSI { 1110}
(( segid " A" and resid 44 and name HA ))
(( segid " A" and resid 46 and name HN ))
3.144 1.236 1.236 peak 1110 weight 1.00000E+00 volume 2.75710E+07 ppm1 7.923 ppm2 4.393
ASSI { 3618}
(( segid " A" and resid 44 and name HA ))
( segid " A" and resid 47 and name HB# )
1.895 0.449 0.449 peak 3618 weight 1.00000E+00 volume 1.20800E+07 ppm1 4.392 ppm2 1.586
ASSI { 3619}
( segid " A" and resid 45 and name HB# )
(( segid " A" and resid 41 and name HB2 ))
2.033 0.516 0.516 peak 3619 weight 1.00000E+00 volume 7.93600E+06 ppm1 1.349 ppm2 1.563
ASSI { 3626}
( segid " A" and resid 45 and name HB# )
(( segid " A" and resid 41 and name HA ))
2.591 0.839 0.839 peak 3626 weight 1.00000E+00 volume 1.85000E+06 ppm1 1.348 ppm2 5.039
ASSI { 2453}
( segid " A" and resid 45 and name HB# )
(( segid " A" and resid 42 and name HN ))
2.322 0.674 0.674 peak 2453 weight 1.00000E+00 volume 1.69800E+08 ppm1 7.058 ppm2 1.338
ASSI { 2450}
(( segid " A" and resid 45 and name HA ))
(( segid " A" and resid 42 and name HN ))
3.636 1.652 1.652 peak 2450 weight 1.00000E+00 volume 1.15300E+07 ppm1 7.053 ppm2 4.035
ASSI { 2461}
( segid " A" and resid 45 and name HB# )
(( segid " A" and resid 42 and name HD22))
2.858 1.021 1.021 peak 2461 weight 1.00000E+00 volume 4.89000E+07 ppm1 7.454 ppm2 1.347
ASSI { 2462}
( segid " A" and resid 45 and name HB# )
(( segid " A" and resid 42 and name HD21))
2.885 1.040 1.040 peak 2462 weight 1.00000E+00 volume 4.62000E+07 ppm1 6.838 ppm2 1.346
ASSI { 2287}
(( segid " A" and resid 45 and name HN ))
(( segid " A" and resid 43 and name HN ))
3.242 1.314 1.314 peak 2287 weight 1.00000E+00 volume 2.29400E+07 ppm1 8.076 ppm2 8.867
ASSI { 2470}
(( segid " A" and resid 45 and name HN ))
(( segid " A" and resid 43 and name HA ))
3.076 1.182 1.182 peak 2470 weight 1.00000E+00 volume 3.14700E+07 ppm1 8.082 ppm2 4.626
ASSI { 671}
( segid " A" and resid 45 and name HB# )
(( segid " A" and resid 44 and name HN ))
2.809 0.987 0.987 peak 671 weight 1.00000E+00 volume 5.41805E+07 ppm1 8.029 ppm2 1.340
ASSI { 671}
(( segid " A" and resid 45 and name HA ))
( segid " A" and resid 45 and name HB# )
1.921 0.461 0.461 peak 671 weight 1.00000E+00 volume 1.11294E+07 ppm1 4.051 ppm2 1.344
ASSI { 668}
(( segid " A" and resid 45 and name HA ))
(( segid " A" and resid 45 and name HN ))
2.429 0.738 0.738 peak 668 weight 1.00000E+00 volume 1.29618E+08 ppm1 8.078 ppm2 4.043
ASSI { 669}
( segid " A" and resid 45 and name HB# )
(( segid " A" and resid 45 and name HN ))
2.124 0.564 0.564 peak 669 weight 1.00000E+00 volume 2.90013E+08 ppm1 8.079 ppm2 1.336
ASSI { 487}
( segid " A" and resid 45 and name HB# )
(( segid " A" and resid 46 and name HN ))
2.345 0.687 0.687 peak 487 weight 1.00000E+00 volume 1.60172E+08 ppm1 7.924 ppm2 1.337
ASSI { 688}
(( segid " A" and resid 45 and name HN ))
(( segid " A" and resid 46 and name HB1 ))
3.188 1.271 1.271 peak 688 weight 1.00000E+00 volume 2.53679E+07 ppm1 8.078 ppm2 2.957
ASSI { 689}
(( segid " A" and resid 45 and name HN ))
(( segid " A" and resid 46 and name HB2 ))
3.238 1.310 1.310 peak 689 weight 1.00000E+00 volume 2.31280E+07 ppm1 8.077 ppm2 3.093
ASSI { 198}
(( segid " A" and resid 45 and name HN ))
(( segid " A" and resid 46 and name HN ))
2.207 0.609 0.609 peak 198 weight 1.00000E+00 volume 2.30477E+08 ppm1 7.925 ppm2 8.086
ASSI { 2482}
( segid " A" and resid 45 and name HB# )
(( segid " A" and resid 47 and name HN ))
2.927 1.071 1.071 peak 2482 weight 1.00000E+00 volume 4.23400E+07 ppm1 8.111 ppm2 1.338
ASSI { 672}
(( segid " A" and resid 45 and name HA ))
(( segid " A" and resid 48 and name HG2 ))
2.362 0.698 0.698 peak 672 weight 1.00000E+00 volume 3.22097E+06 ppm1 4.054 ppm2 1.867
ASSI { 3620}
( segid " A" and resid 45 and name HB# )
(( segid " A" and resid 48 and name HG2 ))
2.548 0.812 0.812 peak 3620 weight 1.00000E+00 volume 2.04600E+06 ppm1 1.351 ppm2 1.856
ASSI { 3635}
(( segid " A" and resid 45 and name HA ))
(( segid " A" and resid 48 and name HB2 ))
2.651 0.878 0.878 peak 3635 weight 1.00000E+00 volume 1.61300E+06 ppm1 2.004 ppm2 4.030
ASSI { 1111}
(( segid " A" and resid 45 and name HA ))
(( segid " A" and resid 48 and name HN ))
3.204 1.284 1.284 peak 1111 weight 1.00000E+00 volume 2.46052E+07 ppm1 7.209 ppm2 4.059
ASSI { 3625}
( segid " A" and resid 45 and name HB# )
(( segid " A" and resid 127 and name HA ))
2.316 0.671 0.671 peak 3625 weight 1.00000E+00 volume 3.62600E+06 ppm1 1.351 ppm2 4.561
ASSI { 676}
(( segid " A" and resid 45 and name HA ))
(( segid " A" and resid 128 and name HA ))
2.423 0.734 0.734 peak 676 weight 1.00000E+00 volume 2.76528E+06 ppm1 4.052 ppm2 4.438
ASSI { 3624}
( segid " A" and resid 45 and name HB# )
(( segid " A" and resid 128 and name HA ))
2.341 0.685 0.685 peak 3624 weight 1.00000E+00 volume 3.40400E+06 ppm1 1.349 ppm2 4.468
ASSI { 1699}
(( segid " A" and resid 45 and name HA ))
(( segid " A" and resid 128 and name HN ))
3.217 1.294 1.294 peak 1699 weight 1.00000E+00 volume 2.40303E+07 ppm1 7.342 ppm2 4.050
ASSI { 2831}
(( segid " A" and resid 45 and name HA ))
(( segid " A" and resid 129 and name HN ))
3.160 1.248 1.248 peak 2831 weight 1.00000E+00 volume 2.67600E+07 ppm1 8.821 ppm2 4.048
ASSI { 2834}
( segid " A" and resid 45 and name HB# )
(( segid " A" and resid 129 and name HN ))
2.594 0.841 0.841 peak 2834 weight 1.00000E+00 volume 8.74200E+07 ppm1 8.822 ppm2 1.337
ASSI { 692}
(( segid " A" and resid 46 and name HN ))
(( segid " A" and resid 41 and name HB2 ))
2.718 0.924 0.924 peak 692 weight 1.00000E+00 volume 6.60190E+07 ppm1 7.924 ppm2 1.564
ASSI { 3630}
(( segid " A" and resid 46 and name HB2 ))
(( segid " A" and resid 43 and name HA ))
2.475 0.766 0.766 peak 3630 weight 1.00000E+00 volume 2.43700E+06 ppm1 3.147 ppm2 4.611
ASSI { 2476}
(( segid " A" and resid 46 and name HN ))
(( segid " A" and resid 43 and name HA ))
2.677 0.896 0.896 peak 2476 weight 1.00000E+00 volume 7.24000E+07 ppm1 7.923 ppm2 4.622
ASSI { 2477}
(( segid " A" and resid 46 and name HN ))
(( segid " A" and resid 43 and name HB1 ))
3.645 1.661 1.661 peak 2477 weight 1.00000E+00 volume 1.13500E+07 ppm1 7.924 ppm2 2.650
ASSI { 969}
(( segid " A" and resid 46 and name HA ))
(( segid " A" and resid 46 and name HB2 ))
2.535 0.803 0.803 peak 969 weight 1.00000E+00 volume 2.10882E+06 ppm1 4.065 ppm2 3.153
ASSI { 970}
(( segid " A" and resid 46 and name HA ))
(( segid " A" and resid 46 and name HB1 ))
2.637 0.869 0.869 peak 970 weight 1.00000E+00 volume 1.66593E+06 ppm1 4.065 ppm2 2.996
ASSI { 983}
(( segid " A" and resid 46 and name HN ))
(( segid " A" and resid 46 and name HB1 ))
2.903 1.054 1.054 peak 983 weight 1.00000E+00 volume 9.34596E+05 ppm1 2.985 ppm2 7.900
ASSI { 685}
(( segid " A" and resid 46 and name HA ))
(( segid " A" and resid 46 and name HN ))
2.407 0.724 0.724 peak 685 weight 1.00000E+00 volume 1.36838E+08 ppm1 7.923 ppm2 4.051
ASSI { 687}
(( segid " A" and resid 46 and name HN ))
(( segid " A" and resid 46 and name HB2 ))
2.481 0.769 0.769 peak 687 weight 1.00000E+00 volume 1.14296E+08 ppm1 7.924 ppm2 3.126
ASSI { 201}
(( segid " A" and resid 46 and name HN ))
(( segid " A" and resid 47 and name HN ))
2.239 0.627 0.627 peak 201 weight 1.00000E+00 volume 2.11341E+08 ppm1 7.926 ppm2 8.098
ASSI { 489}
(( segid " A" and resid 46 and name HB2 ))
(( segid " A" and resid 47 and name HN ))
2.815 0.990 0.990 peak 489 weight 1.00000E+00 volume 5.35693E+07 ppm1 8.111 ppm2 3.113
ASSI { 490}
(( segid " A" and resid 46 and name HB1 ))
(( segid " A" and resid 47 and name HN ))
2.761 0.953 0.953 peak 490 weight 1.00000E+00 volume 6.00716E+07 ppm1 8.111 ppm2 2.957
ASSI { 2901}
(( segid " A" and resid 46 and name HA ))
(( segid " A" and resid 47 and name HN ))
2.435 0.741 0.741 peak 2901 weight 1.00000E+00 volume 1.27818E+08 ppm1 8.096 ppm2 4.032
OR { 2901}
(( segid " A" and resid 29 and name HA ))
(( segid " A" and resid 29 and name HN ))
ASSI { 3641}
(( segid " A" and resid 46 and name HA ))
( segid " A" and resid 49 and name HD1#)
2.420 0.732 0.732 peak 3641 weight 1.00000E+00 volume 2.78500E+06 ppm1 1.023 ppm2 4.046
ASSI { 3667}
(( segid " A" and resid 46 and name HA ))
(( segid " A" and resid 49 and name HG ))
2.419 0.732 0.732 peak 3667 weight 1.00000E+00 volume 2.79300E+06 ppm1 4.064 ppm2 1.963
ASSI { 2478}
(( segid " A" and resid 46 and name HN ))
(( segid " A" and resid 49 and name HG ))
3.278 1.343 1.343 peak 2478 weight 1.00000E+00 volume 2.14800E+07 ppm1 7.923 ppm2 1.917
ASSI { 2484}
(( segid " A" and resid 46 and name HN ))
(( segid " A" and resid 49 and name HN ))
3.739 1.747 1.747 peak 2484 weight 1.00000E+00 volume 9.75400E+06 ppm1 7.380 ppm2 7.920
ASSI { 2486}
(( segid " A" and resid 46 and name HA ))
(( segid " A" and resid 49 and name HN ))
2.875 1.033 1.033 peak 2486 weight 1.00000E+00 volume 4.72000E+07 ppm1 7.381 ppm2 4.035
ASSI { 1530}
(( segid " A" and resid 47 and name HN ))
(( segid " A" and resid 43 and name HB1 ))
3.230 1.304 1.304 peak 1530 weight 1.00000E+00 volume 2.34641E+07 ppm1 8.110 ppm2 2.650
OR { 1530}
( segid " A" and resid 44 and name HB# )
(( segid " A" and resid 47 and name HN ))
ASSI { 2241}
( segid " A" and resid 47 and name HB# )
(( segid " A" and resid 44 and name HN ))
3.064 1.174 1.174 peak 2241 weight 1.00000E+00 volume 3.21657E+07 ppm1 8.028 ppm2 1.565
OR { 2241}
(( segid " A" and resid 48 and name HG1 ))
(( segid " A" and resid 44 and name HN ))
ASSI { 985}
(( segid " A" and resid 47 and name HA ))
( segid " A" and resid 47 and name HB# )
1.710 0.366 0.366 peak 985 weight 1.00000E+00 volume 1.26754E+07 ppm1 4.318 ppm2 1.588
ASSI { 986}
(( segid " A" and resid 47 and name HA ))
(( segid " A" and resid 47 and name HN ))
2.419 0.731 0.731 peak 986 weight 1.00000E+00 volume 2.79359E+06 ppm1 4.318 ppm2 8.113
ASSI { 691}
( segid " A" and resid 47 and name HB# )
(( segid " A" and resid 47 and name HN ))
1.907 0.455 0.455 peak 691 weight 1.00000E+00 volume 3.78898E+08 ppm1 8.112 ppm2 1.567
ASSI { 3633}
( segid " A" and resid 47 and name HB# )
(( segid " A" and resid 48 and name HN ))
2.371 0.703 0.703 peak 3633 weight 1.00000E+00 volume 3.15300E+06 ppm1 1.591 ppm2 7.211
ASSI { 203}
(( segid " A" and resid 47 and name HN ))
(( segid " A" and resid 48 and name HN ))
2.437 0.742 0.742 peak 203 weight 1.00000E+00 volume 1.27125E+08 ppm1 8.113 ppm2 7.214
ASSI { 1535}
(( segid " A" and resid 47 and name HN ))
(( segid " A" and resid 49 and name HN ))
2.805 0.983 0.983 peak 1535 weight 1.00000E+00 volume 2.35270E+07 ppm1 7.376 ppm2 8.098
ASSI { 694}
(( segid " A" and resid 48 and name HA ))
(( segid " A" and resid 48 and name HN ))
2.369 0.702 0.702 peak 694 weight 1.00000E+00 volume 5.75797E+07 ppm1 7.209 ppm2 4.251
ASSI { 1001}
(( segid " A" and resid 48 and name HG1 ))
(( segid " A" and resid 48 and name HB1 ))
2.406 0.724 0.724 peak 1001 weight 1.00000E+00 volume 2.88616E+06 ppm1 2.007 ppm2 1.539
ASSI { 1002}
(( segid " A" and resid 48 and name HG1 ))
(( segid " A" and resid 48 and name HB2 ))
2.388 0.713 0.713 peak 1002 weight 1.00000E+00 volume 3.01556E+06 ppm1 1.931 ppm2 1.548
ASSI { 1003}
(( segid " A" and resid 48 and name HG2 ))
(( segid " A" and resid 48 and name HB1 ))
1.963 0.482 0.482 peak 1003 weight 1.00000E+00 volume 9.78187E+06 ppm1 2.009 ppm2 1.836
ASSI { 1005}
(( segid " A" and resid 48 and name HB1 ))
(( segid " A" and resid 48 and name HB2 ))
1.630 0.332 0.332 peak 1005 weight 1.00000E+00 volume 2.98968E+07 ppm1 2.007 ppm2 1.928
ASSI { 1009}
(( segid " A" and resid 48 and name HA ))
(( segid " A" and resid 48 and name HB1 ))
1.840 0.423 0.423 peak 1009 weight 1.00000E+00 volume 2.48448E+06 ppm1 2.007 ppm2 4.267
ASSI { 1014}
(( segid " A" and resid 48 and name HG1 ))
( segid " A" and resid 48 and name HD# )
2.015 0.508 0.508 peak 1014 weight 1.00000E+00 volume 8.35992E+06 ppm1 1.815 ppm2 1.546
ASSI { 1016}
( segid " A" and resid 48 and name HD# )
( segid " A" and resid 48 and name HE# )
1.981 0.490 0.490 peak 1016 weight 1.00000E+00 volume 6.82327E+06 ppm1 1.816 ppm2 3.071
ASSI { 1028}
(( segid " A" and resid 48 and name HB1 ))
(( segid " A" and resid 48 and name HE1 ))
2.595 0.842 0.842 peak 1028 weight 1.00000E+00 volume 1.83178E+06 ppm1 3.092 ppm2 1.992
ASSI { 1034}
(( segid " A" and resid 48 and name HG2 ))
(( segid " A" and resid 48 and name HG1 ))
1.933 0.467 0.467 peak 1034 weight 1.00000E+00 volume 1.07482E+07 ppm1 1.536 ppm2 1.848
ASSI { 1037}
(( segid " A" and resid 48 and name HG2 ))
( segid " A" and resid 48 and name HE# )
3.039 1.154 1.154 peak 1037 weight 1.00000E+00 volume 7.10869E+05 ppm1 1.850 ppm2 3.108
ASSI { 1038}
(( segid " A" and resid 48 and name HG1 ))
( segid " A" and resid 48 and name HE# )
2.688 0.903 0.903 peak 1038 weight 1.00000E+00 volume 1.48380E+06 ppm1 1.534 ppm2 3.104
ASSI { 1039}
(( segid " A" and resid 48 and name HG2 ))
(( segid " A" and resid 48 and name HA ))
2.894 1.047 1.047 peak 1039 weight 1.00000E+00 volume 9.53330E+05 ppm1 1.853 ppm2 4.261
ASSI { 1040}
(( segid " A" and resid 48 and name HG1 ))
(( segid " A" and resid 48 and name HA ))
2.487 0.773 0.773 peak 1040 weight 1.00000E+00 volume 2.36729E+06 ppm1 1.538 ppm2 4.269
ASSI { 3637}
(( segid " A" and resid 48 and name HA ))
(( segid " A" and resid 48 and name HB2 ))
2.743 0.941 0.941 peak 3637 weight 1.00000E+00 volume 1.31300E+06 ppm1 1.929 ppm2 4.272
ASSI { 695}
(( segid " A" and resid 48 and name HN ))
(( segid " A" and resid 48 and name HB2 ))
2.617 0.856 0.856 peak 695 weight 1.00000E+00 volume 8.29952E+07 ppm1 7.208 ppm2 1.894
ASSI { 696}
(( segid " A" and resid 48 and name HN ))
(( segid " A" and resid 48 and name HB1 ))
2.720 0.925 0.925 peak 696 weight 1.00000E+00 volume 6.58157E+07 ppm1 7.208 ppm2 1.982
ASSI { 206}
(( segid " A" and resid 48 and name HN ))
(( segid " A" and resid 49 and name HN ))
2.412 0.727 0.727 peak 206 weight 1.00000E+00 volume 4.61737E+07 ppm1 7.209 ppm2 7.373
ASSI { 493}
(( segid " A" and resid 48 and name HA ))
(( segid " A" and resid 49 and name HN ))
2.614 0.854 0.854 peak 493 weight 1.00000E+00 volume 8.34034E+07 ppm1 7.379 ppm2 4.269
ASSI { 494}
(( segid " A" and resid 48 and name HB2 ))
(( segid " A" and resid 49 and name HN ))
2.225 0.619 0.619 peak 494 weight 1.00000E+00 volume 2.19733E+08 ppm1 7.380 ppm2 1.919
ASSI { 1540}
( segid " A" and resid 48 and name HE# )
(( segid " A" and resid 49 and name HN ))
3.681 1.694 1.694 peak 1540 weight 1.00000E+00 volume 1.07114E+07 ppm1 7.377 ppm2 3.099
ASSI { 2488}
(( segid " A" and resid 48 and name HG1 ))
(( segid " A" and resid 49 and name HN ))
2.908 1.057 1.057 peak 2488 weight 1.00000E+00 volume 4.40100E+07 ppm1 7.383 ppm2 1.562
ASSI { 4225}
( segid " A" and resid 48 and name HD# )
(( segid " A" and resid 50 and name HD1 ))
3.404 1.448 1.448 peak 4225 weight 1.00000E+00 volume 3.60057E+05 ppm1 3.982 ppm2 1.820
ASSI { 1024}
( segid " A" and resid 48 and name HE# )
( segid " A" and resid 128 and name HG2#)
2.513 0.789 0.789 peak 1024 weight 1.00000E+00 volume 1.67634E+06 ppm1 3.098 ppm2 1.186
ASSI { 4079}
(( segid " A" and resid 48 and name HG2 ))
( segid " A" and resid 128 and name HG2#)
2.355 0.693 0.693 peak 4079 weight 1.00000E+00 volume 3.28000E+06 ppm1 1.196 ppm2 1.868
ASSI { 2832}
(( segid " A" and resid 48 and name HB2 ))
(( segid " A" and resid 129 and name HN ))
3.188 1.270 1.270 peak 2832 weight 1.00000E+00 volume 2.53800E+07 ppm1 8.822 ppm2 1.902
ASSI { 1043}
(( segid " A" and resid 49 and name HB1 ))
(( segid " A" and resid 49 and name HB2 ))
2.489 0.774 0.774 peak 1043 weight 1.00000E+00 volume 2.17362E+06 ppm1 2.063 ppm2 1.335
ASSI { 1045}
(( segid " A" and resid 49 and name HB1 ))
( segid " A" and resid 49 and name HD1#)
2.367 0.700 0.700 peak 1045 weight 1.00000E+00 volume 3.18185E+06 ppm1 2.069 ppm2 0.980
ASSI { 1047}
( segid " A" and resid 49 and name HD2#)
(( segid " A" and resid 49 and name HN ))
2.366 0.700 0.700 peak 1047 weight 1.00000E+00 volume 3.19256E+06 ppm1 0.918 ppm2 7.383
ASSI { 1048}
( segid " A" and resid 49 and name HD2#)
(( segid " A" and resid 49 and name HA ))
2.082 0.542 0.542 peak 1048 weight 1.00000E+00 volume 6.86788E+06 ppm1 0.918 ppm2 4.527
ASSI { 1046}
(( segid " A" and resid 49 and name HB2 ))
( segid " A" and resid 49 and name HD1#)
2.238 0.626 0.626 peak 1046 weight 1.00000E+00 volume 2.09115E+06 ppm1 1.338 ppm2 0.984
ASSI { 1061}
( segid " A" and resid 49 and name HD1#)
(( segid " A" and resid 49 and name HA ))
2.748 0.944 0.944 peak 1061 weight 1.00000E+00 volume 1.29940E+06 ppm1 1.023 ppm2 4.533
ASSI { 1068}
(( segid " A" and resid 49 and name HB2 ))
(( segid " A" and resid 49 and name HG ))
2.371 0.702 0.702 peak 1068 weight 1.00000E+00 volume 3.15468E+06 ppm1 1.941 ppm2 1.345
ASSI { 1077}
(( segid " A" and resid 49 and name HN ))
(( segid " A" and resid 49 and name HG ))
2.695 0.908 0.908 peak 1077 weight 1.00000E+00 volume 1.46270E+06 ppm1 1.935 ppm2 7.382
ASSI { 3644}
( segid " A" and resid 49 and name HD2#)
(( segid " A" and resid 49 and name HG ))
2.085 0.543 0.543 peak 3644 weight 1.00000E+00 volume 6.82200E+06 ppm1 1.934 ppm2 0.956
ASSI { 1059}
( segid " A" and resid 49 and name HD1#)
(( segid " A" and resid 49 and name HG ))
2.119 0.561 0.561 peak 1059 weight 1.00000E+00 volume 6.18327E+06 ppm1 1.023 ppm2 1.958
ASSI { 495}
(( segid " A" and resid 49 and name HB1 ))
(( segid " A" and resid 49 and name HN ))
2.327 0.677 0.677 peak 495 weight 1.00000E+00 volume 1.67939E+08 ppm1 7.380 ppm2 2.036
ASSI { 2485}
(( segid " A" and resid 49 and name HN ))
(( segid " A" and resid 49 and name HA ))
2.618 0.857 0.857 peak 2485 weight 1.00000E+00 volume 8.26600E+07 ppm1 7.379 ppm2 4.501
ASSI { 4222}
(( segid " A" and resid 49 and name HB1 ))
(( segid " A" and resid 50 and name HD2 ))
2.094 0.548 0.548 peak 4222 weight 1.00000E+00 volume 6.64830E+06 ppm1 3.512 ppm2 2.074
OR { 4222}
( segid " A" and resid 97 and name HG# )
(( segid " A" and resid 97 and name HD2 ))
OR { 4222}
(( segid " A" and resid 97 and name HG1 ))
(( segid " A" and resid 97 and name HD1 ))
ASSI { 4223}
(( segid " A" and resid 49 and name HB1 ))
(( segid " A" and resid 50 and name HD1 ))
2.243 0.629 0.629 peak 4223 weight 1.00000E+00 volume 4.39701E+06 ppm1 3.978 ppm2 2.074
ASSI { 4229}
(( segid " A" and resid 49 and name HB2 ))
(( segid " A" and resid 50 and name HD2 ))
2.422 0.733 0.733 peak 4229 weight 1.00000E+00 volume 2.77481E+06 ppm1 3.505 ppm2 1.315
ASSI { 4230}
(( segid " A" and resid 49 and name HB2 ))
(( segid " A" and resid 50 and name HD1 ))
2.934 1.076 1.076 peak 4230 weight 1.00000E+00 volume 8.78241E+05 ppm1 3.980 ppm2 1.309
ASSI { 4088}
( segid " A" and resid 49 and name HD2#)
(( segid " A" and resid 129 and name HB ))
2.363 0.698 0.698 peak 4088 weight 1.00000E+00 volume 3.21600E+06 ppm1 1.773 ppm2 0.950
ASSI { 2447}
( segid " A" and resid 49 and name HD2#)
(( segid " A" and resid 129 and name HN ))
2.694 0.907 0.907 peak 2447 weight 1.00000E+00 volume 6.97300E+07 ppm1 8.836 ppm2 0.900
OR { 2447}
(( segid " A" and resid 40 and name HN ))
( segid " A" and resid 126 and name HG2#)
ASSI { 4219}
(( segid " A" and resid 50 and name HD1 ))
(( segid " A" and resid 50 and name HD2 ))
2.277 0.648 0.648 peak 4219 weight 1.00000E+00 volume 4.01611E+06 ppm1 3.512 ppm2 3.975
ASSI { 1081}
(( segid " A" and resid 52 and name HA1 ))
(( segid " A" and resid 52 and name HA2 ))
2.086 0.544 0.544 peak 1081 weight 1.00000E+00 volume 6.39418E+06 ppm1 4.315 ppm2 3.796
ASSI { 1011}
(( segid " A" and resid 52 and name HA1 ))
(( segid " A" and resid 53 and name HN ))
2.827 0.999 0.999 peak 1011 weight 1.00000E+00 volume 5.21812E+07 ppm1 8.091 ppm2 4.304
ASSI { 1114}
(( segid " A" and resid 52 and name HA2 ))
(( segid " A" and resid 53 and name HN ))
2.940 1.080 1.080 peak 1114 weight 1.00000E+00 volume 4.12907E+07 ppm1 8.090 ppm2 3.766
ASSI { 1551}
(( segid " A" and resid 52 and name HA2 ))
(( segid " A" and resid 54 and name HN ))
3.188 1.270 1.270 peak 1551 weight 1.00000E+00 volume 2.53808E+07 ppm1 8.661 ppm2 3.902
ASSI { 2494}
(( segid " A" and resid 52 and name HA2 ))
(( segid " A" and resid 55 and name HN ))
3.347 1.400 1.400 peak 2494 weight 1.00000E+00 volume 1.89500E+07 ppm1 7.872 ppm2 4.311
ASSI { 1215}
(( segid " A" and resid 53 and name HB ))
(( segid " A" and resid 53 and name HA ))
2.765 0.956 0.956 peak 1215 weight 1.00000E+00 volume 1.25215E+06 ppm1 3.935 ppm2 4.175
ASSI { 1216}
(( segid " A" and resid 53 and name HB ))
( segid " A" and resid 53 and name HG2#)
2.377 0.706 0.706 peak 1216 weight 1.00000E+00 volume 3.10569E+06 ppm1 4.210 ppm2 1.228
ASSI { 1214}
( segid " A" and resid 53 and name HG2#)
(( segid " A" and resid 53 and name HA ))
1.974 0.487 0.487 peak 1214 weight 1.00000E+00 volume 2.78290E+06 ppm1 3.946 ppm2 1.225
ASSI { 1010}
(( segid " A" and resid 53 and name HA ))
(( segid " A" and resid 53 and name HN ))
2.637 0.869 0.869 peak 1010 weight 1.00000E+00 volume 7.92918E+07 ppm1 8.090 ppm2 3.929
ASSI { 452}
(( segid " A" and resid 53 and name HB ))
(( segid " A" and resid 53 and name HN ))
2.409 0.725 0.725 peak 452 weight 1.00000E+00 volume 1.36466E+08 ppm1 8.086 ppm2 4.189
ASSI { 707}
(( segid " A" and resid 53 and name HB ))
(( segid " A" and resid 55 and name HN ))
3.171 1.257 1.257 peak 707 weight 1.00000E+00 volume 2.62001E+07 ppm1 7.872 ppm2 4.182
ASSI { 1108}
( segid " A" and resid 54 and name HD1#)
(( segid " A" and resid 53 and name HB ))
2.824 0.997 0.997 peak 1108 weight 1.00000E+00 volume 1.10370E+06 ppm1 0.884 ppm2 4.235
ASSI { 3397}
( segid " A" and resid 54 and name HD1#)
( segid " A" and resid 53 and name HG2#)
1.924 0.463 0.463 peak 3397 weight 1.00000E+00 volume 1.10200E+07 ppm1 0.884 ppm2 1.214
ASSI { 3669}
(( segid " A" and resid 54 and name HA ))
( segid " A" and resid 53 and name HG2#)
2.666 0.888 0.888 peak 3669 weight 1.00000E+00 volume 1.55900E+06 ppm1 3.800 ppm2 1.174
ASSI { 923}
(( segid " A" and resid 54 and name HN ))
( segid " A" and resid 53 and name HG2#)
3.277 1.343 1.343 peak 923 weight 1.00000E+00 volume 2.14995E+07 ppm1 8.659 ppm2 1.183
ASSI { 2293}
(( segid " A" and resid 54 and name HN ))
(( segid " A" and resid 53 and name HN ))
3.172 1.258 1.258 peak 2293 weight 1.00000E+00 volume 2.61287E+07 ppm1 8.089 ppm2 8.650
ASSI { 1094}
(( segid " A" and resid 54 and name HG11))
(( segid " A" and resid 54 and name HB ))
2.242 0.628 0.628 peak 1094 weight 1.00000E+00 volume 4.41086E+06 ppm1 1.976 ppm2 1.594
ASSI { 1103}
( segid " A" and resid 54 and name HD1#)
(( segid " A" and resid 54 and name HB ))
2.214 0.613 0.613 peak 1103 weight 1.00000E+00 volume 4.75341E+06 ppm1 0.885 ppm2 1.988
ASSI { 1106}
( segid " A" and resid 54 and name HD1#)
(( segid " A" and resid 54 and name HA ))
2.218 0.615 0.615 peak 1106 weight 1.00000E+00 volume 4.69687E+06 ppm1 0.883 ppm2 3.798
ASSI { 5}
( segid " A" and resid 54 and name HD1#)
(( segid " A" and resid 54 and name HG11))
1.807 0.408 0.408 peak 5 weight 1.00000E+00 volume 7.68709E+06 ppm1 0.883 ppm2 1.595
ASSI { 1115}
(( segid " A" and resid 54 and name HG11))
(( segid " A" and resid 54 and name HG12))
1.730 0.374 0.374 peak 1115 weight 1.00000E+00 volume 2.08898E+07 ppm1 1.603 ppm2 1.253
ASSI { 1120}
( segid " A" and resid 54 and name HD1#)
(( segid " A" and resid 54 and name HG12))
2.040 0.520 0.520 peak 1120 weight 1.00000E+00 volume 7.77313E+06 ppm1 1.226 ppm2 0.871
ASSI { 1125}
(( segid " A" and resid 54 and name HG12))
(( segid " A" and resid 54 and name HB ))
2.466 0.760 0.760 peak 1125 weight 1.00000E+00 volume 2.48724E+06 ppm1 1.220 ppm2 1.966
ASSI { 1130}
(( segid " A" and resid 54 and name HG11))
( segid " A" and resid 54 and name HG2#)
2.166 0.586 0.586 peak 1130 weight 1.00000E+00 volume 5.42475E+06 ppm1 0.840 ppm2 1.598
ASSI { 1095}
(( segid " A" and resid 54 and name HB ))
( segid " A" and resid 54 and name HG2#)
1.976 0.488 0.488 peak 1095 weight 1.00000E+00 volume 9.08813E+06 ppm1 1.980 ppm2 0.849
ASSI { 3648}
(( segid " A" and resid 54 and name HB ))
(( segid " A" and resid 54 and name HA ))
2.519 0.793 0.793 peak 3648 weight 1.00000E+00 volume 2.19000E+06 ppm1 1.977 ppm2 3.818
ASSI { 1126}
(( segid " A" and resid 54 and name HG12))
(( segid " A" and resid 54 and name HA ))
2.436 0.742 0.742 peak 1126 weight 1.00000E+00 volume 1.64077E+06 ppm1 1.229 ppm2 3.801
ASSI { 700}
(( segid " A" and resid 54 and name HB ))
(( segid " A" and resid 54 and name HN ))
2.546 0.810 0.810 peak 700 weight 1.00000E+00 volume 4.30432E+07 ppm1 8.656 ppm2 1.958
ASSI { 701}
(( segid " A" and resid 54 and name HN ))
(( segid " A" and resid 54 and name HA ))
2.631 0.866 0.866 peak 701 weight 1.00000E+00 volume 2.55321E+07 ppm1 8.657 ppm2 3.781
ASSI { 919}
( segid " A" and resid 54 and name HG2#)
(( segid " A" and resid 54 and name HN ))
2.741 0.939 0.939 peak 919 weight 1.00000E+00 volume 3.55357E+07 ppm1 8.663 ppm2 0.816
ASSI { 2162}
(( segid " A" and resid 54 and name HG12))
(( segid " A" and resid 54 and name HN ))
2.841 1.009 1.009 peak 2162 weight 1.00000E+00 volume 5.06920E+07 ppm1 8.605 ppm2 1.493
OR { 2162}
( segid " A" and resid 109 and name HB# )
(( segid " A" and resid 126 and name HN ))
ASSI { 2492}
(( segid " A" and resid 54 and name HG12))
(( segid " A" and resid 54 and name HN ))
3.327 1.383 1.383 peak 2492 weight 1.00000E+00 volume 1.96600E+07 ppm1 8.658 ppm2 1.572
ASSI { 497}
(( segid " A" and resid 54 and name HB ))
(( segid " A" and resid 55 and name HN ))
2.493 0.777 0.777 peak 497 weight 1.00000E+00 volume 1.11001E+08 ppm1 7.872 ppm2 1.959
ASSI { 3653}
( segid " A" and resid 54 and name HG2#)
(( segid " A" and resid 55 and name HA ))
2.445 0.747 0.747 peak 3653 weight 1.00000E+00 volume 2.62200E+06 ppm1 3.835 ppm2 0.843
ASSI { 4126}
( segid " A" and resid 54 and name HG2#)
(( segid " A" and resid 55 and name HN ))
2.406 0.724 0.724 peak 4126 weight 1.00000E+00 volume 2.88600E+06 ppm1 0.837 ppm2 7.878
ASSI { 193}
(( segid " A" and resid 54 and name HN ))
(( segid " A" and resid 55 and name HN ))
3.066 1.175 1.175 peak 193 weight 1.00000E+00 volume 3.20652E+07 ppm1 7.874 ppm2 8.659
ASSI { 3663}
(( segid " A" and resid 54 and name HA ))
(( segid " A" and resid 57 and name HB1 ))
2.718 0.923 0.923 peak 3663 weight 1.00000E+00 volume 1.39000E+06 ppm1 2.044 ppm2 3.778
ASSI { 3050}
(( segid " A" and resid 54 and name HG12))
( segid " A" and resid 57 and name HD2#)
2.068 0.535 0.535 peak 3050 weight 1.00000E+00 volume 7.15651E+06 ppm1 0.832 ppm2 1.319
ASSI { 2502}
(( segid " A" and resid 54 and name HA ))
(( segid " A" and resid 57 and name HN ))
2.692 0.906 0.906 peak 2502 weight 1.00000E+00 volume 6.99200E+07 ppm1 8.147 ppm2 3.785
ASSI { 3646}
(( segid " A" and resid 54 and name HA ))
(( segid " A" and resid 58 and name HN ))
3.287 1.350 1.350 peak 3646 weight 1.00000E+00 volume 4.44000E+05 ppm1 3.808 ppm2 8.356
ASSI { 1577}
(( segid " A" and resid 54 and name HG12))
(( segid " A" and resid 58 and name HN ))
3.207 1.285 1.285 peak 1577 weight 1.00000E+00 volume 2.44991E+07 ppm1 8.373 ppm2 1.204
OR { 1577}
( segid " A" and resid 55 and name HG2#)
(( segid " A" and resid 58 and name HN ))
ASSI { 2506}
(( segid " A" and resid 54 and name HG12))
(( segid " A" and resid 58 and name HN ))
3.731 1.740 1.740 peak 2506 weight 1.00000E+00 volume 9.87400E+06 ppm1 8.364 ppm2 1.627
ASSI { 1127}
(( segid " A" and resid 54 and name HG12))
(( segid " A" and resid 63 and name HE22))
2.959 1.094 1.094 peak 1127 weight 1.00000E+00 volume 8.34367E+05 ppm1 1.215 ppm2 7.264
ASSI { 3704}
( segid " A" and resid 54 and name HG2#)
(( segid " A" and resid 66 and name HD1 ))
2.901 1.052 1.052 peak 3704 weight 1.00000E+00 volume 9.39800E+05 ppm1 3.209 ppm2 0.818
OR { 3704}
( segid " A" and resid 26 and name HD1#)
(( segid " A" and resid 66 and name HD2 ))
OR { 3704}
( segid " A" and resid 57 and name HD2#)
( segid " A" and resid 66 and name HD# )
ASSI { 1114}
(( segid " A" and resid 54 and name HG11))
( segid " A" and resid 67 and name HG2#)
2.114 0.558 0.558 peak 1114 weight 1.00000E+00 volume 6.28039E+06 ppm1 1.598 ppm2 1.031
ASSI { 3719}
( segid " A" and resid 54 and name HG2#)
( segid " A" and resid 67 and name HG2#)
1.865 0.435 0.435 peak 3719 weight 1.00000E+00 volume 1.32900E+07 ppm1 1.046 ppm2 0.837
ASSI { 1102}
( segid " A" and resid 54 and name HD1#)
( segid " A" and resid 129 and name HG1#)
1.653 0.342 0.342 peak 1102 weight 1.00000E+00 volume 2.74186E+07 ppm1 0.881 ppm2 0.759
ASSI { 1546}
(( segid " A" and resid 55 and name HB ))
(( segid " A" and resid 53 and name HN ))
3.433 1.474 1.474 peak 1546 weight 1.00000E+00 volume 1.62553E+07 ppm1 8.088 ppm2 4.051
ASSI { 1145}
( segid " A" and resid 55 and name HG2#)
(( segid " A" and resid 55 and name HB ))
1.902 0.452 0.452 peak 1145 weight 1.00000E+00 volume 7.81816E+06 ppm1 4.057 ppm2 1.197
ASSI { 710}
(( segid " A" and resid 55 and name HN ))
(( segid " A" and resid 55 and name HB ))
2.348 0.689 0.689 peak 710 weight 1.00000E+00 volume 1.58919E+08 ppm1 7.869 ppm2 4.028
ASSI { 1137}
(( segid " A" and resid 55 and name HA ))
( segid " A" and resid 55 and name HG2#)
1.994 0.497 0.497 peak 1137 weight 1.00000E+00 volume 5.25807E+06 ppm1 3.835 ppm2 1.191
ASSI { 3655}
(( segid " A" and resid 55 and name HA ))
(( segid " A" and resid 55 and name HB ))
2.270 0.644 0.644 peak 3655 weight 1.00000E+00 volume 4.08900E+06 ppm1 3.835 ppm2 4.032
ASSI { 711}
(( segid " A" and resid 55 and name HA ))
(( segid " A" and resid 55 and name HN ))
2.355 0.693 0.693 peak 711 weight 1.00000E+00 volume 1.56013E+08 ppm1 7.870 ppm2 3.796
ASSI { 1141}
(( segid " A" and resid 55 and name HA ))
(( segid " A" and resid 56 and name HN ))
2.965 1.099 1.099 peak 1141 weight 1.00000E+00 volume 8.23210E+05 ppm1 3.834 ppm2 7.650
ASSI { 3661}
( segid " A" and resid 55 and name HG2#)
(( segid " A" and resid 56 and name HN ))
2.654 0.880 0.880 peak 3661 weight 1.00000E+00 volume 1.60300E+06 ppm1 1.186 ppm2 7.681
ASSI { 2493}
(( segid " A" and resid 55 and name HN ))
(( segid " A" and resid 57 and name HN ))
3.079 1.185 1.185 peak 2493 weight 1.00000E+00 volume 3.12900E+07 ppm1 7.871 ppm2 8.125
ASSI { 1135}
(( segid " A" and resid 55 and name HA ))
( segid " A" and resid 58 and name HG1#)
2.219 0.615 0.615 peak 1135 weight 1.00000E+00 volume 4.69298E+06 ppm1 3.834 ppm2 0.952
ASSI { 3654}
(( segid " A" and resid 55 and name HA ))
(( segid " A" and resid 58 and name HB ))
2.735 0.935 0.935 peak 3654 weight 1.00000E+00 volume 1.33900E+06 ppm1 3.834 ppm2 2.240
ASSI { 2504}
(( segid " A" and resid 55 and name HA ))
(( segid " A" and resid 58 and name HN ))
2.559 0.819 0.819 peak 2504 weight 1.00000E+00 volume 9.48600E+07 ppm1 8.368 ppm2 3.811
ASSI { 2507}
( segid " A" and resid 55 and name HG2#)
(( segid " A" and resid 58 and name HN ))
3.207 1.285 1.285 peak 2507 weight 1.00000E+00 volume 2.45000E+07 ppm1 8.373 ppm2 1.204
ASSI { 3658}
( segid " A" and resid 55 and name HG2#)
(( segid " A" and resid 59 and name HG1 ))
2.599 0.844 0.844 peak 3658 weight 1.00000E+00 volume 1.81700E+06 ppm1 1.190 ppm2 2.625
ASSI { 2508}
( segid " A" and resid 55 and name HG2#)
(( segid " A" and resid 59 and name HN ))
3.210 1.288 1.288 peak 2508 weight 1.00000E+00 volume 2.43400E+07 ppm1 7.247 ppm2 1.172
ASSI { 2519}
( segid " A" and resid 55 and name HG2#)
(( segid " A" and resid 59 and name HE22))
2.585 0.835 0.835 peak 2519 weight 1.00000E+00 volume 8.92300E+07 ppm1 7.380 ppm2 1.168
ASSI { 2520}
( segid " A" and resid 55 and name HG2#)
(( segid " A" and resid 59 and name HE21))
2.661 0.885 0.885 peak 2520 weight 1.00000E+00 volume 7.49600E+07 ppm1 6.819 ppm2 1.170
ASSI { 3657}
(( segid " A" and resid 56 and name HN ))
(( segid " A" and resid 55 and name HB ))
2.423 0.734 0.734 peak 3657 weight 1.00000E+00 volume 2.76800E+06 ppm1 4.054 ppm2 7.702
ASSI { 189}
(( segid " A" and resid 56 and name HN ))
(( segid " A" and resid 55 and name HN ))
2.380 0.708 0.708 peak 189 weight 1.00000E+00 volume 1.03958E+08 ppm1 7.871 ppm2 7.681
ASSI { 1164}
(( segid " A" and resid 56 and name HN ))
(( segid " A" and resid 56 and name HB2 ))
2.467 0.761 0.761 peak 1164 weight 1.00000E+00 volume 2.48550E+06 ppm1 4.001 ppm2 7.689
ASSI { 996}
(( segid " A" and resid 56 and name HN ))
(( segid " A" and resid 56 and name HB1 ))
1.946 0.473 0.473 peak 996 weight 1.00000E+00 volume 4.90425E+08 ppm1 7.681 ppm2 3.945
ASSI { 1160}
(( segid " A" and resid 56 and name HA ))
(( segid " A" and resid 56 and name HB2 ))
1.971 0.486 0.486 peak 1160 weight 1.00000E+00 volume 9.54676E+06 ppm1 4.207 ppm2 3.987
ASSI { 705}
(( segid " A" and resid 56 and name HN ))
(( segid " A" and resid 56 and name HA ))
2.233 0.623 0.623 peak 705 weight 1.00000E+00 volume 2.15135E+08 ppm1 7.681 ppm2 4.183
ASSI { 192}
(( segid " A" and resid 56 and name HN ))
(( segid " A" and resid 57 and name HN ))
2.359 0.696 0.696 peak 192 weight 1.00000E+00 volume 1.54418E+08 ppm1 7.681 ppm2 8.140
ASSI { 499}
(( segid " A" and resid 56 and name HA ))
(( segid " A" and resid 57 and name HN ))
2.505 0.784 0.784 peak 499 weight 1.00000E+00 volume 1.07777E+08 ppm1 8.146 ppm2 4.187
ASSI { 714}
(( segid " A" and resid 56 and name HN ))
(( segid " A" and resid 57 and name HB1 ))
2.939 1.080 1.080 peak 714 weight 1.00000E+00 volume 4.12936E+07 ppm1 7.681 ppm2 2.045
ASSI { 997}
(( segid " A" and resid 56 and name HB1 ))
(( segid " A" and resid 57 and name HN ))
2.522 0.795 0.795 peak 997 weight 1.00000E+00 volume 1.03528E+08 ppm1 8.149 ppm2 3.945
ASSI { 2499}
(( segid " A" and resid 56 and name HN ))
(( segid " A" and resid 58 and name HN ))
3.307 1.367 1.367 peak 2499 weight 1.00000E+00 volume 2.03800E+07 ppm1 7.682 ppm2 8.372
ASSI { 3662}
(( segid " A" and resid 56 and name HA ))
(( segid " A" and resid 59 and name HB1 ))
2.493 0.777 0.777 peak 3662 weight 1.00000E+00 volume 2.33100E+06 ppm1 4.207 ppm2 2.078
ASSI { 1561}
(( segid " A" and resid 56 and name HN ))
(( segid " A" and resid 59 and name HG1 ))
3.280 1.345 1.345 peak 1561 weight 1.00000E+00 volume 2.13822E+07 ppm1 7.680 ppm2 2.611
ASSI { 2498}
(( segid " A" and resid 56 and name HN ))
(( segid " A" and resid 59 and name HN ))
3.319 1.377 1.377 peak 2498 weight 1.00000E+00 volume 1.99400E+07 ppm1 7.682 ppm2 7.248
ASSI { 1191}
( segid " A" and resid 57 and name HD2#)
( segid " A" and resid 53 and name HG2#)
1.918 0.460 0.460 peak 1191 weight 1.00000E+00 volume 1.12483E+07 ppm1 0.791 ppm2 1.206
ASSI { 1188}
( segid " A" and resid 57 and name HD2#)
(( segid " A" and resid 54 and name HA ))
2.194 0.602 0.602 peak 1188 weight 1.00000E+00 volume 5.02012E+06 ppm1 0.787 ppm2 3.804
ASSI { 1120}
( segid " A" and resid 57 and name HD1#)
(( segid " A" and resid 56 and name HN ))
2.757 0.950 0.950 peak 1120 weight 1.00000E+00 volume 6.07216E+07 ppm1 7.682 ppm2 0.802
ASSI { 1172}
(( segid " A" and resid 57 and name HG ))
(( segid " A" and resid 57 and name HA ))
1.968 0.484 0.484 peak 1172 weight 1.00000E+00 volume 9.62664E+06 ppm1 4.164 ppm2 1.934
ASSI { 1173}
(( segid " A" and resid 57 and name HA ))
(( segid " A" and resid 57 and name HB1 ))
2.207 0.609 0.609 peak 1173 weight 1.00000E+00 volume 4.84641E+06 ppm1 4.163 ppm2 2.058
ASSI { 1174}
(( segid " A" and resid 57 and name HA ))
(( segid " A" and resid 57 and name HB2 ))
2.381 0.708 0.708 peak 1174 weight 1.00000E+00 volume 3.07574E+06 ppm1 4.161 ppm2 1.363
ASSI { 1178}
(( segid " A" and resid 57 and name HB1 ))
(( segid " A" and resid 57 and name HB2 ))
2.282 0.651 0.651 peak 1178 weight 1.00000E+00 volume 3.04585E+06 ppm1 2.050 ppm2 1.351
ASSI { 1180}
( segid " A" and resid 57 and name HD2#)
(( segid " A" and resid 57 and name HB1 ))
2.203 0.607 0.607 peak 1180 weight 1.00000E+00 volume 4.89175E+06 ppm1 2.046 ppm2 0.818
ASSI { 1181}
( segid " A" and resid 57 and name HD2#)
(( segid " A" and resid 57 and name HB2 ))
2.140 0.573 0.573 peak 1181 weight 1.00000E+00 volume 5.82494E+06 ppm1 1.359 ppm2 0.806
ASSI { 1196}
( segid " A" and resid 57 and name HD1#)
(( segid " A" and resid 57 and name HB1 ))
2.008 0.504 0.504 peak 1196 weight 1.00000E+00 volume 8.53766E+06 ppm1 0.794 ppm2 2.058
ASSI { 1197}
(( segid " A" and resid 57 and name HG ))
( segid " A" and resid 57 and name HD1#)
1.891 0.447 0.447 peak 1197 weight 1.00000E+00 volume 1.22417E+07 ppm1 0.793 ppm2 1.943
ASSI { 1189}
(( segid " A" and resid 57 and name HG ))
( segid " A" and resid 57 and name HD2#)
1.921 0.461 0.461 peak 1189 weight 1.00000E+00 volume 1.11459E+07 ppm1 0.789 ppm2 1.955
ASSI { 1065}
(( segid " A" and resid 57 and name HG ))
( segid " A" and resid 57 and name HD# )
1.935 0.468 0.468 peak 1065 weight 1.00000E+00 volume 1.06677E+07 ppm1 1.937 ppm2 0.817
ASSI { 1194}
( segid " A" and resid 57 and name HD1#)
(( segid " A" and resid 57 and name HA ))
1.941 0.471 0.471 peak 1194 weight 1.00000E+00 volume 1.04662E+07 ppm1 0.794 ppm2 4.147
ASSI { 712}
(( segid " A" and resid 57 and name HA ))
(( segid " A" and resid 57 and name HN ))
2.505 0.784 0.784 peak 712 weight 1.00000E+00 volume 1.07777E+08 ppm1 8.149 ppm2 4.145
ASSI { 713}
(( segid " A" and resid 57 and name HB1 ))
(( segid " A" and resid 57 and name HN ))
2.425 0.735 0.735 peak 713 weight 1.00000E+00 volume 1.30947E+08 ppm1 8.147 ppm2 2.035
ASSI { 1117}
( segid " A" and resid 57 and name HD1#)
(( segid " A" and resid 57 and name HN ))
2.389 0.713 0.713 peak 1117 weight 1.00000E+00 volume 1.43246E+08 ppm1 8.148 ppm2 0.779
ASSI { 1565}
(( segid " A" and resid 57 and name HB2 ))
(( segid " A" and resid 57 and name HN ))
2.644 0.874 0.874 peak 1565 weight 1.00000E+00 volume 7.79220E+07 ppm1 8.146 ppm2 1.341
ASSI { 62}
(( segid " A" and resid 57 and name HN ))
(( segid " A" and resid 58 and name HN ))
2.579 0.831 0.831 peak 62 weight 1.00000E+00 volume 9.05888E+07 ppm1 8.368 ppm2 8.148
ASSI { 500}
(( segid " A" and resid 57 and name HA ))
(( segid " A" and resid 58 and name HN ))
2.801 0.980 0.980 peak 500 weight 1.00000E+00 volume 5.52113E+07 ppm1 8.369 ppm2 4.145
ASSI { 501}
(( segid " A" and resid 57 and name HB1 ))
(( segid " A" and resid 58 and name HN ))
2.537 0.805 0.805 peak 501 weight 1.00000E+00 volume 9.99165E+07 ppm1 8.368 ppm2 2.042
ASSI { 1181}
(( segid " A" and resid 57 and name HB2 ))
(( segid " A" and resid 58 and name HN ))
2.792 0.975 0.975 peak 1181 weight 1.00000E+00 volume 5.61952E+07 ppm1 8.367 ppm2 1.340
ASSI { 718}
(( segid " A" and resid 57 and name HN ))
(( segid " A" and resid 59 and name HN ))
3.263 1.331 1.331 peak 718 weight 1.00000E+00 volume 2.20693E+07 ppm1 8.144 ppm2 7.236
ASSI { 2509}
(( segid " A" and resid 57 and name HB2 ))
(( segid " A" and resid 59 and name HN ))
3.680 1.693 1.693 peak 2509 weight 1.00000E+00 volume 1.07200E+07 ppm1 7.251 ppm2 1.345
OR { 2509}
( segid " A" and resid 45 and name HB# )
(( segid " A" and resid 48 and name HN ))
ASSI { 1992}
( segid " A" and resid 57 and name HD# )
(( segid " A" and resid 108 and name HD22))
3.495 1.527 1.527 peak 1992 weight 1.00000E+00 volume 1.46144E+07 ppm1 7.155 ppm2 0.776
ASSI { 2496}
( segid " A" and resid 58 and name HG1#)
(( segid " A" and resid 55 and name HN ))
3.137 1.230 1.230 peak 2496 weight 1.00000E+00 volume 2.79400E+07 ppm1 7.871 ppm2 0.944
ASSI { 2497}
( segid " A" and resid 58 and name HG1#)
(( segid " A" and resid 56 and name HN ))
3.011 1.133 1.133 peak 2497 weight 1.00000E+00 volume 3.57300E+07 ppm1 7.681 ppm2 0.936
ASSI { 1221}
(( segid " A" and resid 58 and name HA ))
(( segid " A" and resid 58 and name HB ))
2.191 0.600 0.600 peak 1221 weight 1.00000E+00 volume 5.06555E+06 ppm1 3.724 ppm2 2.241
ASSI { 1223}
( segid " A" and resid 58 and name HG2#)
(( segid " A" and resid 58 and name HA ))
1.940 0.470 0.470 peak 1223 weight 1.00000E+00 volume 6.81125E+06 ppm1 3.725 ppm2 0.896
ASSI { 1230}
( segid " A" and resid 58 and name HG2#)
(( segid " A" and resid 58 and name HB ))
2.063 0.532 0.532 peak 1230 weight 1.00000E+00 volume 7.25250E+06 ppm1 0.901 ppm2 2.219
ASSI { 1225}
( segid " A" and resid 58 and name HG1#)
(( segid " A" and resid 58 and name HB ))
1.793 0.402 0.402 peak 1225 weight 1.00000E+00 volume 1.30905E+07 ppm1 2.220 ppm2 0.943
ASSI { 925}
( segid " A" and resid 58 and name HG1#)
(( segid " A" and resid 58 and name HN ))
2.041 0.521 0.521 peak 925 weight 1.00000E+00 volume 3.39563E+08 ppm1 8.366 ppm2 0.964
ASSI { 716}
(( segid " A" and resid 58 and name HA ))
(( segid " A" and resid 58 and name HN ))
2.460 0.756 0.756 peak 716 weight 1.00000E+00 volume 1.20227E+08 ppm1 8.368 ppm2 3.709
ASSI { 717}
(( segid " A" and resid 58 and name HB ))
(( segid " A" and resid 58 and name HN ))
2.303 0.663 0.663 peak 717 weight 1.00000E+00 volume 1.78653E+08 ppm1 8.367 ppm2 2.205
ASSI { 1239}
( segid " A" and resid 58 and name HG1#)
(( segid " A" and resid 59 and name HG2 ))
2.483 0.771 0.771 peak 1239 weight 1.00000E+00 volume 2.38945E+06 ppm1 0.974 ppm2 2.413
ASSI { 1265}
( segid " A" and resid 58 and name HG1#)
(( segid " A" and resid 59 and name HA ))
2.293 0.657 0.657 peak 1265 weight 1.00000E+00 volume 3.84922E+06 ppm1 4.255 ppm2 0.896
ASSI { 1248}
( segid " A" and resid 58 and name HG1#)
(( segid " A" and resid 59 and name HN ))
2.094 0.548 0.548 peak 1248 weight 1.00000E+00 volume 6.64116E+06 ppm1 0.973 ppm2 7.278
ASSI { 60}
(( segid " A" and resid 58 and name HN ))
(( segid " A" and resid 59 and name HN ))
2.375 0.705 0.705 peak 60 weight 1.00000E+00 volume 1.48346E+08 ppm1 7.245 ppm2 8.365
ASSI { 503}
(( segid " A" and resid 58 and name HA ))
(( segid " A" and resid 59 and name HN ))
2.596 0.842 0.842 peak 503 weight 1.00000E+00 volume 8.71193E+07 ppm1 7.245 ppm2 3.706
ASSI { 2505}
(( segid " A" and resid 58 and name HN ))
(( segid " A" and resid 59 and name HG1 ))
3.386 1.433 1.433 peak 2505 weight 1.00000E+00 volume 1.76900E+07 ppm1 8.364 ppm2 2.608
ASSI { 2521}
( segid " A" and resid 58 and name HG1#)
(( segid " A" and resid 59 and name HE21))
3.105 1.205 1.205 peak 2521 weight 1.00000E+00 volume 2.35100E+07 ppm1 6.818 ppm2 0.905
ASSI { 2522}
( segid " A" and resid 58 and name HG1#)
(( segid " A" and resid 59 and name HE22))
2.980 1.110 1.110 peak 2522 weight 1.00000E+00 volume 3.80100E+07 ppm1 7.378 ppm2 0.912
ASSI { 1607}
(( segid " A" and resid 58 and name HN ))
(( segid " A" and resid 60 and name HN ))
3.122 1.218 1.218 peak 1607 weight 1.00000E+00 volume 1.93626E+07 ppm1 7.815 ppm2 8.361
ASSI { 4248}
( segid " A" and resid 58 and name HG2#)
(( segid " A" and resid 64 and name HB1 ))
1.718 0.369 0.369 peak 4248 weight 1.00000E+00 volume 2.17599E+07 ppm1 0.897 ppm2 1.632
ASSI { 2533}
(( segid " A" and resid 58 and name HA ))
(( segid " A" and resid 64 and name HN ))
3.269 1.336 1.336 peak 2533 weight 1.00000E+00 volume 2.18400E+07 ppm1 7.895 ppm2 3.700
ASSI { 2514}
(( segid " A" and resid 59 and name HE22))
(( segid " A" and resid 56 and name HA ))
2.971 1.103 1.103 peak 2514 weight 1.00000E+00 volume 3.87600E+07 ppm1 7.379 ppm2 4.202
ASSI { 1262}
(( segid " A" and resid 59 and name HA ))
(( segid " A" and resid 59 and name HB2 ))
1.941 0.471 0.471 peak 1262 weight 1.00000E+00 volume 1.04809E+07 ppm1 4.257 ppm2 2.286
ASSI { 1271}
(( segid " A" and resid 59 and name HB2 ))
(( segid " A" and resid 59 and name HB1 ))
1.770 0.392 0.392 peak 1271 weight 1.00000E+00 volume 1.03181E+07 ppm1 2.313 ppm2 2.091
ASSI { 1274}
(( segid " A" and resid 59 and name HG1 ))
(( segid " A" and resid 59 and name HB1 ))
2.321 0.673 0.673 peak 1274 weight 1.00000E+00 volume 3.58014E+06 ppm1 2.089 ppm2 2.625
ASSI { 1279}
(( segid " A" and resid 59 and name HN ))
(( segid " A" and resid 59 and name HB2 ))
2.689 0.904 0.904 peak 1279 weight 1.00000E+00 volume 1.48162E+06 ppm1 2.313 ppm2 7.272
ASSI { 720}
(( segid " A" and resid 59 and name HN ))
(( segid " A" and resid 59 and name HB1 ))
2.174 0.591 0.591 peak 720 weight 1.00000E+00 volume 2.52080E+08 ppm1 7.245 ppm2 2.068
ASSI { 1283}
(( segid " A" and resid 59 and name HG2 ))
(( segid " A" and resid 59 and name HG1 ))
1.798 0.404 0.404 peak 1283 weight 1.00000E+00 volume 1.48072E+07 ppm1 2.436 ppm2 2.610
ASSI { 1288}
(( segid " A" and resid 59 and name HG2 ))
(( segid " A" and resid 59 and name HB1 ))
2.261 0.639 0.639 peak 1288 weight 1.00000E+00 volume 4.18675E+06 ppm1 2.434 ppm2 2.089
ASSI { 1275}
(( segid " A" and resid 59 and name HG1 ))
(( segid " A" and resid 59 and name HB2 ))
2.065 0.533 0.533 peak 1275 weight 1.00000E+00 volume 2.72279E+06 ppm1 2.313 ppm2 2.628
ASSI { 1292}
(( segid " A" and resid 59 and name HG2 ))
(( segid " A" and resid 59 and name HA ))
2.256 0.636 0.636 peak 1292 weight 1.00000E+00 volume 4.24910E+06 ppm1 2.434 ppm2 4.246
ASSI { 929}
(( segid " A" and resid 59 and name HG1 ))
(( segid " A" and resid 59 and name HN ))
2.303 0.663 0.663 peak 929 weight 1.00000E+00 volume 1.78399E+08 ppm1 7.245 ppm2 2.604
ASSI { 719}
(( segid " A" and resid 59 and name HN ))
(( segid " A" and resid 59 and name HA ))
2.214 0.613 0.613 peak 719 weight 1.00000E+00 volume 2.25906E+08 ppm1 7.245 ppm2 4.217
ASSI { 930}
(( segid " A" and resid 59 and name HG2 ))
(( segid " A" and resid 59 and name HN ))
2.488 0.774 0.774 peak 930 weight 1.00000E+00 volume 1.12256E+08 ppm1 7.246 ppm2 2.425
ASSI { 1591}
(( segid " A" and resid 59 and name HE22))
(( segid " A" and resid 59 and name HE21))
1.718 0.369 0.369 peak 1591 weight 1.00000E+00 volume 1.03532E+09 ppm1 7.379 ppm2 6.811
ASSI { 1596}
(( segid " A" and resid 59 and name HE22))
(( segid " A" and resid 59 and name HG1 ))
2.586 0.836 0.836 peak 1596 weight 1.00000E+00 volume 8.90006E+07 ppm1 7.379 ppm2 2.602
ASSI { 1597}
(( segid " A" and resid 59 and name HE21))
(( segid " A" and resid 59 and name HG1 ))
2.795 0.976 0.976 peak 1597 weight 1.00000E+00 volume 5.58878E+07 ppm1 6.819 ppm2 2.603
ASSI { 1598}
(( segid " A" and resid 59 and name HE22))
(( segid " A" and resid 59 and name HG2 ))
2.658 0.883 0.883 peak 1598 weight 1.00000E+00 volume 7.54949E+07 ppm1 7.380 ppm2 2.419
ASSI { 1599}
(( segid " A" and resid 59 and name HE21))
(( segid " A" and resid 59 and name HG2 ))
2.869 1.029 1.029 peak 1599 weight 1.00000E+00 volume 4.77849E+07 ppm1 6.819 ppm2 2.425
ASSI { 2515}
(( segid " A" and resid 59 and name HE21))
(( segid " A" and resid 59 and name HA ))
3.419 1.461 1.461 peak 2515 weight 1.00000E+00 volume 1.66900E+07 ppm1 6.820 ppm2 4.200
ASSI { 1600}
(( segid " A" and resid 59 and name HE22))
(( segid " A" and resid 59 and name HB2 ))
3.176 1.261 1.261 peak 1600 weight 1.00000E+00 volume 2.59746E+07 ppm1 7.377 ppm2 2.272
ASSI { 2518}
(( segid " A" and resid 59 and name HE21))
(( segid " A" and resid 59 and name HB2 ))
3.432 1.472 1.472 peak 2518 weight 1.00000E+00 volume 1.63100E+07 ppm1 6.820 ppm2 2.063
ASSI { 57}
(( segid " A" and resid 59 and name HN ))
(( segid " A" and resid 60 and name HN ))
2.232 0.623 0.623 peak 57 weight 1.00000E+00 volume 1.54710E+08 ppm1 7.814 ppm2 7.242
ASSI { 504}
(( segid " A" and resid 59 and name HB2 ))
(( segid " A" and resid 60 and name HN ))
2.860 1.022 1.022 peak 504 weight 1.00000E+00 volume 4.87067E+07 ppm1 7.812 ppm2 2.282
ASSI { 505}
(( segid " A" and resid 59 and name HB1 ))
(( segid " A" and resid 60 and name HN ))
2.670 0.891 0.891 peak 505 weight 1.00000E+00 volume 7.34507E+07 ppm1 7.814 ppm2 2.070
ASSI { 506}
(( segid " A" and resid 59 and name HA ))
(( segid " A" and resid 60 and name HN ))
2.513 0.790 0.790 peak 506 weight 1.00000E+00 volume 1.05701E+08 ppm1 7.814 ppm2 4.209
ASSI { 927}
(( segid " A" and resid 59 and name HG2 ))
(( segid " A" and resid 60 and name HN ))
3.205 1.284 1.284 peak 927 weight 1.00000E+00 volume 2.45787E+07 ppm1 7.813 ppm2 2.429
ASSI { 2323}
(( segid " A" and resid 59 and name HB1 ))
(( segid " A" and resid 60 and name HD21))
2.687 0.903 0.903 peak 2323 weight 1.00000E+00 volume 7.07187E+07 ppm1 7.766 ppm2 2.079
ASSI { 1134}
(( segid " A" and resid 60 and name HA ))
(( segid " A" and resid 59 and name HN ))
3.438 1.477 1.477 peak 1134 weight 1.00000E+00 volume 1.61424E+07 ppm1 7.245 ppm2 5.052
ASSI { 927}
(( segid " A" and resid 60 and name HB1 ))
(( segid " A" and resid 60 and name HA ))
2.405 0.723 0.723 peak 927 weight 1.00000E+00 volume 2.89191E+06 ppm1 2.625 ppm2 5.053
ASSI { 928}
(( segid " A" and resid 60 and name HB2 ))
(( segid " A" and resid 60 and name HA ))
2.508 0.786 0.786 peak 928 weight 1.00000E+00 volume 2.16201E+06 ppm1 3.155 ppm2 5.070
ASSI { 946}
(( segid " A" and resid 60 and name HB1 ))
(( segid " A" and resid 60 and name HB2 ))
1.926 0.464 0.464 peak 946 weight 1.00000E+00 volume 1.05306E+07 ppm1 2.626 ppm2 3.148
ASSI { 1309}
(( segid " A" and resid 60 and name HB2 ))
(( segid " A" and resid 60 and name HN ))
2.334 0.681 0.681 peak 1309 weight 1.00000E+00 volume 3.46042E+06 ppm1 3.148 ppm2 7.807
ASSI { 928}
(( segid " A" and resid 60 and name HB1 ))
(( segid " A" and resid 60 and name HN ))
2.436 0.742 0.742 peak 928 weight 1.00000E+00 volume 1.24417E+08 ppm1 7.813 ppm2 2.605
ASSI { 1132}
(( segid " A" and resid 60 and name HA ))
(( segid " A" and resid 60 and name HN ))
2.559 0.819 0.819 peak 1132 weight 1.00000E+00 volume 9.47955E+07 ppm1 7.814 ppm2 5.051
ASSI { 1157}
(( segid " A" and resid 60 and name HB1 ))
(( segid " A" and resid 60 and name HD21))
2.578 0.831 0.831 peak 1157 weight 1.00000E+00 volume 9.07876E+07 ppm1 7.766 ppm2 2.605
ASSI { 2865}
(( segid " A" and resid 60 and name HB2 ))
(( segid " A" and resid 60 and name HD21))
2.654 0.880 0.880 peak 2865 weight 1.00000E+00 volume 7.62754E+07 ppm1 7.766 ppm2 3.131
ASSI { 2868}
(( segid " A" and resid 60 and name HB2 ))
(( segid " A" and resid 60 and name HD22))
2.716 0.922 0.922 peak 2868 weight 1.00000E+00 volume 6.63961E+07 ppm1 6.845 ppm2 3.133
ASSI { 2870}
(( segid " A" and resid 60 and name HD22))
(( segid " A" and resid 60 and name HD21))
1.889 0.446 0.446 peak 2870 weight 1.00000E+00 volume 5.61613E+08 ppm1 7.766 ppm2 6.845
ASSI { 4167}
(( segid " A" and resid 61 and name HB1 ))
(( segid " A" and resid 61 and name HA ))
2.616 0.855 0.855 peak 4167 weight 1.00000E+00 volume 1.74654E+06 ppm1 2.427 ppm2 4.218
ASSI { 4170}
(( segid " A" and resid 61 and name HB1 ))
(( segid " A" and resid 61 and name HB2 ))
2.310 0.667 0.667 peak 4170 weight 1.00000E+00 volume 3.68374E+06 ppm1 2.432 ppm2 2.116
ASSI { 4171}
(( segid " A" and resid 61 and name HB1 ))
(( segid " A" and resid 61 and name HG2 ))
2.502 0.783 0.783 peak 4171 weight 1.00000E+00 volume 2.27941E+06 ppm1 2.430 ppm2 1.925
ASSI { 4208}
(( segid " A" and resid 61 and name HB2 ))
(( segid " A" and resid 61 and name HA ))
2.479 0.768 0.768 peak 4208 weight 1.00000E+00 volume 2.41014E+06 ppm1 4.246 ppm2 2.111
ASSI { 4214}
(( segid " A" and resid 61 and name HA ))
(( segid " A" and resid 61 and name HG1 ))
2.527 0.798 0.798 peak 4214 weight 1.00000E+00 volume 2.14767E+06 ppm1 4.241 ppm2 1.930
ASSI { 1672}
(( segid " A" and resid 62 and name HB2 ))
(( segid " A" and resid 26 and name HN ))
3.517 1.547 1.547 peak 1672 weight 1.00000E+00 volume 1.40653E+07 ppm1 8.382 ppm2 2.482
ASSI { 4168}
(( segid " A" and resid 62 and name HD1 ))
(( segid " A" and resid 61 and name HB1 ))
2.580 0.832 0.832 peak 4168 weight 1.00000E+00 volume 1.89714E+06 ppm1 2.431 ppm2 3.711
ASSI { 4274}
(( segid " A" and resid 62 and name HD2 ))
(( segid " A" and resid 61 and name HB1 ))
2.378 0.707 0.707 peak 4274 weight 1.00000E+00 volume 3.09220E+06 ppm1 3.760 ppm2 2.419
ASSI { 1312}
(( segid " A" and resid 62 and name HB2 ))
(( segid " A" and resid 62 and name HA ))
2.050 0.525 0.525 peak 1312 weight 1.00000E+00 volume 5.39147E+06 ppm1 4.407 ppm2 2.391
ASSI { 1316}
(( segid " A" and resid 62 and name HB2 ))
(( segid " A" and resid 62 and name HB1 ))
1.857 0.431 0.431 peak 1316 weight 1.00000E+00 volume 1.36459E+07 ppm1 2.415 ppm2 1.850
ASSI { 1314}
(( segid " A" and resid 62 and name HB1 ))
(( segid " A" and resid 62 and name HA ))
2.253 0.635 0.635 peak 1314 weight 1.00000E+00 volume 1.87906E+06 ppm1 4.413 ppm2 1.890
ASSI { 1324}
(( segid " A" and resid 62 and name HA ))
(( segid " A" and resid 62 and name HG2 ))
2.821 0.995 0.995 peak 1324 weight 1.00000E+00 volume 1.11095E+06 ppm1 2.174 ppm2 4.405
ASSI { 1325}
(( segid " A" and resid 62 and name HA ))
(( segid " A" and resid 62 and name HG1 ))
2.495 0.778 0.778 peak 1325 weight 1.00000E+00 volume 2.31963E+06 ppm1 2.017 ppm2 4.402
ASSI { 1326}
(( segid " A" and resid 62 and name HG2 ))
(( segid " A" and resid 62 and name HD1 ))
2.241 0.628 0.628 peak 1326 weight 1.00000E+00 volume 4.42320E+06 ppm1 2.173 ppm2 3.734
ASSI { 1327}
(( segid " A" and resid 62 and name HG1 ))
(( segid " A" and resid 62 and name HD1 ))
2.197 0.603 0.603 peak 1327 weight 1.00000E+00 volume 4.98162E+06 ppm1 2.020 ppm2 3.733
ASSI { 1328}
(( segid " A" and resid 62 and name HB2 ))
(( segid " A" and resid 62 and name HG2 ))
2.182 0.595 0.595 peak 1328 weight 1.00000E+00 volume 5.19385E+06 ppm1 2.169 ppm2 2.400
ASSI { 1329}
(( segid " A" and resid 62 and name HB2 ))
(( segid " A" and resid 62 and name HG1 ))
2.164 0.585 0.585 peak 1329 weight 1.00000E+00 volume 5.44982E+06 ppm1 2.026 ppm2 2.402
ASSI { 1332}
(( segid " A" and resid 62 and name HG2 ))
(( segid " A" and resid 62 and name HG1 ))
1.704 0.363 0.363 peak 1332 weight 1.00000E+00 volume 1.61938E+07 ppm1 2.171 ppm2 2.028
ASSI { 1334}
(( segid " A" and resid 62 and name HB1 ))
(( segid " A" and resid 62 and name HG2 ))
2.031 0.516 0.516 peak 1334 weight 1.00000E+00 volume 7.97733E+06 ppm1 2.167 ppm2 1.877
ASSI { 4273}
(( segid " A" and resid 62 and name HG1 ))
(( segid " A" and resid 62 and name HD1 ))
2.079 0.540 0.540 peak 4273 weight 1.00000E+00 volume 6.93320E+06 ppm1 3.754 ppm2 2.016
OR { 4273}
(( segid " A" and resid 33 and name HG1 ))
( segid " A" and resid 33 and name HD# )
ASSI { 507}
(( segid " A" and resid 62 and name HA ))
(( segid " A" and resid 63 and name HN ))
2.806 0.984 0.984 peak 507 weight 1.00000E+00 volume 5.45632E+07 ppm1 7.554 ppm2 4.398
ASSI { 509}
(( segid " A" and resid 62 and name HB1 ))
(( segid " A" and resid 63 and name HN ))
2.465 0.760 0.760 peak 509 weight 1.00000E+00 volume 1.18643E+08 ppm1 7.554 ppm2 1.877
ASSI { 4265}
(( segid " A" and resid 62 and name HB1 ))
(( segid " A" and resid 92 and name HB1 ))
1.730 0.374 0.374 peak 4265 weight 1.00000E+00 volume 2.08898E+07 ppm1 1.899 ppm2 2.225
ASSI { 1619}
(( segid " A" and resid 63 and name HE22))
( segid " A" and resid 57 and name HD2#)
2.875 1.033 1.033 peak 1619 weight 1.00000E+00 volume 4.71516E+07 ppm1 7.280 ppm2 0.777
ASSI { 1620}
(( segid " A" and resid 63 and name HE21))
( segid " A" and resid 57 and name HD2#)
3.010 1.132 1.132 peak 1620 weight 1.00000E+00 volume 3.58298E+07 ppm1 6.819 ppm2 0.781
ASSI { 1626}
(( segid " A" and resid 63 and name HE22))
(( segid " A" and resid 57 and name HG ))
3.246 1.317 1.317 peak 1626 weight 1.00000E+00 volume 2.27776E+07 ppm1 7.283 ppm2 1.921
ASSI { 1627}
(( segid " A" and resid 63 and name HE21))
(( segid " A" and resid 57 and name HG ))
3.396 1.442 1.442 peak 1627 weight 1.00000E+00 volume 1.73599E+07 ppm1 6.818 ppm2 1.924
ASSI { 1621}
(( segid " A" and resid 63 and name HE21))
( segid " A" and resid 58 and name HG2#)
3.105 1.205 1.205 peak 1621 weight 1.00000E+00 volume 2.97490E+07 ppm1 6.820 ppm2 0.895
OR { 1621}
( segid " A" and resid 54 and name HD1#)
(( segid " A" and resid 63 and name HE21))
ASSI { 765}
( segid " A" and resid 63 and name HG# )
(( segid " A" and resid 63 and name HA ))
2.337 0.683 0.683 peak 765 weight 1.00000E+00 volume 3.43551E+06 ppm1 2.368 ppm2 4.218
ASSI { 724}
(( segid " A" and resid 63 and name HA ))
(( segid " A" and resid 63 and name HN ))
2.205 0.608 0.608 peak 724 weight 1.00000E+00 volume 1.31297E+08 ppm1 7.553 ppm2 4.202
ASSI { 1629}
(( segid " A" and resid 63 and name HE21))
( segid " A" and resid 63 and name HB# )
2.663 0.887 0.887 peak 1629 weight 1.00000E+00 volume 2.42601E+07 ppm1 6.820 ppm2 2.079
ASSI { 1337}
(( segid " A" and resid 63 and name HA ))
( segid " A" and resid 63 and name HB# )
2.031 0.516 0.516 peak 1337 weight 1.00000E+00 volume 7.63090E+06 ppm1 4.217 ppm2 2.095
ASSI { 725}
( segid " A" and resid 63 and name HB# )
(( segid " A" and resid 63 and name HN ))
2.102 0.552 0.552 peak 725 weight 1.00000E+00 volume 3.09193E+08 ppm1 7.553 ppm2 2.082
ASSI { 1616}
(( segid " A" and resid 63 and name HE21))
(( segid " A" and resid 63 and name HE22))
1.881 0.442 0.442 peak 1616 weight 1.00000E+00 volume 5.90405E+08 ppm1 7.279 ppm2 6.814
ASSI { 1628}
(( segid " A" and resid 63 and name HE22))
( segid " A" and resid 63 and name HB# )
3.021 1.141 1.141 peak 1628 weight 1.00000E+00 volume 3.50696E+07 ppm1 7.279 ppm2 2.060
OR { 1628}
(( segid " A" and resid 63 and name HE22))
(( segid " A" and resid 57 and name HB1 ))
ASSI { 1631}
(( segid " A" and resid 63 and name HG2 ))
(( segid " A" and resid 63 and name HE21))
2.462 0.758 0.758 peak 1631 weight 1.00000E+00 volume 8.70810E+07 ppm1 6.819 ppm2 2.347
ASSI { 1632}
( segid " A" and resid 63 and name HG# )
(( segid " A" and resid 63 and name HE22))
2.334 0.681 0.681 peak 1632 weight 1.00000E+00 volume 1.64820E+08 ppm1 7.279 ppm2 2.349
ASSI { 1636}
(( segid " A" and resid 63 and name HA ))
(( segid " A" and resid 63 and name HE21))
3.316 1.375 1.375 peak 1636 weight 1.00000E+00 volume 2.00354E+07 ppm1 6.818 ppm2 4.217
ASSI { 2530}
(( segid " A" and resid 63 and name HE22))
( segid " A" and resid 63 and name HB# )
3.021 1.141 1.141 peak 2530 weight 1.00000E+00 volume 3.50700E+07 ppm1 7.279 ppm2 2.060
ASSI { 3678}
(( segid " A" and resid 63 and name HB1 ))
(( segid " A" and resid 64 and name HN ))
2.553 0.815 0.815 peak 3678 weight 1.00000E+00 volume 2.02200E+06 ppm1 2.096 ppm2 7.911
ASSI { 66}
(( segid " A" and resid 63 and name HN ))
(( segid " A" and resid 64 and name HN ))
2.328 0.677 0.677 peak 66 weight 1.00000E+00 volume 1.67350E+08 ppm1 7.553 ppm2 7.893
ASSI { 510}
(( segid " A" and resid 63 and name HA ))
(( segid " A" and resid 64 and name HN ))
2.588 0.837 0.837 peak 510 weight 1.00000E+00 volume 8.87214E+07 ppm1 7.898 ppm2 4.202
ASSI { 3701}
(( segid " A" and resid 63 and name HA ))
(( segid " A" and resid 66 and name HD2 ))
2.725 0.928 0.928 peak 3701 weight 1.00000E+00 volume 1.36800E+06 ppm1 3.216 ppm2 4.200
ASSI { 1432}
(( segid " A" and resid 63 and name HG2 ))
(( segid " A" and resid 66 and name HD2 ))
2.791 0.974 0.974 peak 1432 weight 1.00000E+00 volume 1.18496E+06 ppm1 3.216 ppm2 2.365
ASSI { 2532}
(( segid " A" and resid 63 and name HE21))
( segid " A" and resid 66 and name HD# )
3.466 1.502 1.502 peak 2532 weight 1.00000E+00 volume 1.53600E+07 ppm1 6.820 ppm2 3.179
ASSI { 758}
(( segid " A" and resid 63 and name HG2 ))
(( segid " A" and resid 67 and name HG11))
2.387 0.712 0.712 peak 758 weight 1.00000E+00 volume 3.02898E+06 ppm1 2.356 ppm2 1.289
OR { 758}
( segid " A" and resid 3 and name HG2#)
(( segid " A" and resid 31 and name HG2 ))
ASSI { 3713}
(( segid " A" and resid 63 and name HG2 ))
( segid " A" and resid 67 and name HD1#)
2.375 0.705 0.705 peak 3713 weight 1.00000E+00 volume 3.12100E+06 ppm1 0.928 ppm2 2.374
ASSI { 1623}
(( segid " A" and resid 63 and name HE22))
( segid " A" and resid 67 and name HG2#)
3.545 1.571 1.571 peak 1623 weight 1.00000E+00 volume 1.34275E+07 ppm1 7.284 ppm2 1.033
ASSI { 1622}
(( segid " A" and resid 63 and name HE22))
( segid " A" and resid 67 and name HD1#)
2.657 0.883 0.883 peak 1622 weight 1.00000E+00 volume 4.41823E+07 ppm1 7.279 ppm2 0.906
ASSI { 1580}
( segid " A" and resid 64 and name HD1#)
( segid " A" and resid 24 and name HB# )
1.879 0.441 0.441 peak 1580 weight 1.00000E+00 volume 1.27064E+07 ppm1 0.893 ppm2 1.253
ASSI { 3688}
( segid " A" and resid 64 and name HD1#)
(( segid " A" and resid 24 and name HA ))
2.513 0.789 0.789 peak 3688 weight 1.00000E+00 volume 2.22400E+06 ppm1 0.862 ppm2 4.202
ASSI { 2312}
( segid " A" and resid 64 and name HD1#)
(( segid " A" and resid 24 and name HN ))
2.561 0.820 0.820 peak 2312 weight 1.00000E+00 volume 9.44600E+07 ppm1 8.178 ppm2 0.852
ASSI { 737}
( segid " A" and resid 64 and name HD# )
(( segid " A" and resid 64 and name HG ))
1.866 0.435 0.435 peak 737 weight 1.00000E+00 volume 1.32471E+07 ppm1 1.494 ppm2 0.862
ASSI { 1354}
(( segid " A" and resid 64 and name HA ))
(( segid " A" and resid 64 and name HB1 ))
2.473 0.764 0.764 peak 1354 weight 1.00000E+00 volume 2.44962E+06 ppm1 4.074 ppm2 1.670
ASSI { 1357}
( segid " A" and resid 64 and name HD2#)
(( segid " A" and resid 64 and name HB2 ))
2.243 0.629 0.629 peak 1357 weight 1.00000E+00 volume 4.39227E+06 ppm1 1.930 ppm2 0.860
ASSI { 1358}
( segid " A" and resid 64 and name HD2#)
(( segid " A" and resid 64 and name HB1 ))
2.188 0.599 0.599 peak 1358 weight 1.00000E+00 volume 4.10721E+06 ppm1 1.654 ppm2 0.870
ASSI { 1361}
(( segid " A" and resid 64 and name HB1 ))
(( segid " A" and resid 64 and name HB2 ))
2.351 0.691 0.691 peak 1361 weight 1.00000E+00 volume 3.31824E+06 ppm1 1.929 ppm2 1.646
ASSI { 1363}
(( segid " A" and resid 64 and name HA ))
(( segid " A" and resid 64 and name HB2 ))
2.702 0.913 0.913 peak 1363 weight 1.00000E+00 volume 1.43822E+06 ppm1 1.940 ppm2 4.078
ASSI { 2534}
(( segid " A" and resid 64 and name HB2 ))
(( segid " A" and resid 64 and name HN ))
2.412 0.727 0.727 peak 2534 weight 1.00000E+00 volume 1.35400E+08 ppm1 7.899 ppm2 1.906
ASSI { 728}
(( segid " A" and resid 64 and name HB1 ))
(( segid " A" and resid 64 and name HN ))
2.551 0.814 0.814 peak 728 weight 1.00000E+00 volume 9.66380E+07 ppm1 7.899 ppm2 1.633
ASSI { 3283}
( segid " A" and resid 64 and name HD1#)
(( segid " A" and resid 64 and name HG ))
1.886 0.445 0.445 peak 3283 weight 1.00000E+00 volume 1.24205E+07 ppm1 0.897 ppm2 1.489
OR { 3283}
( segid " A" and resid 111 and name HG2#)
( segid " A" and resid 114 and name HB# )
ASSI { 3574}
(( segid " A" and resid 64 and name HG ))
(( segid " A" and resid 64 and name HB2 ))
2.321 0.673 0.673 peak 3574 weight 1.00000E+00 volume 3.58000E+06 ppm1 1.494 ppm2 1.898
ASSI { 1353}
( segid " A" and resid 64 and name HD2#)
(( segid " A" and resid 64 and name HA ))
2.053 0.527 0.527 peak 1353 weight 1.00000E+00 volume 7.47441E+06 ppm1 4.071 ppm2 0.869
ASSI { 726}
(( segid " A" and resid 64 and name HA ))
(( segid " A" and resid 64 and name HN ))
2.510 0.787 0.787 peak 726 weight 1.00000E+00 volume 1.06642E+08 ppm1 7.899 ppm2 4.061
ASSI { 1146}
( segid " A" and resid 64 and name HD1#)
(( segid " A" and resid 65 and name HN ))
2.917 1.064 1.064 peak 1146 weight 1.00000E+00 volume 4.32017E+07 ppm1 8.989 ppm2 0.887
ASSI { 3686}
( segid " A" and resid 64 and name HD2#)
(( segid " A" and resid 67 and name HB ))
2.223 0.618 0.618 peak 3686 weight 1.00000E+00 volume 4.63600E+06 ppm1 0.862 ppm2 2.023
ASSI { 3711}
(( segid " A" and resid 64 and name HA ))
(( segid " A" and resid 67 and name HB ))
2.839 1.007 1.007 peak 3711 weight 1.00000E+00 volume 1.07000E+06 ppm1 2.030 ppm2 4.070
ASSI { 3712}
(( segid " A" and resid 64 and name HB1 ))
( segid " A" and resid 67 and name HD1#)
2.560 0.819 0.819 peak 3712 weight 1.00000E+00 volume 1.98700E+06 ppm1 0.927 ppm2 1.601
ASSI { 1477}
(( segid " A" and resid 64 and name HA ))
( segid " A" and resid 67 and name HD1#)
2.389 0.713 0.713 peak 1477 weight 1.00000E+00 volume 3.01030E+06 ppm1 0.928 ppm2 4.075
ASSI { 3716}
(( segid " A" and resid 64 and name HN ))
( segid " A" and resid 67 and name HD1#)
2.830 1.001 1.001 peak 3716 weight 1.00000E+00 volume 1.08900E+06 ppm1 0.926 ppm2 7.875
ASSI { 1147}
(( segid " A" and resid 64 and name HA ))
(( segid " A" and resid 67 and name HN ))
2.675 0.894 0.894 peak 1147 weight 1.00000E+00 volume 7.27165E+07 ppm1 7.429 ppm2 4.057
ASSI { 1663}
(( segid " A" and resid 64 and name HG ))
(( segid " A" and resid 68 and name HN ))
3.493 1.525 1.525 peak 1663 weight 1.00000E+00 volume 1.46635E+07 ppm1 8.697 ppm2 1.510
ASSI { 554}
(( segid " A" and resid 65 and name HA2 ))
( segid " A" and resid 24 and name HB# )
2.356 0.694 0.694 peak 554 weight 1.00000E+00 volume 3.27526E+06 ppm1 1.279 ppm2 3.567
ASSI { 1398}
(( segid " A" and resid 65 and name HA1 ))
( segid " A" and resid 24 and name HB# )
2.597 0.843 0.843 peak 1398 weight 1.00000E+00 volume 1.82605E+06 ppm1 4.061 ppm2 1.286
ASSI { 604}
(( segid " A" and resid 65 and name HA2 ))
( segid " A" and resid 26 and name HD2#)
2.443 0.746 0.746 peak 604 weight 1.00000E+00 volume 2.63387E+06 ppm1 0.799 ppm2 3.550
ASSI { 605}
(( segid " A" and resid 65 and name HA1 ))
( segid " A" and resid 26 and name HD2#)
2.499 0.780 0.780 peak 605 weight 1.00000E+00 volume 2.30069E+06 ppm1 0.799 ppm2 4.041
ASSI { 3537}
(( segid " A" and resid 65 and name HA2 ))
( segid " A" and resid 26 and name HD1#)
2.443 0.746 0.746 peak 3537 weight 1.00000E+00 volume 2.63400E+06 ppm1 0.799 ppm2 3.550
ASSI { 2377}
(( segid " A" and resid 65 and name HA2 ))
(( segid " A" and resid 30 and name HG ))
3.018 1.138 1.138 peak 2377 weight 1.00000E+00 volume 7.41053E+05 ppm1 1.488 ppm2 3.568
OR { 2377}
(( segid " A" and resid 65 and name HA2 ))
(( segid " A" and resid 64 and name HG ))
ASSI { 71}
(( segid " A" and resid 65 and name HN ))
(( segid " A" and resid 64 and name HN ))
2.608 0.850 0.850 peak 71 weight 1.00000E+00 volume 8.46810E+07 ppm1 8.989 ppm2 7.895
ASSI { 512}
(( segid " A" and resid 65 and name HN ))
(( segid " A" and resid 64 and name HG ))
3.024 1.143 1.143 peak 512 weight 1.00000E+00 volume 3.48115E+07 ppm1 8.989 ppm2 1.482
ASSI { 513}
(( segid " A" and resid 65 and name HN ))
(( segid " A" and resid 64 and name HB1 ))
2.815 0.990 0.990 peak 513 weight 1.00000E+00 volume 5.35758E+07 ppm1 8.989 ppm2 1.630
ASSI { 2320}
(( segid " A" and resid 65 and name HN ))
(( segid " A" and resid 64 and name HB2 ))
2.514 0.790 0.790 peak 2320 weight 1.00000E+00 volume 1.05400E+08 ppm1 8.990 ppm2 1.901
ASSI { 1395}
(( segid " A" and resid 65 and name HA2 ))
(( segid " A" and resid 65 and name HA1 ))
2.139 0.572 0.572 peak 1395 weight 1.00000E+00 volume 5.34191E+06 ppm1 4.067 ppm2 3.557
ASSI { 733}
(( segid " A" and resid 65 and name HA1 ))
(( segid " A" and resid 65 and name HN ))
2.260 0.639 0.639 peak 733 weight 1.00000E+00 volume 1.99783E+08 ppm1 8.988 ppm2 4.046
ASSI { 732}
(( segid " A" and resid 65 and name HA2 ))
(( segid " A" and resid 65 and name HN ))
2.449 0.749 0.749 peak 732 weight 1.00000E+00 volume 1.23592E+08 ppm1 8.989 ppm2 3.549
ASSI { 1404}
(( segid " A" and resid 65 and name HA1 ))
(( segid " A" and resid 66 and name HN ))
2.852 1.017 1.017 peak 1404 weight 1.00000E+00 volume 1.03921E+06 ppm1 4.073 ppm2 7.401
ASSI { 72}
(( segid " A" and resid 65 and name HN ))
(( segid " A" and resid 66 and name HN ))
2.711 0.919 0.919 peak 72 weight 1.00000E+00 volume 6.70858E+07 ppm1 8.989 ppm2 7.401
ASSI { 2537}
(( segid " A" and resid 65 and name HN ))
(( segid " A" and resid 67 and name HN ))
3.344 1.398 1.398 peak 2537 weight 1.00000E+00 volume 1.90600E+07 ppm1 7.430 ppm2 8.983
ASSI { 2545}
(( segid " A" and resid 65 and name HA1 ))
(( segid " A" and resid 68 and name HN ))
3.283 1.347 1.347 peak 2545 weight 1.00000E+00 volume 2.12900E+07 ppm1 8.698 ppm2 3.551
ASSI { 1411}
(( segid " A" and resid 66 and name HN ))
(( segid " A" and resid 66 and name HA ))
2.268 0.643 0.643 peak 1411 weight 1.00000E+00 volume 4.11669E+06 ppm1 3.913 ppm2 7.393
ASSI { 1425}
(( segid " A" and resid 66 and name HB2 ))
(( segid " A" and resid 66 and name HD2 ))
2.292 0.657 0.657 peak 1425 weight 1.00000E+00 volume 3.86075E+06 ppm1 1.957 ppm2 3.216
ASSI { 1427}
(( segid " A" and resid 66 and name HN ))
( segid " A" and resid 66 and name HD# )
2.664 0.887 0.887 peak 1427 weight 1.00000E+00 volume 1.56593E+06 ppm1 3.216 ppm2 7.389
ASSI { 1439}
(( segid " A" and resid 66 and name HG1 ))
(( segid " A" and resid 66 and name HG2 ))
1.942 0.471 0.471 peak 1439 weight 1.00000E+00 volume 1.04338E+07 ppm1 1.533 ppm2 1.890
ASSI { 1442}
( segid " A" and resid 66 and name HD# )
(( segid " A" and resid 66 and name HG1 ))
2.222 0.617 0.617 peak 1442 weight 1.00000E+00 volume 4.64621E+06 ppm1 1.535 ppm2 3.225
ASSI { 1443}
( segid " A" and resid 66 and name HD# )
(( segid " A" and resid 66 and name HG2 ))
2.308 0.666 0.666 peak 1443 weight 1.00000E+00 volume 3.70572E+06 ppm1 1.869 ppm2 3.217
ASSI { 1445}
(( segid " A" and resid 66 and name HA ))
(( segid " A" and resid 66 and name HG1 ))
2.824 0.997 0.997 peak 1445 weight 1.00000E+00 volume 1.10333E+06 ppm1 1.527 ppm2 3.894
ASSI { 1406}
(( segid " A" and resid 66 and name HA ))
(( segid " A" and resid 66 and name HB1 ))
1.838 0.422 0.422 peak 1406 weight 1.00000E+00 volume 1.45149E+07 ppm1 3.914 ppm2 1.945
ASSI { 1648}
(( segid " A" and resid 66 and name HN ))
(( segid " A" and resid 66 and name HB2 ))
2.214 0.613 0.613 peak 1648 weight 1.00000E+00 volume 2.07275E+07 ppm1 7.392 ppm2 1.952
ASSI { 2540}
( segid " A" and resid 66 and name HD# )
(( segid " A" and resid 67 and name HN ))
3.198 1.278 1.278 peak 2540 weight 1.00000E+00 volume 2.49100E+07 ppm1 7.426 ppm2 3.210
ASSI { 2541}
(( segid " A" and resid 66 and name HG1 ))
(( segid " A" and resid 67 and name HN ))
2.972 1.104 1.104 peak 2541 weight 1.00000E+00 volume 3.86600E+07 ppm1 7.432 ppm2 1.517
ASSI { 1689}
(( segid " A" and resid 66 and name HA ))
(( segid " A" and resid 71 and name HN ))
3.167 1.254 1.254 peak 1689 weight 1.00000E+00 volume 2.63898E+07 ppm1 7.850 ppm2 3.895
ASSI { 2559}
(( segid " A" and resid 66 and name HG2 ))
(( segid " A" and resid 71 and name HN ))
3.118 1.215 1.215 peak 2559 weight 1.00000E+00 volume 2.89900E+07 ppm1 7.847 ppm2 1.883
ASSI { 1700}
(( segid " A" and resid 66 and name HA ))
(( segid " A" and resid 72 and name HN ))
2.797 0.978 0.978 peak 1700 weight 1.00000E+00 volume 5.56462E+07 ppm1 7.348 ppm2 3.908
ASSI { 1625}
(( segid " A" and resid 67 and name HG12))
(( segid " A" and resid 63 and name HE21))
3.608 1.627 1.627 peak 1625 weight 1.00000E+00 volume 1.20762E+07 ppm1 6.817 ppm2 1.779
ASSI { 1624}
(( segid " A" and resid 67 and name HG12))
(( segid " A" and resid 63 and name HE22))
3.324 1.381 1.381 peak 1624 weight 1.00000E+00 volume 1.97530E+07 ppm1 7.279 ppm2 1.789
ASSI { 1507}
( segid " A" and resid 67 and name HG2#)
(( segid " A" and resid 64 and name HA ))
2.563 0.821 0.821 peak 1507 weight 1.00000E+00 volume 1.97716E+06 ppm1 1.043 ppm2 4.071
OR { 1507}
( segid " A" and resid 67 and name HG2#)
(( segid " A" and resid 68 and name HA ))
ASSI { 1434}
(( segid " A" and resid 67 and name HG12))
(( segid " A" and resid 66 and name HD1 ))
2.152 0.579 0.579 peak 1434 weight 1.00000E+00 volume 5.63199E+06 ppm1 3.216 ppm2 1.792
ASSI { 1452}
(( segid " A" and resid 67 and name HA ))
(( segid " A" and resid 67 and name HB ))
2.675 0.894 0.894 peak 1452 weight 1.00000E+00 volume 2.45672E+05 ppm1 3.854 ppm2 2.058
ASSI { 1454}
(( segid " A" and resid 67 and name HG11))
(( segid " A" and resid 67 and name HA ))
2.632 0.866 0.866 peak 1454 weight 1.00000E+00 volume 1.68219E+06 ppm1 3.849 ppm2 1.300
ASSI { 736}
(( segid " A" and resid 67 and name HA ))
(( segid " A" and resid 67 and name HN ))
2.452 0.751 0.751 peak 736 weight 1.00000E+00 volume 1.22664E+08 ppm1 7.429 ppm2 3.844
ASSI { 1462}
(( segid " A" and resid 67 and name HG11))
(( segid " A" and resid 67 and name HB ))
2.562 0.821 0.821 peak 1462 weight 1.00000E+00 volume 1.37509E+06 ppm1 2.035 ppm2 1.289
ASSI { 1463}
( segid " A" and resid 67 and name HG2#)
(( segid " A" and resid 67 and name HB ))
2.134 0.569 0.569 peak 1463 weight 1.00000E+00 volume 4.83482E+06 ppm1 2.033 ppm2 1.031
ASSI { 516}
(( segid " A" and resid 67 and name HB ))
(( segid " A" and resid 67 and name HN ))
2.128 0.566 0.566 peak 516 weight 1.00000E+00 volume 2.86660E+08 ppm1 7.429 ppm2 2.001
ASSI { 1472}
(( segid " A" and resid 67 and name HG12))
( segid " A" and resid 67 and name HD1#)
1.981 0.491 0.491 peak 1472 weight 1.00000E+00 volume 9.24905E+06 ppm1 0.930 ppm2 1.807
ASSI { 1464}
(( segid " A" and resid 67 and name HB ))
( segid " A" and resid 67 and name HD1#)
2.072 0.537 0.537 peak 1464 weight 1.00000E+00 volume 4.21754E+06 ppm1 2.032 ppm2 0.931
ASSI { 1015}
(( segid " A" and resid 67 and name HG11))
(( segid " A" and resid 67 and name HG12))
2.005 0.502 0.502 peak 1015 weight 1.00000E+00 volume 8.62786E+06 ppm1 1.802 ppm2 1.311
ASSI { 1470}
(( segid " A" and resid 67 and name HG11))
( segid " A" and resid 67 and name HD1#)
1.987 0.494 0.494 peak 1470 weight 1.00000E+00 volume 9.09512E+06 ppm1 0.928 ppm2 1.289
ASSI { 1453}
(( segid " A" and resid 67 and name HG12))
(( segid " A" and resid 67 and name HA ))
2.329 0.678 0.678 peak 1453 weight 1.00000E+00 volume 3.50856E+06 ppm1 3.855 ppm2 1.782
ASSI { 1150}
(( segid " A" and resid 67 and name HG11))
(( segid " A" and resid 67 and name HN ))
2.543 0.809 0.809 peak 1150 weight 1.00000E+00 volume 9.84307E+07 ppm1 7.429 ppm2 1.285
ASSI { 1503}
(( segid " A" and resid 67 and name HG12))
( segid " A" and resid 67 and name HG2#)
2.224 0.618 0.618 peak 1503 weight 1.00000E+00 volume 4.63205E+06 ppm1 1.046 ppm2 1.810
ASSI { 1506}
( segid " A" and resid 67 and name HG2#)
(( segid " A" and resid 67 and name HA ))
2.331 0.679 0.679 peak 1506 weight 1.00000E+00 volume 3.49183E+06 ppm1 1.045 ppm2 3.850
ASSI { 1149}
(( segid " A" and resid 67 and name HG12))
(( segid " A" and resid 67 and name HN ))
2.318 0.671 0.671 peak 1149 weight 1.00000E+00 volume 1.71839E+08 ppm1 7.429 ppm2 1.792
ASSI { 1152}
(( segid " A" and resid 67 and name HN ))
( segid " A" and resid 67 and name HD1#)
2.538 0.805 0.805 peak 1152 weight 1.00000E+00 volume 9.96317E+07 ppm1 7.428 ppm2 0.906
ASSI { 3723}
( segid " A" and resid 67 and name HG2#)
(( segid " A" and resid 68 and name HA ))
2.563 0.821 0.821 peak 3723 weight 1.00000E+00 volume 1.97700E+06 ppm1 1.043 ppm2 4.071
ASSI { 74}
(( segid " A" and resid 67 and name HN ))
(( segid " A" and resid 68 and name HN ))
2.563 0.821 0.821 peak 74 weight 1.00000E+00 volume 9.39568E+07 ppm1 7.430 ppm2 8.692
ASSI { 517}
(( segid " A" and resid 67 and name HA ))
(( segid " A" and resid 68 and name HN ))
2.993 1.120 1.120 peak 517 weight 1.00000E+00 volume 3.70554E+07 ppm1 8.698 ppm2 3.866
ASSI { 1664}
( segid " A" and resid 67 and name HG2#)
(( segid " A" and resid 68 and name HN ))
2.539 0.806 0.806 peak 1664 weight 1.00000E+00 volume 9.93543E+07 ppm1 8.698 ppm2 1.092
ASSI { 2546}
(( segid " A" and resid 67 and name HB ))
(( segid " A" and resid 68 and name HN ))
2.514 0.790 0.790 peak 2546 weight 1.00000E+00 volume 1.05500E+08 ppm1 8.698 ppm2 2.000
ASSI { 2547}
(( segid " A" and resid 67 and name HG11))
(( segid " A" and resid 68 and name HN ))
2.996 1.122 1.122 peak 2547 weight 1.00000E+00 volume 3.68318E+07 ppm1 8.698 ppm2 1.291
ASSI { 3706}
(( segid " A" and resid 67 and name HA ))
( segid " A" and resid 71 and name HB# )
2.748 0.944 0.944 peak 3706 weight 1.00000E+00 volume 1.30000E+06 ppm1 3.854 ppm2 3.222
ASSI { 3733}
( segid " A" and resid 68 and name HD1#)
(( segid " A" and resid 21 and name HA ))
2.287 0.654 0.654 peak 3733 weight 1.00000E+00 volume 3.91600E+06 ppm1 0.649 ppm2 3.362
ASSI { 1371}
( segid " A" and resid 68 and name HD2#)
( segid " A" and resid 64 and name HD2#)
1.731 0.375 0.375 peak 1371 weight 1.00000E+00 volume 6.99843E+06 ppm1 0.862 ppm2 0.643
ASSI { 3684}
( segid " A" and resid 68 and name HD1#)
( segid " A" and resid 64 and name HD1#)
1.893 0.448 0.448 peak 3684 weight 1.00000E+00 volume 6.99800E+06 ppm1 0.862 ppm2 0.643
ASSI { 3731}
( segid " A" and resid 68 and name HD1#)
(( segid " A" and resid 64 and name HG ))
2.687 0.902 0.902 peak 3731 weight 1.00000E+00 volume 1.48800E+06 ppm1 0.647 ppm2 1.508
ASSI { 1549}
( segid " A" and resid 68 and name HD1#)
(( segid " A" and resid 65 and name HA2 ))
2.923 1.068 1.068 peak 1549 weight 1.00000E+00 volume 8.98016E+05 ppm1 0.649 ppm2 3.553
ASSI { 1779}
( segid " A" and resid 68 and name HD1#)
(( segid " A" and resid 65 and name HA1 ))
2.945 1.084 1.084 peak 1779 weight 1.00000E+00 volume 8.58744E+05 ppm1 0.603 ppm2 3.996
ASSI { 3720}
( segid " A" and resid 68 and name HD2#)
( segid " A" and resid 67 and name HG2#)
2.496 0.779 0.779 peak 3720 weight 1.00000E+00 volume 2.31700E+06 ppm1 1.047 ppm2 0.645
ASSI { 3727}
( segid " A" and resid 68 and name HD2#)
(( segid " A" and resid 67 and name HB ))
2.539 0.806 0.806 peak 3727 weight 1.00000E+00 volume 2.09000E+06 ppm1 0.620 ppm2 2.045
ASSI { 3732}
( segid " A" and resid 68 and name HD1#)
(( segid " A" and resid 67 and name HB ))
2.733 0.934 0.934 peak 3732 weight 1.00000E+00 volume 1.34400E+06 ppm1 0.646 ppm2 2.051
ASSI { 2544}
( segid " A" and resid 68 and name HD# )
(( segid " A" and resid 67 and name HN ))
3.487 1.520 1.520 peak 2544 weight 1.00000E+00 volume 1.48200E+07 ppm1 7.431 ppm2 0.637
ASSI { 701}
( segid " A" and resid 68 and name HD2#)
(( segid " A" and resid 68 and name HB2 ))
2.240 0.627 0.627 peak 701 weight 1.00000E+00 volume 1.86659E+06 ppm1 1.150 ppm2 0.627
ASSI { 1514}
(( segid " A" and resid 68 and name HB2 ))
(( segid " A" and resid 68 and name HA ))
2.431 0.739 0.739 peak 1514 weight 1.00000E+00 volume 2.71269E+06 ppm1 4.069 ppm2 1.164
ASSI { 1517}
(( segid " A" and resid 68 and name HB1 ))
(( segid " A" and resid 68 and name HN ))
2.720 0.925 0.925 peak 1517 weight 1.00000E+00 volume 1.38341E+06 ppm1 1.866 ppm2 8.697
ASSI { 1518}
(( segid " A" and resid 68 and name HB1 ))
(( segid " A" and resid 68 and name HA ))
2.618 0.857 0.857 peak 1518 weight 1.00000E+00 volume 1.73939E+06 ppm1 1.865 ppm2 4.070
ASSI { 1520}
(( segid " A" and resid 68 and name HB2 ))
(( segid " A" and resid 68 and name HB1 ))
2.309 0.666 0.666 peak 1520 weight 1.00000E+00 volume 3.69388E+06 ppm1 1.150 ppm2 1.866
ASSI { 1523}
( segid " A" and resid 68 and name HD2#)
(( segid " A" and resid 68 and name HB1 ))
2.330 0.679 0.679 peak 1523 weight 1.00000E+00 volume 3.49629E+06 ppm1 1.872 ppm2 0.637
ASSI { 1532}
( segid " A" and resid 68 and name HD2#)
(( segid " A" and resid 68 and name HG ))
2.059 0.530 0.530 peak 1532 weight 1.00000E+00 volume 7.35066E+06 ppm1 0.621 ppm2 1.831
ASSI { 1512}
( segid " A" and resid 68 and name HD2#)
(( segid " A" and resid 68 and name HA ))
2.078 0.540 0.540 peak 1512 weight 1.00000E+00 volume 6.93738E+06 ppm1 4.070 ppm2 0.633
ASSI { 1540}
( segid " A" and resid 68 and name HD2#)
(( segid " A" and resid 68 and name HN ))
2.575 0.829 0.829 peak 1540 weight 1.00000E+00 volume 1.92137E+06 ppm1 0.621 ppm2 8.682
ASSI { 1543}
( segid " A" and resid 68 and name HD1#)
(( segid " A" and resid 68 and name HB2 ))
2.398 0.719 0.719 peak 1543 weight 1.00000E+00 volume 2.94657E+06 ppm1 0.651 ppm2 1.114
ASSI { 1546}
( segid " A" and resid 68 and name HD1#)
(( segid " A" and resid 68 and name HG ))
2.024 0.512 0.512 peak 1546 weight 1.00000E+00 volume 8.15203E+06 ppm1 0.648 ppm2 1.822
ASSI { 1551}
( segid " A" and resid 68 and name HD1#)
(( segid " A" and resid 68 and name HA ))
2.561 0.820 0.820 peak 1551 weight 1.00000E+00 volume 1.98317E+06 ppm1 0.648 ppm2 4.070
ASSI { 1552}
( segid " A" and resid 68 and name HD1#)
(( segid " A" and resid 68 and name HN ))
2.592 0.840 0.840 peak 1552 weight 1.00000E+00 volume 1.84516E+06 ppm1 0.648 ppm2 8.676
ASSI { 1156}
(( segid " A" and resid 68 and name HN ))
(( segid " A" and resid 68 and name HA ))
2.546 0.810 0.810 peak 1156 weight 1.00000E+00 volume 9.77341E+07 ppm1 8.697 ppm2 4.054
ASSI { 76}
(( segid " A" and resid 68 and name HN ))
(( segid " A" and resid 69 and name HN ))
2.753 0.948 0.948 peak 76 weight 1.00000E+00 volume 6.11653E+07 ppm1 8.698 ppm2 8.378
ASSI { 2386}
(( segid " A" and resid 68 and name HA ))
(( segid " A" and resid 69 and name HN ))
3.086 1.190 1.190 peak 2386 weight 1.00000E+00 volume 3.08500E+07 ppm1 8.380 ppm2 4.056
ASSI { 2910}
(( segid " A" and resid 69 and name HB2 ))
(( segid " A" and resid 69 and name HB1 ))
1.747 0.382 0.382 peak 2910 weight 1.00000E+00 volume 1.96758E+07 ppm1 1.772 ppm2 1.940
ASSI { 737}
(( segid " A" and resid 69 and name HN ))
(( segid " A" and resid 69 and name HA ))
2.759 0.951 0.951 peak 737 weight 1.00000E+00 volume 6.04378E+07 ppm1 8.375 ppm2 3.890
ASSI { 738}
(( segid " A" and resid 69 and name HB2 ))
(( segid " A" and resid 69 and name HN ))
2.874 1.033 1.033 peak 738 weight 1.00000E+00 volume 4.72574E+07 ppm1 8.383 ppm2 1.715
ASSI { 519}
(( segid " A" and resid 69 and name HB2 ))
(( segid " A" and resid 70 and name HN ))
2.586 0.836 0.836 peak 519 weight 1.00000E+00 volume 8.91754E+07 ppm1 7.772 ppm2 1.742
ASSI { 1275}
(( segid " A" and resid 69 and name HB1 ))
(( segid " A" and resid 70 and name HN ))
2.781 0.967 0.967 peak 1275 weight 1.00000E+00 volume 5.75542E+07 ppm1 7.772 ppm2 1.960
ASSI { 125}
(( segid " A" and resid 69 and name HN ))
(( segid " A" and resid 70 and name HN ))
2.503 0.783 0.783 peak 125 weight 1.00000E+00 volume 1.08332E+08 ppm1 7.772 ppm2 8.379
ASSI { 1558}
(( segid " A" and resid 70 and name HB2 ))
(( segid " A" and resid 70 and name HA ))
2.805 0.983 0.983 peak 1558 weight 1.00000E+00 volume 1.14962E+06 ppm1 3.228 ppm2 4.805
ASSI { 739}
(( segid " A" and resid 70 and name HA ))
(( segid " A" and resid 70 and name HN ))
2.645 0.875 0.875 peak 739 weight 1.00000E+00 volume 7.77436E+07 ppm1 7.772 ppm2 4.795
ASSI { 740}
(( segid " A" and resid 70 and name HB2 ))
(( segid " A" and resid 70 and name HN ))
2.111 0.557 0.557 peak 740 weight 1.00000E+00 volume 3.01123E+08 ppm1 7.772 ppm2 3.191
ASSI { 298}
(( segid " A" and resid 70 and name HN ))
(( segid " A" and resid 71 and name HN ))
2.068 0.535 0.535 peak 298 weight 1.00000E+00 volume 3.40080E+08 ppm1 7.772 ppm2 7.841
ASSI { 442}
(( segid " A" and resid 70 and name HA ))
(( segid " A" and resid 71 and name HN ))
3.089 1.193 1.193 peak 442 weight 1.00000E+00 volume 3.06608E+07 ppm1 7.844 ppm2 4.786
ASSI { 744}
(( segid " A" and resid 71 and name HA ))
(( segid " A" and resid 70 and name HN ))
3.253 1.323 1.323 peak 744 weight 1.00000E+00 volume 2.24849E+07 ppm1 7.773 ppm2 4.410
ASSI { 3734}
( segid " A" and resid 71 and name HB# )
(( segid " A" and resid 71 and name HA ))
2.744 0.941 0.941 peak 3734 weight 1.00000E+00 volume 1.31200E+06 ppm1 3.236 ppm2 4.460
ASSI { 742}
(( segid " A" and resid 71 and name HA ))
(( segid " A" and resid 71 and name HN ))
2.822 0.995 0.995 peak 742 weight 1.00000E+00 volume 5.27376E+07 ppm1 7.846 ppm2 4.405
ASSI { 2268}
( segid " A" and resid 71 and name HB# )
(( segid " A" and resid 71 and name HN ))
2.499 0.780 0.780 peak 2268 weight 1.00000E+00 volume 1.09463E+08 ppm1 7.847 ppm2 3.223
ASSI { 128}
(( segid " A" and resid 72 and name HN ))
(( segid " A" and resid 70 and name HN ))
2.759 0.951 0.951 peak 128 weight 1.00000E+00 volume 6.04230E+07 ppm1 7.771 ppm2 7.375
ASSI { 295}
(( segid " A" and resid 72 and name HN ))
(( segid " A" and resid 71 and name HN ))
2.317 0.671 0.671 peak 295 weight 1.00000E+00 volume 1.71950E+08 ppm1 7.349 ppm2 7.844
ASSI { 618}
(( segid " A" and resid 72 and name HN ))
(( segid " A" and resid 71 and name HA ))
2.466 0.760 0.760 peak 618 weight 1.00000E+00 volume 1.18458E+08 ppm1 7.348 ppm2 4.406
ASSI { 2560}
( segid " A" and resid 72 and name HG2#)
(( segid " A" and resid 71 and name HN ))
2.913 1.061 1.061 peak 2560 weight 1.00000E+00 volume 4.36100E+07 ppm1 7.847 ppm2 0.958
ASSI { 1566}
(( segid " A" and resid 72 and name HB ))
(( segid " A" and resid 72 and name HA ))
2.757 0.950 0.950 peak 1566 weight 1.00000E+00 volume 1.27472E+06 ppm1 1.903 ppm2 4.997
ASSI { 1567}
(( segid " A" and resid 72 and name HB ))
(( segid " A" and resid 72 and name HN ))
2.789 0.973 0.973 peak 1567 weight 1.00000E+00 volume 1.18880E+06 ppm1 1.898 ppm2 7.375
ASSI { 1571}
( segid " A" and resid 72 and name HG1#)
(( segid " A" and resid 72 and name HA ))
2.163 0.585 0.585 peak 1571 weight 1.00000E+00 volume 5.47411E+06 ppm1 0.873 ppm2 4.990
ASSI { 1581}
( segid " A" and resid 72 and name HG2#)
(( segid " A" and resid 72 and name HB ))
2.044 0.522 0.522 peak 1581 weight 1.00000E+00 volume 7.67763E+06 ppm1 0.966 ppm2 1.895
ASSI { 3735}
( segid " A" and resid 72 and name HG1#)
(( segid " A" and resid 72 and name HB ))
2.048 0.524 0.524 peak 3735 weight 1.00000E+00 volume 7.59700E+06 ppm1 1.896 ppm2 0.914
ASSI { 3861}
( segid " A" and resid 72 and name HG2#)
(( segid " A" and resid 72 and name HA ))
2.761 0.953 0.953 peak 3861 weight 1.00000E+00 volume 1.26300E+06 ppm1 0.996 ppm2 4.997
ASSI { 746}
(( segid " A" and resid 72 and name HA ))
(( segid " A" and resid 72 and name HN ))
2.546 0.810 0.810 peak 746 weight 1.00000E+00 volume 9.78262E+07 ppm1 7.348 ppm2 4.969
ASSI { 2571}
( segid " A" and resid 72 and name HG2#)
(( segid " A" and resid 72 and name HN ))
2.266 0.642 0.642 peak 2571 weight 1.00000E+00 volume 1.96600E+08 ppm1 7.348 ppm2 0.950
ASSI { 2579}
( segid " A" and resid 72 and name HG1#)
(( segid " A" and resid 73 and name HN ))
2.185 0.597 0.597 peak 2579 weight 1.00000E+00 volume 2.44500E+08 ppm1 9.381 ppm2 0.856
ASSI { 1619}
(( segid " A" and resid 72 and name HA ))
( segid " A" and resid 73 and name HG2#)
2.595 0.842 0.842 peak 1619 weight 1.00000E+00 volume 1.83362E+06 ppm1 1.154 ppm2 4.982
ASSI { 292}
(( segid " A" and resid 72 and name HN ))
(( segid " A" and resid 73 and name HN ))
3.162 1.250 1.250 peak 292 weight 1.00000E+00 volume 2.66348E+07 ppm1 9.375 ppm2 7.349
ASSI { 522}
(( segid " A" and resid 72 and name HA ))
(( segid " A" and resid 73 and name HN ))
2.257 0.637 0.637 peak 522 weight 1.00000E+00 volume 2.01489E+08 ppm1 9.381 ppm2 4.965
ASSI { 2575}
(( segid " A" and resid 72 and name HB ))
(( segid " A" and resid 73 and name HN ))
3.001 1.125 1.125 peak 2575 weight 1.00000E+00 volume 3.65000E+07 ppm1 9.380 ppm2 1.900
ASSI { 2578}
( segid " A" and resid 72 and name HG2#)
(( segid " A" and resid 73 and name HN ))
2.630 0.864 0.864 peak 2578 weight 1.00000E+00 volume 8.05700E+07 ppm1 9.384 ppm2 0.972
ASSI { 2439}
( segid " A" and resid 73 and name HG2#)
(( segid " A" and resid 39 and name HN ))
3.250 1.321 1.321 peak 2439 weight 1.00000E+00 volume 2.25900E+07 ppm1 9.224 ppm2 1.127
ASSI { 1598}
(( segid " A" and resid 73 and name HB ))
( segid " A" and resid 73 and name HG1#)
1.691 0.357 0.357 peak 1598 weight 1.00000E+00 volume 2.39755E+07 ppm1 0.891 ppm2 2.042
ASSI { 1597}
( segid " A" and resid 73 and name HG2#)
( segid " A" and resid 73 and name HG1#)
1.704 0.363 0.363 peak 1597 weight 1.00000E+00 volume 2.28419E+07 ppm1 0.874 ppm2 1.146
ASSI { 1594}
(( segid " A" and resid 73 and name HB ))
( segid " A" and resid 73 and name HG2#)
2.044 0.522 0.522 peak 1594 weight 1.00000E+00 volume 3.16762E+06 ppm1 2.033 ppm2 1.169
ASSI { 2685}
(( segid " A" and resid 73 and name HB ))
(( segid " A" and resid 73 and name HA ))
2.385 0.711 0.711 peak 2685 weight 1.00000E+00 volume 3.04000E+06 ppm1 2.057 ppm2 4.392
ASSI { 747}
(( segid " A" and resid 73 and name HN ))
(( segid " A" and resid 73 and name HA ))
2.890 1.044 1.044 peak 747 weight 1.00000E+00 volume 4.57294E+07 ppm1 9.381 ppm2 4.402
ASSI { 2574}
(( segid " A" and resid 73 and name HN ))
(( segid " A" and resid 73 and name HB ))
2.570 0.825 0.825 peak 2574 weight 1.00000E+00 volume 9.25000E+07 ppm1 9.380 ppm2 2.010
ASSI { 2577}
(( segid " A" and resid 73 and name HN ))
( segid " A" and resid 73 and name HG2#)
2.848 1.014 1.014 peak 2577 weight 1.00000E+00 volume 4.98800E+07 ppm1 9.384 ppm2 1.137
ASSI { 2580}
(( segid " A" and resid 73 and name HB ))
(( segid " A" and resid 74 and name HN ))
3.157 1.245 1.245 peak 2580 weight 1.00000E+00 volume 2.69300E+07 ppm1 9.303 ppm2 2.013
ASSI { 2583}
( segid " A" and resid 73 and name HG1#)
(( segid " A" and resid 74 and name HN ))
2.457 0.755 0.755 peak 2583 weight 1.00000E+00 volume 1.21100E+08 ppm1 9.304 ppm2 0.858
ASSI { 4279}
( segid " A" and resid 73 and name HG2#)
( segid " A" and resid 77 and name HE# )
1.980 0.490 0.490 peak 4279 weight 1.00000E+00 volume 9.30490E+06 ppm1 1.157 ppm2 6.828
ASSI { 1864}
( segid " A" and resid 73 and name HG2#)
(( segid " A" and resid 91 and name HN ))
3.556 1.580 1.580 peak 1864 weight 1.00000E+00 volume 1.31794E+07 ppm1 9.589 ppm2 1.121
ASSI { 2678}
( segid " A" and resid 73 and name HG1#)
(( segid " A" and resid 91 and name HN ))
2.625 0.861 0.861 peak 2678 weight 1.00000E+00 volume 8.15000E+07 ppm1 9.591 ppm2 0.861
ASSI { 1435}
(( segid " A" and resid 74 and name HA ))
(( segid " A" and resid 36 and name HN ))
3.241 1.313 1.313 peak 1435 weight 1.00000E+00 volume 2.30023E+07 ppm1 8.473 ppm2 4.537
ASSI { 2429}
(( segid " A" and resid 74 and name HA ))
(( segid " A" and resid 37 and name HN ))
3.020 1.140 1.140 peak 2429 weight 1.00000E+00 volume 3.51300E+07 ppm1 9.582 ppm2 4.542
ASSI { 435}
(( segid " A" and resid 74 and name HN ))
(( segid " A" and resid 73 and name HA ))
2.171 0.589 0.589 peak 435 weight 1.00000E+00 volume 2.54709E+08 ppm1 9.303 ppm2 4.403
ASSI { 1627}
(( segid " A" and resid 74 and name HA ))
( segid " A" and resid 74 and name HB# )
1.943 0.472 0.472 peak 1627 weight 1.00000E+00 volume 1.03995E+07 ppm1 1.436 ppm2 4.567
ASSI { 749}
(( segid " A" and resid 74 and name HA ))
(( segid " A" and resid 74 and name HN ))
2.661 0.885 0.885 peak 749 weight 1.00000E+00 volume 7.50550E+07 ppm1 9.304 ppm2 4.540
ASSI { 750}
(( segid " A" and resid 74 and name HN ))
( segid " A" and resid 74 and name HB# )
2.000 0.500 0.500 peak 750 weight 1.00000E+00 volume 2.72598E+08 ppm1 9.303 ppm2 1.417
ASSI { 524}
(( segid " A" and resid 74 and name HA ))
(( segid " A" and resid 75 and name HN ))
2.095 0.549 0.549 peak 524 weight 1.00000E+00 volume 3.14911E+08 ppm1 7.929 ppm2 4.542
ASSI { 2279}
(( segid " A" and resid 74 and name HN ))
(( segid " A" and resid 91 and name HN ))
2.988 1.116 1.116 peak 2279 weight 1.00000E+00 volume 3.74400E+07 ppm1 9.304 ppm2 9.575
ASSI { 1733}
(( segid " A" and resid 75 and name HN ))
(( segid " A" and resid 35 and name HA ))
3.795 1.800 1.800 peak 1733 weight 1.00000E+00 volume 8.92427E+06 ppm1 7.929 ppm2 5.015
ASSI { 281}
(( segid " A" and resid 75 and name HN ))
(( segid " A" and resid 36 and name HN ))
3.231 1.305 1.305 peak 281 weight 1.00000E+00 volume 2.34269E+07 ppm1 7.929 ppm2 8.457
ASSI { 85}
(( segid " A" and resid 75 and name HN ))
(( segid " A" and resid 37 and name HN ))
2.984 1.113 1.113 peak 85 weight 1.00000E+00 volume 3.40424E+07 ppm1 9.582 ppm2 7.927
ASSI { 1626}
(( segid " A" and resid 75 and name HA1 ))
( segid " A" and resid 74 and name HB# )
2.898 1.050 1.050 peak 1626 weight 1.00000E+00 volume 9.44676E+05 ppm1 1.436 ppm2 3.095
ASSI { 158}
(( segid " A" and resid 75 and name HN ))
(( segid " A" and resid 74 and name HN ))
3.256 1.325 1.325 peak 158 weight 1.00000E+00 volume 2.23717E+07 ppm1 9.304 ppm2 7.924
ASSI { 523}
(( segid " A" and resid 75 and name HN ))
( segid " A" and resid 74 and name HB# )
2.222 0.617 0.617 peak 523 weight 1.00000E+00 volume 1.56714E+08 ppm1 7.929 ppm2 1.415
ASSI { 1029}
(( segid " A" and resid 75 and name HA1 ))
(( segid " A" and resid 75 and name HA2 ))
2.020 0.510 0.510 peak 1029 weight 1.00000E+00 volume 8.22979E+06 ppm1 3.097 ppm2 4.066
ASSI { 751}
(( segid " A" and resid 75 and name HN ))
(( segid " A" and resid 75 and name HA2 ))
2.473 0.765 0.765 peak 751 weight 1.00000E+00 volume 1.16424E+08 ppm1 7.929 ppm2 4.046
ASSI { 752}
(( segid " A" and resid 75 and name HN ))
(( segid " A" and resid 75 and name HA1 ))
2.485 0.772 0.772 peak 752 weight 1.00000E+00 volume 1.13211E+08 ppm1 7.929 ppm2 3.057
ASSI { 1732}
(( segid " A" and resid 75 and name HN ))
(( segid " A" and resid 121 and name HA1 ))
3.723 1.732 1.732 peak 1732 weight 1.00000E+00 volume 1.00068E+07 ppm1 7.935 ppm2 5.362
ASSI { 1654}
( segid " A" and resid 76 and name HB# )
(( segid " A" and resid 36 and name HN ))
2.361 0.697 0.697 peak 1654 weight 1.00000E+00 volume 3.23173E+06 ppm1 0.967 ppm2 8.453
OR { 1654}
( segid " A" and resid 76 and name HB# )
(( segid " A" and resid 77 and name HN ))
ASSI { 2428}
( segid " A" and resid 76 and name HB# )
(( segid " A" and resid 36 and name HN ))
2.732 0.933 0.933 peak 2428 weight 1.00000E+00 volume 6.40900E+07 ppm1 8.476 ppm2 0.945
ASSI { 2589}
(( segid " A" and resid 76 and name HN ))
(( segid " A" and resid 74 and name HA ))
3.517 1.546 1.546 peak 2589 weight 1.00000E+00 volume 1.40700E+07 ppm1 7.868 ppm2 4.529
ASSI { 1638}
(( segid " A" and resid 76 and name HN ))
(( segid " A" and resid 75 and name HA1 ))
2.266 0.642 0.642 peak 1638 weight 1.00000E+00 volume 4.13275E+06 ppm1 3.093 ppm2 7.870
ASSI { 612}
(( segid " A" and resid 76 and name HN ))
(( segid " A" and resid 75 and name HA2 ))
2.187 0.598 0.598 peak 612 weight 1.00000E+00 volume 2.43620E+08 ppm1 7.867 ppm2 4.050
ASSI { 1640}
( segid " A" and resid 76 and name HB# )
(( segid " A" and resid 76 and name HA ))
2.057 0.529 0.529 peak 1640 weight 1.00000E+00 volume 4.24295E+06 ppm1 4.121 ppm2 0.972
ASSI { 754}
( segid " A" and resid 76 and name HB# )
(( segid " A" and resid 76 and name HN ))
2.127 0.565 0.565 peak 754 weight 1.00000E+00 volume 2.67705E+08 ppm1 7.867 ppm2 0.950
ASSI { 753}
(( segid " A" and resid 76 and name HN ))
(( segid " A" and resid 76 and name HA ))
2.263 0.640 0.640 peak 753 weight 1.00000E+00 volume 1.98519E+08 ppm1 7.868 ppm2 4.097
ASSI { 526}
(( segid " A" and resid 76 and name HA ))
(( segid " A" and resid 77 and name HN ))
2.183 0.596 0.596 peak 526 weight 1.00000E+00 volume 2.46246E+08 ppm1 8.439 ppm2 4.097
ASSI { 276}
(( segid " A" and resid 76 and name HN ))
(( segid " A" and resid 77 and name HN ))
3.018 1.138 1.138 peak 276 weight 1.00000E+00 volume 3.52839E+07 ppm1 7.862 ppm2 8.437
ASSI { 3758}
( segid " A" and resid 76 and name HB# )
(( segid " A" and resid 121 and name HA2 ))
2.521 0.795 0.795 peak 3758 weight 1.00000E+00 volume 2.17900E+06 ppm1 0.971 ppm2 3.572
ASSI { 111}
( segid " A" and resid 77 and name HB# )
( segid " A" and resid 37 and name HG2#)
2.751 0.946 0.946 peak 111 weight 1.00000E+00 volume 1.29176E+06 ppm1 2.701 ppm2 1.019
ASSI { 3605}
(( segid " A" and resid 77 and name HB2 ))
( segid " A" and resid 37 and name HG2#)
2.486 0.773 0.773 peak 3605 weight 1.00000E+00 volume 2.36900E+06 ppm1 1.035 ppm2 2.719
ASSI { 1656}
(( segid " A" and resid 77 and name HB1 ))
(( segid " A" and resid 77 and name HN ))
2.679 0.897 0.897 peak 1656 weight 1.00000E+00 volume 1.51447E+06 ppm1 2.693 ppm2 8.426
ASSI { 757}
(( segid " A" and resid 77 and name HN ))
(( segid " A" and resid 77 and name HA ))
2.715 0.922 0.922 peak 757 weight 1.00000E+00 volume 6.64541E+07 ppm1 8.441 ppm2 4.935
ASSI { 759}
(( segid " A" and resid 77 and name HB2 ))
(( segid " A" and resid 77 and name HN ))
2.743 0.941 0.941 peak 759 weight 1.00000E+00 volume 6.24933E+07 ppm1 8.441 ppm2 2.800
ASSI { 530}
(( segid " A" and resid 77 and name HB2 ))
(( segid " A" and resid 78 and name HN ))
3.150 1.240 1.240 peak 530 weight 1.00000E+00 volume 2.72726E+07 ppm1 9.087 ppm2 2.841
ASSI { 1692}
(( segid " A" and resid 77 and name HB1 ))
(( segid " A" and resid 81 and name HB1 ))
2.117 0.560 0.560 peak 1692 weight 1.00000E+00 volume 6.21655E+06 ppm1 2.913 ppm2 2.691
ASSI { 1665}
(( segid " A" and resid 77 and name HB2 ))
( segid " A" and resid 82 and name HD2#)
2.711 0.919 0.919 peak 1665 weight 1.00000E+00 volume 1.41082E+06 ppm1 2.799 ppm2 0.744
ASSI { 3437}
(( segid " A" and resid 77 and name HB1 ))
( segid " A" and resid 82 and name HD2#)
2.491 0.775 0.775 peak 3437 weight 1.00000E+00 volume 2.34500E+06 ppm1 2.706 ppm2 0.756
ASSI { 3761}
(( segid " A" and resid 77 and name HB2 ))
(( segid " A" and resid 82 and name HG ))
2.719 0.924 0.924 peak 3761 weight 1.00000E+00 volume 1.38500E+06 ppm1 2.810 ppm2 1.738
ASSI { 3784}
(( segid " A" and resid 77 and name HB2 ))
( segid " A" and resid 82 and name HD1#)
2.887 1.042 1.042 peak 3784 weight 1.00000E+00 volume 9.67400E+05 ppm1 0.605 ppm2 2.778
ASSI { 2633}
(( segid " A" and resid 77 and name HB2 ))
(( segid " A" and resid 82 and name HN ))
3.230 1.304 1.304 peak 2633 weight 1.00000E+00 volume 2.34700E+07 ppm1 8.337 ppm2 2.666
ASSI { 1752}
(( segid " A" and resid 77 and name HN ))
(( segid " A" and resid 121 and name HA1 ))
3.284 1.348 1.348 peak 1752 weight 1.00000E+00 volume 2.12196E+07 ppm1 8.441 ppm2 5.560
ASSI { 2606}
(( segid " A" and resid 77 and name HN ))
( segid " A" and resid 122 and name HG2#)
3.176 1.261 1.261 peak 2606 weight 1.00000E+00 volume 2.59400E+07 ppm1 8.439 ppm2 0.355
ASSI { 382}
(( segid " A" and resid 78 and name HN ))
(( segid " A" and resid 77 and name HN ))
3.132 1.227 1.227 peak 382 weight 1.00000E+00 volume 2.81967E+07 ppm1 8.443 ppm2 9.086
ASSI { 531}
(( segid " A" and resid 78 and name HN ))
(( segid " A" and resid 77 and name HA ))
2.788 0.972 0.972 peak 531 weight 1.00000E+00 volume 5.66940E+07 ppm1 9.086 ppm2 4.932
ASSI { 607}
(( segid " A" and resid 78 and name HG1 ))
(( segid " A" and resid 78 and name HG2 ))
1.993 0.496 0.496 peak 607 weight 1.00000E+00 volume 4.79319E+06 ppm1 1.684 ppm2 1.214
ASSI { 1669}
(( segid " A" and resid 78 and name HG2 ))
(( segid " A" and resid 78 and name HB2 ))
2.622 0.859 0.859 peak 1669 weight 1.00000E+00 volume 1.72286E+06 ppm1 1.788 ppm2 1.248
ASSI { 1674}
(( segid " A" and resid 78 and name HB2 ))
(( segid " A" and resid 78 and name HA ))
2.813 0.989 0.989 peak 1674 weight 1.00000E+00 volume 1.12998E+06 ppm1 1.779 ppm2 4.579
ASSI { 1675}
(( segid " A" and resid 78 and name HB1 ))
(( segid " A" and resid 78 and name HA ))
2.502 0.783 0.783 peak 1675 weight 1.00000E+00 volume 2.28201E+06 ppm1 2.359 ppm2 4.582
ASSI { 1676}
(( segid " A" and resid 78 and name HN ))
(( segid " A" and resid 78 and name HB2 ))
2.798 0.979 0.979 peak 1676 weight 1.00000E+00 volume 1.16703E+06 ppm1 1.779 ppm2 9.087
ASSI { 1679}
(( segid " A" and resid 78 and name HG2 ))
(( segid " A" and resid 78 and name HD2 ))
2.139 0.572 0.572 peak 1679 weight 1.00000E+00 volume 5.84116E+06 ppm1 1.709 ppm2 1.219
ASSI { 1681}
(( segid " A" and resid 78 and name HB1 ))
( segid " A" and resid 78 and name HD# )
2.389 0.714 0.714 peak 1681 weight 1.00000E+00 volume 3.00783E+06 ppm1 1.708 ppm2 2.364
ASSI { 1682}
(( segid " A" and resid 78 and name HA ))
(( segid " A" and resid 78 and name HD1 ))
2.663 0.886 0.886 peak 1682 weight 1.00000E+00 volume 1.57093E+06 ppm1 1.711 ppm2 4.595
ASSI { 1684}
(( segid " A" and resid 78 and name HN ))
(( segid " A" and resid 78 and name HD1 ))
2.689 0.904 0.904 peak 1684 weight 1.00000E+00 volume 1.48200E+06 ppm1 1.712 ppm2 9.091
ASSI { 1691}
(( segid " A" and resid 78 and name HG1 ))
( segid " A" and resid 78 and name HE# )
1.709 0.365 0.365 peak 1691 weight 1.00000E+00 volume 2.24360E+07 ppm1 2.910 ppm2 1.686
ASSI { 1700}
(( segid " A" and resid 78 and name HG2 ))
(( segid " A" and resid 78 and name HB1 ))
2.891 1.045 1.045 peak 1700 weight 1.00000E+00 volume 9.58598E+05 ppm1 1.217 ppm2 2.363
ASSI { 1689}
(( segid " A" and resid 78 and name HG2 ))
( segid " A" and resid 78 and name HE# )
2.208 0.609 0.609 peak 1689 weight 1.00000E+00 volume 4.83067E+06 ppm1 2.907 ppm2 1.218
ASSI { 1703}
(( segid " A" and resid 78 and name HG1 ))
(( segid " A" and resid 78 and name HA ))
3.079 1.185 1.185 peak 1703 weight 1.00000E+00 volume 6.56979E+05 ppm1 1.671 ppm2 4.593
ASSI { 1704}
(( segid " A" and resid 78 and name HG2 ))
(( segid " A" and resid 78 and name HA ))
2.729 0.931 0.931 peak 1704 weight 1.00000E+00 volume 1.35381E+06 ppm1 1.210 ppm2 4.599
ASSI { 1672}
(( segid " A" and resid 78 and name HB1 ))
(( segid " A" and resid 78 and name HB2 ))
2.048 0.524 0.524 peak 1672 weight 1.00000E+00 volume 3.04866E+06 ppm1 1.786 ppm2 2.363
ASSI { 3771}
(( segid " A" and resid 78 and name HA ))
( segid " A" and resid 78 and name HE# )
2.520 0.794 0.794 peak 3771 weight 1.00000E+00 volume 2.18400E+06 ppm1 2.904 ppm2 4.560
ASSI { 1765}
(( segid " A" and resid 78 and name HN ))
(( segid " A" and resid 78 and name HG1 ))
2.971 1.103 1.103 peak 1765 weight 1.00000E+00 volume 3.87279E+07 ppm1 9.086 ppm2 1.685
OR { 1765}
(( segid " A" and resid 78 and name HN ))
(( segid " A" and resid 78 and name HD1 ))
ASSI { 532}
(( segid " A" and resid 78 and name HA ))
(( segid " A" and resid 79 and name HN ))
2.601 0.846 0.846 peak 532 weight 1.00000E+00 volume 8.59437E+07 ppm1 11.650 ppm2 4.578
ASSI { 533}
(( segid " A" and resid 78 and name HB2 ))
(( segid " A" and resid 79 and name HN ))
2.809 0.987 0.987 peak 533 weight 1.00000E+00 volume 5.41914E+07 ppm1 11.650 ppm2 1.763
ASSI { 2607}
(( segid " A" and resid 78 and name HN ))
(( segid " A" and resid 79 and name HN ))
3.446 1.484 1.484 peak 2607 weight 1.00000E+00 volume 1.59100E+07 ppm1 11.647 ppm2 9.097
ASSI { 2608}
(( segid " A" and resid 78 and name HB1 ))
(( segid " A" and resid 79 and name HN ))
2.704 0.914 0.914 peak 2608 weight 1.00000E+00 volume 6.81600E+07 ppm1 11.651 ppm2 2.349
ASSI { 1668}
(( segid " A" and resid 78 and name HB1 ))
( segid " A" and resid 80 and name HG2#)
2.509 0.787 0.787 peak 1668 weight 1.00000E+00 volume 2.24422E+06 ppm1 2.362 ppm2 1.243
ASSI { 1774}
(( segid " A" and resid 78 and name HA ))
(( segid " A" and resid 80 and name HN ))
3.010 1.132 1.132 peak 1774 weight 1.00000E+00 volume 3.58535E+07 ppm1 8.847 ppm2 4.581
ASSI { 2611}
(( segid " A" and resid 78 and name HN ))
(( segid " A" and resid 80 and name HN ))
3.257 1.326 1.326 peak 2611 weight 1.00000E+00 volume 2.23200E+07 ppm1 8.851 ppm2 9.078
ASSI { 2615}
(( segid " A" and resid 78 and name HB1 ))
(( segid " A" and resid 80 and name HN ))
2.772 0.960 0.960 peak 2615 weight 1.00000E+00 volume 5.87700E+07 ppm1 8.851 ppm2 2.347
ASSI { 2617}
(( segid " A" and resid 78 and name HB2 ))
(( segid " A" and resid 80 and name HN ))
2.702 0.912 0.912 peak 2617 weight 1.00000E+00 volume 6.85100E+07 ppm1 8.848 ppm2 1.761
ASSI { 2773}
(( segid " A" and resid 78 and name HA ))
(( segid " A" and resid 115 and name HN ))
3.166 1.253 1.253 peak 2773 weight 1.00000E+00 volume 2.64500E+07 ppm1 9.721 ppm2 4.573
ASSI { 1687}
( segid " A" and resid 78 and name HE# )
( segid " A" and resid 122 and name HG2#)
2.587 0.837 0.837 peak 1687 weight 1.00000E+00 volume 1.22583E+06 ppm1 2.907 ppm2 0.392
ASSI { 1698}
(( segid " A" and resid 78 and name HG1 ))
( segid " A" and resid 122 and name HD1#)
2.022 0.511 0.511 peak 1698 weight 1.00000E+00 volume 1.97624E+06 ppm1 1.677 ppm2 0.657
ASSI { 4007}
(( segid " A" and resid 78 and name HG2 ))
( segid " A" and resid 122 and name HD1#)
2.255 0.635 0.635 peak 4007 weight 1.00000E+00 volume 4.26300E+06 ppm1 0.652 ppm2 1.216
ASSI { 4021}
(( segid " A" and resid 78 and name HA ))
( segid " A" and resid 122 and name HG2#)
2.368 0.701 0.701 peak 4021 weight 1.00000E+00 volume 3.17600E+06 ppm1 0.376 ppm2 4.604
ASSI { 1706}
(( segid " A" and resid 79 and name HA ))
( segid " A" and resid 79 and name HB# )
1.985 0.493 0.493 peak 1706 weight 1.00000E+00 volume 6.47548E+06 ppm1 3.736 ppm2 1.458
ASSI { 764}
(( segid " A" and resid 79 and name HA ))
(( segid " A" and resid 79 and name HN ))
2.953 1.090 1.090 peak 764 weight 1.00000E+00 volume 4.01963E+07 ppm1 11.648 ppm2 3.714
ASSI { 765}
( segid " A" and resid 79 and name HB# )
(( segid " A" and resid 79 and name HN ))
2.416 0.730 0.730 peak 765 weight 1.00000E+00 volume 1.33790E+08 ppm1 11.651 ppm2 1.440
ASSI { 534}
( segid " A" and resid 79 and name HB# )
(( segid " A" and resid 80 and name HN ))
2.252 0.634 0.634 peak 534 weight 1.00000E+00 volume 1.81488E+08 ppm1 8.850 ppm2 1.437
ASSI { 535}
(( segid " A" and resid 79 and name HA ))
(( segid " A" and resid 80 and name HN ))
3.049 1.162 1.162 peak 535 weight 1.00000E+00 volume 3.31518E+07 ppm1 8.851 ppm2 3.727
ASSI { 2366}
(( segid " A" and resid 79 and name HA ))
( segid " A" and resid 104 and name HD1#)
2.046 0.523 0.523 peak 2366 weight 1.00000E+00 volume 4.13241E+06 ppm1 0.623 ppm2 3.727
ASSI { 2373}
( segid " A" and resid 79 and name HB# )
( segid " A" and resid 104 and name HD2#)
1.755 0.385 0.385 peak 2373 weight 1.00000E+00 volume 1.91394E+07 ppm1 0.723 ppm2 1.444
ASSI { 3983}
(( segid " A" and resid 79 and name HA ))
( segid " A" and resid 114 and name HB# )
3.030 1.147 1.147 peak 3983 weight 1.00000E+00 volume 7.24000E+05 ppm1 1.491 ppm2 3.728
ASSI { 385}
(( segid " A" and resid 80 and name HN ))
(( segid " A" and resid 79 and name HN ))
3.287 1.351 1.351 peak 385 weight 1.00000E+00 volume 2.11051E+07 ppm1 11.655 ppm2 8.832
ASSI { 767}
(( segid " A" and resid 80 and name HA ))
(( segid " A" and resid 80 and name HN ))
2.379 0.707 0.707 peak 767 weight 1.00000E+00 volume 1.25525E+08 ppm1 8.850 ppm2 3.886
ASSI { 1719}
(( segid " A" and resid 80 and name HA ))
(( segid " A" and resid 80 and name HB ))
1.954 0.477 0.477 peak 1719 weight 1.00000E+00 volume 5.39024E+06 ppm1 3.902 ppm2 4.084
ASSI { 766}
(( segid " A" and resid 80 and name HB ))
(( segid " A" and resid 80 and name HN ))
2.272 0.645 0.645 peak 766 weight 1.00000E+00 volume 1.34199E+08 ppm1 8.850 ppm2 4.065
ASSI { 1733}
( segid " A" and resid 80 and name HG2#)
(( segid " A" and resid 80 and name HB ))
1.796 0.403 0.403 peak 1733 weight 1.00000E+00 volume 9.10724E+06 ppm1 4.092 ppm2 1.261
ASSI { 934}
( segid " A" and resid 80 and name HG2#)
(( segid " A" and resid 80 and name HN ))
2.039 0.520 0.520 peak 934 weight 1.00000E+00 volume 1.59067E+08 ppm1 8.850 ppm2 1.246
ASSI { 2612}
(( segid " A" and resid 80 and name HN ))
(( segid " A" and resid 82 and name HN ))
3.597 1.617 1.617 peak 2612 weight 1.00000E+00 volume 1.23000E+07 ppm1 8.848 ppm2 8.333
ASSI { 3791}
(( segid " A" and resid 80 and name HA ))
(( segid " A" and resid 83 and name HB1 ))
2.401 0.721 0.721 peak 3791 weight 1.00000E+00 volume 2.92200E+06 ppm1 1.755 ppm2 3.920
ASSI { 2614}
(( segid " A" and resid 80 and name HN ))
(( segid " A" and resid 115 and name HB2 ))
3.444 1.483 1.483 peak 2614 weight 1.00000E+00 volume 1.59600E+07 ppm1 8.850 ppm2 2.866
ASSI { 486}
(( segid " A" and resid 81 and name HB1 ))
(( segid " A" and resid 78 and name HN ))
2.808 0.986 0.986 peak 486 weight 1.00000E+00 volume 1.14198E+06 ppm1 2.867 ppm2 9.085
ASSI { 1752}
(( segid " A" and resid 81 and name HB2 ))
(( segid " A" and resid 78 and name HN ))
2.839 1.007 1.007 peak 1752 weight 1.00000E+00 volume 1.07026E+06 ppm1 3.141 ppm2 9.077
ASSI { 2619}
(( segid " A" and resid 81 and name HN ))
(( segid " A" and resid 78 and name HN ))
2.827 0.999 0.999 peak 2619 weight 1.00000E+00 volume 5.22400E+07 ppm1 7.016 ppm2 9.078
ASSI { 2625}
(( segid " A" and resid 81 and name HN ))
(( segid " A" and resid 78 and name HB1 ))
2.948 1.086 1.086 peak 2625 weight 1.00000E+00 volume 4.06200E+07 ppm1 7.015 ppm2 2.350
ASSI { 2623}
(( segid " A" and resid 81 and name HN ))
(( segid " A" and resid 79 and name HA ))
3.177 1.261 1.261 peak 2623 weight 1.00000E+00 volume 2.59300E+07 ppm1 7.015 ppm2 3.724
ASSI { 536}
(( segid " A" and resid 81 and name HN ))
(( segid " A" and resid 80 and name HA ))
2.711 0.919 0.919 peak 536 weight 1.00000E+00 volume 6.18736E+07 ppm1 7.016 ppm2 3.885
ASSI { 224}
(( segid " A" and resid 81 and name HN ))
(( segid " A" and resid 80 and name HN ))
2.457 0.755 0.755 peak 224 weight 1.00000E+00 volume 8.50836E+07 ppm1 8.850 ppm2 7.018
ASSI { 933}
(( segid " A" and resid 81 and name HN ))
( segid " A" and resid 80 and name HG2#)
2.326 0.676 0.676 peak 933 weight 1.00000E+00 volume 1.36310E+08 ppm1 7.016 ppm2 1.246
ASSI { 483}
(( segid " A" and resid 81 and name HB1 ))
(( segid " A" and resid 81 and name HA ))
2.439 0.744 0.744 peak 483 weight 1.00000E+00 volume 2.65917E+06 ppm1 2.868 ppm2 4.502
ASSI { 1751}
(( segid " A" and resid 81 and name HB2 ))
(( segid " A" and resid 81 and name HA ))
2.713 0.920 0.920 peak 1751 weight 1.00000E+00 volume 1.03054E+06 ppm1 4.501 ppm2 3.168
ASSI { 1753}
(( segid " A" and resid 81 and name HB2 ))
(( segid " A" and resid 81 and name HN ))
2.741 0.939 0.939 peak 1753 weight 1.00000E+00 volume 1.31933E+06 ppm1 3.137 ppm2 7.034
ASSI { 1756}
(( segid " A" and resid 81 and name HB1 ))
(( segid " A" and resid 81 and name HB2 ))
2.126 0.565 0.565 peak 1756 weight 1.00000E+00 volume 6.05820E+06 ppm1 2.873 ppm2 3.130
ASSI { 769}
(( segid " A" and resid 81 and name HA ))
(( segid " A" and resid 81 and name HN ))
2.417 0.730 0.730 peak 769 weight 1.00000E+00 volume 1.33546E+08 ppm1 7.015 ppm2 4.481
ASSI { 770}
(( segid " A" and resid 81 and name HB1 ))
(( segid " A" and resid 81 and name HN ))
2.384 0.710 0.710 peak 770 weight 1.00000E+00 volume 1.34315E+08 ppm1 7.015 ppm2 2.849
ASSI { 4}
(( segid " A" and resid 81 and name HN ))
(( segid " A" and resid 82 and name HN ))
2.235 0.625 0.625 peak 4 weight 1.00000E+00 volume 2.13451E+08 ppm1 7.016 ppm2 8.334
ASSI { 538}
(( segid " A" and resid 81 and name HA ))
(( segid " A" and resid 82 and name HN ))
3.110 1.209 1.209 peak 538 weight 1.00000E+00 volume 2.94638E+07 ppm1 8.338 ppm2 4.489
ASSI { 2628}
(( segid " A" and resid 81 and name HN ))
( segid " A" and resid 82 and name HD2#)
2.947 1.086 1.086 peak 2628 weight 1.00000E+00 volume 4.06600E+07 ppm1 7.015 ppm2 0.729
OR { 2628}
(( segid " A" and resid 81 and name HN ))
( segid " A" and resid 104 and name HD2#)
ASSI { 2629}
(( segid " A" and resid 81 and name HN ))
( segid " A" and resid 82 and name HD1#)
2.971 1.104 1.104 peak 2629 weight 1.00000E+00 volume 3.87100E+07 ppm1 7.017 ppm2 0.598
ASSI { 2632}
(( segid " A" and resid 81 and name HB1 ))
(( segid " A" and resid 82 and name HN ))
2.793 0.975 0.975 peak 2632 weight 1.00000E+00 volume 5.61600E+07 ppm1 8.339 ppm2 3.122
ASSI { 2620}
(( segid " A" and resid 81 and name HN ))
(( segid " A" and resid 83 and name HN ))
3.063 1.173 1.173 peak 2620 weight 1.00000E+00 volume 3.22500E+07 ppm1 7.016 ppm2 8.137
ASSI { 3800}
(( segid " A" and resid 81 and name HA ))
(( segid " A" and resid 84 and name HB1 ))
2.509 0.787 0.787 peak 3800 weight 1.00000E+00 volume 2.24600E+06 ppm1 1.947 ppm2 4.470
ASSI { 3801}
(( segid " A" and resid 81 and name HA ))
(( segid " A" and resid 84 and name HB2 ))
2.768 0.957 0.957 peak 3801 weight 1.00000E+00 volume 1.24600E+06 ppm1 2.010 ppm2 4.480
ASSI { 2621}
(( segid " A" and resid 81 and name HN ))
(( segid " A" and resid 84 and name HN ))
3.313 1.372 1.372 peak 2621 weight 1.00000E+00 volume 2.01400E+07 ppm1 7.015 ppm2 7.233
ASSI { 3045}
( segid " A" and resid 82 and name HD2#)
( segid " A" and resid 77 and name HD# )
2.113 0.558 0.558 peak 3045 weight 1.00000E+00 volume 6.28325E+06 ppm1 0.762 ppm2 6.839
ASSI { 2630}
(( segid " A" and resid 82 and name HN ))
(( segid " A" and resid 77 and name HA ))
3.481 1.514 1.514 peak 2630 weight 1.00000E+00 volume 1.49800E+07 ppm1 8.336 ppm2 4.936
ASSI { 3785}
( segid " A" and resid 82 and name HD1#)
(( segid " A" and resid 79 and name HA ))
2.236 0.625 0.625 peak 3785 weight 1.00000E+00 volume 4.48400E+06 ppm1 0.603 ppm2 3.735
ASSI { 1769}
(( segid " A" and resid 82 and name HB2 ))
(( segid " A" and resid 79 and name HN ))
3.123 1.219 1.219 peak 1769 weight 1.00000E+00 volume 2.86949E+07 ppm1 11.652 ppm2 1.210
OR { 1769}
(( segid " A" and resid 78 and name HG2 ))
(( segid " A" and resid 79 and name HN ))
ASSI { 1770}
( segid " A" and resid 82 and name HD1#)
(( segid " A" and resid 79 and name HN ))
3.131 1.226 1.226 peak 1770 weight 1.00000E+00 volume 2.82642E+07 ppm1 11.646 ppm2 0.623
OR { 1770}
( segid " A" and resid 104 and name HD1#)
(( segid " A" and resid 79 and name HN ))
ASSI { 2616}
(( segid " A" and resid 82 and name HB2 ))
(( segid " A" and resid 80 and name HN ))
3.524 1.552 1.552 peak 2616 weight 1.00000E+00 volume 1.39200E+07 ppm1 8.850 ppm2 1.950
ASSI { 599}
( segid " A" and resid 82 and name HD2#)
( segid " A" and resid 82 and name HD1#)
1.763 0.388 0.388 peak 599 weight 1.00000E+00 volume 1.36214E+07 ppm1 0.799 ppm2 0.622
ASSI { 1761}
(( segid " A" and resid 82 and name HB2 ))
(( segid " A" and resid 82 and name HB1 ))
2.511 0.788 0.788 peak 1761 weight 1.00000E+00 volume 1.84536E+06 ppm1 1.970 ppm2 1.263
ASSI { 1763}
( segid " A" and resid 82 and name HD1#)
(( segid " A" and resid 82 and name HB2 ))
2.269 0.643 0.643 peak 1763 weight 1.00000E+00 volume 2.77076E+06 ppm1 1.260 ppm2 0.628
ASSI { 1765}
(( segid " A" and resid 82 and name HB1 ))
(( segid " A" and resid 82 and name HA ))
2.664 0.887 0.887 peak 1765 weight 1.00000E+00 volume 1.56772E+06 ppm1 1.970 ppm2 3.759
ASSI { 1766}
(( segid " A" and resid 82 and name HB2 ))
(( segid " A" and resid 82 and name HA ))
2.825 0.997 0.997 peak 1766 weight 1.00000E+00 volume 1.10176E+06 ppm1 1.253 ppm2 3.754
ASSI { 2634}
(( segid " A" and resid 82 and name HB2 ))
(( segid " A" and resid 82 and name HN ))
2.610 0.852 0.852 peak 2634 weight 1.00000E+00 volume 8.42200E+07 ppm1 8.338 ppm2 1.955
ASSI { 1764}
( segid " A" and resid 82 and name HD1#)
(( segid " A" and resid 82 and name HB1 ))
2.419 0.732 0.732 peak 1764 weight 1.00000E+00 volume 2.79206E+06 ppm1 1.975 ppm2 0.632
ASSI { 1784}
(( segid " A" and resid 82 and name HN ))
(( segid " A" and resid 82 and name HG ))
2.762 0.953 0.953 peak 1784 weight 1.00000E+00 volume 1.26198E+06 ppm1 1.736 ppm2 8.333
ASSI { 1775}
( segid " A" and resid 82 and name HD1#)
(( segid " A" and resid 82 and name HG ))
2.313 0.669 0.669 peak 1775 weight 1.00000E+00 volume 3.65978E+06 ppm1 0.603 ppm2 1.746
ASSI { 1788}
( segid " A" and resid 82 and name HD2#)
(( segid " A" and resid 82 and name HG ))
2.552 0.814 0.814 peak 1788 weight 1.00000E+00 volume 2.02742E+06 ppm1 1.737 ppm2 0.747
ASSI { 3787}
(( segid " A" and resid 82 and name HA ))
(( segid " A" and resid 82 and name HG ))
2.888 1.042 1.042 peak 3787 weight 1.00000E+00 volume 9.65100E+05 ppm1 1.732 ppm2 3.745
ASSI { 1191}
( segid " A" and resid 82 and name HD1#)
(( segid " A" and resid 82 and name HN ))
2.558 0.818 0.818 peak 1191 weight 1.00000E+00 volume 9.51118E+07 ppm1 8.339 ppm2 0.597
ASSI { 2631}
(( segid " A" and resid 82 and name HA ))
(( segid " A" and resid 82 and name HN ))
2.491 0.776 0.776 peak 2631 weight 1.00000E+00 volume 1.11400E+08 ppm1 8.339 ppm2 3.736
ASSI { 2636}
( segid " A" and resid 82 and name HD2#)
(( segid " A" and resid 82 and name HN ))
2.587 0.837 0.837 peak 2636 weight 1.00000E+00 volume 8.88000E+07 ppm1 8.338 ppm2 0.733
ASSI { 3786}
( segid " A" and resid 82 and name HD1#)
(( segid " A" and resid 83 and name HN ))
2.939 1.080 1.080 peak 3786 weight 1.00000E+00 volume 8.68500E+05 ppm1 0.604 ppm2 8.131
ASSI { 7}
(( segid " A" and resid 82 and name HN ))
(( segid " A" and resid 83 and name HN ))
2.774 0.962 0.962 peak 7 weight 1.00000E+00 volume 5.84080E+07 ppm1 8.337 ppm2 8.138
ASSI { 2639}
(( segid " A" and resid 82 and name HB2 ))
(( segid " A" and resid 83 and name HN ))
2.068 0.535 0.535 peak 2639 weight 1.00000E+00 volume 3.40400E+08 ppm1 8.158 ppm2 1.952
ASSI { 2649}
(( segid " A" and resid 82 and name HB2 ))
(( segid " A" and resid 86 and name HN ))
3.366 1.416 1.416 peak 2649 weight 1.00000E+00 volume 1.83200E+07 ppm1 8.274 ppm2 1.179
OR { 2649}
(( segid " A" and resid 86 and name HN ))
(( segid " A" and resid 98 and name HG12))
ASSI { 1984}
(( segid " A" and resid 82 and name HA ))
( segid " A" and resid 88 and name HG2#)
2.633 0.867 0.867 peak 1984 weight 1.00000E+00 volume 1.68006E+06 ppm1 0.690 ppm2 3.726
ASSI { 3887}
(( segid " A" and resid 82 and name HB1 ))
( segid " A" and resid 98 and name HD1#)
2.773 0.961 0.961 peak 3887 weight 1.00000E+00 volume 1.23100E+06 ppm1 0.554 ppm2 1.924
ASSI { 3894}
(( segid " A" and resid 82 and name HB1 ))
( segid " A" and resid 98 and name HG2#)
2.268 0.643 0.643 peak 3894 weight 1.00000E+00 volume 4.10900E+06 ppm1 0.695 ppm2 1.979
ASSI { 2375}
(( segid " A" and resid 82 and name HB1 ))
( segid " A" and resid 104 and name HD2#)
2.402 0.721 0.721 peak 2375 weight 1.00000E+00 volume 2.91623E+06 ppm1 0.723 ppm2 1.955
ASSI { 3911}
(( segid " A" and resid 82 and name HB2 ))
( segid " A" and resid 104 and name HD1#)
2.576 0.830 0.830 peak 3911 weight 1.00000E+00 volume 1.91400E+06 ppm1 0.627 ppm2 1.983
ASSI { 1791}
(( segid " A" and resid 83 and name HA ))
(( segid " A" and resid 83 and name HG1 ))
2.270 0.644 0.644 peak 1791 weight 1.00000E+00 volume 4.09434E+06 ppm1 3.741 ppm2 1.442
ASSI { 1795}
(( segid " A" and resid 83 and name HG1 ))
(( segid " A" and resid 83 and name HB2 ))
2.112 0.558 0.558 peak 1795 weight 1.00000E+00 volume 6.30063E+06 ppm1 1.825 ppm2 1.439
ASSI { 1801}
(( segid " A" and resid 83 and name HA ))
(( segid " A" and resid 83 and name HB2 ))
2.271 0.645 0.645 peak 1801 weight 1.00000E+00 volume 4.08201E+06 ppm1 1.825 ppm2 3.733
ASSI { 1806}
(( segid " A" and resid 83 and name HB2 ))
(( segid " A" and resid 83 and name HN ))
2.275 0.647 0.647 peak 1806 weight 1.00000E+00 volume 4.04274E+06 ppm1 1.825 ppm2 8.142
ASSI { 937}
(( segid " A" and resid 83 and name HB1 ))
(( segid " A" and resid 83 and name HN ))
2.297 0.659 0.659 peak 937 weight 1.00000E+00 volume 6.37880E+07 ppm1 8.145 ppm2 1.752
ASSI { 1814}
( segid " A" and resid 83 and name HD# )
( segid " A" and resid 83 and name HE# )
1.976 0.488 0.488 peak 1814 weight 1.00000E+00 volume 9.39151E+06 ppm1 1.680 ppm2 2.929
ASSI { 1810}
( segid " A" and resid 83 and name HG# )
( segid " A" and resid 83 and name HD# )
1.747 0.382 0.382 peak 1810 weight 1.00000E+00 volume 1.96805E+07 ppm1 1.675 ppm2 1.435
ASSI { 1821}
( segid " A" and resid 83 and name HG# )
( segid " A" and resid 83 and name HE# )
2.387 0.712 0.712 peak 1821 weight 1.00000E+00 volume 3.02700E+06 ppm1 1.426 ppm2 2.942
ASSI { 936}
( segid " A" and resid 83 and name HG# )
(( segid " A" and resid 83 and name HN ))
3.182 1.266 1.266 peak 936 weight 1.00000E+00 volume 2.56570E+07 ppm1 8.150 ppm2 1.425
ASSI { 938}
(( segid " A" and resid 83 and name HA ))
(( segid " A" and resid 83 and name HN ))
2.933 1.075 1.075 peak 938 weight 1.00000E+00 volume 4.18260E+07 ppm1 8.148 ppm2 3.733
ASSI { 939}
(( segid " A" and resid 83 and name HA ))
(( segid " A" and resid 85 and name HN ))
2.971 1.104 1.104 peak 939 weight 1.00000E+00 volume 3.87017E+07 ppm1 8.107 ppm2 3.731
ASSI { 2646}
(( segid " A" and resid 83 and name HB1 ))
(( segid " A" and resid 86 and name HN ))
3.480 1.513 1.513 peak 2646 weight 1.00000E+00 volume 1.50100E+07 ppm1 8.274 ppm2 1.772
ASSI { 2648}
( segid " A" and resid 83 and name HG# )
(( segid " A" and resid 86 and name HN ))
3.152 1.242 1.242 peak 2648 weight 1.00000E+00 volume 2.71800E+07 ppm1 8.281 ppm2 1.412
ASSI { 3794}
(( segid " A" and resid 83 and name HG1 ))
( segid " A" and resid 98 and name HG2#)
2.156 0.581 0.581 peak 3794 weight 1.00000E+00 volume 5.57600E+06 ppm1 1.428 ppm2 0.715
ASSI { 1792}
(( segid " A" and resid 83 and name HA ))
( segid " A" and resid 98 and name HG2#)
2.125 0.564 0.564 peak 1792 weight 1.00000E+00 volume 4.82652E+06 ppm1 3.740 ppm2 0.695
ASSI { 2641}
(( segid " A" and resid 83 and name HN ))
( segid " A" and resid 98 and name HD1#)
3.357 1.408 1.408 peak 2641 weight 1.00000E+00 volume 1.86200E+07 ppm1 8.153 ppm2 0.511
ASSI { 2374}
(( segid " A" and resid 83 and name HD1 ))
( segid " A" and resid 104 and name HD2#)
2.091 0.547 0.547 peak 2374 weight 1.00000E+00 volume 6.69742E+06 ppm1 0.723 ppm2 1.703
ASSI { 2446}
( segid " A" and resid 83 and name HE# )
( segid " A" and resid 104 and name HD2#)
2.472 0.764 0.764 peak 2446 weight 1.00000E+00 volume 2.45218E+06 ppm1 2.976 ppm2 0.711
OR { 2446}
(( segid " A" and resid 96 and name HG11))
( segid " A" and resid 107 and name HE# )
ASSI { 3790}
(( segid " A" and resid 83 and name HB2 ))
( segid " A" and resid 104 and name HD2#)
2.367 0.700 0.700 peak 3790 weight 1.00000E+00 volume 3.18700E+06 ppm1 1.833 ppm2 0.730
ASSI { 1809}
(( segid " A" and resid 84 and name HN ))
(( segid " A" and resid 83 and name HB1 ))
2.656 0.882 0.882 peak 1809 weight 1.00000E+00 volume 1.59564E+06 ppm1 1.747 ppm2 7.217
ASSI { 3795}
(( segid " A" and resid 84 and name HN ))
( segid " A" and resid 83 and name HG# )
2.780 0.966 0.966 peak 3795 weight 1.00000E+00 volume 1.21300E+06 ppm1 1.430 ppm2 7.270
ASSI { 1422}
(( segid " A" and resid 84 and name HB1 ))
(( segid " A" and resid 84 and name HN ))
2.279 0.649 0.649 peak 1422 weight 1.00000E+00 volume 3.99230E+06 ppm1 1.944 ppm2 7.239
ASSI { 1827}
(( segid " A" and resid 84 and name HG1 ))
(( segid " A" and resid 84 and name HA ))
2.297 0.659 0.659 peak 1827 weight 1.00000E+00 volume 3.81500E+06 ppm1 4.036 ppm2 1.706
ASSI { 1830}
(( segid " A" and resid 84 and name HD1 ))
(( segid " A" and resid 84 and name HA ))
2.784 0.969 0.969 peak 1830 weight 1.00000E+00 volume 1.20115E+06 ppm1 4.035 ppm2 3.248
ASSI { 1832}
(( segid " A" and resid 84 and name HN ))
(( segid " A" and resid 84 and name HA ))
2.277 0.648 0.648 peak 1832 weight 1.00000E+00 volume 4.01531E+06 ppm1 4.033 ppm2 7.236
ASSI { 1842}
(( segid " A" and resid 84 and name HB2 ))
(( segid " A" and resid 84 and name HG2 ))
2.278 0.648 0.648 peak 1842 weight 1.00000E+00 volume 4.00982E+06 ppm1 2.014 ppm2 1.564
ASSI { 1845}
(( segid " A" and resid 84 and name HB2 ))
(( segid " A" and resid 84 and name HA ))
2.436 0.742 0.742 peak 1845 weight 1.00000E+00 volume 2.67975E+06 ppm1 2.019 ppm2 4.027
ASSI { 1846}
(( segid " A" and resid 84 and name HB1 ))
(( segid " A" and resid 84 and name HA ))
2.245 0.630 0.630 peak 1846 weight 1.00000E+00 volume 4.36831E+06 ppm1 1.948 ppm2 4.033
ASSI { 1851}
(( segid " A" and resid 84 and name HB2 ))
(( segid " A" and resid 84 and name HN ))
2.386 0.712 0.712 peak 1851 weight 1.00000E+00 volume 3.03175E+06 ppm1 2.015 ppm2 7.243
ASSI { 1856}
(( segid " A" and resid 84 and name HD1 ))
(( segid " A" and resid 84 and name HD2 ))
1.621 0.329 0.329 peak 1856 weight 1.00000E+00 volume 3.08443E+07 ppm1 3.319 ppm2 3.222
ASSI { 1860}
(( segid " A" and resid 84 and name HD2 ))
(( segid " A" and resid 84 and name HG1 ))
2.152 0.579 0.579 peak 1860 weight 1.00000E+00 volume 5.63558E+06 ppm1 3.320 ppm2 1.729
ASSI { 1861}
(( segid " A" and resid 84 and name HD1 ))
(( segid " A" and resid 84 and name HG1 ))
2.143 0.574 0.574 peak 1861 weight 1.00000E+00 volume 5.77656E+06 ppm1 3.227 ppm2 1.737
ASSI { 1862}
(( segid " A" and resid 84 and name HB1 ))
(( segid " A" and resid 84 and name HD1 ))
2.151 0.578 0.578 peak 1862 weight 1.00000E+00 volume 5.65616E+06 ppm1 3.220 ppm2 1.946
ASSI { 1863}
(( segid " A" and resid 84 and name HB1 ))
(( segid " A" and resid 84 and name HD2 ))
2.383 0.710 0.710 peak 1863 weight 1.00000E+00 volume 3.05994E+06 ppm1 3.318 ppm2 1.948
ASSI { 1868}
(( segid " A" and resid 84 and name HG2 ))
(( segid " A" and resid 84 and name HG1 ))
1.792 0.401 0.401 peak 1868 weight 1.00000E+00 volume 1.45390E+07 ppm1 1.728 ppm2 1.566
ASSI { 1871}
(( segid " A" and resid 84 and name HB1 ))
(( segid " A" and resid 84 and name HG1 ))
2.133 0.569 0.569 peak 1871 weight 1.00000E+00 volume 5.94919E+06 ppm1 1.731 ppm2 1.951
ASSI { 1872}
(( segid " A" and resid 84 and name HB1 ))
(( segid " A" and resid 84 and name HG2 ))
2.108 0.556 0.556 peak 1872 weight 1.00000E+00 volume 6.37185E+06 ppm1 1.562 ppm2 1.968
ASSI { 1859}
(( segid " A" and resid 84 and name HD2 ))
(( segid " A" and resid 84 and name HG2 ))
2.111 0.557 0.557 peak 1859 weight 1.00000E+00 volume 5.04310E+06 ppm1 3.318 ppm2 1.554
ASSI { 1828}
(( segid " A" and resid 84 and name HG2 ))
(( segid " A" and resid 84 and name HA ))
2.355 0.693 0.693 peak 1828 weight 1.00000E+00 volume 3.27908E+06 ppm1 4.036 ppm2 1.582
ASSI { 1877}
(( segid " A" and resid 84 and name HN ))
(( segid " A" and resid 84 and name HG1 ))
2.749 0.945 0.945 peak 1877 weight 1.00000E+00 volume 1.29690E+06 ppm1 1.724 ppm2 7.227
ASSI { 3798}
(( segid " A" and resid 84 and name HA ))
(( segid " A" and resid 85 and name HN ))
2.619 0.857 0.857 peak 3798 weight 1.00000E+00 volume 1.73600E+06 ppm1 4.030 ppm2 8.127
ASSI { 274}
(( segid " A" and resid 84 and name HN ))
(( segid " A" and resid 85 and name HN ))
2.737 0.936 0.936 peak 274 weight 1.00000E+00 volume 6.33693E+07 ppm1 8.107 ppm2 7.234
ASSI { 443}
(( segid " A" and resid 84 and name HB1 ))
(( segid " A" and resid 85 and name HN ))
2.343 0.686 0.686 peak 443 weight 1.00000E+00 volume 1.60910E+08 ppm1 8.105 ppm2 1.918
ASSI { 1002}
(( segid " A" and resid 84 and name HB2 ))
(( segid " A" and resid 85 and name HN ))
2.343 0.686 0.686 peak 1002 weight 1.00000E+00 volume 1.60910E+08 ppm1 8.108 ppm2 2.032
ASSI { 1882}
(( segid " A" and resid 85 and name HA ))
(( segid " A" and resid 85 and name HG1 ))
2.252 0.634 0.634 peak 1882 weight 1.00000E+00 volume 4.28907E+06 ppm1 4.103 ppm2 2.466
ASSI { 1883}
(( segid " A" and resid 85 and name HB2 ))
(( segid " A" and resid 85 and name HA ))
2.287 0.654 0.654 peak 1883 weight 1.00000E+00 volume 3.91738E+06 ppm1 4.102 ppm2 2.239
ASSI { 1892}
(( segid " A" and resid 85 and name HB1 ))
(( segid " A" and resid 85 and name HB2 ))
2.003 0.501 0.501 peak 1892 weight 1.00000E+00 volume 8.67959E+06 ppm1 2.257 ppm2 1.948
ASSI { 1899}
(( segid " A" and resid 85 and name HB1 ))
(( segid " A" and resid 85 and name HA ))
2.741 0.939 0.939 peak 1899 weight 1.00000E+00 volume 1.32148E+06 ppm1 1.940 ppm2 4.095
ASSI { 2638}
(( segid " A" and resid 85 and name HB2 ))
(( segid " A" and resid 85 and name HN ))
2.729 0.931 0.931 peak 2638 weight 1.00000E+00 volume 6.18900E+07 ppm1 8.107 ppm2 2.251
ASSI { 1852}
(( segid " A" and resid 85 and name HB1 ))
(( segid " A" and resid 85 and name HN ))
2.350 0.690 0.690 peak 1852 weight 1.00000E+00 volume 3.32146E+06 ppm1 1.936 ppm2 8.082
ASSI { 1904}
(( segid " A" and resid 85 and name HG2 ))
(( segid " A" and resid 85 and name HG1 ))
1.977 0.489 0.489 peak 1904 weight 1.00000E+00 volume 8.98645E+06 ppm1 2.478 ppm2 2.631
ASSI { 1896}
(( segid " A" and resid 85 and name HB2 ))
(( segid " A" and resid 85 and name HG1 ))
2.295 0.658 0.658 peak 1896 weight 1.00000E+00 volume 2.30473E+06 ppm1 2.262 ppm2 2.455
ASSI { 1894}
(( segid " A" and resid 85 and name HB2 ))
(( segid " A" and resid 85 and name HG2 ))
2.451 0.751 0.751 peak 1894 weight 1.00000E+00 volume 1.68697E+06 ppm1 2.259 ppm2 2.622
ASSI { 1895}
(( segid " A" and resid 85 and name HB1 ))
(( segid " A" and resid 85 and name HG2 ))
2.460 0.756 0.756 peak 1895 weight 1.00000E+00 volume 1.56744E+06 ppm1 1.947 ppm2 2.640
ASSI { 1897}
(( segid " A" and resid 85 and name HB1 ))
(( segid " A" and resid 85 and name HG1 ))
2.289 0.655 0.655 peak 1897 weight 1.00000E+00 volume 1.14550E+06 ppm1 1.935 ppm2 2.459
ASSI { 1881}
(( segid " A" and resid 85 and name HA ))
(( segid " A" and resid 85 and name HG2 ))
2.357 0.695 0.695 peak 1881 weight 1.00000E+00 volume 3.26291E+06 ppm1 4.104 ppm2 2.652
ASSI { 945}
(( segid " A" and resid 85 and name HN ))
(( segid " A" and resid 85 and name HG2 ))
2.603 0.847 0.847 peak 945 weight 1.00000E+00 volume 8.56987E+07 ppm1 8.107 ppm2 2.612
ASSI { 444}
(( segid " A" and resid 85 and name HN ))
(( segid " A" and resid 85 and name HA ))
2.618 0.857 0.857 peak 444 weight 1.00000E+00 volume 8.26625E+07 ppm1 8.107 ppm2 4.076
ASSI { 944}
(( segid " A" and resid 85 and name HN ))
(( segid " A" and resid 85 and name HG1 ))
2.752 0.946 0.946 peak 944 weight 1.00000E+00 volume 6.02785E+07 ppm1 8.108 ppm2 2.462
ASSI { 238}
(( segid " A" and resid 85 and name HN ))
(( segid " A" and resid 86 and name HN ))
2.428 0.737 0.737 peak 238 weight 1.00000E+00 volume 1.30170E+08 ppm1 8.274 ppm2 8.103
ASSI { 943}
(( segid " A" and resid 85 and name HG2 ))
(( segid " A" and resid 86 and name HN ))
3.060 1.171 1.171 peak 943 weight 1.00000E+00 volume 3.24194E+07 ppm1 8.274 ppm2 2.616
ASSI { 2643}
(( segid " A" and resid 85 and name HA ))
(( segid " A" and resid 86 and name HN ))
2.704 0.914 0.914 peak 2643 weight 1.00000E+00 volume 6.51400E+07 ppm1 8.273 ppm2 4.073
ASSI { 2644}
(( segid " A" and resid 85 and name HB2 ))
(( segid " A" and resid 86 and name HN ))
2.719 0.924 0.924 peak 2644 weight 1.00000E+00 volume 6.59300E+07 ppm1 8.273 ppm2 2.244
ASSI { 2645}
(( segid " A" and resid 85 and name HB1 ))
(( segid " A" and resid 86 and name HN ))
2.534 0.802 0.802 peak 2645 weight 1.00000E+00 volume 1.00700E+08 ppm1 8.274 ppm2 1.937
ASSI { 2652}
(( segid " A" and resid 85 and name HB2 ))
(( segid " A" and resid 87 and name HN ))
2.476 0.767 0.767 peak 2652 weight 1.00000E+00 volume 1.15500E+08 ppm1 7.355 ppm2 2.244
ASSI { 2653}
(( segid " A" and resid 85 and name HB1 ))
(( segid " A" and resid 87 and name HN ))
2.547 0.811 0.811 peak 2653 weight 1.00000E+00 volume 9.76500E+07 ppm1 7.355 ppm2 1.939
ASSI { 1916}
(( segid " A" and resid 86 and name HA1 ))
(( segid " A" and resid 86 and name HA2 ))
2.065 0.533 0.533 peak 1916 weight 1.00000E+00 volume 7.21682E+06 ppm1 4.286 ppm2 3.674
ASSI { 771}
(( segid " A" and resid 86 and name HN ))
(( segid " A" and resid 86 and name HA1 ))
2.301 0.662 0.662 peak 771 weight 1.00000E+00 volume 1.79432E+08 ppm1 8.275 ppm2 4.266
ASSI { 772}
(( segid " A" and resid 86 and name HN ))
(( segid " A" and resid 86 and name HA2 ))
2.216 0.614 0.614 peak 772 weight 1.00000E+00 volume 2.24746E+08 ppm1 8.274 ppm2 3.663
ASSI { 241}
(( segid " A" and resid 86 and name HN ))
(( segid " A" and resid 87 and name HN ))
2.594 0.841 0.841 peak 241 weight 1.00000E+00 volume 6.72069E+07 ppm1 8.273 ppm2 7.355
ASSI { 613}
(( segid " A" and resid 86 and name HA1 ))
(( segid " A" and resid 87 and name HN ))
2.498 0.780 0.780 peak 613 weight 1.00000E+00 volume 1.09625E+08 ppm1 7.355 ppm2 4.265
ASSI { 614}
(( segid " A" and resid 86 and name HA2 ))
(( segid " A" and resid 87 and name HN ))
2.607 0.850 0.850 peak 614 weight 1.00000E+00 volume 8.47722E+07 ppm1 7.355 ppm2 3.665
ASSI { 2642}
(( segid " A" and resid 86 and name HN ))
(( segid " A" and resid 87 and name HA ))
3.508 1.538 1.538 peak 2642 weight 1.00000E+00 volume 1.42900E+07 ppm1 8.272 ppm2 4.977
ASSI { 2208}
(( segid " A" and resid 86 and name HA1 ))
(( segid " A" and resid 98 and name HB ))
2.838 1.007 1.007 peak 2208 weight 1.00000E+00 volume 1.07208E+06 ppm1 1.625 ppm2 4.287
ASSI { 3886}
(( segid " A" and resid 86 and name HA2 ))
(( segid " A" and resid 98 and name HB ))
2.492 0.776 0.776 peak 3886 weight 1.00000E+00 volume 2.34000E+06 ppm1 1.627 ppm2 3.682
ASSI { 1917}
(( segid " A" and resid 86 and name HA1 ))
(( segid " A" and resid 98 and name HN ))
3.180 1.264 1.264 peak 1917 weight 1.00000E+00 volume 2.57731E+07 ppm1 8.086 ppm2 4.269
ASSI { 2647}
(( segid " A" and resid 86 and name HN ))
(( segid " A" and resid 98 and name HB ))
2.756 0.950 0.950 peak 2647 weight 1.00000E+00 volume 6.07500E+07 ppm1 8.274 ppm2 1.607
ASSI { 2708}
(( segid " A" and resid 86 and name HA2 ))
(( segid " A" and resid 98 and name HN ))
3.039 1.154 1.154 peak 2708 weight 1.00000E+00 volume 3.38400E+07 ppm1 8.084 ppm2 3.677
ASSI { 1920}
(( segid " A" and resid 87 and name HA ))
(( segid " A" and resid 87 and name HB ))
2.144 0.575 0.575 peak 1920 weight 1.00000E+00 volume 5.76392E+06 ppm1 4.976 ppm2 1.854
ASSI { 1923}
(( segid " A" and resid 87 and name HB ))
(( segid " A" and resid 87 and name HG12))
2.321 0.673 0.673 peak 1923 weight 1.00000E+00 volume 3.53233E+06 ppm1 1.839 ppm2 1.406
ASSI { 1930}
(( segid " A" and resid 87 and name HG11))
( segid " A" and resid 87 and name HD1#)
1.708 0.365 0.365 peak 1930 weight 1.00000E+00 volume 2.25663E+07 ppm1 0.837 ppm2 1.022
ASSI { 1932}
(( segid " A" and resid 87 and name HG12))
( segid " A" and resid 87 and name HD1#)
1.843 0.425 0.425 peak 1932 weight 1.00000E+00 volume 1.42844E+07 ppm1 0.836 ppm2 1.388
ASSI { 1933}
(( segid " A" and resid 87 and name HB ))
( segid " A" and resid 87 and name HD1#)
1.966 0.483 0.483 peak 1933 weight 1.00000E+00 volume 9.70410E+06 ppm1 0.837 ppm2 1.836
ASSI { 1942}
(( segid " A" and resid 87 and name HG12))
(( segid " A" and resid 87 and name HG11))
1.879 0.441 0.441 peak 1942 weight 1.00000E+00 volume 1.27059E+07 ppm1 1.401 ppm2 1.035
ASSI { 1924}
(( segid " A" and resid 87 and name HB ))
(( segid " A" and resid 87 and name HG11))
2.376 0.706 0.706 peak 1924 weight 1.00000E+00 volume 3.11382E+06 ppm1 1.842 ppm2 1.027
ASSI { 1950}
(( segid " A" and resid 87 and name HA ))
(( segid " A" and resid 87 and name HG12))
2.464 0.759 0.759 peak 1950 weight 1.00000E+00 volume 2.50068E+06 ppm1 1.399 ppm2 4.960
ASSI { 1951}
(( segid " A" and resid 87 and name HA ))
(( segid " A" and resid 87 and name HG11))
2.805 0.983 0.983 peak 1951 weight 1.00000E+00 volume 1.15048E+06 ppm1 1.028 ppm2 4.979
ASSI { 1958}
(( segid " A" and resid 87 and name HG11))
( segid " A" and resid 87 and name HG2#)
1.878 0.441 0.441 peak 1958 weight 1.00000E+00 volume 1.27674E+07 ppm1 0.777 ppm2 1.024
ASSI { 1925}
(( segid " A" and resid 87 and name HB ))
( segid " A" and resid 87 and name HG2#)
1.922 0.462 0.462 peak 1925 weight 1.00000E+00 volume 1.10946E+07 ppm1 1.842 ppm2 0.803
ASSI { 1966}
(( segid " A" and resid 87 and name HA ))
( segid " A" and resid 87 and name HG2#)
2.350 0.690 0.690 peak 1966 weight 1.00000E+00 volume 3.32377E+06 ppm1 0.780 ppm2 4.976
ASSI { 773}
(( segid " A" and resid 87 and name HA ))
(( segid " A" and resid 87 and name HN ))
2.421 0.733 0.733 peak 773 weight 1.00000E+00 volume 1.32132E+08 ppm1 7.355 ppm2 4.971
ASSI { 774}
(( segid " A" and resid 87 and name HB ))
(( segid " A" and resid 87 and name HN ))
2.406 0.723 0.723 peak 774 weight 1.00000E+00 volume 1.37414E+08 ppm1 7.355 ppm2 1.837
ASSI { 948}
( segid " A" and resid 87 and name HG2#)
(( segid " A" and resid 87 and name HN ))
2.199 0.604 0.604 peak 948 weight 1.00000E+00 volume 2.35881E+08 ppm1 7.355 ppm2 0.766
ASSI { 1988}
(( segid " A" and resid 87 and name HA ))
( segid " A" and resid 88 and name HG2#)
2.653 0.880 0.880 peak 1988 weight 1.00000E+00 volume 1.60619E+06 ppm1 0.690 ppm2 4.967
ASSI { 2536}
(( segid " A" and resid 87 and name HN ))
( segid " A" and resid 88 and name HG2#)
2.733 0.934 0.934 peak 2536 weight 1.00000E+00 volume 1.34263E+06 ppm1 0.736 ppm2 7.343
ASSI { 2661}
(( segid " A" and resid 87 and name HG12))
(( segid " A" and resid 88 and name HN ))
2.497 0.779 0.779 peak 2661 weight 1.00000E+00 volume 1.06500E+08 ppm1 8.038 ppm2 1.383
ASSI { 3823}
( segid " A" and resid 87 and name HG2#)
(( segid " A" and resid 88 and name HA ))
2.481 0.770 0.770 peak 3823 weight 1.00000E+00 volume 2.39800E+06 ppm1 0.781 ppm2 4.656
ASSI { 2000}
(( segid " A" and resid 87 and name HA ))
( segid " A" and resid 88 and name HG1#)
2.464 0.759 0.759 peak 2000 weight 1.00000E+00 volume 2.50286E+06 ppm1 0.799 ppm2 4.990
ASSI { 248}
(( segid " A" and resid 87 and name HN ))
(( segid " A" and resid 88 and name HN ))
3.111 1.210 1.210 peak 248 weight 1.00000E+00 volume 2.93656E+07 ppm1 8.038 ppm2 7.343
ASSI { 541}
(( segid " A" and resid 87 and name HA ))
(( segid " A" and resid 88 and name HN ))
2.148 0.577 0.577 peak 541 weight 1.00000E+00 volume 2.71429E+08 ppm1 8.038 ppm2 4.971
ASSI { 777}
(( segid " A" and resid 87 and name HN ))
(( segid " A" and resid 88 and name HA ))
3.692 1.704 1.704 peak 777 weight 1.00000E+00 volume 1.05216E+07 ppm1 7.352 ppm2 4.624
ASSI { 949}
( segid " A" and resid 87 and name HG2#)
(( segid " A" and resid 88 and name HN ))
2.182 0.595 0.595 peak 949 weight 1.00000E+00 volume 2.47033E+08 ppm1 8.037 ppm2 0.782
ASSI { 1837}
(( segid " A" and resid 87 and name HG11))
(( segid " A" and resid 88 and name HN ))
2.596 0.843 0.843 peak 1837 weight 1.00000E+00 volume 7.71026E+07 ppm1 8.040 ppm2 1.016
ASSI { 2140}
( segid " A" and resid 87 and name HD1#)
(( segid " A" and resid 95 and name HB ))
2.191 0.600 0.600 peak 2140 weight 1.00000E+00 volume 2.91598E+06 ppm1 4.127 ppm2 0.816
ASSI { 3813}
(( segid " A" and resid 87 and name HG12))
(( segid " A" and resid 95 and name HB ))
3.013 1.135 1.135 peak 3813 weight 1.00000E+00 volume 7.48800E+05 ppm1 1.403 ppm2 4.127
ASSI { 3814}
(( segid " A" and resid 87 and name HG11))
(( segid " A" and resid 95 and name HB ))
2.472 0.764 0.764 peak 3814 weight 1.00000E+00 volume 2.45100E+06 ppm1 1.031 ppm2 4.118
ASSI { 2700}
(( segid " A" and resid 87 and name HG12))
(( segid " A" and resid 96 and name HN ))
2.997 1.123 1.123 peak 2700 weight 1.00000E+00 volume 2.91000E+07 ppm1 9.106 ppm2 1.383
ASSI { 2701}
(( segid " A" and resid 87 and name HG11))
(( segid " A" and resid 96 and name HN ))
2.945 1.084 1.084 peak 2701 weight 1.00000E+00 volume 2.78000E+07 ppm1 9.106 ppm2 1.016
ASSI { 3810}
( segid " A" and resid 87 and name HD1#)
(( segid " A" and resid 97 and name HA ))
2.381 0.708 0.708 peak 3810 weight 1.00000E+00 volume 3.07600E+06 ppm1 0.835 ppm2 4.852
ASSI { 3815}
(( segid " A" and resid 87 and name HG12))
(( segid " A" and resid 97 and name HA ))
2.623 0.860 0.860 peak 3815 weight 1.00000E+00 volume 1.71900E+06 ppm1 1.397 ppm2 4.876
ASSI { 4194}
( segid " A" and resid 87 and name HD1#)
( segid " A" and resid 97 and name HG# )
2.452 0.751 0.751 peak 4194 weight 1.00000E+00 volume 2.57655E+06 ppm1 0.843 ppm2 2.055
ASSI { 2651}
(( segid " A" and resid 87 and name HN ))
(( segid " A" and resid 97 and name HA ))
3.164 1.252 1.252 peak 2651 weight 1.00000E+00 volume 2.65300E+07 ppm1 7.357 ppm2 4.837
ASSI { 244}
(( segid " A" and resid 87 and name HN ))
(( segid " A" and resid 98 and name HN ))
2.649 0.877 0.877 peak 244 weight 1.00000E+00 volume 7.71220E+07 ppm1 7.354 ppm2 8.066
ASSI { 1828}
(( segid " A" and resid 87 and name HN ))
(( segid " A" and resid 98 and name HB ))
2.997 1.123 1.123 peak 1828 weight 1.00000E+00 volume 3.67389E+07 ppm1 7.354 ppm2 1.583
ASSI { 2655}
(( segid " A" and resid 87 and name HN ))
(( segid " A" and resid 98 and name HG11))
3.111 1.210 1.210 peak 2655 weight 1.00000E+00 volume 2.93800E+07 ppm1 7.356 ppm2 1.247
ASSI { 2706}
(( segid " A" and resid 87 and name HA ))
(( segid " A" and resid 98 and name HN ))
2.582 0.833 0.833 peak 2706 weight 1.00000E+00 volume 8.98900E+07 ppm1 8.086 ppm2 4.971
ASSI { 1972}
(( segid " A" and resid 88 and name HB ))
(( segid " A" and resid 88 and name HA ))
2.349 0.690 0.690 peak 1972 weight 1.00000E+00 volume 3.32954E+06 ppm1 2.103 ppm2 4.631
ASSI { 1976}
(( segid " A" and resid 88 and name HB ))
( segid " A" and resid 88 and name HG2#)
1.985 0.492 0.492 peak 1976 weight 1.00000E+00 volume 7.02201E+06 ppm1 2.107 ppm2 0.695
ASSI { 1987}
(( segid " A" and resid 88 and name HA ))
( segid " A" and resid 88 and name HG2#)
2.111 0.557 0.557 peak 1987 weight 1.00000E+00 volume 6.32340E+06 ppm1 0.692 ppm2 4.638
ASSI { 1975}
(( segid " A" and resid 88 and name HB ))
( segid " A" and resid 88 and name HG1#)
2.021 0.511 0.511 peak 1975 weight 1.00000E+00 volume 5.29817E+06 ppm1 2.107 ppm2 0.804
ASSI { 1999}
(( segid " A" and resid 88 and name HA ))
( segid " A" and resid 88 and name HG1#)
2.462 0.757 0.757 peak 1999 weight 1.00000E+00 volume 2.51637E+06 ppm1 0.803 ppm2 4.637
ASSI { 2003}
(( segid " A" and resid 88 and name HN ))
( segid " A" and resid 88 and name HG1#)
2.173 0.590 0.590 peak 2003 weight 1.00000E+00 volume 5.31857E+06 ppm1 0.801 ppm2 8.038
ASSI { 775}
(( segid " A" and resid 88 and name HN ))
(( segid " A" and resid 88 and name HA ))
2.640 0.871 0.871 peak 775 weight 1.00000E+00 volume 7.86076E+07 ppm1 8.038 ppm2 4.621
ASSI { 776}
(( segid " A" and resid 88 and name HN ))
(( segid " A" and resid 88 and name HB ))
2.902 1.053 1.053 peak 776 weight 1.00000E+00 volume 4.46239E+07 ppm1 8.039 ppm2 2.091
ASSI { 952}
(( segid " A" and resid 88 and name HN ))
( segid " A" and resid 88 and name HG1#)
2.209 0.610 0.610 peak 952 weight 1.00000E+00 volume 2.29196E+08 ppm1 8.036 ppm2 0.803
OR { 952}
( segid " A" and resid 87 and name HG2#)
(( segid " A" and resid 88 and name HN ))
ASSI { 2662}
(( segid " A" and resid 88 and name HN ))
( segid " A" and resid 88 and name HG2#)
2.499 0.781 0.781 peak 2662 weight 1.00000E+00 volume 1.07000E+08 ppm1 8.039 ppm2 0.701
ASSI { 542}
(( segid " A" and resid 88 and name HB ))
(( segid " A" and resid 89 and name HN ))
2.341 0.685 0.685 peak 542 weight 1.00000E+00 volume 1.61964E+08 ppm1 9.143 ppm2 2.092
ASSI { 253}
(( segid " A" and resid 88 and name HN ))
(( segid " A" and resid 89 and name HN ))
3.180 1.264 1.264 peak 253 weight 1.00000E+00 volume 2.57416E+07 ppm1 9.147 ppm2 8.034
ASSI { 543}
(( segid " A" and resid 88 and name HA ))
(( segid " A" and resid 89 and name HN ))
2.115 0.559 0.559 peak 543 weight 1.00000E+00 volume 2.97975E+08 ppm1 9.144 ppm2 4.622
ASSI { 2659}
(( segid " A" and resid 88 and name HN ))
(( segid " A" and resid 95 and name HB ))
3.195 1.276 1.276 peak 2659 weight 1.00000E+00 volume 2.50400E+07 ppm1 8.035 ppm2 4.114
ASSI { 1998}
( segid " A" and resid 88 and name HG1#)
(( segid " A" and resid 96 and name HA ))
2.810 0.987 0.987 peak 1998 weight 1.00000E+00 volume 1.13762E+06 ppm1 0.805 ppm2 4.452
ASSI { 249}
(( segid " A" and resid 88 and name HN ))
(( segid " A" and resid 96 and name HN ))
2.628 0.863 0.863 peak 249 weight 1.00000E+00 volume 8.09105E+07 ppm1 8.037 ppm2 9.107
ASSI { 2664}
(( segid " A" and resid 88 and name HN ))
( segid " A" and resid 96 and name HG2#)
3.249 1.319 1.319 peak 2664 weight 1.00000E+00 volume 2.26600E+07 ppm1 8.037 ppm2 0.426
ASSI { 2702}
( segid " A" and resid 88 and name HG1#)
(( segid " A" and resid 96 and name HN ))
2.353 0.692 0.692 peak 2702 weight 1.00000E+00 volume 9.38100E+07 ppm1 9.105 ppm2 0.786
ASSI { 1993}
( segid " A" and resid 88 and name HG1#)
( segid " A" and resid 98 and name HD1#)
1.845 0.425 0.425 peak 1993 weight 1.00000E+00 volume 1.42048E+07 ppm1 0.801 ppm2 0.557
ASSI { 1994}
( segid " A" and resid 88 and name HG1#)
(( segid " A" and resid 98 and name HG12))
2.034 0.517 0.517 peak 1994 weight 1.00000E+00 volume 7.89837E+06 ppm1 0.800 ppm2 1.189
ASSI { 1980}
( segid " A" and resid 88 and name HG2#)
(( segid " A" and resid 98 and name HG12))
2.122 0.563 0.563 peak 1980 weight 1.00000E+00 volume 6.13382E+06 ppm1 0.691 ppm2 1.192
ASSI { 1923}
( segid " A" and resid 88 and name HG1#)
(( segid " A" and resid 98 and name HN ))
2.805 0.984 0.984 peak 1923 weight 1.00000E+00 volume 5.46677E+07 ppm1 8.081 ppm2 0.790
OR { 1923}
( segid " A" and resid 87 and name HG2#)
(( segid " A" and resid 98 and name HN ))
ASSI { 2663}
(( segid " A" and resid 88 and name HN ))
( segid " A" and resid 98 and name HD1#)
2.864 1.026 1.026 peak 2663 weight 1.00000E+00 volume 4.82212E+07 ppm1 8.040 ppm2 0.538
ASSI { 2914}
(( segid " A" and resid 89 and name HN ))
( segid " A" and resid 77 and name HD# )
3.416 1.459 1.459 peak 2914 weight 1.00000E+00 volume 1.67621E+07 ppm1 9.140 ppm2 6.840
OR { 2914}
(( segid " A" and resid 89 and name HN ))
( segid " A" and resid 77 and name HE# )
ASSI { 783}
(( segid " A" and resid 89 and name HA ))
(( segid " A" and resid 88 and name HN ))
3.557 1.581 1.581 peak 783 weight 1.00000E+00 volume 1.31583E+07 ppm1 8.038 ppm2 4.256
ASSI { 1741}
( segid " A" and resid 89 and name HG2#)
(( segid " A" and resid 89 and name HA ))
2.046 0.523 0.523 peak 1741 weight 1.00000E+00 volume 4.89190E+06 ppm1 1.262 ppm2 4.275
ASSI { 2008}
( segid " A" and resid 89 and name HG2#)
(( segid " A" and resid 89 and name HB ))
1.921 0.461 0.461 peak 2008 weight 1.00000E+00 volume 5.49173E+06 ppm1 4.010 ppm2 1.306
ASSI { 2010}
(( segid " A" and resid 89 and name HA ))
(( segid " A" and resid 89 and name HB ))
2.564 0.822 0.822 peak 2010 weight 1.00000E+00 volume 1.96918E+06 ppm1 4.009 ppm2 4.251
ASSI { 782}
(( segid " A" and resid 89 and name HB ))
(( segid " A" and resid 89 and name HN ))
2.315 0.670 0.670 peak 782 weight 1.00000E+00 volume 1.45173E+08 ppm1 9.143 ppm2 3.990
ASSI { 781}
(( segid " A" and resid 89 and name HA ))
(( segid " A" and resid 89 and name HN ))
2.817 0.992 0.992 peak 781 weight 1.00000E+00 volume 5.33021E+07 ppm1 9.144 ppm2 4.243
ASSI { 954}
( segid " A" and resid 89 and name HG2#)
(( segid " A" and resid 90 and name HN ))
2.362 0.697 0.697 peak 954 weight 1.00000E+00 volume 1.53525E+08 ppm1 8.271 ppm2 1.282
ASSI { 257}
(( segid " A" and resid 89 and name HN ))
(( segid " A" and resid 90 and name HN ))
3.640 1.656 1.656 peak 257 weight 1.00000E+00 volume 1.14516E+07 ppm1 9.143 ppm2 8.295
ASSI { 779}
(( segid " A" and resid 89 and name HA ))
(( segid " A" and resid 90 and name HN ))
2.264 0.641 0.641 peak 779 weight 1.00000E+00 volume 1.97871E+08 ppm1 8.270 ppm2 4.249
ASSI { 2693}
( segid " A" and resid 89 and name HG2#)
(( segid " A" and resid 93 and name HN ))
2.620 0.858 0.858 peak 2693 weight 1.00000E+00 volume 5.57200E+07 ppm1 7.542 ppm2 1.290
ASSI { 2123}
( segid " A" and resid 89 and name HG2#)
(( segid " A" and resid 93 and name HA2 ))
2.487 0.773 0.773 peak 2123 weight 1.00000E+00 volume 1.96477E+06 ppm1 3.421 ppm2 1.297
ASSI { 3846}
( segid " A" and resid 89 and name HG2#)
(( segid " A" and resid 93 and name HA1 ))
1.937 0.469 0.469 peak 3846 weight 1.00000E+00 volume 1.06000E+07 ppm1 1.304 ppm2 4.621
ASSI { 1902}
( segid " A" and resid 89 and name HG2#)
(( segid " A" and resid 94 and name HN ))
3.121 1.217 1.217 peak 1902 weight 1.00000E+00 volume 2.22299E+07 ppm1 8.441 ppm2 1.282
ASSI { 3848}
( segid " A" and resid 89 and name HG2#)
(( segid " A" and resid 95 and name HA ))
2.552 0.814 0.814 peak 3848 weight 1.00000E+00 volume 2.02500E+06 ppm1 1.310 ppm2 5.030
ASSI { 3849}
( segid " A" and resid 89 and name HG2#)
(( segid " A" and resid 95 and name HN ))
2.558 0.818 0.818 peak 3849 weight 1.00000E+00 volume 1.99700E+06 ppm1 1.306 ppm2 8.879
ASSI { 3869}
(( segid " A" and resid 89 and name HA ))
(( segid " A" and resid 95 and name HA ))
2.091 0.546 0.546 peak 3869 weight 1.00000E+00 volume 6.70500E+06 ppm1 5.046 ppm2 4.268
ASSI { 2698}
(( segid " A" and resid 89 and name HA ))
(( segid " A" and resid 96 and name HN ))
2.833 1.003 1.003 peak 2698 weight 1.00000E+00 volume 5.15600E+07 ppm1 9.105 ppm2 4.241
ASSI { 2038}
(( segid " A" and resid 90 and name HB2 ))
(( segid " A" and resid 90 and name HA ))
2.372 0.703 0.703 peak 2038 weight 1.00000E+00 volume 3.14161E+06 ppm1 4.022 ppm2 4.981
ASSI { 784}
(( segid " A" and resid 90 and name HN ))
(( segid " A" and resid 90 and name HA ))
2.513 0.789 0.789 peak 784 weight 1.00000E+00 volume 1.05864E+08 ppm1 8.268 ppm2 4.979
ASSI { 258}
(( segid " A" and resid 90 and name HN ))
(( segid " A" and resid 91 and name HN ))
3.392 1.438 1.438 peak 258 weight 1.00000E+00 volume 1.74959E+07 ppm1 8.275 ppm2 9.584
ASSI { 544}
(( segid " A" and resid 90 and name HB2 ))
(( segid " A" and resid 91 and name HN ))
2.994 1.121 1.121 peak 544 weight 1.00000E+00 volume 3.69700E+07 ppm1 9.592 ppm2 4.011
ASSI { 545}
(( segid " A" and resid 90 and name HA ))
(( segid " A" and resid 91 and name HN ))
2.504 0.784 0.784 peak 545 weight 1.00000E+00 volume 1.08058E+08 ppm1 9.590 ppm2 4.963
ASSI { 2679}
(( segid " A" and resid 90 and name HN ))
(( segid " A" and resid 92 and name HN ))
3.429 1.470 1.470 peak 2679 weight 1.00000E+00 volume 1.63800E+07 ppm1 7.431 ppm2 8.259
ASSI { 2681}
(( segid " A" and resid 90 and name HB2 ))
(( segid " A" and resid 92 and name HN ))
2.802 0.982 0.982 peak 2681 weight 1.00000E+00 volume 5.49900E+07 ppm1 7.430 ppm2 3.991
ASSI { 2672}
(( segid " A" and resid 90 and name HN ))
(( segid " A" and resid 93 and name HA2 ))
3.559 1.583 1.583 peak 2672 weight 1.00000E+00 volume 1.31100E+07 ppm1 8.263 ppm2 3.396
ASSI { 2667}
(( segid " A" and resid 90 and name HN ))
(( segid " A" and resid 94 and name HN ))
3.046 1.160 1.160 peak 2667 weight 1.00000E+00 volume 3.33400E+07 ppm1 8.266 ppm2 8.426
ASSI { 3560}
( segid " A" and resid 91 and name HD2#)
( segid " A" and resid 29 and name HB# )
2.498 0.780 0.780 peak 3560 weight 1.00000E+00 volume 2.30600E+06 ppm1 1.248 ppm2 0.975
ASSI { 3852}
( segid " A" and resid 91 and name HD1#)
( segid " A" and resid 29 and name HB# )
2.425 0.735 0.735 peak 3852 weight 1.00000E+00 volume 2.75400E+06 ppm1 0.898 ppm2 1.207
ASSI { 3855}
( segid " A" and resid 91 and name HD1#)
(( segid " A" and resid 30 and name HA ))
2.605 0.848 0.848 peak 3855 weight 1.00000E+00 volume 1.79000E+06 ppm1 0.896 ppm2 3.952
ASSI { 1364}
(( segid " A" and resid 91 and name HB1 ))
(( segid " A" and resid 30 and name HN ))
3.373 1.423 1.423 peak 1364 weight 1.00000E+00 volume 1.80733E+07 ppm1 7.439 ppm2 1.912
ASSI { 3280}
(( segid " A" and resid 91 and name HA ))
( segid " A" and resid 73 and name HG1#)
2.150 0.578 0.578 peak 3280 weight 1.00000E+00 volume 5.67338E+06 ppm1 0.898 ppm2 4.235
OR { 3280}
( segid " A" and resid 58 and name HG1#)
(( segid " A" and resid 59 and name HA ))
ASSI { 3419}
(( segid " A" and resid 91 and name HA ))
( segid " A" and resid 73 and name HG1#)
2.153 0.580 0.580 peak 3419 weight 1.00000E+00 volume 5.61700E+06 ppm1 4.212 ppm2 0.848
ASSI { 3856}
( segid " A" and resid 91 and name HD1#)
(( segid " A" and resid 73 and name HA ))
2.899 1.051 1.051 peak 3856 weight 1.00000E+00 volume 9.42800E+05 ppm1 0.897 ppm2 4.413
ASSI { 2674}
(( segid " A" and resid 91 and name HN ))
(( segid " A" and resid 73 and name HA ))
2.915 1.062 1.062 peak 2674 weight 1.00000E+00 volume 4.34500E+07 ppm1 9.585 ppm2 4.413
ASSI { 2079}
( segid " A" and resid 91 and name HD2#)
( segid " A" and resid 74 and name HB# )
1.913 0.457 0.457 peak 2079 weight 1.00000E+00 volume 1.14316E+07 ppm1 0.989 ppm2 1.421
OR { 2079}
( segid " A" and resid 111 and name HG1#)
(( segid " A" and resid 104 and name HB2 ))
ASSI { 3751}
( segid " A" and resid 91 and name HD2#)
( segid " A" and resid 74 and name HB# )
1.979 0.489 0.489 peak 3751 weight 1.00000E+00 volume 9.32300E+06 ppm1 1.436 ppm2 0.963
ASSI { 3752}
(( segid " A" and resid 91 and name HA ))
( segid " A" and resid 74 and name HB# )
2.704 0.914 0.914 peak 3752 weight 1.00000E+00 volume 1.43300E+06 ppm1 1.436 ppm2 4.248
ASSI { 3853}
( segid " A" and resid 91 and name HD1#)
( segid " A" and resid 74 and name HB# )
2.249 0.632 0.632 peak 3853 weight 1.00000E+00 volume 4.32500E+06 ppm1 0.897 ppm2 1.411
ASSI { 2581}
(( segid " A" and resid 91 and name HG ))
(( segid " A" and resid 74 and name HN ))
3.012 1.134 1.134 peak 2581 weight 1.00000E+00 volume 3.56700E+07 ppm1 9.305 ppm2 1.777
ASSI { 2582}
( segid " A" and resid 91 and name HD2#)
(( segid " A" and resid 74 and name HN ))
2.491 0.775 0.775 peak 2582 weight 1.00000E+00 volume 7.07000E+07 ppm1 9.302 ppm2 0.979
ASSI { 97}
(( segid " A" and resid 91 and name HA ))
(( segid " A" and resid 91 and name HB2 ))
2.126 0.565 0.565 peak 97 weight 1.00000E+00 volume 6.05643E+06 ppm1 4.215 ppm2 1.589
ASSI { 98}
(( segid " A" and resid 91 and name HA ))
( segid " A" and resid 91 and name HD2#)
1.917 0.459 0.459 peak 98 weight 1.00000E+00 volume 1.01052E+07 ppm1 4.213 ppm2 0.983
ASSI { 2043}
(( segid " A" and resid 91 and name HB2 ))
(( segid " A" and resid 91 and name HB1 ))
2.092 0.547 0.547 peak 2043 weight 1.00000E+00 volume 6.17777E+06 ppm1 1.926 ppm2 1.619
ASSI { 2045}
(( segid " A" and resid 91 and name HB1 ))
( segid " A" and resid 91 and name HD1#)
1.992 0.496 0.496 peak 2045 weight 1.00000E+00 volume 7.52907E+06 ppm1 1.926 ppm2 0.903
ASSI { 2046}
(( segid " A" and resid 91 and name HB2 ))
( segid " A" and resid 91 and name HD1#)
2.068 0.535 0.535 peak 2046 weight 1.00000E+00 volume 5.98066E+06 ppm1 1.620 ppm2 0.904
ASSI { 2048}
(( segid " A" and resid 91 and name HB2 ))
( segid " A" and resid 91 and name HD2#)
2.092 0.547 0.547 peak 2048 weight 1.00000E+00 volume 5.50280E+06 ppm1 1.619 ppm2 0.995
ASSI { 2049}
(( segid " A" and resid 91 and name HA ))
(( segid " A" and resid 91 and name HB1 ))
2.751 0.946 0.946 peak 2049 weight 1.00000E+00 volume 1.29235E+06 ppm1 1.923 ppm2 4.233
ASSI { 2054}
(( segid " A" and resid 91 and name HB1 ))
(( segid " A" and resid 91 and name HN ))
2.661 0.885 0.885 peak 2054 weight 1.00000E+00 volume 1.57630E+06 ppm1 1.932 ppm2 9.576
ASSI { 787}
(( segid " A" and resid 91 and name HB2 ))
(( segid " A" and resid 91 and name HN ))
2.540 0.806 0.806 peak 787 weight 1.00000E+00 volume 6.49836E+07 ppm1 9.590 ppm2 1.597
ASSI { 2060}
( segid " A" and resid 91 and name HD2#)
( segid " A" and resid 91 and name HD1#)
1.613 0.325 0.325 peak 2060 weight 1.00000E+00 volume 3.17540E+07 ppm1 0.898 ppm2 0.997
ASSI { 2081}
( segid " A" and resid 91 and name HD2#)
(( segid " A" and resid 91 and name HG ))
1.968 0.484 0.484 peak 2081 weight 1.00000E+00 volume 9.63052E+06 ppm1 0.991 ppm2 1.799
ASSI { 2064}
( segid " A" and resid 91 and name HD1#)
(( segid " A" and resid 91 and name HG ))
2.022 0.511 0.511 peak 2064 weight 1.00000E+00 volume 8.18709E+06 ppm1 0.896 ppm2 1.810
ASSI { 2092}
(( segid " A" and resid 91 and name HB1 ))
(( segid " A" and resid 91 and name HG ))
1.989 0.495 0.495 peak 2092 weight 1.00000E+00 volume 9.02870E+06 ppm1 1.789 ppm2 1.927
ASSI { 2093}
(( segid " A" and resid 91 and name HA ))
(( segid " A" and resid 91 and name HG ))
2.560 0.819 0.819 peak 2093 weight 1.00000E+00 volume 1.99118E+06 ppm1 1.796 ppm2 4.213
ASSI { 786}
(( segid " A" and resid 91 and name HA ))
(( segid " A" and resid 91 and name HN ))
2.673 0.893 0.893 peak 786 weight 1.00000E+00 volume 7.31007E+07 ppm1 9.589 ppm2 4.193
ASSI { 2677}
( segid " A" and resid 91 and name HD2#)
(( segid " A" and resid 91 and name HN ))
2.643 0.873 0.873 peak 2677 weight 1.00000E+00 volume 6.63500E+07 ppm1 9.591 ppm2 0.963
ASSI { 264}
(( segid " A" and resid 91 and name HN ))
(( segid " A" and resid 92 and name HN ))
2.703 0.913 0.913 peak 264 weight 1.00000E+00 volume 6.82766E+07 ppm1 7.429 ppm2 9.578
ASSI { 546}
(( segid " A" and resid 91 and name HA ))
(( segid " A" and resid 92 and name HN ))
2.807 0.985 0.985 peak 546 weight 1.00000E+00 volume 5.44706E+07 ppm1 7.430 ppm2 4.192
ASSI { 547}
(( segid " A" and resid 91 and name HB2 ))
(( segid " A" and resid 92 and name HN ))
2.632 0.866 0.866 peak 547 weight 1.00000E+00 volume 8.00680E+07 ppm1 7.430 ppm2 1.594
ASSI { 2683}
(( segid " A" and resid 91 and name HB1 ))
(( segid " A" and resid 92 and name HN ))
2.422 0.733 0.733 peak 2683 weight 1.00000E+00 volume 1.32000E+08 ppm1 7.430 ppm2 1.911
ASSI { 2689}
(( segid " A" and resid 91 and name HA ))
(( segid " A" and resid 93 and name HN ))
2.955 1.091 1.091 peak 2689 weight 1.00000E+00 volume 4.00400E+07 ppm1 7.545 ppm2 4.198
ASSI { 2712}
( segid " A" and resid 91 and name HD2#)
(( segid " A" and resid 93 and name HN ))
3.639 1.655 1.655 peak 2712 weight 1.00000E+00 volume 1.14700E+07 ppm1 7.543 ppm2 0.979
ASSI { 2105}
(( segid " A" and resid 92 and name HB1 ))
(( segid " A" and resid 92 and name HB2 ))
2.747 0.943 0.943 peak 2105 weight 1.00000E+00 volume 1.30271E+06 ppm1 2.581 ppm2 1.818
ASSI { 2106}
(( segid " A" and resid 92 and name HB2 ))
(( segid " A" and resid 92 and name HG1 ))
2.478 0.768 0.768 peak 2106 weight 1.00000E+00 volume 2.41504E+06 ppm1 1.801 ppm2 2.579
ASSI { 2108}
(( segid " A" and resid 92 and name HB1 ))
(( segid " A" and resid 92 and name HA ))
2.827 0.999 0.999 peak 2108 weight 1.00000E+00 volume 1.09617E+06 ppm1 2.581 ppm2 3.933
ASSI { 2099}
(( segid " A" and resid 92 and name HB2 ))
(( segid " A" and resid 92 and name HA ))
2.318 0.672 0.672 peak 2099 weight 1.00000E+00 volume 3.61005E+06 ppm1 3.915 ppm2 1.805
ASSI { 2112}
(( segid " A" and resid 92 and name HG1 ))
(( segid " A" and resid 92 and name HG2 ))
2.271 0.645 0.645 peak 2112 weight 1.00000E+00 volume 3.49124E+06 ppm1 2.519 ppm2 2.337
ASSI { 2117}
(( segid " A" and resid 92 and name HA ))
(( segid " A" and resid 92 and name HG1 ))
2.750 0.946 0.946 peak 2117 weight 1.00000E+00 volume 1.29336E+06 ppm1 2.525 ppm2 3.907
ASSI { 3866}
(( segid " A" and resid 92 and name HB1 ))
(( segid " A" and resid 92 and name HG1 ))
2.672 0.892 0.892 peak 3866 weight 1.00000E+00 volume 1.53900E+06 ppm1 2.520 ppm2 1.788
ASSI { 2116}
(( segid " A" and resid 92 and name HB2 ))
(( segid " A" and resid 92 and name HG2 ))
2.305 0.664 0.664 peak 2116 weight 1.00000E+00 volume 3.73093E+06 ppm1 2.331 ppm2 1.799
ASSI { 788}
(( segid " A" and resid 92 and name HA ))
(( segid " A" and resid 92 and name HN ))
2.401 0.721 0.721 peak 788 weight 1.00000E+00 volume 1.38959E+08 ppm1 7.430 ppm2 3.896
ASSI { 958}
(( segid " A" and resid 92 and name HN ))
(( segid " A" and resid 92 and name HG1 ))
2.408 0.725 0.725 peak 958 weight 1.00000E+00 volume 1.36547E+08 ppm1 7.431 ppm2 2.565
ASSI { 959}
(( segid " A" and resid 92 and name HN ))
(( segid " A" and resid 92 and name HG2 ))
2.912 1.060 1.060 peak 959 weight 1.00000E+00 volume 4.36696E+07 ppm1 7.428 ppm2 2.315
ASSI { 794}
(( segid " A" and resid 92 and name HN ))
(( segid " A" and resid 93 and name HA1 ))
3.354 1.406 1.406 peak 794 weight 1.00000E+00 volume 1.87249E+07 ppm1 7.431 ppm2 4.579
ASSI { 2692}
(( segid " A" and resid 92 and name HB1 ))
(( segid " A" and resid 93 and name HN ))
2.872 1.031 1.031 peak 2692 weight 1.00000E+00 volume 4.74200E+07 ppm1 7.542 ppm2 1.775
ASSI { 2118}
(( segid " A" and resid 92 and name HG2 ))
(( segid " A" and resid 94 and name HB2 ))
2.401 0.721 0.721 peak 2118 weight 1.00000E+00 volume 2.91970E+06 ppm1 2.319 ppm2 3.906
ASSI { 960}
(( segid " A" and resid 92 and name HG1 ))
(( segid " A" and resid 94 and name HN ))
3.011 1.133 1.133 peak 960 weight 1.00000E+00 volume 3.57466E+07 ppm1 8.440 ppm2 2.559
ASSI { 961}
(( segid " A" and resid 92 and name HG2 ))
(( segid " A" and resid 94 and name HN ))
3.375 1.424 1.424 peak 961 weight 1.00000E+00 volume 1.80159E+07 ppm1 8.433 ppm2 2.347
ASSI { 263}
(( segid " A" and resid 92 and name HN ))
(( segid " A" and resid 94 and name HN ))
3.036 1.152 1.152 peak 263 weight 1.00000E+00 volume 3.39883E+07 ppm1 7.431 ppm2 8.420
ASSI { 2668}
(( segid " A" and resid 93 and name HN ))
(( segid " A" and resid 90 and name HN ))
3.356 1.408 1.408 peak 2668 weight 1.00000E+00 volume 1.86500E+07 ppm1 8.274 ppm2 7.541
ASSI { 2687}
(( segid " A" and resid 93 and name HN ))
(( segid " A" and resid 90 and name HA ))
3.116 1.214 1.214 peak 2687 weight 1.00000E+00 volume 2.90900E+07 ppm1 7.547 ppm2 4.950
ASSI { 2686}
(( segid " A" and resid 93 and name HN ))
(( segid " A" and resid 91 and name HN ))
3.375 1.424 1.424 peak 2686 weight 1.00000E+00 volume 1.80100E+07 ppm1 7.537 ppm2 9.571
ASSI { 266}
(( segid " A" and resid 93 and name HN ))
(( segid " A" and resid 92 and name HN ))
2.082 0.542 0.542 peak 266 weight 1.00000E+00 volume 1.48581E+08 ppm1 7.430 ppm2 7.537
ASSI { 548}
(( segid " A" and resid 93 and name HN ))
(( segid " A" and resid 92 and name HA ))
2.713 0.920 0.920 peak 548 weight 1.00000E+00 volume 6.68450E+07 ppm1 7.542 ppm2 3.898
ASSI { 957}
(( segid " A" and resid 93 and name HN ))
(( segid " A" and resid 92 and name HG1 ))
2.785 0.969 0.969 peak 957 weight 1.00000E+00 volume 5.71233E+07 ppm1 7.543 ppm2 2.567
ASSI { 2690}
(( segid " A" and resid 93 and name HN ))
(( segid " A" and resid 92 and name HG2 ))
3.376 1.424 1.424 peak 2690 weight 1.00000E+00 volume 1.80000E+07 ppm1 7.545 ppm2 2.314
ASSI { 793}
(( segid " A" and resid 93 and name HN ))
(( segid " A" and resid 93 and name HA2 ))
2.316 0.670 0.670 peak 793 weight 1.00000E+00 volume 1.72650E+08 ppm1 7.542 ppm2 3.398
ASSI { 2121}
(( segid " A" and resid 93 and name HA2 ))
(( segid " A" and resid 93 and name HA1 ))
2.029 0.515 0.515 peak 2121 weight 1.00000E+00 volume 8.01491E+06 ppm1 3.424 ppm2 4.569
ASSI { 792}
(( segid " A" and resid 93 and name HN ))
(( segid " A" and resid 93 and name HA1 ))
2.380 0.708 0.708 peak 792 weight 1.00000E+00 volume 1.46466E+08 ppm1 7.542 ppm2 4.563
ASSI { 269}
(( segid " A" and resid 93 and name HN ))
(( segid " A" and resid 94 and name HN ))
2.550 0.813 0.813 peak 269 weight 1.00000E+00 volume 9.68315E+07 ppm1 7.543 ppm2 8.435
ASSI { 790}
(( segid " A" and resid 93 and name HA2 ))
(( segid " A" and resid 94 and name HN ))
2.914 1.061 1.061 peak 790 weight 1.00000E+00 volume 4.35038E+07 ppm1 8.433 ppm2 3.398
ASSI { 791}
(( segid " A" and resid 93 and name HA1 ))
(( segid " A" and resid 94 and name HN ))
2.667 0.889 0.889 peak 791 weight 1.00000E+00 volume 7.39764E+07 ppm1 8.440 ppm2 4.568
ASSI { 2127}
(( segid " A" and resid 94 and name HB1 ))
(( segid " A" and resid 94 and name HA ))
2.424 0.734 0.734 peak 2127 weight 1.00000E+00 volume 2.76274E+06 ppm1 3.970 ppm2 4.762
ASSI { 2128}
(( segid " A" and resid 94 and name HB2 ))
(( segid " A" and resid 94 and name HA ))
2.581 0.832 0.832 peak 2128 weight 1.00000E+00 volume 1.89568E+06 ppm1 3.907 ppm2 4.764
ASSI { 796}
(( segid " A" and resid 94 and name HA ))
(( segid " A" and resid 94 and name HN ))
2.462 0.758 0.758 peak 796 weight 1.00000E+00 volume 1.19576E+08 ppm1 8.439 ppm2 4.771
ASSI { 797}
(( segid " A" and resid 94 and name HB1 ))
(( segid " A" and resid 94 and name HN ))
2.550 0.813 0.813 peak 797 weight 1.00000E+00 volume 9.68659E+07 ppm1 8.436 ppm2 3.953
ASSI { 549}
(( segid " A" and resid 94 and name HA ))
(( segid " A" and resid 95 and name HN ))
2.600 0.845 0.845 peak 549 weight 1.00000E+00 volume 8.62250E+07 ppm1 8.896 ppm2 4.782
ASSI { 550}
(( segid " A" and resid 94 and name HB1 ))
(( segid " A" and resid 95 and name HN ))
3.337 1.392 1.392 peak 550 weight 1.00000E+00 volume 1.92750E+07 ppm1 8.887 ppm2 3.956
ASSI { 3808}
( segid " A" and resid 95 and name HG2#)
( segid " A" and resid 87 and name HD1#)
2.020 0.510 0.510 peak 3808 weight 1.00000E+00 volume 8.23900E+06 ppm1 0.836 ppm2 1.244
ASSI { 1959}
( segid " A" and resid 95 and name HG2#)
( segid " A" and resid 87 and name HG2#)
1.787 0.399 0.399 peak 1959 weight 1.00000E+00 volume 6.08958E+06 ppm1 0.779 ppm2 1.250
ASSI { 956}
( segid " A" and resid 95 and name HG2#)
(( segid " A" and resid 88 and name HN ))
2.782 0.968 0.968 peak 956 weight 1.00000E+00 volume 5.74089E+07 ppm1 8.037 ppm2 1.273
ASSI { 2665}
(( segid " A" and resid 95 and name HA ))
(( segid " A" and resid 89 and name HN ))
3.123 1.219 1.219 peak 2665 weight 1.00000E+00 volume 2.87000E+07 ppm1 9.144 ppm2 5.023
ASSI { 273}
(( segid " A" and resid 95 and name HN ))
(( segid " A" and resid 94 and name HN ))
3.311 1.370 1.370 peak 273 weight 1.00000E+00 volume 2.02157E+07 ppm1 8.440 ppm2 8.880
ASSI { 1743}
( segid " A" and resid 95 and name HG2#)
(( segid " A" and resid 95 and name HA ))
2.095 0.549 0.549 peak 1743 weight 1.00000E+00 volume 6.61397E+06 ppm1 1.260 ppm2 5.034
ASSI { 2136}
(( segid " A" and resid 95 and name HA ))
(( segid " A" and resid 95 and name HB ))
2.849 1.014 1.014 peak 2136 weight 1.00000E+00 volume 1.04795E+06 ppm1 4.127 ppm2 5.030
ASSI { 2150}
( segid " A" and resid 95 and name HG2#)
(( segid " A" and resid 95 and name HB ))
1.781 0.397 0.397 peak 2150 weight 1.00000E+00 volume 1.75381E+07 ppm1 1.261 ppm2 4.107
ASSI { 800}
(( segid " A" and resid 95 and name HA ))
(( segid " A" and resid 95 and name HN ))
3.311 1.370 1.370 peak 800 weight 1.00000E+00 volume 2.02234E+07 ppm1 8.899 ppm2 5.052
ASSI { 801}
(( segid " A" and resid 95 and name HB ))
(( segid " A" and resid 95 and name HN ))
3.790 1.795 1.795 peak 801 weight 1.00000E+00 volume 8.99404E+06 ppm1 8.894 ppm2 4.100
ASSI { 963}
( segid " A" and resid 95 and name HG2#)
(( segid " A" and resid 95 and name HN ))
2.914 1.061 1.061 peak 963 weight 1.00000E+00 volume 4.35503E+07 ppm1 8.893 ppm2 1.241
ASSI { 962}
( segid " A" and resid 95 and name HG2#)
(( segid " A" and resid 96 and name HN ))
2.286 0.653 0.653 peak 962 weight 1.00000E+00 volume 1.35196E+08 ppm1 9.105 ppm2 1.248
ASSI { 552}
(( segid " A" and resid 95 and name HA ))
(( segid " A" and resid 96 and name HN ))
2.308 0.666 0.666 peak 552 weight 1.00000E+00 volume 1.76440E+08 ppm1 9.105 ppm2 5.048
ASSI { 1996}
(( segid " A" and resid 96 and name HB ))
( segid " A" and resid 88 and name HG1#)
2.049 0.525 0.525 peak 1996 weight 1.00000E+00 volume 7.56773E+06 ppm1 0.801 ppm2 1.588
ASSI { 2660}
(( segid " A" and resid 96 and name HB ))
(( segid " A" and resid 88 and name HN ))
2.800 0.980 0.980 peak 2660 weight 1.00000E+00 volume 5.53300E+07 ppm1 8.038 ppm2 1.569
ASSI { 1858}
( segid " A" and resid 96 and name HD1#)
(( segid " A" and resid 90 and name HN ))
2.938 1.079 1.079 peak 1858 weight 1.00000E+00 volume 4.13950E+07 ppm1 8.271 ppm2 0.526
OR { 1858}
( segid " A" and resid 98 and name HD1#)
(( segid " A" and resid 106 and name HN ))
ASSI { 2673}
( segid " A" and resid 96 and name HD1#)
(( segid " A" and resid 90 and name HN ))
2.938 1.079 1.079 peak 2673 weight 1.00000E+00 volume 4.14000E+07 ppm1 8.271 ppm2 0.526
ASSI { 1903}
( segid " A" and resid 96 and name HD1#)
(( segid " A" and resid 94 and name HN ))
3.396 1.442 1.442 peak 1903 weight 1.00000E+00 volume 1.73588E+07 ppm1 8.434 ppm2 0.549
ASSI { 3877}
( segid " A" and resid 96 and name HD1#)
(( segid " A" and resid 95 and name HA ))
2.583 0.834 0.834 peak 3877 weight 1.00000E+00 volume 1.88600E+06 ppm1 0.551 ppm2 5.047
ASSI { 551}
(( segid " A" and resid 96 and name HN ))
(( segid " A" and resid 95 and name HB ))
2.501 0.782 0.782 peak 551 weight 1.00000E+00 volume 1.08890E+08 ppm1 9.103 ppm2 4.110
ASSI { 3}
( segid " A" and resid 96 and name HD1#)
(( segid " A" and resid 96 and name HB ))
2.106 0.555 0.555 peak 3 weight 1.00000E+00 volume 6.41054E+06 ppm1 0.552 ppm2 1.606
ASSI { 2157}
(( segid " A" and resid 96 and name HB ))
( segid " A" and resid 96 and name HG2#)
2.118 0.561 0.561 peak 2157 weight 1.00000E+00 volume 3.82872E+06 ppm1 1.599 ppm2 0.434
ASSI { 2699}
(( segid " A" and resid 96 and name HB ))
(( segid " A" and resid 96 and name HN ))
2.527 0.798 0.798 peak 2699 weight 1.00000E+00 volume 9.40100E+07 ppm1 9.105 ppm2 1.568
ASSI { 2170}
( segid " A" and resid 96 and name HD1#)
(( segid " A" and resid 96 and name HA ))
2.570 0.826 0.826 peak 2170 weight 1.00000E+00 volume 1.94233E+06 ppm1 0.548 ppm2 4.447
ASSI { 2}
( segid " A" and resid 96 and name HD1#)
(( segid " A" and resid 96 and name HG12))
1.879 0.441 0.441 peak 2 weight 1.00000E+00 volume 1.27226E+07 ppm1 0.552 ppm2 1.252
ASSI { 2179}
(( segid " A" and resid 96 and name HG12))
(( segid " A" and resid 96 and name HG11))
2.204 0.607 0.607 peak 2179 weight 1.00000E+00 volume 4.88292E+06 ppm1 0.549 ppm2 1.254
ASSI { 2181}
(( segid " A" and resid 96 and name HG11))
(( segid " A" and resid 96 and name HA ))
2.903 1.053 1.053 peak 2181 weight 1.00000E+00 volume 9.36250E+05 ppm1 0.552 ppm2 4.456
ASSI { 2187}
(( segid " A" and resid 96 and name HG11))
( segid " A" and resid 96 and name HG2#)
1.713 0.367 0.367 peak 2187 weight 1.00000E+00 volume 2.21625E+07 ppm1 0.430 ppm2 0.551
ASSI { 2188}
(( segid " A" and resid 96 and name HG12))
( segid " A" and resid 96 and name HG2#)
2.293 0.657 0.657 peak 2188 weight 1.00000E+00 volume 3.85644E+06 ppm1 0.429 ppm2 1.264
ASSI { 2195}
(( segid " A" and resid 96 and name HA ))
( segid " A" and resid 96 and name HG2#)
2.368 0.701 0.701 peak 2195 weight 1.00000E+00 volume 3.17448E+06 ppm1 0.429 ppm2 4.462
ASSI { 3875}
( segid " A" and resid 96 and name HD1#)
(( segid " A" and resid 96 and name HG11))
1.988 0.494 0.494 peak 3875 weight 1.00000E+00 volume 9.06200E+06 ppm1 0.548 ppm2 1.256
ASSI { 2697}
(( segid " A" and resid 96 and name HA ))
(( segid " A" and resid 96 and name HN ))
2.831 1.002 1.002 peak 2697 weight 1.00000E+00 volume 5.17800E+07 ppm1 9.105 ppm2 4.446
ASSI { 2703}
( segid " A" and resid 96 and name HD1#)
(( segid " A" and resid 96 and name HN ))
2.627 0.863 0.863 peak 2703 weight 1.00000E+00 volume 8.10100E+07 ppm1 9.104 ppm2 0.540
ASSI { 2704}
(( segid " A" and resid 96 and name HN ))
( segid " A" and resid 96 and name HG2#)
2.956 1.093 1.093 peak 2704 weight 1.00000E+00 volume 3.98900E+07 ppm1 9.103 ppm2 0.427
ASSI { 3883}
( segid " A" and resid 96 and name HG2#)
( segid " A" and resid 97 and name HG# )
2.928 1.071 1.071 peak 3883 weight 1.00000E+00 volume 8.89100E+05 ppm1 0.433 ppm2 2.093
ASSI { 3885}
( segid " A" and resid 96 and name HG2#)
( segid " A" and resid 97 and name HD# )
2.540 0.807 0.807 peak 3885 weight 1.00000E+00 volume 2.08400E+06 ppm1 0.429 ppm2 3.493
ASSI { 1908}
(( segid " A" and resid 96 and name HN ))
(( segid " A" and resid 97 and name HB2 ))
3.921 1.922 1.922 peak 1908 weight 1.00000E+00 volume 7.33088E+06 ppm1 9.111 ppm2 1.820
OR { 1908}
(( segid " A" and resid 87 and name HB ))
(( segid " A" and resid 96 and name HN ))
ASSI { 2696}
(( segid " A" and resid 96 and name HN ))
(( segid " A" and resid 97 and name HA ))
3.311 1.371 1.371 peak 2696 weight 1.00000E+00 volume 2.02100E+07 ppm1 9.105 ppm2 4.824
ASSI { 756}
(( segid " A" and resid 96 and name HG11))
(( segid " A" and resid 107 and name HB2 ))
2.958 1.094 1.094 peak 756 weight 1.00000E+00 volume 8.35866E+05 ppm1 2.535 ppm2 0.582
ASSI { 2190}
( segid " A" and resid 96 and name HG2#)
(( segid " A" and resid 107 and name HD1 ))
2.520 0.794 0.794 peak 2190 weight 1.00000E+00 volume 2.18613E+06 ppm1 0.434 ppm2 1.780
OR { 2190}
(( segid " A" and resid 107 and name HB1 ))
( segid " A" and resid 96 and name HG2#)
ASSI { 2443}
(( segid " A" and resid 96 and name HG11))
( segid " A" and resid 107 and name HD# )
2.482 0.770 0.770 peak 2443 weight 1.00000E+00 volume 2.39484E+06 ppm1 1.779 ppm2 0.718
ASSI { 2447}
(( segid " A" and resid 96 and name HG11))
( segid " A" and resid 107 and name HE# )
2.489 0.775 0.775 peak 2447 weight 1.00000E+00 volume 2.35334E+06 ppm1 3.032 ppm2 0.699
ASSI { 3882}
( segid " A" and resid 96 and name HG2#)
( segid " A" and resid 107 and name HD# )
2.520 0.794 0.794 peak 3882 weight 1.00000E+00 volume 2.18600E+06 ppm1 0.434 ppm2 1.780
ASSI { 3939}
( segid " A" and resid 96 and name HG2#)
( segid " A" and resid 107 and name HE# )
2.773 0.961 0.961 peak 3939 weight 1.00000E+00 volume 1.23100E+06 ppm1 3.030 ppm2 0.447
ASSI { 2198}
(( segid " A" and resid 97 and name HB1 ))
(( segid " A" and resid 97 and name HB2 ))
1.585 0.314 0.314 peak 2198 weight 1.00000E+00 volume 3.52732E+07 ppm1 2.189 ppm2 1.789
ASSI { 2202}
(( segid " A" and resid 97 and name HB2 ))
(( segid " A" and resid 97 and name HA ))
2.438 0.743 0.743 peak 2202 weight 1.00000E+00 volume 2.66565E+06 ppm1 1.804 ppm2 4.866
ASSI { 2203}
(( segid " A" and resid 97 and name HB1 ))
(( segid " A" and resid 97 and name HA ))
2.424 0.734 0.734 peak 2203 weight 1.00000E+00 volume 2.76006E+06 ppm1 2.185 ppm2 4.864
ASSI { 553}
(( segid " A" and resid 97 and name HB2 ))
(( segid " A" and resid 98 and name HN ))
2.745 0.942 0.942 peak 553 weight 1.00000E+00 volume 6.22889E+07 ppm1 8.085 ppm2 1.788
ASSI { 554}
(( segid " A" and resid 97 and name HB1 ))
(( segid " A" and resid 98 and name HN ))
2.694 0.907 0.907 peak 554 weight 1.00000E+00 volume 6.97147E+07 ppm1 8.085 ppm2 2.156
ASSI { 555}
(( segid " A" and resid 97 and name HA ))
(( segid " A" and resid 98 and name HN ))
2.199 0.604 0.604 peak 555 weight 1.00000E+00 volume 2.35665E+08 ppm1 8.083 ppm2 4.844
ASSI { 3893}
( segid " A" and resid 98 and name HG2#)
(( segid " A" and resid 83 and name HB2 ))
2.146 0.576 0.576 peak 3893 weight 1.00000E+00 volume 5.73400E+06 ppm1 0.695 ppm2 1.833
ASSI { 2640}
( segid " A" and resid 98 and name HG2#)
(( segid " A" and resid 83 and name HN ))
2.414 0.729 0.729 peak 2640 weight 1.00000E+00 volume 8.87400E+07 ppm1 8.156 ppm2 0.728
ASSI { 2650}
( segid " A" and resid 98 and name HG2#)
(( segid " A" and resid 86 and name HN ))
2.810 0.987 0.987 peak 2650 weight 1.00000E+00 volume 5.40900E+07 ppm1 8.274 ppm2 0.695
ASSI { 2165}
( segid " A" and resid 98 and name HG2#)
( segid " A" and resid 98 and name HD1#)
1.720 0.370 0.370 peak 2165 weight 1.00000E+00 volume 2.15976E+07 ppm1 0.552 ppm2 0.713
ASSI { 2209}
(( segid " A" and resid 98 and name HB ))
(( segid " A" and resid 98 and name HA ))
2.739 0.937 0.937 peak 2209 weight 1.00000E+00 volume 1.32702E+06 ppm1 1.631 ppm2 4.777
ASSI { 805}
(( segid " A" and resid 98 and name HB ))
(( segid " A" and resid 98 and name HN ))
2.371 0.703 0.703 peak 805 weight 1.00000E+00 volume 1.40369E+08 ppm1 8.083 ppm2 1.607
ASSI { 2213}
(( segid " A" and resid 98 and name HG12))
( segid " A" and resid 98 and name HD1#)
2.004 0.502 0.502 peak 2213 weight 1.00000E+00 volume 8.65174E+06 ppm1 0.554 ppm2 1.187
ASSI { 2214}
(( segid " A" and resid 98 and name HG11))
( segid " A" and resid 98 and name HD1#)
1.997 0.498 0.498 peak 2214 weight 1.00000E+00 volume 8.83472E+06 ppm1 0.557 ppm2 1.329
ASSI { 2219}
( segid " A" and resid 98 and name HD1#)
(( segid " A" and resid 98 and name HA ))
2.227 0.620 0.620 peak 2219 weight 1.00000E+00 volume 4.58954E+06 ppm1 0.553 ppm2 4.755
ASSI { 2226}
(( segid " A" and resid 98 and name HG12))
(( segid " A" and resid 98 and name HG11))
2.100 0.551 0.551 peak 2226 weight 1.00000E+00 volume 6.52818E+06 ppm1 1.326 ppm2 1.195
ASSI { 2229}
( segid " A" and resid 98 and name HG2#)
(( segid " A" and resid 98 and name HG12))
2.516 0.791 0.791 peak 2229 weight 1.00000E+00 volume 2.20693E+06 ppm1 1.190 ppm2 0.688
ASSI { 2230}
( segid " A" and resid 98 and name HG2#)
(( segid " A" and resid 98 and name HG11))
2.410 0.726 0.726 peak 2230 weight 1.00000E+00 volume 2.85549E+06 ppm1 1.329 ppm2 0.734
ASSI { 2232}
(( segid " A" and resid 98 and name HG12))
(( segid " A" and resid 98 and name HB ))
2.393 0.716 0.716 peak 2232 weight 1.00000E+00 volume 2.98329E+06 ppm1 1.195 ppm2 1.614
ASSI { 2233}
(( segid " A" and resid 98 and name HG11))
(( segid " A" and resid 98 and name HB ))
2.149 0.578 0.578 peak 2233 weight 1.00000E+00 volume 5.67694E+06 ppm1 1.329 ppm2 1.614
ASSI { 2205}
( segid " A" and resid 98 and name HG2#)
(( segid " A" and resid 98 and name HB ))
1.965 0.482 0.482 peak 2205 weight 1.00000E+00 volume 6.96827E+06 ppm1 1.625 ppm2 0.689
ASSI { 2249}
( segid " A" and resid 98 and name HG2#)
(( segid " A" and resid 98 and name HA ))
2.056 0.528 0.528 peak 2249 weight 1.00000E+00 volume 7.41834E+06 ppm1 0.694 ppm2 4.759
ASSI { 804}
(( segid " A" and resid 98 and name HA ))
(( segid " A" and resid 98 and name HN ))
2.470 0.763 0.763 peak 804 weight 1.00000E+00 volume 1.17208E+08 ppm1 8.083 ppm2 4.772
ASSI { 1921}
(( segid " A" and resid 98 and name HG12))
(( segid " A" and resid 98 and name HN ))
2.745 0.942 0.942 peak 1921 weight 1.00000E+00 volume 6.23211E+07 ppm1 8.083 ppm2 1.162
ASSI { 2709}
( segid " A" and resid 98 and name HG2#)
(( segid " A" and resid 98 and name HN ))
2.713 0.920 0.920 peak 2709 weight 1.00000E+00 volume 6.67800E+07 ppm1 8.083 ppm2 0.684
ASSI { 2710}
( segid " A" and resid 98 and name HD1#)
(( segid " A" and resid 98 and name HN ))
2.769 0.958 0.958 peak 2710 weight 1.00000E+00 volume 5.91600E+07 ppm1 8.085 ppm2 0.544
ASSI { 3878}
( segid " A" and resid 98 and name HD1#)
(( segid " A" and resid 99 and name HN ))
2.456 0.754 0.754 peak 3878 weight 1.00000E+00 volume 2.55300E+06 ppm1 0.549 ppm2 9.081
ASSI { 3898}
( segid " A" and resid 98 and name HG2#)
(( segid " A" and resid 99 and name HN ))
2.230 0.622 0.622 peak 3898 weight 1.00000E+00 volume 4.55100E+06 ppm1 0.694 ppm2 9.086
ASSI { 418}
(( segid " A" and resid 98 and name HN ))
(( segid " A" and resid 99 and name HN ))
3.210 1.288 1.288 peak 418 weight 1.00000E+00 volume 1.50815E+07 ppm1 9.084 ppm2 8.080
ASSI { 3891}
( segid " A" and resid 98 and name HD1#)
(( segid " A" and resid 105 and name HN ))
2.811 0.988 0.988 peak 3891 weight 1.00000E+00 volume 1.13400E+06 ppm1 0.554 ppm2 8.292
ASSI { 3897}
( segid " A" and resid 98 and name HG2#)
(( segid " A" and resid 105 and name HN ))
2.658 0.883 0.883 peak 3897 weight 1.00000E+00 volume 1.58600E+06 ppm1 0.697 ppm2 8.319
ASSI { 2734}
( segid " A" and resid 98 and name HD1#)
(( segid " A" and resid 106 and name HN ))
3.396 1.442 1.442 peak 2734 weight 1.00000E+00 volume 1.73600E+07 ppm1 8.222 ppm2 0.538
ASSI { 2260}
(( segid " A" and resid 99 and name HB2 ))
(( segid " A" and resid 99 and name HB1 ))
1.888 0.445 0.445 peak 2260 weight 1.00000E+00 volume 1.18334E+07 ppm1 3.049 ppm2 3.211
ASSI { 2262}
(( segid " A" and resid 99 and name HB1 ))
(( segid " A" and resid 99 and name HA ))
2.251 0.633 0.633 peak 2262 weight 1.00000E+00 volume 4.30743E+06 ppm1 3.217 ppm2 4.931
ASSI { 2263}
(( segid " A" and resid 99 and name HB2 ))
(( segid " A" and resid 99 and name HA ))
2.286 0.653 0.653 peak 2263 weight 1.00000E+00 volume 3.92440E+06 ppm1 3.047 ppm2 4.921
ASSI { 2264}
(( segid " A" and resid 99 and name HB1 ))
(( segid " A" and resid 100 and name HN ))
2.597 0.843 0.843 peak 2264 weight 1.00000E+00 volume 1.82415E+06 ppm1 3.223 ppm2 8.257
ASSI { 556}
(( segid " A" and resid 99 and name HB2 ))
(( segid " A" and resid 100 and name HN ))
2.398 0.719 0.719 peak 556 weight 1.00000E+00 volume 1.40000E+08 ppm1 8.213 ppm2 3.001
ASSI { 559}
(( segid " A" and resid 99 and name HA ))
(( segid " A" and resid 100 and name HN ))
2.250 0.633 0.633 peak 559 weight 1.00000E+00 volume 2.05095E+08 ppm1 8.214 ppm2 4.882
ASSI { 420}
(( segid " A" and resid 100 and name HN ))
(( segid " A" and resid 99 and name HN ))
3.612 1.631 1.631 peak 420 weight 1.00000E+00 volume 1.19859E+07 ppm1 8.217 ppm2 9.081
ASSI { 2267}
(( segid " A" and resid 100 and name HA2 ))
(( segid " A" and resid 100 and name HA1 ))
2.107 0.555 0.555 peak 2267 weight 1.00000E+00 volume 6.40213E+06 ppm1 4.185 ppm2 3.669
ASSI { 806}
(( segid " A" and resid 100 and name HN ))
(( segid " A" and resid 100 and name HA2 ))
2.513 0.789 0.789 peak 806 weight 1.00000E+00 volume 1.05874E+08 ppm1 8.215 ppm2 4.150
ASSI { 807}
(( segid " A" and resid 100 and name HN ))
(( segid " A" and resid 100 and name HA1 ))
2.373 0.704 0.704 peak 807 weight 1.00000E+00 volume 1.49151E+08 ppm1 8.214 ppm2 3.658
ASSI { 2268}
(( segid " A" and resid 100 and name HA2 ))
(( segid " A" and resid 101 and name HN ))
2.540 0.807 0.807 peak 2268 weight 1.00000E+00 volume 2.08300E+06 ppm1 4.194 ppm2 7.552
ASSI { 316}
(( segid " A" and resid 100 and name HN ))
(( segid " A" and resid 101 and name HN ))
2.775 0.963 0.963 peak 316 weight 1.00000E+00 volume 3.66326E+07 ppm1 8.213 ppm2 7.521
ASSI { 560}
(( segid " A" and resid 100 and name HA1 ))
(( segid " A" and resid 101 and name HN ))
2.098 0.550 0.550 peak 560 weight 1.00000E+00 volume 3.12722E+08 ppm1 7.525 ppm2 3.657
ASSI { 1958}
(( segid " A" and resid 100 and name HA2 ))
(( segid " A" and resid 105 and name HN ))
2.844 1.011 1.011 peak 1958 weight 1.00000E+00 volume 5.03553E+07 ppm1 8.312 ppm2 4.142
ASSI { 1959}
(( segid " A" and resid 100 and name HA1 ))
(( segid " A" and resid 105 and name HN ))
3.179 1.263 1.263 peak 1959 weight 1.00000E+00 volume 2.58071E+07 ppm1 8.318 ppm2 3.660
ASSI { 2714}
(( segid " A" and resid 100 and name HN ))
(( segid " A" and resid 105 and name HG1 ))
3.502 1.533 1.533 peak 2714 weight 1.00000E+00 volume 1.44500E+07 ppm1 8.218 ppm2 1.952
ASSI { 2273}
(( segid " A" and resid 101 and name HB1 ))
(( segid " A" and resid 101 and name HB2 ))
1.593 0.317 0.317 peak 2273 weight 1.00000E+00 volume 3.42584E+07 ppm1 2.658 ppm2 2.529
ASSI { 2276}
(( segid " A" and resid 101 and name HB1 ))
(( segid " A" and resid 101 and name HA ))
2.234 0.624 0.624 peak 2276 weight 1.00000E+00 volume 4.50106E+06 ppm1 2.656 ppm2 4.470
ASSI { 2277}
(( segid " A" and resid 101 and name HB2 ))
(( segid " A" and resid 101 and name HA ))
2.402 0.721 0.721 peak 2277 weight 1.00000E+00 volume 2.91768E+06 ppm1 2.527 ppm2 4.466
ASSI { 809}
(( segid " A" and resid 101 and name HN ))
(( segid " A" and resid 101 and name HB1 ))
2.460 0.756 0.756 peak 809 weight 1.00000E+00 volume 1.20200E+08 ppm1 7.525 ppm2 2.648
ASSI { 808}
(( segid " A" and resid 101 and name HN ))
(( segid " A" and resid 101 and name HB2 ))
2.449 0.750 0.750 peak 808 weight 1.00000E+00 volume 1.23362E+08 ppm1 7.525 ppm2 2.513
ASSI { 810}
(( segid " A" and resid 101 and name HN ))
(( segid " A" and resid 101 and name HA ))
2.296 0.659 0.659 peak 810 weight 1.00000E+00 volume 1.82074E+08 ppm1 7.525 ppm2 4.443
ASSI { 811}
(( segid " A" and resid 101 and name HN ))
(( segid " A" and resid 102 and name HN ))
3.653 1.668 1.668 peak 811 weight 1.00000E+00 volume 1.12169E+07 ppm1 7.522 ppm2 8.063
ASSI { 2717}
(( segid " A" and resid 101 and name HN ))
(( segid " A" and resid 103 and name HG1 ))
3.123 1.219 1.219 peak 2717 weight 1.00000E+00 volume 2.87000E+07 ppm1 7.528 ppm2 1.899
ASSI { 2716}
(( segid " A" and resid 102 and name HB1 ))
(( segid " A" and resid 101 and name HN ))
3.438 1.478 1.478 peak 2716 weight 1.00000E+00 volume 1.61200E+07 ppm1 7.522 ppm2 2.795
ASSI { 1306}
(( segid " A" and resid 102 and name HB2 ))
(( segid " A" and resid 102 and name HA ))
2.160 0.583 0.583 peak 1306 weight 1.00000E+00 volume 5.51851E+06 ppm1 2.617 ppm2 4.757
ASSI { 1301}
(( segid " A" and resid 102 and name HB2 ))
(( segid " A" and resid 102 and name HB1 ))
1.606 0.322 0.322 peak 1301 weight 1.00000E+00 volume 2.22390E+07 ppm1 2.615 ppm2 2.791
ASSI { 1304}
(( segid " A" and resid 102 and name HB2 ))
(( segid " A" and resid 103 and name HD1 ))
2.708 0.917 0.917 peak 1304 weight 1.00000E+00 volume 1.41941E+06 ppm1 2.631 ppm2 3.637
ASSI { 2290}
(( segid " A" and resid 103 and name HB1 ))
(( segid " A" and resid 103 and name HB2 ))
1.990 0.495 0.495 peak 2290 weight 1.00000E+00 volume 8.38175E+06 ppm1 2.208 ppm2 2.373
ASSI { 2296}
(( segid " A" and resid 103 and name HD2 ))
(( segid " A" and resid 103 and name HB2 ))
2.776 0.963 0.963 peak 2296 weight 1.00000E+00 volume 1.16082E+06 ppm1 2.379 ppm2 3.506
ASSI { 2297}
(( segid " A" and resid 103 and name HD2 ))
(( segid " A" and resid 103 and name HB1 ))
2.903 1.053 1.053 peak 2297 weight 1.00000E+00 volume 9.35420E+05 ppm1 2.196 ppm2 3.504
ASSI { 2298}
(( segid " A" and resid 103 and name HB2 ))
(( segid " A" and resid 103 and name HA ))
2.310 0.667 0.667 peak 2298 weight 1.00000E+00 volume 3.68873E+06 ppm1 2.375 ppm2 4.792
ASSI { 2299}
(( segid " A" and resid 103 and name HB1 ))
(( segid " A" and resid 103 and name HA ))
2.371 0.703 0.703 peak 2299 weight 1.00000E+00 volume 3.14808E+06 ppm1 2.207 ppm2 4.814
ASSI { 2305}
(( segid " A" and resid 103 and name HD1 ))
(( segid " A" and resid 103 and name HD2 ))
1.786 0.399 0.399 peak 2305 weight 1.00000E+00 volume 1.68584E+07 ppm1 3.603 ppm2 3.469
ASSI { 2318}
(( segid " A" and resid 103 and name HG2 ))
(( segid " A" and resid 103 and name HG1 ))
1.721 0.370 0.370 peak 2318 weight 1.00000E+00 volume 1.28073E+07 ppm1 1.773 ppm2 1.901
ASSI { 2325}
(( segid " A" and resid 103 and name HB2 ))
(( segid " A" and resid 103 and name HG2 ))
2.542 0.807 0.807 peak 2325 weight 1.00000E+00 volume 2.07703E+06 ppm1 1.765 ppm2 2.359
ASSI { 2326}
(( segid " A" and resid 103 and name HD2 ))
(( segid " A" and resid 103 and name HG1 ))
2.268 0.643 0.643 peak 2326 weight 1.00000E+00 volume 4.11527E+06 ppm1 1.903 ppm2 3.474
ASSI { 2311}
(( segid " A" and resid 103 and name HD2 ))
(( segid " A" and resid 103 and name HG2 ))
2.134 0.569 0.569 peak 2311 weight 1.00000E+00 volume 5.92919E+06 ppm1 3.466 ppm2 1.779
ASSI { 2328}
(( segid " A" and resid 103 and name HD1 ))
(( segid " A" and resid 103 and name HG1 ))
2.313 0.669 0.669 peak 2328 weight 1.00000E+00 volume 3.65856E+06 ppm1 1.907 ppm2 3.621
ASSI { 2310}
(( segid " A" and resid 103 and name HD1 ))
(( segid " A" and resid 103 and name HG2 ))
2.105 0.554 0.554 peak 2310 weight 1.00000E+00 volume 6.43615E+06 ppm1 3.610 ppm2 1.782
ASSI { 3899}
(( segid " A" and resid 103 and name HB1 ))
(( segid " A" and resid 103 and name HG1 ))
2.488 0.774 0.774 peak 3899 weight 1.00000E+00 volume 2.35900E+06 ppm1 1.904 ppm2 2.361
ASSI { 2300}
(( segid " A" and resid 103 and name HB2 ))
(( segid " A" and resid 104 and name HN ))
2.825 0.998 0.998 peak 2300 weight 1.00000E+00 volume 1.10082E+06 ppm1 2.378 ppm2 8.665
ASSI { 562}
(( segid " A" and resid 103 and name HB1 ))
(( segid " A" and resid 104 and name HN ))
2.435 0.741 0.741 peak 562 weight 1.00000E+00 volume 1.27652E+08 ppm1 8.677 ppm2 2.188
ASSI { 564}
(( segid " A" and resid 103 and name HA ))
(( segid " A" and resid 104 and name HN ))
2.281 0.650 0.650 peak 564 weight 1.00000E+00 volume 1.89124E+08 ppm1 8.676 ppm2 4.766
ASSI { 2754}
(( segid " A" and resid 103 and name HB1 ))
(( segid " A" and resid 110 and name HN ))
4.070 2.071 2.071 peak 2754 weight 1.00000E+00 volume 5.86000E+06 ppm1 8.793 ppm2 2.191
OR { 2754}
(( segid " A" and resid 110 and name HN ))
(( segid " A" and resid 111 and name HB ))
ASSI { 2600}
(( segid " A" and resid 103 and name HB1 ))
(( segid " A" and resid 111 and name HN ))
3.487 1.520 1.520 peak 2600 weight 1.00000E+00 volume 1.48100E+07 ppm1 8.446 ppm2 2.389
ASSI { 2601}
(( segid " A" and resid 103 and name HG1 ))
(( segid " A" and resid 111 and name HN ))
2.798 0.979 0.979 peak 2601 weight 1.00000E+00 volume 5.54600E+07 ppm1 8.450 ppm2 1.909
ASSI { 2610}
( segid " A" and resid 104 and name HD1#)
(( segid " A" and resid 79 and name HN ))
3.131 1.226 1.226 peak 2610 weight 1.00000E+00 volume 2.82600E+07 ppm1 11.646 ppm2 0.623
ASSI { 1951}
(( segid " A" and resid 104 and name HN ))
(( segid " A" and resid 103 and name HG2 ))
3.471 1.506 1.506 peak 1951 weight 1.00000E+00 volume 1.52363E+07 ppm1 8.675 ppm2 1.758
ASSI { 2072}
(( segid " A" and resid 104 and name HN ))
(( segid " A" and resid 103 and name HG1 ))
3.199 1.280 1.280 peak 2072 weight 1.00000E+00 volume 2.48347E+07 ppm1 8.667 ppm2 1.910
OR { 2072}
(( segid " A" and resid 104 and name HN ))
(( segid " A" and resid 105 and name HG2 ))
ASSI { 2720}
(( segid " A" and resid 104 and name HN ))
(( segid " A" and resid 103 and name HG1 ))
3.090 1.193 1.193 peak 2720 weight 1.00000E+00 volume 3.06300E+07 ppm1 8.671 ppm2 1.901
ASSI { 2334}
(( segid " A" and resid 104 and name HA ))
( segid " A" and resid 104 and name HD2#)
2.189 0.599 0.599 peak 2334 weight 1.00000E+00 volume 5.08422E+06 ppm1 4.015 ppm2 0.693
ASSI { 812}
(( segid " A" and resid 104 and name HN ))
(( segid " A" and resid 104 and name HA ))
2.612 0.853 0.853 peak 812 weight 1.00000E+00 volume 7.55917E+07 ppm1 8.676 ppm2 4.002
ASSI { 2343}
(( segid " A" and resid 104 and name HB2 ))
(( segid " A" and resid 104 and name HB1 ))
1.850 0.428 0.428 peak 2343 weight 1.00000E+00 volume 1.32482E+07 ppm1 1.398 ppm2 1.337
ASSI { 2346}
(( segid " A" and resid 104 and name HB1 ))
( segid " A" and resid 104 and name HD2#)
2.072 0.537 0.537 peak 2346 weight 1.00000E+00 volume 7.07339E+06 ppm1 1.335 ppm2 0.709
ASSI { 2351}
(( segid " A" and resid 104 and name HB2 ))
(( segid " A" and resid 104 and name HA ))
2.571 0.826 0.826 peak 2351 weight 1.00000E+00 volume 1.93894E+06 ppm1 1.398 ppm2 4.016
ASSI { 2352}
(( segid " A" and resid 104 and name HB1 ))
(( segid " A" and resid 104 and name HA ))
2.668 0.889 0.889 peak 2352 weight 1.00000E+00 volume 1.55382E+06 ppm1 1.336 ppm2 4.018
ASSI { 813}
(( segid " A" and resid 104 and name HB1 ))
(( segid " A" and resid 104 and name HN ))
2.213 0.612 0.612 peak 813 weight 1.00000E+00 volume 2.26721E+08 ppm1 8.674 ppm2 1.343
ASSI { 2361}
(( segid " A" and resid 104 and name HB1 ))
( segid " A" and resid 104 and name HD1#)
1.961 0.481 0.481 peak 2361 weight 1.00000E+00 volume 9.85065E+06 ppm1 0.625 ppm2 1.340
ASSI { 2362}
( segid " A" and resid 104 and name HD1#)
(( segid " A" and resid 104 and name HG ))
1.754 0.385 0.385 peak 2362 weight 1.00000E+00 volume 1.92257E+07 ppm1 0.627 ppm2 1.491
ASSI { 1173}
(( segid " A" and resid 104 and name HB2 ))
(( segid " A" and resid 104 and name HN ))
2.150 0.578 0.578 peak 1173 weight 1.00000E+00 volume 2.69578E+08 ppm1 8.672 ppm2 1.408
ASSI { 3902}
(( segid " A" and resid 104 and name HA ))
(( segid " A" and resid 105 and name HG2 ))
2.618 0.857 0.857 peak 3902 weight 1.00000E+00 volume 1.73700E+06 ppm1 4.016 ppm2 1.919
ASSI { 2726}
( segid " A" and resid 104 and name HD2#)
(( segid " A" and resid 105 and name HN ))
2.236 0.625 0.625 peak 2726 weight 1.00000E+00 volume 2.12900E+08 ppm1 8.314 ppm2 0.712
ASSI { 567}
(( segid " A" and resid 104 and name HA ))
(( segid " A" and resid 105 and name HN ))
2.063 0.532 0.532 peak 567 weight 1.00000E+00 volume 3.45520E+08 ppm1 8.314 ppm2 4.002
ASSI { 2213}
( segid " A" and resid 104 and name HB# )
(( segid " A" and resid 105 and name HN ))
2.770 0.959 0.959 peak 2213 weight 1.00000E+00 volume 5.89956E+07 ppm1 8.313 ppm2 1.343
ASSI { 2728}
( segid " A" and resid 104 and name HD1#)
(( segid " A" and resid 105 and name HN ))
2.673 0.893 0.893 peak 2728 weight 1.00000E+00 volume 7.30500E+07 ppm1 8.314 ppm2 0.611
ASSI { 2837}
(( segid " A" and resid 104 and name HN ))
(( segid " A" and resid 105 and name HN ))
3.247 1.318 1.318 peak 2837 weight 1.00000E+00 volume 2.27200E+07 ppm1 8.311 ppm2 8.667
ASSI { 2840}
(( segid " A" and resid 104 and name HB2 ))
(( segid " A" and resid 105 and name HN ))
2.770 0.959 0.959 peak 2840 weight 1.00000E+00 volume 5.90000E+07 ppm1 8.313 ppm2 1.343
ASSI { 2214}
( segid " A" and resid 104 and name HD2#)
(( segid " A" and resid 105 and name HN ))
2.475 0.765 0.765 peak 2214 weight 1.00000E+00 volume 1.15988E+08 ppm1 8.316 ppm2 0.727
OR { 2214}
( segid " A" and resid 98 and name HG2#)
(( segid " A" and resid 105 and name HN ))
ASSI { 3904}
(( segid " A" and resid 104 and name HB2 ))
(( segid " A" and resid 111 and name HB ))
2.615 0.855 0.855 peak 3904 weight 1.00000E+00 volume 1.74900E+06 ppm1 1.393 ppm2 2.156
ASSI { 3905}
(( segid " A" and resid 104 and name HB1 ))
(( segid " A" and resid 111 and name HB ))
2.617 0.856 0.856 peak 3905 weight 1.00000E+00 volume 1.74400E+06 ppm1 1.337 ppm2 2.158
ASSI { 2071}
(( segid " A" and resid 104 and name HN ))
(( segid " A" and resid 111 and name HB ))
2.658 0.883 0.883 peak 2071 weight 1.00000E+00 volume 7.55028E+07 ppm1 8.672 ppm2 2.188
OR { 2071}
(( segid " A" and resid 103 and name HB1 ))
(( segid " A" and resid 104 and name HN ))
ASSI { 2595}
(( segid " A" and resid 104 and name HN ))
(( segid " A" and resid 111 and name HN ))
2.943 1.082 1.082 peak 2595 weight 1.00000E+00 volume 4.10300E+07 ppm1 8.446 ppm2 8.684
ASSI { 2604}
(( segid " A" and resid 104 and name HB2 ))
(( segid " A" and resid 111 and name HN ))
2.803 0.982 0.982 peak 2604 weight 1.00000E+00 volume 5.49600E+07 ppm1 8.447 ppm2 1.350
ASSI { 2780}
(( segid " A" and resid 104 and name HN ))
(( segid " A" and resid 111 and name HB ))
2.658 0.883 0.883 peak 2780 weight 1.00000E+00 volume 7.55000E+07 ppm1 8.672 ppm2 2.188
ASSI { 3978}
( segid " A" and resid 104 and name HD1#)
( segid " A" and resid 114 and name HB# )
2.464 0.759 0.759 peak 3978 weight 1.00000E+00 volume 2.50300E+06 ppm1 1.492 ppm2 0.651
ASSI { 2296}
(( segid " A" and resid 105 and name HN ))
(( segid " A" and resid 99 and name HN ))
2.883 1.039 1.039 peak 2296 weight 1.00000E+00 volume 4.64300E+07 ppm1 8.314 ppm2 9.080
ASSI { 566}
(( segid " A" and resid 105 and name HN ))
(( segid " A" and resid 104 and name HG ))
2.256 0.636 0.636 peak 566 weight 1.00000E+00 volume 2.02209E+08 ppm1 8.315 ppm2 1.477
ASSI { 2379}
(( segid " A" and resid 105 and name HB1 ))
(( segid " A" and resid 105 and name HB2 ))
2.246 0.631 0.631 peak 2379 weight 1.00000E+00 volume 4.36053E+06 ppm1 1.512 ppm2 0.861
ASSI { 2382}
(( segid " A" and resid 105 and name HB1 ))
(( segid " A" and resid 105 and name HG2 ))
2.309 0.666 0.666 peak 2382 weight 1.00000E+00 volume 3.69349E+06 ppm1 1.514 ppm2 1.933
ASSI { 2383}
(( segid " A" and resid 105 and name HB2 ))
(( segid " A" and resid 105 and name HG2 ))
2.711 0.918 0.918 peak 2383 weight 1.00000E+00 volume 1.41125E+06 ppm1 0.873 ppm2 1.923
ASSI { 2385}
(( segid " A" and resid 105 and name HB1 ))
( segid " A" and resid 105 and name HG# )
2.261 0.639 0.639 peak 2385 weight 1.00000E+00 volume 4.18551E+06 ppm1 1.944 ppm2 1.500
ASSI { 2386}
(( segid " A" and resid 105 and name HB2 ))
( segid " A" and resid 105 and name HG# )
2.192 0.601 0.601 peak 2386 weight 1.00000E+00 volume 5.04831E+06 ppm1 1.944 ppm2 0.854
ASSI { 3920}
( segid " A" and resid 105 and name HG# )
(( segid " A" and resid 105 and name HA ))
2.596 0.842 0.842 peak 3920 weight 1.00000E+00 volume 1.83100E+06 ppm1 1.946 ppm2 4.821
ASSI { 1955}
(( segid " A" and resid 105 and name HN ))
(( segid " A" and resid 105 and name HA ))
2.581 0.832 0.832 peak 1955 weight 1.00000E+00 volume 9.01978E+07 ppm1 8.313 ppm2 4.822
ASSI { 1961}
(( segid " A" and resid 105 and name HN ))
(( segid " A" and resid 105 and name HG2 ))
2.466 0.760 0.760 peak 1961 weight 1.00000E+00 volume 1.18425E+08 ppm1 8.313 ppm2 1.908
ASSI { 1962}
(( segid " A" and resid 105 and name HN ))
(( segid " A" and resid 111 and name HB ))
3.572 1.595 1.595 peak 1962 weight 1.00000E+00 volume 1.28144E+07 ppm1 8.306 ppm2 2.174
ASSI { 3928}
( segid " A" and resid 106 and name HG2#)
(( segid " A" and resid 39 and name HB2 ))
2.728 0.931 0.931 peak 3928 weight 1.00000E+00 volume 1.35700E+06 ppm1 -0.153 ppm2 3.077
ASSI { 4295}
( segid " A" and resid 106 and name HG1#)
( segid " A" and resid 39 and name HD# )
2.467 0.760 0.760 peak 4295 weight 1.00000E+00 volume 2.48595E+06 ppm1 0.261 ppm2 7.078
ASSI { 3828}
( segid " A" and resid 106 and name HG2#)
( segid " A" and resid 88 and name HG2#)
2.966 1.100 1.100 peak 3828 weight 1.00000E+00 volume 8.22200E+05 ppm1 0.691 ppm2 -0.183
ASSI { 2183}
( segid " A" and resid 106 and name HG2#)
( segid " A" and resid 96 and name HG2#)
1.931 0.466 0.466 peak 2183 weight 1.00000E+00 volume 8.87296E+06 ppm1 0.428 ppm2 -0.144
ASSI { 2391}
(( segid " A" and resid 106 and name HA ))
( segid " A" and resid 98 and name HD1#)
2.303 0.663 0.663 peak 2391 weight 1.00000E+00 volume 1.71420E+06 ppm1 4.035 ppm2 0.517
ASSI { 2393}
(( segid " A" and resid 106 and name HA ))
(( segid " A" and resid 98 and name HA ))
2.654 0.881 0.881 peak 2393 weight 1.00000E+00 volume 1.60054E+06 ppm1 4.034 ppm2 4.732
ASSI { 3907}
( segid " A" and resid 106 and name HG1#)
( segid " A" and resid 104 and name HD1#)
2.326 0.676 0.676 peak 3907 weight 1.00000E+00 volume 3.53600E+06 ppm1 0.621 ppm2 0.273
ASSI { 1968}
( segid " A" and resid 106 and name HG1#)
(( segid " A" and resid 105 and name HN ))
3.410 1.454 1.454 peak 1968 weight 1.00000E+00 volume 1.69315E+07 ppm1 8.324 ppm2 0.241
ASSI { 2730}
(( segid " A" and resid 106 and name HN ))
(( segid " A" and resid 105 and name HA ))
2.325 0.675 0.675 peak 2730 weight 1.00000E+00 volume 1.68800E+08 ppm1 8.220 ppm2 4.833
ASSI { 439}
(( segid " A" and resid 106 and name HA ))
( segid " A" and resid 106 and name HG1#)
2.490 0.775 0.775 peak 439 weight 1.00000E+00 volume 2.34679E+06 ppm1 4.034 ppm2 0.257
ASSI { 2398}
( segid " A" and resid 106 and name HG1#)
(( segid " A" and resid 106 and name HB ))
1.989 0.495 0.495 peak 2398 weight 1.00000E+00 volume 4.79272E+06 ppm1 1.279 ppm2 0.251
ASSI { 2400}
(( segid " A" and resid 106 and name HA ))
(( segid " A" and resid 106 and name HB ))
2.914 1.061 1.061 peak 2400 weight 1.00000E+00 volume 9.15156E+05 ppm1 1.277 ppm2 4.051
ASSI { 2405}
( segid " A" and resid 106 and name HG1#)
( segid " A" and resid 106 and name HG2#)
1.806 0.408 0.408 peak 2405 weight 1.00000E+00 volume 1.61280E+07 ppm1 -0.147 ppm2 0.241
ASSI { 2399}
( segid " A" and resid 106 and name HG2#)
(( segid " A" and resid 106 and name HB ))
1.998 0.499 0.499 peak 2399 weight 1.00000E+00 volume 3.47223E+06 ppm1 1.277 ppm2 -0.144
ASSI { 440}
(( segid " A" and resid 106 and name HA ))
( segid " A" and resid 106 and name HG2#)
2.310 0.667 0.667 peak 440 weight 1.00000E+00 volume 1.71364E+06 ppm1 4.033 ppm2 -0.179
ASSI { 1978}
( segid " A" and resid 106 and name HG1#)
(( segid " A" and resid 106 and name HN ))
2.488 0.773 0.773 peak 1978 weight 1.00000E+00 volume 7.04040E+07 ppm1 8.219 ppm2 0.246
ASSI { 816}
(( segid " A" and resid 106 and name HA ))
(( segid " A" and resid 106 and name HN ))
2.811 0.988 0.988 peak 816 weight 1.00000E+00 volume 5.39846E+07 ppm1 8.221 ppm2 4.025
ASSI { 817}
(( segid " A" and resid 106 and name HB ))
(( segid " A" and resid 106 and name HN ))
2.512 0.789 0.789 peak 817 weight 1.00000E+00 volume 1.06088E+08 ppm1 8.220 ppm2 1.260
ASSI { 2735}
( segid " A" and resid 106 and name HG2#)
(( segid " A" and resid 106 and name HN ))
3.105 1.205 1.205 peak 2735 weight 1.00000E+00 volume 2.97300E+07 ppm1 8.220 ppm2 -0.168
ASSI { 437}
(( segid " A" and resid 106 and name HA ))
(( segid " A" and resid 107 and name HN ))
2.373 0.704 0.704 peak 437 weight 1.00000E+00 volume 5.21590E+07 ppm1 8.799 ppm2 4.033
ASSI { 3930}
( segid " A" and resid 106 and name HG2#)
(( segid " A" and resid 107 and name HN ))
2.566 0.823 0.823 peak 3930 weight 1.00000E+00 volume 1.96200E+06 ppm1 -0.143 ppm2 8.798
ASSI { 3936}
( segid " A" and resid 106 and name HG1#)
(( segid " A" and resid 107 and name HG1 ))
2.944 1.084 1.084 peak 3936 weight 1.00000E+00 volume 8.59000E+05 ppm1 0.261 ppm2 1.669
ASSI { 438}
(( segid " A" and resid 106 and name HB ))
(( segid " A" and resid 107 and name HN ))
3.392 1.438 1.438 peak 438 weight 1.00000E+00 volume 1.74961E+07 ppm1 8.800 ppm2 1.294
ASSI { 2477}
( segid " A" and resid 106 and name HG2#)
( segid " A" and resid 109 and name HB# )
2.305 0.664 0.664 peak 2477 weight 1.00000E+00 volume 2.43953E+06 ppm1 1.493 ppm2 -0.125
ASSI { 2478}
( segid " A" and resid 106 and name HG1#)
( segid " A" and resid 109 and name HB# )
2.269 0.643 0.643 peak 2478 weight 1.00000E+00 volume 2.88136E+06 ppm1 1.490 ppm2 0.252
ASSI { 1969}
(( segid " A" and resid 106 and name HN ))
(( segid " A" and resid 109 and name HN ))
2.842 1.009 1.009 peak 1969 weight 1.00000E+00 volume 3.94901E+07 ppm1 8.220 ppm2 8.701
ASSI { 2012}
( segid " A" and resid 106 and name HG1#)
(( segid " A" and resid 109 and name HN ))
3.123 1.219 1.219 peak 2012 weight 1.00000E+00 volume 2.87126E+07 ppm1 8.712 ppm2 0.218
ASSI { 2013}
( segid " A" and resid 106 and name HG2#)
(( segid " A" and resid 109 and name HN ))
3.251 1.321 1.321 peak 2013 weight 1.00000E+00 volume 2.25548E+07 ppm1 8.711 ppm2 -0.184
ASSI { 2732}
(( segid " A" and resid 106 and name HN ))
( segid " A" and resid 109 and name HB# )
2.525 0.797 0.797 peak 2732 weight 1.00000E+00 volume 1.02900E+08 ppm1 8.219 ppm2 1.478
ASSI { 2746}
(( segid " A" and resid 106 and name HA ))
(( segid " A" and resid 109 and name HN ))
3.406 1.450 1.450 peak 2746 weight 1.00000E+00 volume 1.70500E+07 ppm1 8.709 ppm2 4.051
ASSI { 3937}
( segid " A" and resid 106 and name HG1#)
(( segid " A" and resid 111 and name HB ))
2.993 1.120 1.120 peak 3937 weight 1.00000E+00 volume 7.78300E+05 ppm1 0.262 ppm2 2.157
ASSI { 1764}
( segid " A" and resid 106 and name HG1#)
(( segid " A" and resid 111 and name HN ))
3.298 1.360 1.360 peak 1764 weight 1.00000E+00 volume 2.06919E+07 ppm1 8.452 ppm2 0.244
ASSI { 2729}
(( segid " A" and resid 106 and name HN ))
(( segid " A" and resid 111 and name HN ))
2.976 1.107 1.107 peak 2729 weight 1.00000E+00 volume 3.83200E+07 ppm1 8.220 ppm2 8.442
ASSI { 2424}
( segid " A" and resid 106 and name HG1#)
( segid " A" and resid 126 and name HG2#)
2.199 0.605 0.605 peak 2424 weight 1.00000E+00 volume 4.94638E+06 ppm1 0.261 ppm2 0.934
ASSI { 2846}
( segid " A" and resid 106 and name HG2#)
( segid " A" and resid 126 and name HG2#)
2.380 0.708 0.708 peak 2846 weight 1.00000E+00 volume 1.56080E+06 ppm1 0.915 ppm2 -0.144
ASSI { 4053}
( segid " A" and resid 106 and name HG2#)
( segid " A" and resid 126 and name HD1#)
2.705 0.915 0.915 peak 4053 weight 1.00000E+00 volume 1.42900E+06 ppm1 1.141 ppm2 -0.131
ASSI { 2438}
(( segid " A" and resid 107 and name HB1 ))
( segid " A" and resid 96 and name HG2#)
2.697 0.910 0.910 peak 2438 weight 1.00000E+00 volume 1.45327E+06 ppm1 1.502 ppm2 0.460
ASSI { 3884}
(( segid " A" and resid 107 and name HB2 ))
( segid " A" and resid 96 and name HG2#)
2.619 0.858 0.858 peak 3884 weight 1.00000E+00 volume 1.73400E+06 ppm1 0.433 ppm2 2.500
ASSI { 2739}
(( segid " A" and resid 107 and name HN ))
( segid " A" and resid 97 and name HG# )
3.415 1.458 1.458 peak 2739 weight 1.00000E+00 volume 1.68000E+07 ppm1 8.800 ppm2 2.055
ASSI { 759}
(( segid " A" and resid 107 and name HB2 ))
(( segid " A" and resid 107 and name HG2 ))
2.820 0.994 0.994 peak 759 weight 1.00000E+00 volume 1.11351E+06 ppm1 2.513 ppm2 1.295
ASSI { 761}
(( segid " A" and resid 107 and name HB2 ))
(( segid " A" and resid 107 and name HB1 ))
2.474 0.765 0.765 peak 761 weight 1.00000E+00 volume 2.44318E+06 ppm1 2.515 ppm2 1.725
ASSI { 2436}
(( segid " A" and resid 107 and name HB1 ))
(( segid " A" and resid 107 and name HG1 ))
2.492 0.777 0.777 peak 2436 weight 1.00000E+00 volume 2.33482E+06 ppm1 1.501 ppm2 1.731
ASSI { 2439}
(( segid " A" and resid 107 and name HB2 ))
( segid " A" and resid 107 and name HD# )
2.682 0.899 0.899 peak 2439 weight 1.00000E+00 volume 1.50432E+06 ppm1 1.795 ppm2 2.489
ASSI { 2448}
(( segid " A" and resid 107 and name HG2 ))
( segid " A" and resid 107 and name HE# )
2.211 0.611 0.611 peak 2448 weight 1.00000E+00 volume 4.79399E+06 ppm1 3.031 ppm2 1.355
ASSI { 2449}
( segid " A" and resid 107 and name HD# )
( segid " A" and resid 107 and name HE# )
1.913 0.458 0.458 peak 2449 weight 1.00000E+00 volume 1.14177E+07 ppm1 3.032 ppm2 1.766
ASSI { 2457}
(( segid " A" and resid 107 and name HG2 ))
(( segid " A" and resid 107 and name HG1 ))
2.210 0.610 0.610 peak 2457 weight 1.00000E+00 volume 4.80601E+06 ppm1 1.358 ppm2 1.705
ASSI { 2459}
(( segid " A" and resid 107 and name HB2 ))
(( segid " A" and resid 107 and name HG1 ))
2.474 0.765 0.765 peak 2459 weight 1.00000E+00 volume 1.78141E+06 ppm1 1.699 ppm2 2.497
ASSI { 2462}
(( segid " A" and resid 107 and name HG1 ))
( segid " A" and resid 107 and name HE# )
2.616 0.856 0.856 peak 2462 weight 1.00000E+00 volume 1.74530E+06 ppm1 1.698 ppm2 2.988
ASSI { 2463}
(( segid " A" and resid 107 and name HG2 ))
(( segid " A" and resid 107 and name HA ))
2.853 1.017 1.017 peak 2463 weight 1.00000E+00 volume 1.03856E+06 ppm1 1.356 ppm2 3.659
ASSI { 4124}
(( segid " A" and resid 107 and name HB1 ))
(( segid " A" and resid 107 and name HG2 ))
2.329 0.678 0.678 peak 4124 weight 1.00000E+00 volume 3.51100E+06 ppm1 1.459 ppm2 1.776
OR { 4124}
(( segid " A" and resid 107 and name HG2 ))
( segid " A" and resid 107 and name HD# )
ASSI { 821}
(( segid " A" and resid 107 and name HN ))
(( segid " A" and resid 107 and name HA ))
2.980 1.110 1.110 peak 821 weight 1.00000E+00 volume 3.80709E+07 ppm1 8.804 ppm2 3.638
ASSI { 3942}
(( segid " A" and resid 107 and name HG1 ))
(( segid " A" and resid 108 and name HN ))
2.620 0.858 0.858 peak 3942 weight 1.00000E+00 volume 1.73000E+06 ppm1 1.700 ppm2 8.918
ASSI { 1984}
( segid " A" and resid 107 and name HE# )
(( segid " A" and resid 108 and name HN ))
2.905 1.055 1.055 peak 1984 weight 1.00000E+00 volume 2.31901E+07 ppm1 8.943 ppm2 3.020
ASSI { 820}
(( segid " A" and resid 107 and name HA ))
(( segid " A" and resid 108 and name HN ))
3.278 1.343 1.343 peak 820 weight 1.00000E+00 volume 2.14643E+07 ppm1 8.935 ppm2 3.643
ASSI { 2742}
(( segid " A" and resid 107 and name HB1 ))
(( segid " A" and resid 108 and name HN ))
2.719 0.924 0.924 peak 2742 weight 1.00000E+00 volume 6.59100E+07 ppm1 8.947 ppm2 2.484
ASSI { 2743}
(( segid " A" and resid 107 and name HG2 ))
(( segid " A" and resid 108 and name HN ))
2.702 0.913 0.913 peak 2743 weight 1.00000E+00 volume 6.84600E+07 ppm1 8.944 ppm2 1.701
ASSI { 2747}
(( segid " A" and resid 107 and name HG2 ))
(( segid " A" and resid 109 and name HN ))
3.019 1.139 1.139 peak 2747 weight 1.00000E+00 volume 3.51900E+07 ppm1 8.710 ppm2 1.736
ASSI { 2467}
(( segid " A" and resid 108 and name HB2 ))
(( segid " A" and resid 108 and name HB1 ))
2.041 0.521 0.521 peak 2467 weight 1.00000E+00 volume 6.43399E+06 ppm1 2.638 ppm2 3.058
ASSI { 2471}
(( segid " A" and resid 108 and name HB1 ))
(( segid " A" and resid 108 and name HA ))
2.269 0.644 0.644 peak 2471 weight 1.00000E+00 volume 4.10114E+06 ppm1 3.065 ppm2 4.715
ASSI { 2472}
(( segid " A" and resid 108 and name HB2 ))
(( segid " A" and resid 108 and name HA ))
2.341 0.685 0.685 peak 2472 weight 1.00000E+00 volume 3.40151E+06 ppm1 2.638 ppm2 4.721
ASSI { 1996}
(( segid " A" and resid 108 and name HB1 ))
(( segid " A" and resid 108 and name HD22))
2.846 1.013 1.013 peak 1996 weight 1.00000E+00 volume 5.01038E+07 ppm1 7.156 ppm2 3.048
ASSI { 2475}
(( segid " A" and resid 108 and name HB2 ))
(( segid " A" and resid 108 and name HD21))
2.783 0.968 0.968 peak 2475 weight 1.00000E+00 volume 1.20579E+06 ppm1 2.643 ppm2 7.617
ASSI { 823}
(( segid " A" and resid 108 and name HB2 ))
(( segid " A" and resid 108 and name HN ))
3.150 1.241 1.241 peak 823 weight 1.00000E+00 volume 2.72528E+07 ppm1 8.936 ppm2 2.629
ASSI { 824}
(( segid " A" and resid 108 and name HB1 ))
(( segid " A" and resid 108 and name HN ))
3.101 1.202 1.202 peak 824 weight 1.00000E+00 volume 2.99842E+07 ppm1 8.947 ppm2 3.030
ASSI { 1207}
(( segid " A" and resid 108 and name HB1 ))
(( segid " A" and resid 108 and name HD21))
2.592 0.840 0.840 peak 1207 weight 1.00000E+00 volume 8.58892E+07 ppm1 7.639 ppm2 3.048
ASSI { 1990}
(( segid " A" and resid 108 and name HD22))
(( segid " A" and resid 108 and name HD21))
2.176 0.592 0.592 peak 1990 weight 1.00000E+00 volume 2.20039E+08 ppm1 7.156 ppm2 7.636
ASSI { 1994}
(( segid " A" and resid 108 and name HB2 ))
(( segid " A" and resid 108 and name HD22))
2.957 1.093 1.093 peak 1994 weight 1.00000E+00 volume 3.98829E+07 ppm1 7.154 ppm2 2.616
ASSI { 570}
(( segid " A" and resid 108 and name HA ))
(( segid " A" and resid 109 and name HN ))
2.549 0.812 0.812 peak 570 weight 1.00000E+00 volume 9.71167E+07 ppm1 8.710 ppm2 4.692
ASSI { 92}
(( segid " A" and resid 109 and name HN ))
(( segid " A" and resid 108 and name HN ))
2.474 0.765 0.765 peak 92 weight 1.00000E+00 volume 6.26779E+07 ppm1 8.933 ppm2 8.724
ASSI { 827}
( segid " A" and resid 109 and name HB# )
(( segid " A" and resid 108 and name HN ))
2.791 0.974 0.974 peak 827 weight 1.00000E+00 volume 5.63920E+07 ppm1 8.945 ppm2 1.477
ASSI { 2486}
( segid " A" and resid 109 and name HB# )
(( segid " A" and resid 109 and name HA ))
2.113 0.558 0.558 peak 2486 weight 1.00000E+00 volume 6.28730E+06 ppm1 1.491 ppm2 4.585
ASSI { 826}
( segid " A" and resid 109 and name HB# )
(( segid " A" and resid 109 and name HN ))
2.060 0.530 0.530 peak 826 weight 1.00000E+00 volume 3.48866E+08 ppm1 8.710 ppm2 1.478
ASSI { 825}
(( segid " A" and resid 109 and name HA ))
(( segid " A" and resid 109 and name HN ))
2.308 0.666 0.666 peak 825 weight 1.00000E+00 volume 1.76187E+08 ppm1 8.712 ppm2 4.577
ASSI { 445}
( segid " A" and resid 109 and name HB# )
(( segid " A" and resid 110 and name HN ))
2.282 0.651 0.651 peak 445 weight 1.00000E+00 volume 1.56903E+08 ppm1 8.793 ppm2 1.477
ASSI { 446}
(( segid " A" and resid 109 and name HA ))
(( segid " A" and resid 110 and name HN ))
2.133 0.569 0.569 peak 446 weight 1.00000E+00 volume 2.82853E+08 ppm1 8.793 ppm2 4.573
ASSI { 2883}
( segid " A" and resid 109 and name HB# )
(( segid " A" and resid 128 and name HB ))
2.177 0.592 0.592 peak 2883 weight 1.00000E+00 volume 4.92875E+06 ppm1 3.587 ppm2 1.498
ASSI { 2745}
(( segid " A" and resid 109 and name HN ))
(( segid " A" and resid 128 and name HB ))
3.072 1.180 1.180 peak 2745 weight 1.00000E+00 volume 3.16900E+07 ppm1 8.712 ppm2 3.570
ASSI { 2321}
( segid " A" and resid 110 and name HG2#)
(( segid " A" and resid 103 and name HG2 ))
2.115 0.559 0.559 peak 2321 weight 1.00000E+00 volume 2.66865E+06 ppm1 1.777 ppm2 1.038
ASSI { 2320}
( segid " A" and resid 110 and name HG2#)
(( segid " A" and resid 103 and name HG1 ))
2.015 0.507 0.507 peak 2320 weight 1.00000E+00 volume 1.90620E+06 ppm1 1.906 ppm2 1.045
ASSI { 2295}
( segid " A" and resid 110 and name HG2#)
(( segid " A" and resid 103 and name HB1 ))
2.296 0.659 0.659 peak 2295 weight 1.00000E+00 volume 3.07397E+06 ppm1 2.203 ppm2 1.022
ASSI { 3918}
( segid " A" and resid 110 and name HG2#)
( segid " A" and resid 105 and name HG# )
2.441 0.745 0.745 peak 3918 weight 1.00000E+00 volume 2.64900E+06 ppm1 1.951 ppm2 1.068
ASSI { 3919}
(( segid " A" and resid 110 and name HA ))
( segid " A" and resid 105 and name HG# )
2.665 0.888 0.888 peak 3919 weight 1.00000E+00 volume 1.56400E+06 ppm1 1.943 ppm2 4.580
ASSI { 2725}
( segid " A" and resid 110 and name HG2#)
(( segid " A" and resid 105 and name HN ))
3.641 1.657 1.657 peak 2725 weight 1.00000E+00 volume 1.14300E+07 ppm1 8.318 ppm2 1.068
ASSI { 2671}
(( segid " A" and resid 110 and name HA ))
(( segid " A" and resid 106 and name HN ))
2.692 0.906 0.906 peak 2671 weight 1.00000E+00 volume 2.34700E+07 ppm1 8.270 ppm2 4.582
ASSI { 889}
( segid " A" and resid 110 and name HG2#)
(( segid " A" and resid 110 and name HA ))
2.010 0.505 0.505 peak 889 weight 1.00000E+00 volume 8.47846E+06 ppm1 1.050 ppm2 4.596
ASSI { 2500}
(( segid " A" and resid 110 and name HA ))
(( segid " A" and resid 110 and name HB ))
2.449 0.750 0.750 peak 2500 weight 1.00000E+00 volume 2.59687E+06 ppm1 3.809 ppm2 4.582
ASSI { 829}
(( segid " A" and resid 110 and name HN ))
(( segid " A" and resid 110 and name HB ))
2.332 0.680 0.680 peak 829 weight 1.00000E+00 volume 1.32517E+08 ppm1 8.794 ppm2 3.783
ASSI { 2496}
( segid " A" and resid 110 and name HG2#)
(( segid " A" and resid 110 and name HB ))
1.941 0.471 0.471 peak 2496 weight 1.00000E+00 volume 5.83676E+06 ppm1 3.804 ppm2 1.049
ASSI { 828}
(( segid " A" and resid 110 and name HA ))
(( segid " A" and resid 110 and name HN ))
2.210 0.611 0.611 peak 828 weight 1.00000E+00 volume 2.28426E+08 ppm1 8.796 ppm2 4.579
ASSI { 3957}
( segid " A" and resid 110 and name HG2#)
(( segid " A" and resid 111 and name HN ))
2.184 0.596 0.596 peak 3957 weight 1.00000E+00 volume 5.15800E+06 ppm1 1.051 ppm2 8.453
ASSI { 174}
(( segid " A" and resid 110 and name HN ))
(( segid " A" and resid 111 and name HN ))
3.029 1.147 1.147 peak 174 weight 1.00000E+00 volume 2.75191E+07 ppm1 8.793 ppm2 8.443
ASSI { 527}
(( segid " A" and resid 110 and name HB ))
(( segid " A" and resid 111 and name HN ))
2.889 1.043 1.043 peak 527 weight 1.00000E+00 volume 4.58013E+07 ppm1 8.450 ppm2 3.782
ASSI { 528}
(( segid " A" and resid 110 and name HA ))
(( segid " A" and resid 111 and name HN ))
2.227 0.620 0.620 peak 528 weight 1.00000E+00 volume 2.18199E+08 ppm1 8.449 ppm2 4.577
ASSI { 2019}
(( segid " A" and resid 110 and name HN ))
(( segid " A" and resid 127 and name HB2 ))
3.433 1.473 1.473 peak 2019 weight 1.00000E+00 volume 1.62806E+07 ppm1 8.794 ppm2 2.439
ASSI { 2753}
(( segid " A" and resid 110 and name HN ))
(( segid " A" and resid 127 and name HB1 ))
3.433 1.473 1.473 peak 2753 weight 1.00000E+00 volume 1.62800E+07 ppm1 8.794 ppm2 2.439
ASSI { 2018}
(( segid " A" and resid 110 and name HN ))
(( segid " A" and resid 128 and name HB ))
2.882 1.038 1.038 peak 2018 weight 1.00000E+00 volume 4.64924E+07 ppm1 8.793 ppm2 3.570
ASSI { 1391}
( segid " A" and resid 111 and name HG# )
(( segid " A" and resid 104 and name HB2 ))
1.780 0.396 0.396 peak 1391 weight 1.00000E+00 volume 1.76165E+07 ppm1 0.898 ppm2 1.346
OR { 1391}
( segid " A" and resid 20 and name HB# )
( segid " A" and resid 64 and name HD1#)
ASSI { 2598}
(( segid " A" and resid 111 and name HN ))
(( segid " A" and resid 105 and name HA ))
2.718 0.923 0.923 peak 2598 weight 1.00000E+00 volume 6.60900E+07 ppm1 8.450 ppm2 4.842
ASSI { 2733}
( segid " A" and resid 111 and name HG1#)
(( segid " A" and resid 106 and name HN ))
2.820 0.994 0.994 peak 2733 weight 1.00000E+00 volume 5.29400E+07 ppm1 8.220 ppm2 0.748
ASSI { 1583}
( segid " A" and resid 111 and name HG1#)
(( segid " A" and resid 111 and name HA ))
1.808 0.409 0.409 peak 1583 weight 1.00000E+00 volume 1.60342E+07 ppm1 0.865 ppm2 4.355
ASSI { 2524}
(( segid " A" and resid 111 and name HA ))
(( segid " A" and resid 111 and name HB ))
2.488 0.774 0.774 peak 2524 weight 1.00000E+00 volume 2.35884E+06 ppm1 2.136 ppm2 4.342
ASSI { 2530}
( segid " A" and resid 111 and name HG2#)
(( segid " A" and resid 111 and name HB ))
2.029 0.514 0.514 peak 2530 weight 1.00000E+00 volume 8.03157E+06 ppm1 0.731 ppm2 2.156
ASSI { 2533}
( segid " A" and resid 111 and name HG2#)
(( segid " A" and resid 111 and name HA ))
2.189 0.599 0.599 peak 2533 weight 1.00000E+00 volume 5.08249E+06 ppm1 0.732 ppm2 4.350
ASSI { 830}
(( segid " A" and resid 111 and name HA ))
(( segid " A" and resid 111 and name HN ))
2.766 0.956 0.956 peak 830 weight 1.00000E+00 volume 5.94788E+07 ppm1 8.449 ppm2 4.341
ASSI { 831}
(( segid " A" and resid 111 and name HB ))
(( segid " A" and resid 111 and name HN ))
2.299 0.661 0.661 peak 831 weight 1.00000E+00 volume 1.80222E+08 ppm1 8.449 ppm2 2.157
ASSI { 571}
(( segid " A" and resid 111 and name HA ))
(( segid " A" and resid 112 and name HN ))
2.383 0.710 0.710 peak 571 weight 1.00000E+00 volume 1.45470E+08 ppm1 9.284 ppm2 4.352
ASSI { 572}
(( segid " A" and resid 111 and name HB ))
(( segid " A" and resid 112 and name HN ))
3.082 1.187 1.187 peak 572 weight 1.00000E+00 volume 3.10989E+07 ppm1 9.283 ppm2 2.174
ASSI { 1604}
( segid " A" and resid 111 and name HG# )
(( segid " A" and resid 124 and name HA ))
2.702 0.913 0.913 peak 1604 weight 1.00000E+00 volume 1.43815E+06 ppm1 0.874 ppm2 5.537
ASSI { 2817}
(( segid " A" and resid 111 and name HA ))
(( segid " A" and resid 125 and name HN ))
3.381 1.429 1.429 peak 2817 weight 1.00000E+00 volume 1.78300E+07 ppm1 9.515 ppm2 4.354
ASSI { 3220}
(( segid " A" and resid 111 and name HA ))
( segid " A" and resid 126 and name HG2#)
2.211 0.611 0.611 peak 3220 weight 1.00000E+00 volume 4.78752E+06 ppm1 4.350 ppm2 0.908
OR { 3220}
( segid " A" and resid 111 and name HG1#)
(( segid " A" and resid 111 and name HA ))
ASSI { 4050}
(( segid " A" and resid 111 and name HA ))
(( segid " A" and resid 126 and name HA ))
2.447 0.748 0.748 peak 4050 weight 1.00000E+00 volume 2.60800E+06 ppm1 5.622 ppm2 4.343
ASSI { 4068}
(( segid " A" and resid 111 and name HA ))
( segid " A" and resid 126 and name HG2#)
2.257 0.637 0.637 peak 4068 weight 1.00000E+00 volume 4.23200E+06 ppm1 0.915 ppm2 4.353
ASSI { 2821}
(( segid " A" and resid 111 and name HA ))
(( segid " A" and resid 126 and name HN ))
3.515 1.544 1.544 peak 2821 weight 1.00000E+00 volume 1.41300E+07 ppm1 8.608 ppm2 4.338
ASSI { 2463}
( segid " A" and resid 112 and name HD1#)
(( segid " A" and resid 42 and name HD22))
2.719 0.924 0.924 peak 2463 weight 1.00000E+00 volume 6.59600E+07 ppm1 7.455 ppm2 0.842
ASSI { 2464}
( segid " A" and resid 112 and name HD1#)
(( segid " A" and resid 42 and name HD21))
2.489 0.774 0.774 peak 2464 weight 1.00000E+00 volume 1.12000E+08 ppm1 6.839 ppm2 0.841
ASSI { 3948}
( segid " A" and resid 112 and name HD1#)
(( segid " A" and resid 110 and name HB ))
2.686 0.902 0.902 peak 3948 weight 1.00000E+00 volume 1.49200E+06 ppm1 3.806 ppm2 0.869
ASSI { 395}
(( segid " A" and resid 112 and name HN ))
(( segid " A" and resid 111 and name HN ))
3.334 1.389 1.389 peak 395 weight 1.00000E+00 volume 1.06703E+07 ppm1 9.286 ppm2 8.440
ASSI { 2549}
(( segid " A" and resid 112 and name HB2 ))
(( segid " A" and resid 112 and name HB1 ))
1.787 0.399 0.399 peak 2549 weight 1.00000E+00 volume 1.72184E+07 ppm1 1.463 ppm2 1.560
ASSI { 1373}
( segid " A" and resid 112 and name HD1#)
(( segid " A" and resid 112 and name HB2 ))
1.711 0.366 0.366 peak 1373 weight 1.00000E+00 volume 2.23133E+07 ppm1 0.856 ppm2 1.552
ASSI { 2553}
(( segid " A" and resid 112 and name HB2 ))
(( segid " A" and resid 112 and name HA ))
2.460 0.756 0.756 peak 2553 weight 1.00000E+00 volume 2.52777E+06 ppm1 1.558 ppm2 4.336
ASSI { 2554}
(( segid " A" and resid 112 and name HB1 ))
(( segid " A" and resid 112 and name HA ))
2.502 0.783 0.783 peak 2554 weight 1.00000E+00 volume 2.28069E+06 ppm1 1.456 ppm2 4.338
ASSI { 3967}
( segid " A" and resid 112 and name HD1#)
(( segid " A" and resid 112 and name HA ))
2.331 0.679 0.679 peak 3967 weight 1.00000E+00 volume 3.48700E+06 ppm1 0.858 ppm2 4.353
ASSI { 832}
(( segid " A" and resid 112 and name HA ))
(( segid " A" and resid 112 and name HN ))
2.383 0.710 0.710 peak 832 weight 1.00000E+00 volume 1.45470E+08 ppm1 9.281 ppm2 4.336
ASSI { 833}
(( segid " A" and resid 112 and name HB2 ))
(( segid " A" and resid 112 and name HN ))
2.550 0.813 0.813 peak 833 weight 1.00000E+00 volume 9.68456E+07 ppm1 9.284 ppm2 1.539
ASSI { 2032}
( segid " A" and resid 112 and name HD1#)
(( segid " A" and resid 112 and name HN ))
2.502 0.783 0.783 peak 2032 weight 1.00000E+00 volume 1.08494E+08 ppm1 9.285 ppm2 0.859
ASSI { 837}
(( segid " A" and resid 112 and name HN ))
(( segid " A" and resid 113 and name HA ))
3.371 1.420 1.420 peak 837 weight 1.00000E+00 volume 1.81657E+07 ppm1 9.282 ppm2 4.558
ASSI { 4031}
(( segid " A" and resid 112 and name HN ))
(( segid " A" and resid 125 and name HB ))
2.734 0.934 0.934 peak 4031 weight 1.00000E+00 volume 1.34100E+06 ppm1 2.217 ppm2 9.301
ASSI { 4037}
( segid " A" and resid 112 and name HD1#)
( segid " A" and resid 125 and name HG2#)
2.139 0.572 0.572 peak 4037 weight 1.00000E+00 volume 5.84900E+06 ppm1 1.383 ppm2 0.855
ASSI { 4039}
(( segid " A" and resid 112 and name HB2 ))
( segid " A" and resid 125 and name HG2#)
1.801 0.406 0.406 peak 4039 weight 1.00000E+00 volume 1.63900E+07 ppm1 1.384 ppm2 1.520
ASSI { 2814}
(( segid " A" and resid 112 and name HN ))
(( segid " A" and resid 125 and name HN ))
3.287 1.350 1.350 peak 2814 weight 1.00000E+00 volume 2.11300E+07 ppm1 9.511 ppm2 9.281
ASSI { 3965}
( segid " A" and resid 112 and name HD1#)
(( segid " A" and resid 127 and name HB1 ))
2.170 0.589 0.589 peak 3965 weight 1.00000E+00 volume 5.35600E+06 ppm1 0.858 ppm2 2.476
ASSI { 3968}
( segid " A" and resid 112 and name HD1#)
(( segid " A" and resid 127 and name HA ))
2.179 0.593 0.593 peak 3968 weight 1.00000E+00 volume 5.23500E+06 ppm1 0.858 ppm2 4.562
ASSI { 978}
( segid " A" and resid 112 and name HD1#)
(( segid " A" and resid 127 and name HN ))
2.260 0.638 0.638 peak 978 weight 1.00000E+00 volume 1.99965E+08 ppm1 8.077 ppm2 0.866
ASSI { 2766}
(( segid " A" and resid 113 and name HN ))
( segid " A" and resid 111 and name HG2#)
2.292 0.657 0.657 peak 2766 weight 1.00000E+00 volume 1.83800E+08 ppm1 7.275 ppm2 0.949
ASSI { 2555}
(( segid " A" and resid 113 and name HN ))
(( segid " A" and resid 112 and name HB1 ))
2.793 0.975 0.975 peak 2555 weight 1.00000E+00 volume 1.18030E+06 ppm1 1.462 ppm2 7.249
ASSI { 3970}
(( segid " A" and resid 113 and name HN ))
( segid " A" and resid 112 and name HD1#)
2.609 0.851 0.851 peak 3970 weight 1.00000E+00 volume 1.77700E+06 ppm1 0.856 ppm2 7.277
ASSI { 15}
(( segid " A" and resid 113 and name HN ))
(( segid " A" and resid 112 and name HN ))
2.447 0.749 0.749 peak 15 weight 1.00000E+00 volume 6.86466E+07 ppm1 9.283 ppm2 7.277
ASSI { 573}
(( segid " A" and resid 113 and name HN ))
(( segid " A" and resid 112 and name HB2 ))
2.402 0.721 0.721 peak 573 weight 1.00000E+00 volume 1.38668E+08 ppm1 7.275 ppm2 1.518
ASSI { 835}
( segid " A" and resid 113 and name HB# )
(( segid " A" and resid 113 and name HN ))
2.150 0.578 0.578 peak 835 weight 1.00000E+00 volume 2.70000E+08 ppm1 7.275 ppm2 1.391
ASSI { 2572}
( segid " A" and resid 113 and name HB# )
(( segid " A" and resid 113 and name HA ))
1.891 0.447 0.447 peak 2572 weight 1.00000E+00 volume 1.22434E+07 ppm1 1.409 ppm2 4.562
ASSI { 834}
(( segid " A" and resid 113 and name HN ))
(( segid " A" and resid 113 and name HA ))
2.598 0.843 0.843 peak 834 weight 1.00000E+00 volume 8.67060E+07 ppm1 7.274 ppm2 4.541
ASSI { 19}
(( segid " A" and resid 113 and name HN ))
(( segid " A" and resid 114 and name HN ))
2.897 1.049 1.049 peak 19 weight 1.00000E+00 volume 4.50756E+07 ppm1 7.275 ppm2 8.697
ASSI { 575}
(( segid " A" and resid 113 and name HA ))
(( segid " A" and resid 114 and name HN ))
1.949 0.475 0.475 peak 575 weight 1.00000E+00 volume 4.86712E+08 ppm1 8.708 ppm2 4.544
ASSI { 841}
(( segid " A" and resid 113 and name HN ))
(( segid " A" and resid 114 and name HA ))
3.324 1.381 1.381 peak 841 weight 1.00000E+00 volume 1.97428E+07 ppm1 7.275 ppm2 5.444
ASSI { 3972}
( segid " A" and resid 113 and name HB# )
( segid " A" and resid 116 and name HD1#)
1.971 0.486 0.486 peak 3972 weight 1.00000E+00 volume 9.54200E+06 ppm1 1.408 ppm2 0.783
ASSI { 3974}
( segid " A" and resid 113 and name HB# )
(( segid " A" and resid 125 and name HB ))
2.064 0.532 0.532 peak 3974 weight 1.00000E+00 volume 7.24900E+06 ppm1 1.408 ppm2 2.205
ASSI { 18}
(( segid " A" and resid 113 and name HN ))
(( segid " A" and resid 125 and name HN ))
2.671 0.892 0.892 peak 18 weight 1.00000E+00 volume 6.49161E+07 ppm1 7.274 ppm2 9.513
ASSI { 2038}
(( segid " A" and resid 113 and name HN ))
( segid " A" and resid 125 and name HG1#)
2.692 0.906 0.906 peak 2038 weight 1.00000E+00 volume 7.00551E+07 ppm1 7.275 ppm2 1.265
ASSI { 2152}
(( segid " A" and resid 113 and name HA ))
(( segid " A" and resid 125 and name HN ))
3.446 1.484 1.484 peak 2152 weight 1.00000E+00 volume 1.59194E+07 ppm1 9.512 ppm2 4.550
ASSI { 2763}
(( segid " A" and resid 113 and name HN ))
(( segid " A" and resid 125 and name HA ))
3.474 1.508 1.508 peak 2763 weight 1.00000E+00 volume 1.51600E+07 ppm1 7.272 ppm2 4.819
ASSI { 2765}
(( segid " A" and resid 113 and name HN ))
(( segid " A" and resid 125 and name HB ))
2.436 0.742 0.742 peak 2765 weight 1.00000E+00 volume 1.27600E+08 ppm1 7.275 ppm2 2.193
ASSI { 2575}
(( segid " A" and resid 114 and name HA ))
( segid " A" and resid 114 and name HB# )
1.976 0.488 0.488 peak 2575 weight 1.00000E+00 volume 5.90325E+06 ppm1 5.461 ppm2 1.470
ASSI { 2591}
( segid " A" and resid 114 and name HB# )
(( segid " A" and resid 114 and name HN ))
1.934 0.467 0.467 peak 2591 weight 1.00000E+00 volume 1.07106E+07 ppm1 1.492 ppm2 8.686
ASSI { 838}
(( segid " A" and resid 114 and name HA ))
(( segid " A" and resid 114 and name HN ))
2.612 0.853 0.853 peak 838 weight 1.00000E+00 volume 8.38477E+07 ppm1 8.707 ppm2 5.424
ASSI { 22}
(( segid " A" and resid 114 and name HN ))
(( segid " A" and resid 115 and name HN ))
3.172 1.257 1.257 peak 22 weight 1.00000E+00 volume 2.61697E+07 ppm1 8.703 ppm2 9.727
ASSI { 577}
( segid " A" and resid 114 and name HB# )
(( segid " A" and resid 115 and name HN ))
2.282 0.651 0.651 peak 577 weight 1.00000E+00 volume 1.64568E+08 ppm1 9.721 ppm2 1.469
ASSI { 578}
(( segid " A" and resid 114 and name HA ))
(( segid " A" and resid 115 and name HN ))
2.358 0.695 0.695 peak 578 weight 1.00000E+00 volume 1.54873E+08 ppm1 9.722 ppm2 5.421
ASSI { 2046}
(( segid " A" and resid 114 and name HN ))
(( segid " A" and resid 115 and name HB1 ))
3.115 1.213 1.213 peak 2046 weight 1.00000E+00 volume 2.91805E+07 ppm1 8.711 ppm2 3.015
ASSI { 3976}
(( segid " A" and resid 114 and name HA ))
(( segid " A" and resid 116 and name HG11))
2.585 0.835 0.835 peak 3976 weight 1.00000E+00 volume 1.87700E+06 ppm1 5.453 ppm2 0.978
ASSI { 2771}
(( segid " A" and resid 114 and name HN ))
( segid " A" and resid 116 and name HD1#)
3.034 1.151 1.151 peak 2771 weight 1.00000E+00 volume 3.41200E+07 ppm1 8.705 ppm2 0.754
ASSI { 2778}
(( segid " A" and resid 114 and name HA ))
(( segid " A" and resid 116 and name HN ))
3.080 1.186 1.186 peak 2778 weight 1.00000E+00 volume 3.11900E+07 ppm1 8.669 ppm2 5.412
ASSI { 2815}
(( segid " A" and resid 114 and name HA ))
(( segid " A" and resid 125 and name HN ))
2.840 1.008 1.008 peak 2815 weight 1.00000E+00 volume 5.08000E+07 ppm1 9.512 ppm2 5.429
ASSI { 768}
(( segid " A" and resid 115 and name HA ))
(( segid " A" and resid 79 and name HN ))
3.417 1.460 1.460 peak 768 weight 1.00000E+00 volume 1.67211E+07 ppm1 11.655 ppm2 3.904
ASSI { 2596}
(( segid " A" and resid 115 and name HA ))
(( segid " A" and resid 115 and name HB1 ))
2.410 0.726 0.726 peak 2596 weight 1.00000E+00 volume 2.85462E+06 ppm1 3.901 ppm2 3.040
ASSI { 2603}
(( segid " A" and resid 115 and name HB1 ))
(( segid " A" and resid 115 and name HB2 ))
1.957 0.479 0.479 peak 2603 weight 1.00000E+00 volume 9.97710E+06 ppm1 3.047 ppm2 2.906
ASSI { 2597}
(( segid " A" and resid 115 and name HA ))
(( segid " A" and resid 115 and name HB2 ))
2.378 0.707 0.707 peak 2597 weight 1.00000E+00 volume 3.09280E+06 ppm1 3.904 ppm2 2.898
ASSI { 845}
(( segid " A" and resid 115 and name HA ))
(( segid " A" and resid 115 and name HN ))
2.258 0.637 0.637 peak 845 weight 1.00000E+00 volume 1.49579E+08 ppm1 9.721 ppm2 3.888
ASSI { 846}
(( segid " A" and resid 115 and name HB2 ))
(( segid " A" and resid 115 and name HN ))
2.923 1.068 1.068 peak 846 weight 1.00000E+00 volume 4.26711E+07 ppm1 9.723 ppm2 2.903
ASSI { 847}
(( segid " A" and resid 115 and name HB1 ))
(( segid " A" and resid 115 and name HN ))
2.846 1.012 1.012 peak 847 weight 1.00000E+00 volume 5.01444E+07 ppm1 9.719 ppm2 3.013
ASSI { 843}
(( segid " A" and resid 115 and name HB1 ))
(( segid " A" and resid 116 and name HN ))
3.194 1.275 1.275 peak 843 weight 1.00000E+00 volume 2.50936E+07 ppm1 8.670 ppm2 3.029
ASSI { 2069}
(( segid " A" and resid 115 and name HA ))
(( segid " A" and resid 116 and name HN ))
2.372 0.703 0.703 peak 2069 weight 1.00000E+00 volume 1.49696E+08 ppm1 8.670 ppm2 3.903
OR { 2069}
(( segid " A" and resid 116 and name HA ))
(( segid " A" and resid 116 and name HN ))
ASSI { 2774}
(( segid " A" and resid 115 and name HN ))
(( segid " A" and resid 116 and name HB ))
3.604 1.624 1.624 peak 2774 weight 1.00000E+00 volume 1.21500E+07 ppm1 9.724 ppm2 2.067
ASSI { 2779}
(( segid " A" and resid 115 and name HA ))
(( segid " A" and resid 116 and name HN ))
2.358 0.695 0.695 peak 2779 weight 1.00000E+00 volume 1.49700E+08 ppm1 8.670 ppm2 3.903
ASSI { 24}
(( segid " A" and resid 116 and name HN ))
(( segid " A" and resid 115 and name HN ))
2.347 0.688 0.688 peak 24 weight 1.00000E+00 volume 1.59431E+08 ppm1 9.721 ppm2 8.684
ASSI { 2248}
( segid " A" and resid 116 and name HG2#)
(( segid " A" and resid 116 and name HA ))
2.125 0.564 0.564 peak 2248 weight 1.00000E+00 volume 5.82906E+06 ppm1 0.768 ppm2 3.915
ASSI { 2611}
(( segid " A" and resid 116 and name HA ))
(( segid " A" and resid 116 and name HG11))
2.351 0.691 0.691 peak 2611 weight 1.00000E+00 volume 3.31689E+06 ppm1 3.914 ppm2 0.984
ASSI { 2612}
(( segid " A" and resid 116 and name HA ))
(( segid " A" and resid 116 and name HG12))
2.494 0.777 0.777 peak 2612 weight 1.00000E+00 volume 2.32861E+06 ppm1 3.914 ppm2 1.454
ASSI { 849}
(( segid " A" and resid 116 and name HN ))
(( segid " A" and resid 116 and name HB ))
2.238 0.626 0.626 peak 849 weight 1.00000E+00 volume 2.11764E+08 ppm1 8.665 ppm2 2.051
ASSI { 2623}
(( segid " A" and resid 116 and name HG11))
( segid " A" and resid 116 and name HD1#)
1.824 0.416 0.416 peak 2623 weight 1.00000E+00 volume 1.52164E+07 ppm1 0.778 ppm2 0.982
ASSI { 2624}
(( segid " A" and resid 116 and name HG12))
( segid " A" and resid 116 and name HD1#)
1.738 0.377 0.377 peak 2624 weight 1.00000E+00 volume 2.03337E+07 ppm1 0.779 ppm2 1.463
ASSI { 2626}
(( segid " A" and resid 116 and name HB ))
( segid " A" and resid 116 and name HD1#)
2.198 0.604 0.604 peak 2626 weight 1.00000E+00 volume 4.96832E+06 ppm1 0.777 ppm2 2.065
ASSI { 2632}
(( segid " A" and resid 116 and name HG11))
(( segid " A" and resid 116 and name HG12))
2.036 0.518 0.518 peak 2632 weight 1.00000E+00 volume 7.85724E+06 ppm1 1.457 ppm2 0.984
ASSI { 2617}
(( segid " A" and resid 116 and name HG12))
(( segid " A" and resid 116 and name HB ))
2.262 0.639 0.639 peak 2617 weight 1.00000E+00 volume 4.18461E+06 ppm1 2.065 ppm2 1.446
ASSI { 2640}
( segid " A" and resid 116 and name HG2#)
(( segid " A" and resid 116 and name HG11))
1.934 0.467 0.467 peak 2640 weight 1.00000E+00 volume 1.07018E+07 ppm1 0.771 ppm2 0.987
ASSI { 2619}
( segid " A" and resid 116 and name HG2#)
(( segid " A" and resid 116 and name HB ))
2.035 0.518 0.518 peak 2619 weight 1.00000E+00 volume 7.87531E+06 ppm1 2.064 ppm2 0.758
ASSI { 848}
(( segid " A" and resid 116 and name HA ))
(( segid " A" and resid 116 and name HN ))
2.246 0.631 0.631 peak 848 weight 1.00000E+00 volume 2.07543E+08 ppm1 8.664 ppm2 3.894
ASSI { 2073}
(( segid " A" and resid 116 and name HN ))
(( segid " A" and resid 116 and name HG12))
2.168 0.588 0.588 peak 2073 weight 1.00000E+00 volume 2.56264E+08 ppm1 8.665 ppm2 1.440
ASSI { 2721}
(( segid " A" and resid 116 and name HN ))
(( segid " A" and resid 116 and name HG11))
2.390 0.714 0.714 peak 2721 weight 1.00000E+00 volume 1.42900E+08 ppm1 8.666 ppm2 0.960
ASSI { 967}
( segid " A" and resid 116 and name HG2#)
(( segid " A" and resid 118 and name HN ))
3.043 1.158 1.158 peak 967 weight 1.00000E+00 volume 3.35390E+07 ppm1 8.738 ppm2 0.770
ASSI { 2738}
(( segid " A" and resid 116 and name HA ))
(( segid " A" and resid 118 and name HN ))
3.902 1.903 1.903 peak 2738 weight 1.00000E+00 volume 7.55000E+06 ppm1 8.741 ppm2 3.883
ASSI { 3824}
( segid " A" and resid 116 and name HG2#)
(( segid " A" and resid 123 and name HN ))
2.660 0.884 0.884 peak 3824 weight 1.00000E+00 volume 1.58100E+06 ppm1 0.770 ppm2 9.128
ASSI { 4027}
(( segid " A" and resid 116 and name HB ))
( segid " A" and resid 123 and name HD1#)
2.867 1.027 1.027 peak 4027 weight 1.00000E+00 volume 1.00800E+06 ppm1 0.681 ppm2 2.074
ASSI { 399}
(( segid " A" and resid 116 and name HN ))
(( segid " A" and resid 123 and name HN ))
2.683 0.900 0.900 peak 399 weight 1.00000E+00 volume 6.33551E+07 ppm1 8.666 ppm2 9.122
ASSI { 2808}
(( segid " A" and resid 116 and name HB ))
(( segid " A" and resid 123 and name HN ))
2.677 0.896 0.896 peak 2808 weight 1.00000E+00 volume 7.24200E+07 ppm1 9.128 ppm2 2.052
ASSI { 2860}
(( segid " A" and resid 116 and name HA ))
(( segid " A" and resid 123 and name HN ))
3.121 1.218 1.218 peak 2860 weight 1.00000E+00 volume 2.88037E+07 ppm1 9.127 ppm2 3.886
ASSI { 2777}
(( segid " A" and resid 116 and name HN ))
(( segid " A" and resid 125 and name HN ))
3.948 1.949 1.949 peak 2777 weight 1.00000E+00 volume 7.03000E+06 ppm1 8.665 ppm2 9.522
ASSI { 3999}
(( segid " A" and resid 117 and name HG2 ))
( segid " A" and resid 78 and name HE# )
2.753 0.947 0.947 peak 3999 weight 1.00000E+00 volume 1.28700E+06 ppm1 2.342 ppm2 2.890
ASSI { 580}
(( segid " A" and resid 117 and name HN ))
(( segid " A" and resid 116 and name HA ))
1.904 0.453 0.453 peak 580 weight 1.00000E+00 volume 5.58584E+08 ppm1 8.362 ppm2 3.894
ASSI { 3996}
(( segid " A" and resid 117 and name HN ))
( segid " A" and resid 116 and name HG2#)
2.417 0.730 0.730 peak 3996 weight 1.00000E+00 volume 2.80800E+06 ppm1 0.766 ppm2 8.346
ASSI { 400}
(( segid " A" and resid 117 and name HN ))
(( segid " A" and resid 116 and name HN ))
3.021 1.141 1.141 peak 400 weight 1.00000E+00 volume 3.50674E+07 ppm1 8.662 ppm2 8.365
ASSI { 579}
(( segid " A" and resid 117 and name HG1 ))
(( segid " A" and resid 117 and name HN ))
2.049 0.525 0.525 peak 579 weight 1.00000E+00 volume 3.59819E+08 ppm1 8.361 ppm2 2.034
ASSI { 2656}
(( segid " A" and resid 117 and name HB2 ))
(( segid " A" and resid 117 and name HA ))
2.130 0.567 0.567 peak 2656 weight 1.00000E+00 volume 5.98675E+06 ppm1 1.911 ppm2 4.313
ASSI { 2114}
(( segid " A" and resid 117 and name HG1 ))
(( segid " A" and resid 117 and name HG2 ))
1.783 0.397 0.397 peak 2114 weight 1.00000E+00 volume 1.74528E+07 ppm1 2.340 ppm2 2.008
ASSI { 2666}
(( segid " A" and resid 117 and name HA ))
(( segid " A" and resid 117 and name HG2 ))
2.532 0.801 0.801 peak 2666 weight 1.00000E+00 volume 2.12553E+06 ppm1 2.339 ppm2 4.313
ASSI { 2667}
(( segid " A" and resid 117 and name HA ))
(( segid " A" and resid 117 and name HG1 ))
2.467 0.761 0.761 peak 2667 weight 1.00000E+00 volume 2.48269E+06 ppm1 2.023 ppm2 4.314
ASSI { 851}
(( segid " A" and resid 117 and name HA ))
(( segid " A" and resid 117 and name HN ))
2.559 0.819 0.819 peak 851 weight 1.00000E+00 volume 9.48163E+07 ppm1 8.362 ppm2 4.289
ASSI { 969}
(( segid " A" and resid 117 and name HG2 ))
(( segid " A" and resid 117 and name HN ))
2.417 0.730 0.730 peak 969 weight 1.00000E+00 volume 1.33553E+08 ppm1 8.362 ppm2 2.321
ASSI { 1175}
(( segid " A" and resid 117 and name HB1 ))
(( segid " A" and resid 117 and name HN ))
2.080 0.541 0.541 peak 1175 weight 1.00000E+00 volume 3.28900E+08 ppm1 8.362 ppm2 1.957
ASSI { 439}
(( segid " A" and resid 117 and name HA ))
(( segid " A" and resid 118 and name HN ))
2.085 0.543 0.543 peak 439 weight 1.00000E+00 volume 3.24681E+08 ppm1 8.739 ppm2 4.289
ASSI { 3998}
(( segid " A" and resid 117 and name HB2 ))
(( segid " A" and resid 118 and name HN ))
2.685 0.901 0.901 peak 3998 weight 1.00000E+00 volume 1.49400E+06 ppm1 1.914 ppm2 8.730
ASSI { 96}
(( segid " A" and resid 117 and name HN ))
(( segid " A" and resid 118 and name HN ))
3.194 1.275 1.275 peak 96 weight 1.00000E+00 volume 2.50839E+07 ppm1 8.743 ppm2 8.352
ASSI { 4013}
(( segid " A" and resid 117 and name HA ))
( segid " A" and resid 122 and name HD1#)
2.359 0.696 0.696 peak 4013 weight 1.00000E+00 volume 3.25000E+06 ppm1 0.653 ppm2 4.323
ASSI { 2782}
(( segid " A" and resid 117 and name HN ))
(( segid " A" and resid 122 and name HA ))
3.272 1.338 1.338 peak 2782 weight 1.00000E+00 volume 2.17200E+07 ppm1 8.367 ppm2 4.804
ASSI { 27}
(( segid " A" and resid 117 and name HN ))
(( segid " A" and resid 123 and name HN ))
3.377 1.425 1.425 peak 27 weight 1.00000E+00 volume 1.79619E+07 ppm1 8.364 ppm2 9.128
ASSI { 2137}
(( segid " A" and resid 117 and name HA ))
(( segid " A" and resid 123 and name HN ))
3.093 1.196 1.196 peak 2137 weight 1.00000E+00 volume 3.04384E+07 ppm1 9.128 ppm2 4.293
ASSI { 2147}
( segid " A" and resid 118 and name HB# )
(( segid " A" and resid 118 and name HA ))
1.920 0.461 0.461 peak 2147 weight 1.00000E+00 volume 1.11733E+07 ppm1 1.293 ppm2 4.776
ASSI { 854}
( segid " A" and resid 118 and name HB# )
(( segid " A" and resid 118 and name HN ))
2.218 0.615 0.615 peak 854 weight 1.00000E+00 volume 1.57421E+08 ppm1 8.741 ppm2 1.270
ASSI { 2737}
(( segid " A" and resid 118 and name HA ))
(( segid " A" and resid 118 and name HN ))
2.441 0.745 0.745 peak 2737 weight 1.00000E+00 volume 1.25800E+08 ppm1 8.741 ppm2 4.801
ASSI { 2618}
( segid " A" and resid 118 and name HB# )
(( segid " A" and resid 119 and name HG1 ))
2.255 0.636 0.636 peak 2618 weight 1.00000E+00 volume 4.25918E+06 ppm1 2.066 ppm2 1.315
ASSI { 4004}
( segid " A" and resid 118 and name HB# )
(( segid " A" and resid 119 and name HG2 ))
2.359 0.696 0.696 peak 4004 weight 1.00000E+00 volume 3.24600E+06 ppm1 1.295 ppm2 2.032
ASSI { 581}
(( segid " A" and resid 118 and name HA ))
(( segid " A" and resid 119 and name HN ))
2.279 0.649 0.649 peak 581 weight 1.00000E+00 volume 1.89939E+08 ppm1 8.918 ppm2 4.755
ASSI { 582}
( segid " A" and resid 118 and name HB# )
(( segid " A" and resid 119 and name HN ))
2.221 0.616 0.616 peak 582 weight 1.00000E+00 volume 2.22071E+08 ppm1 8.919 ppm2 1.281
ASSI { 2796}
( segid " A" and resid 118 and name HB# )
(( segid " A" and resid 120 and name HN ))
2.286 0.653 0.653 peak 2796 weight 1.00000E+00 volume 1.38900E+08 ppm1 8.043 ppm2 1.279
ASSI { 4003}
( segid " A" and resid 118 and name HB# )
(( segid " A" and resid 121 and name HA2 ))
2.944 1.084 1.084 peak 4003 weight 1.00000E+00 volume 8.59200E+05 ppm1 1.289 ppm2 3.595
OR { 4003}
( segid " A" and resid 118 and name HB# )
(( segid " A" and resid 120 and name HB1 ))
ASSI { 2084}
(( segid " A" and resid 118 and name HN ))
(( segid " A" and resid 121 and name HN ))
2.813 0.989 0.989 peak 2084 weight 1.00000E+00 volume 3.79239E+07 ppm1 8.738 ppm2 7.021
ASSI { 2085}
(( segid " A" and resid 118 and name HN ))
(( segid " A" and resid 121 and name HA2 ))
3.641 1.657 1.657 peak 2085 weight 1.00000E+00 volume 1.14295E+07 ppm1 8.739 ppm2 3.545
ASSI { 2787}
(( segid " A" and resid 118 and name HN ))
(( segid " A" and resid 121 and name HA1 ))
3.641 1.657 1.657 peak 2787 weight 1.00000E+00 volume 1.14300E+07 ppm1 8.739 ppm2 3.545
ASSI { 2797}
(( segid " A" and resid 118 and name HA ))
(( segid " A" and resid 121 and name HN ))
3.120 1.217 1.217 peak 2797 weight 1.00000E+00 volume 2.88800E+07 ppm1 7.019 ppm2 4.757
ASSI { 2802}
( segid " A" and resid 118 and name HB# )
(( segid " A" and resid 121 and name HN ))
2.429 0.738 0.738 peak 2802 weight 1.00000E+00 volume 1.29700E+08 ppm1 7.017 ppm2 1.279
ASSI { 2751}
( segid " A" and resid 118 and name HB# )
( segid " A" and resid 123 and name HD1#)
1.737 0.377 0.377 peak 2751 weight 1.00000E+00 volume 3.95640E+06 ppm1 0.685 ppm2 1.300
ASSI { 2083}
(( segid " A" and resid 118 and name HN ))
(( segid " A" and resid 123 and name HN ))
3.076 1.183 1.183 peak 2083 weight 1.00000E+00 volume 3.14310E+07 ppm1 8.740 ppm2 9.128
ASSI { 2621}
(( segid " A" and resid 119 and name HG1 ))
(( segid " A" and resid 119 and name HN ))
2.364 0.699 0.699 peak 2621 weight 1.00000E+00 volume 3.20644E+06 ppm1 2.062 ppm2 8.875
ASSI { 2096}
(( segid " A" and resid 119 and name HN ))
( segid " A" and resid 119 and name HB# )
2.257 0.637 0.637 peak 2096 weight 1.00000E+00 volume 2.01515E+08 ppm1 8.918 ppm2 1.911
ASSI { 2094}
(( segid " A" and resid 119 and name HN ))
(( segid " A" and resid 119 and name HA ))
2.447 0.748 0.748 peak 2094 weight 1.00000E+00 volume 1.24140E+08 ppm1 8.919 ppm2 4.151
ASSI { 2095}
(( segid " A" and resid 119 and name HG2 ))
(( segid " A" and resid 119 and name HN ))
2.354 0.692 0.692 peak 2095 weight 1.00000E+00 volume 1.56692E+08 ppm1 8.919 ppm2 2.040
ASSI { 91}
(( segid " A" and resid 119 and name HN ))
(( segid " A" and resid 120 and name HN ))
2.508 0.786 0.786 peak 91 weight 1.00000E+00 volume 1.07012E+08 ppm1 8.918 ppm2 8.039
ASSI { 2108}
(( segid " A" and resid 119 and name HG2 ))
(( segid " A" and resid 120 and name HN ))
2.651 0.879 0.879 peak 2108 weight 1.00000E+00 volume 7.66927E+07 ppm1 8.044 ppm2 2.042
ASSI { 2790}
(( segid " A" and resid 119 and name HN ))
(( segid " A" and resid 121 and name HN ))
3.242 1.314 1.314 peak 2790 weight 1.00000E+00 volume 2.29300E+07 ppm1 8.917 ppm2 7.024
ASSI { 2801}
( segid " A" and resid 119 and name HG# )
(( segid " A" and resid 121 and name HN ))
3.214 1.291 1.291 peak 2801 weight 1.00000E+00 volume 2.41600E+07 ppm1 7.014 ppm2 2.074
ASSI { 2099}
(( segid " A" and resid 119 and name HN ))
( segid " A" and resid 123 and name HD1#)
2.669 0.890 0.890 peak 2099 weight 1.00000E+00 volume 7.37253E+07 ppm1 8.920 ppm2 0.678
ASSI { 583}
(( segid " A" and resid 120 and name HN ))
(( segid " A" and resid 119 and name HA ))
2.923 1.068 1.068 peak 583 weight 1.00000E+00 volume 4.27015E+07 ppm1 8.044 ppm2 4.146
ASSI { 584}
(( segid " A" and resid 120 and name HN ))
( segid " A" and resid 119 and name HB# )
2.669 0.891 0.891 peak 584 weight 1.00000E+00 volume 7.36519E+07 ppm1 8.047 ppm2 1.913
ASSI { 2689}
(( segid " A" and resid 120 and name HB1 ))
(( segid " A" and resid 120 and name HB2 ))
2.399 0.719 0.719 peak 2689 weight 1.00000E+00 volume 2.63928E+06 ppm1 3.619 ppm2 2.569
ASSI { 2692}
(( segid " A" and resid 120 and name HB1 ))
(( segid " A" and resid 120 and name HA ))
2.479 0.768 0.768 peak 2692 weight 1.00000E+00 volume 2.41324E+06 ppm1 3.612 ppm2 4.882
ASSI { 2693}
(( segid " A" and resid 120 and name HB2 ))
(( segid " A" and resid 120 and name HA ))
2.639 0.871 0.871 peak 2693 weight 1.00000E+00 volume 1.65669E+06 ppm1 2.555 ppm2 4.902
ASSI { 234}
(( segid " A" and resid 120 and name HD22))
(( segid " A" and resid 120 and name HD21))
2.584 0.835 0.835 peak 234 weight 1.00000E+00 volume 8.34082E+07 ppm1 8.609 ppm2 7.062
ASSI { 2101}
(( segid " A" and resid 120 and name HN ))
(( segid " A" and resid 120 and name HA ))
2.858 1.021 1.021 peak 2101 weight 1.00000E+00 volume 4.89277E+07 ppm1 8.043 ppm2 4.877
ASSI { 2107}
(( segid " A" and resid 120 and name HN ))
(( segid " A" and resid 120 and name HB2 ))
3.000 1.125 1.125 peak 2107 weight 1.00000E+00 volume 3.65243E+07 ppm1 8.042 ppm2 2.529
ASSI { 2794}
(( segid " A" and resid 120 and name HN ))
(( segid " A" and resid 120 and name HB1 ))
3.101 1.202 1.202 peak 2794 weight 1.00000E+00 volume 2.99500E+07 ppm1 8.045 ppm2 3.617
ASSI { 2875}
(( segid " A" and resid 120 and name HB2 ))
(( segid " A" and resid 120 and name HD22))
3.224 1.299 1.299 peak 2875 weight 1.00000E+00 volume 2.37102E+07 ppm1 7.065 ppm2 2.527
ASSI { 2877}
(( segid " A" and resid 120 and name HB1 ))
(( segid " A" and resid 120 and name HD22))
3.084 1.189 1.189 peak 2877 weight 1.00000E+00 volume 3.09453E+07 ppm1 7.057 ppm2 3.623
ASSI { 2878}
(( segid " A" and resid 120 and name HB1 ))
(( segid " A" and resid 120 and name HD21))
3.069 1.177 1.177 peak 2878 weight 1.00000E+00 volume 3.18751E+07 ppm1 8.606 ppm2 3.609
ASSI { 2879}
(( segid " A" and resid 120 and name HB2 ))
(( segid " A" and resid 120 and name HD21))
3.058 1.169 1.169 peak 2879 weight 1.00000E+00 volume 3.25903E+07 ppm1 8.610 ppm2 2.531
ASSI { 4005}
(( segid " A" and resid 120 and name HB1 ))
(( segid " A" and resid 121 and name HN ))
2.635 0.868 0.868 peak 4005 weight 1.00000E+00 volume 1.67400E+06 ppm1 3.616 ppm2 7.042
ASSI { 35}
(( segid " A" and resid 120 and name HN ))
(( segid " A" and resid 121 and name HN ))
2.339 0.684 0.684 peak 35 weight 1.00000E+00 volume 1.62778E+08 ppm1 7.018 ppm2 8.040
ASSI { 862}
(( segid " A" and resid 120 and name HN ))
(( segid " A" and resid 121 and name HA1 ))
3.459 1.496 1.496 peak 862 weight 1.00000E+00 volume 1.55472E+07 ppm1 8.036 ppm2 5.753
ASSI { 867}
(( segid " A" and resid 120 and name HA ))
(( segid " A" and resid 121 and name HN ))
2.589 0.838 0.838 peak 867 weight 1.00000E+00 volume 8.84965E+07 ppm1 7.018 ppm2 4.874
ASSI { 2799}
(( segid " A" and resid 120 and name HB2 ))
(( segid " A" and resid 121 and name HN ))
3.204 1.283 1.283 peak 2799 weight 1.00000E+00 volume 2.46400E+07 ppm1 7.017 ppm2 2.549
ASSI { 2698}
(( segid " A" and resid 121 and name HA2 ))
(( segid " A" and resid 121 and name HA1 ))
2.258 0.637 0.637 peak 2698 weight 1.00000E+00 volume 4.22060E+06 ppm1 3.578 ppm2 5.758
ASSI { 860}
(( segid " A" and resid 121 and name HA1 ))
(( segid " A" and resid 121 and name HN ))
2.560 0.819 0.819 peak 860 weight 1.00000E+00 volume 9.46533E+07 ppm1 7.018 ppm2 5.766
ASSI { 861}
(( segid " A" and resid 121 and name HA2 ))
(( segid " A" and resid 121 and name HN ))
2.414 0.728 0.728 peak 861 weight 1.00000E+00 volume 1.34582E+08 ppm1 7.018 ppm2 3.543
ASSI { 3682}
(( segid " A" and resid 122 and name HB ))
(( segid " A" and resid 37 and name HA ))
2.808 0.985 0.985 peak 3682 weight 1.00000E+00 volume 1.14300E+06 ppm1 1.643 ppm2 5.308
ASSI { 2904}
(( segid " A" and resid 122 and name HB ))
(( segid " A" and resid 38 and name HN ))
3.250 1.320 1.320 peak 2904 weight 1.00000E+00 volume 2.26180E+07 ppm1 8.927 ppm2 1.605
ASSI { 3393}
(( segid " A" and resid 122 and name HB ))
(( segid " A" and resid 76 and name HA ))
2.657 0.883 0.883 peak 3393 weight 1.00000E+00 volume 1.58994E+06 ppm1 1.655 ppm2 4.076
ASSI { 2805}
(( segid " A" and resid 122 and name HN ))
(( segid " A" and resid 76 and name HA ))
3.377 1.426 1.426 peak 2805 weight 1.00000E+00 volume 1.79600E+07 ppm1 8.871 ppm2 4.098
ASSI { 2602}
(( segid " A" and resid 122 and name HB ))
(( segid " A" and resid 77 and name HN ))
2.856 1.020 1.020 peak 2602 weight 1.00000E+00 volume 4.90400E+07 ppm1 8.442 ppm2 1.617
ASSI { 3768}
( segid " A" and resid 122 and name HD1#)
( segid " A" and resid 78 and name HE# )
2.001 0.501 0.501 peak 3768 weight 1.00000E+00 volume 8.70900E+06 ppm1 2.905 ppm2 0.652
ASSI { 4014}
( segid " A" and resid 122 and name HD1#)
(( segid " A" and resid 78 and name HA ))
2.522 0.795 0.795 peak 4014 weight 1.00000E+00 volume 2.17600E+06 ppm1 0.651 ppm2 4.602
ASSI { 3977}
( segid " A" and resid 122 and name HG2#)
( segid " A" and resid 114 and name HB# )
3.030 1.147 1.147 peak 3977 weight 1.00000E+00 volume 7.24000E+05 ppm1 1.495 ppm2 0.371
ASSI { 2598}
( segid " A" and resid 122 and name HG2#)
(( segid " A" and resid 115 and name HA ))
2.204 0.607 0.607 peak 2598 weight 1.00000E+00 volume 4.20873E+06 ppm1 3.903 ppm2 0.379
ASSI { 4012}
( segid " A" and resid 122 and name HD1#)
(( segid " A" and resid 115 and name HA ))
2.542 0.808 0.808 peak 4012 weight 1.00000E+00 volume 2.07300E+06 ppm1 0.649 ppm2 3.895
ASSI { 2776}
( segid " A" and resid 122 and name HG2#)
(( segid " A" and resid 115 and name HN ))
2.786 0.970 0.970 peak 2776 weight 1.00000E+00 volume 5.69800E+07 ppm1 9.719 ppm2 0.344
ASSI { 2076}
( segid " A" and resid 122 and name HG2#)
(( segid " A" and resid 116 and name HN ))
2.249 0.632 0.632 peak 2076 weight 1.00000E+00 volume 9.04683E+07 ppm1 8.666 ppm2 0.351
ASSI { 2781}
( segid " A" and resid 122 and name HD1#)
(( segid " A" and resid 116 and name HN ))
2.595 0.842 0.842 peak 2781 weight 1.00000E+00 volume 8.72400E+07 ppm1 8.665 ppm2 0.654
ASSI { 2664}
( segid " A" and resid 122 and name HD1#)
(( segid " A" and resid 117 and name HG2 ))
2.424 0.734 0.734 peak 2664 weight 1.00000E+00 volume 1.94587E+06 ppm1 2.339 ppm2 0.643
ASSI { 2786}
( segid " A" and resid 122 and name HD1#)
(( segid " A" and resid 117 and name HN ))
2.715 0.922 0.922 peak 2786 weight 1.00000E+00 volume 6.51200E+07 ppm1 8.362 ppm2 0.656
ASSI { 4002}
(( segid " A" and resid 122 and name HN ))
( segid " A" and resid 118 and name HB# )
2.140 0.573 0.573 peak 4002 weight 1.00000E+00 volume 5.82100E+06 ppm1 1.295 ppm2 8.881
ASSI { 94}
(( segid " A" and resid 122 and name HN ))
(( segid " A" and resid 118 and name HN ))
2.721 0.926 0.926 peak 94 weight 1.00000E+00 volume 6.56229E+07 ppm1 8.736 ppm2 8.895
ASSI { 2086}
(( segid " A" and resid 122 and name HB ))
(( segid " A" and resid 118 and name HN ))
3.296 1.358 1.358 peak 2086 weight 1.00000E+00 volume 2.07849E+07 ppm1 8.743 ppm2 1.616
ASSI { 2089}
( segid " A" and resid 122 and name HD1#)
(( segid " A" and resid 118 and name HN ))
2.407 0.724 0.724 peak 2089 weight 1.00000E+00 volume 1.08571E+08 ppm1 8.740 ppm2 0.648
ASSI { 2788}
(( segid " A" and resid 122 and name HG11))
(( segid " A" and resid 118 and name HN ))
3.205 1.284 1.284 peak 2788 weight 1.00000E+00 volume 2.45700E+07 ppm1 8.739 ppm2 1.019
ASSI { 2789}
( segid " A" and resid 122 and name HG2#)
(( segid " A" and resid 118 and name HN ))
3.276 1.341 1.341 peak 2789 weight 1.00000E+00 volume 2.15600E+07 ppm1 8.740 ppm2 0.363
ASSI { 2697}
(( segid " A" and resid 122 and name HG11))
(( segid " A" and resid 121 and name HA2 ))
2.703 0.913 0.913 peak 2697 weight 1.00000E+00 volume 1.43596E+06 ppm1 3.570 ppm2 1.049
ASSI { 857}
(( segid " A" and resid 122 and name HN ))
(( segid " A" and resid 121 and name HA1 ))
2.398 0.719 0.719 peak 857 weight 1.00000E+00 volume 1.39928E+08 ppm1 8.871 ppm2 5.771
ASSI { 38}
(( segid " A" and resid 122 and name HN ))
(( segid " A" and resid 121 and name HN ))
2.749 0.945 0.945 peak 38 weight 1.00000E+00 volume 6.16888E+07 ppm1 7.016 ppm2 8.885
ASSI { 859}
(( segid " A" and resid 122 and name HN ))
(( segid " A" and resid 121 and name HA2 ))
2.430 0.738 0.738 peak 859 weight 1.00000E+00 volume 1.29465E+08 ppm1 8.870 ppm2 3.536
ASSI { 1360}
(( segid " A" and resid 122 and name HB ))
( segid " A" and resid 122 and name HD1#)
2.478 0.767 0.767 peak 1360 weight 1.00000E+00 volume 2.41868E+06 ppm1 1.642 ppm2 0.636
ASSI { 865}
(( segid " A" and resid 122 and name HB ))
(( segid " A" and resid 122 and name HN ))
2.439 0.744 0.744 peak 865 weight 1.00000E+00 volume 1.26586E+08 ppm1 8.871 ppm2 1.612
ASSI { 2708}
(( segid " A" and resid 122 and name HB ))
( segid " A" and resid 122 and name HG2#)
2.125 0.565 0.565 peak 2708 weight 1.00000E+00 volume 3.44284E+06 ppm1 1.647 ppm2 0.378
ASSI { 2711}
(( segid " A" and resid 122 and name HG11))
( segid " A" and resid 122 and name HD1#)
1.894 0.448 0.448 peak 2711 weight 1.00000E+00 volume 1.21398E+07 ppm1 0.651 ppm2 1.035
ASSI { 2721}
( segid " A" and resid 122 and name HD1#)
(( segid " A" and resid 122 and name HA ))
2.291 0.656 0.656 peak 2721 weight 1.00000E+00 volume 3.86949E+06 ppm1 0.651 ppm2 4.835
ASSI { 2727}
(( segid " A" and resid 122 and name HG11))
(( segid " A" and resid 122 and name HG12))
1.616 0.326 0.326 peak 2727 weight 1.00000E+00 volume 3.14922E+07 ppm1 1.100 ppm2 1.027
ASSI { 2729}
(( segid " A" and resid 122 and name HB ))
(( segid " A" and resid 122 and name HG12))
2.275 0.647 0.647 peak 2729 weight 1.00000E+00 volume 4.04067E+06 ppm1 1.096 ppm2 1.644
ASSI { 703}
(( segid " A" and resid 122 and name HB ))
(( segid " A" and resid 122 and name HG11))
2.150 0.578 0.578 peak 703 weight 1.00000E+00 volume 5.66184E+06 ppm1 1.644 ppm2 1.049
ASSI { 2709}
( segid " A" and resid 122 and name HD1#)
( segid " A" and resid 122 and name HG2#)
1.930 0.466 0.466 peak 2709 weight 1.00000E+00 volume 1.08259E+07 ppm1 0.652 ppm2 0.380
ASSI { 2742}
( segid " A" and resid 122 and name HG2#)
(( segid " A" and resid 122 and name HA ))
2.360 0.696 0.696 peak 2742 weight 1.00000E+00 volume 3.23836E+06 ppm1 0.375 ppm2 4.838
ASSI { 864}
(( segid " A" and resid 122 and name HN ))
(( segid " A" and resid 122 and name HA ))
2.735 0.935 0.935 peak 864 weight 1.00000E+00 volume 6.36895E+07 ppm1 8.870 ppm2 4.827
ASSI { 2133}
(( segid " A" and resid 122 and name HG11))
(( segid " A" and resid 122 and name HN ))
2.454 0.753 0.753 peak 2133 weight 1.00000E+00 volume 1.22101E+08 ppm1 8.871 ppm2 0.993
ASSI { 2135}
(( segid " A" and resid 122 and name HN ))
( segid " A" and resid 122 and name HG2#)
2.769 0.959 0.959 peak 2135 weight 1.00000E+00 volume 4.38014E+07 ppm1 8.869 ppm2 0.348
ASSI { 134}
(( segid " A" and resid 122 and name HN ))
(( segid " A" and resid 123 and name HN ))
3.089 1.193 1.193 peak 134 weight 1.00000E+00 volume 3.06437E+07 ppm1 8.868 ppm2 9.119
ASSI { 586}
(( segid " A" and resid 122 and name HB ))
(( segid " A" and resid 123 and name HN ))
2.961 1.096 1.096 peak 586 weight 1.00000E+00 volume 3.95308E+07 ppm1 9.129 ppm2 1.611
ASSI { 971}
( segid " A" and resid 122 and name HD1#)
(( segid " A" and resid 123 and name HN ))
2.301 0.662 0.662 peak 971 weight 1.00000E+00 volume 1.79257E+08 ppm1 9.127 ppm2 0.662
ASSI { 587}
(( segid " A" and resid 122 and name HA ))
(( segid " A" and resid 123 and name HN ))
2.190 0.599 0.599 peak 587 weight 1.00000E+00 volume 2.41724E+08 ppm1 9.128 ppm2 4.830
ASSI { 2804}
(( segid " A" and resid 122 and name HN ))
(( segid " A" and resid 123 and name HA ))
3.498 1.530 1.530 peak 2804 weight 1.00000E+00 volume 1.45400E+07 ppm1 8.870 ppm2 4.654
ASSI { 2810}
( segid " A" and resid 122 and name HG2#)
(( segid " A" and resid 123 and name HN ))
2.308 0.666 0.666 peak 2810 weight 1.00000E+00 volume 1.27100E+08 ppm1 9.127 ppm2 0.346
ASSI { 2813}
( segid " A" and resid 122 and name HG2#)
(( segid " A" and resid 124 and name HN ))
3.616 1.635 1.635 peak 2813 weight 1.00000E+00 volume 1.19100E+07 ppm1 8.794 ppm2 0.338
ASSI { 4142}
(( segid " A" and resid 123 and name HG12))
(( segid " A" and resid 38 and name HB ))
2.727 0.929 0.929 peak 4142 weight 1.00000E+00 volume 1.36250E+06 ppm1 1.827 ppm2 0.548
ASSI { 1018}
(( segid " A" and resid 123 and name HA ))
(( segid " A" and resid 38 and name HN ))
2.712 0.919 0.919 peak 1018 weight 1.00000E+00 volume 6.69746E+07 ppm1 8.921 ppm2 4.636
ASSI { 2905}
(( segid " A" and resid 123 and name HG11))
(( segid " A" and resid 38 and name HN ))
3.200 1.280 1.280 peak 2905 weight 1.00000E+00 volume 2.48118E+07 ppm1 8.924 ppm2 1.418
ASSI { 2238}
( segid " A" and resid 123 and name HG2#)
( segid " A" and resid 40 and name HB# )
1.941 0.471 0.471 peak 2238 weight 1.00000E+00 volume 1.04839E+07 ppm1 0.693 ppm2 1.051
ASSI { 1471}
( segid " A" and resid 123 and name HG2#)
(( segid " A" and resid 40 and name HN ))
2.485 0.772 0.772 peak 1471 weight 1.00000E+00 volume 1.13087E+08 ppm1 8.833 ppm2 0.720
ASSI { 3820}
(( segid " A" and resid 123 and name HB ))
( segid " A" and resid 116 and name HG2#)
1.992 0.496 0.496 peak 3820 weight 1.00000E+00 volume 8.95900E+06 ppm1 0.767 ppm2 1.444
ASSI { 4023}
(( segid " A" and resid 123 and name HB ))
(( segid " A" and resid 116 and name HB ))
2.502 0.782 0.782 peak 4023 weight 1.00000E+00 volume 2.28400E+06 ppm1 1.442 ppm2 2.066
ASSI { 700}
(( segid " A" and resid 123 and name HB ))
( segid " A" and resid 123 and name HG2#)
1.812 0.411 0.411 peak 700 weight 1.00000E+00 volume 6.18298E+06 ppm1 1.448 ppm2 0.709
ASSI { 2749}
( segid " A" and resid 123 and name HD1#)
(( segid " A" and resid 123 and name HG12))
1.979 0.490 0.490 peak 2749 weight 1.00000E+00 volume 9.30856E+06 ppm1 0.683 ppm2 0.577
ASSI { 2759}
(( segid " A" and resid 123 and name HG12))
(( segid " A" and resid 123 and name HG11))
2.396 0.717 0.717 peak 2759 weight 1.00000E+00 volume 2.96115E+06 ppm1 0.573 ppm2 1.409
ASSI { 2760}
( segid " A" and resid 123 and name HG2#)
(( segid " A" and resid 123 and name HG12))
2.052 0.526 0.526 peak 2760 weight 1.00000E+00 volume 7.50730E+06 ppm1 0.574 ppm2 0.679
ASSI { 2761}
( segid " A" and resid 123 and name HD1#)
(( segid " A" and resid 123 and name HG11))
2.075 0.538 0.538 peak 2761 weight 1.00000E+00 volume 7.00417E+06 ppm1 1.395 ppm2 0.675
ASSI { 4106}
( segid " A" and resid 123 and name HG2#)
(( segid " A" and resid 123 and name HA ))
2.198 0.604 0.604 peak 4106 weight 1.00000E+00 volume 4.96800E+06 ppm1 0.691 ppm2 4.651
ASSI { 869}
(( segid " A" and resid 123 and name HN ))
(( segid " A" and resid 123 and name HA ))
2.757 0.950 0.950 peak 869 weight 1.00000E+00 volume 6.05980E+07 ppm1 9.125 ppm2 4.637
ASSI { 870}
(( segid " A" and resid 123 and name HB ))
(( segid " A" and resid 123 and name HN ))
2.297 0.659 0.659 peak 870 weight 1.00000E+00 volume 1.81447E+08 ppm1 9.128 ppm2 1.421
ASSI { 4029}
( segid " A" and resid 123 and name HG2#)
(( segid " A" and resid 124 and name HA ))
2.627 0.862 0.862 peak 4029 weight 1.00000E+00 volume 1.70500E+06 ppm1 5.560 ppm2 0.730
ASSI { 165}
(( segid " A" and resid 123 and name HN ))
(( segid " A" and resid 124 and name HN ))
3.226 1.301 1.301 peak 165 weight 1.00000E+00 volume 2.36287E+07 ppm1 8.784 ppm2 9.124
ASSI { 973}
( segid " A" and resid 123 and name HG2#)
(( segid " A" and resid 124 and name HN ))
2.378 0.707 0.707 peak 973 weight 1.00000E+00 volume 1.47484E+08 ppm1 8.785 ppm2 0.682
ASSI { 588}
(( segid " A" and resid 123 and name HA ))
(( segid " A" and resid 124 and name HN ))
2.293 0.657 0.657 peak 588 weight 1.00000E+00 volume 1.83254E+08 ppm1 8.785 ppm2 4.637
ASSI { 2812}
(( segid " A" and resid 123 and name HG12))
(( segid " A" and resid 124 and name HN ))
2.921 1.066 1.066 peak 2812 weight 1.00000E+00 volume 4.29100E+07 ppm1 8.784 ppm2 0.554
ASSI { 977}
( segid " A" and resid 123 and name HG2#)
(( segid " A" and resid 125 and name HN ))
2.626 0.862 0.862 peak 977 weight 1.00000E+00 volume 8.11507E+07 ppm1 9.515 ppm2 0.708
ASSI { 4303}
(( segid " A" and resid 124 and name HB1 ))
( segid " A" and resid 39 and name HD# )
2.814 0.990 0.990 peak 4303 weight 1.00000E+00 volume 1.12833E+06 ppm1 3.036 ppm2 7.090
ASSI { 3912}
(( segid " A" and resid 124 and name HB2 ))
( segid " A" and resid 104 and name HD1#)
2.734 0.934 0.934 peak 3912 weight 1.00000E+00 volume 1.34100E+06 ppm1 0.623 ppm2 2.971
ASSI { 2764}
(( segid " A" and resid 124 and name HB2 ))
(( segid " A" and resid 113 and name HN ))
3.610 1.629 1.629 peak 2764 weight 1.00000E+00 volume 1.20400E+07 ppm1 7.275 ppm2 2.951
ASSI { 3982}
(( segid " A" and resid 124 and name HB1 ))
( segid " A" and resid 114 and name HB# )
2.466 0.760 0.760 peak 3982 weight 1.00000E+00 volume 2.49000E+06 ppm1 1.493 ppm2 3.035
ASSI { 2772}
(( segid " A" and resid 124 and name HA ))
(( segid " A" and resid 115 and name HN ))
3.128 1.223 1.223 peak 2772 weight 1.00000E+00 volume 2.84600E+07 ppm1 9.718 ppm2 5.539
ASSI { 3990}
(( segid " A" and resid 124 and name HA ))
( segid " A" and resid 116 and name HD1#)
2.808 0.985 0.985 peak 3990 weight 1.00000E+00 volume 1.14300E+06 ppm1 0.779 ppm2 5.523
ASSI { 2064}
(( segid " A" and resid 124 and name HA ))
(( segid " A" and resid 116 and name HN ))
3.022 1.141 1.141 peak 2064 weight 1.00000E+00 volume 3.49879E+07 ppm1 8.665 ppm2 5.535
ASSI { 2768}
(( segid " A" and resid 124 and name HB1 ))
(( segid " A" and resid 124 and name HB2 ))
1.980 0.490 0.490 peak 2768 weight 1.00000E+00 volume 9.28471E+06 ppm1 3.039 ppm2 2.975
ASSI { 2773}
(( segid " A" and resid 124 and name HB1 ))
(( segid " A" and resid 124 and name HA ))
2.665 0.888 0.888 peak 2773 weight 1.00000E+00 volume 1.56101E+06 ppm1 3.034 ppm2 5.542
ASSI { 2763}
(( segid " A" and resid 124 and name HB2 ))
(( segid " A" and resid 124 and name HA ))
2.387 0.712 0.712 peak 2763 weight 1.00000E+00 volume 3.02307E+06 ppm1 5.561 ppm2 2.991
ASSI { 871}
(( segid " A" and resid 124 and name HA ))
(( segid " A" and resid 124 and name HN ))
2.722 0.926 0.926 peak 871 weight 1.00000E+00 volume 6.55007E+07 ppm1 8.784 ppm2 5.519
ASSI { 872}
(( segid " A" and resid 124 and name HB1 ))
(( segid " A" and resid 124 and name HN ))
2.629 0.864 0.864 peak 872 weight 1.00000E+00 volume 8.07642E+07 ppm1 8.784 ppm2 3.004
ASSI { 4033}
(( segid " A" and resid 124 and name HA ))
( segid " A" and resid 125 and name HG1#)
2.701 0.912 0.912 peak 4033 weight 1.00000E+00 volume 1.44300E+06 ppm1 1.272 ppm2 5.546
ASSI { 590}
(( segid " A" and resid 124 and name HB2 ))
(( segid " A" and resid 125 and name HN ))
2.645 0.875 0.875 peak 590 weight 1.00000E+00 volume 7.77387E+07 ppm1 9.513 ppm2 2.966
ASSI { 591}
(( segid " A" and resid 124 and name HA ))
(( segid " A" and resid 125 and name HN ))
2.155 0.580 0.580 peak 591 weight 1.00000E+00 volume 2.66138E+08 ppm1 9.512 ppm2 5.543
ASSI { 1737}
( segid " A" and resid 125 and name HG1#)
( segid " A" and resid 40 and name HB# )
1.915 0.458 0.458 peak 1737 weight 1.00000E+00 volume 1.13552E+07 ppm1 1.263 ppm2 1.030
ASSI { 4047}
( segid " A" and resid 125 and name HG2#)
(( segid " A" and resid 112 and name HN ))
2.955 1.092 1.092 peak 4047 weight 1.00000E+00 volume 8.40700E+05 ppm1 1.381 ppm2 9.259
ASSI { 3989}
( segid " A" and resid 125 and name HG1#)
( segid " A" and resid 116 and name HD1#)
1.877 0.440 0.440 peak 3989 weight 1.00000E+00 volume 1.28000E+07 ppm1 0.779 ppm2 1.287
ASSI { 162}
(( segid " A" and resid 125 and name HN ))
(( segid " A" and resid 124 and name HN ))
2.975 1.106 1.106 peak 162 weight 1.00000E+00 volume 3.84271E+07 ppm1 9.511 ppm2 8.782
ASSI { 875}
(( segid " A" and resid 125 and name HA ))
(( segid " A" and resid 124 and name HN ))
3.349 1.402 1.402 peak 875 weight 1.00000E+00 volume 1.88863E+07 ppm1 8.784 ppm2 4.817
ASSI { 2781}
(( segid " A" and resid 125 and name HB ))
(( segid " A" and resid 125 and name HA ))
2.423 0.734 0.734 peak 2781 weight 1.00000E+00 volume 2.76647E+06 ppm1 2.202 ppm2 4.859
ASSI { 874}
(( segid " A" and resid 125 and name HB ))
(( segid " A" and resid 125 and name HN ))
2.416 0.729 0.729 peak 874 weight 1.00000E+00 volume 1.34089E+08 ppm1 9.512 ppm2 2.200
ASSI { 2788}
( segid " A" and resid 125 and name HG1#)
(( segid " A" and resid 125 and name HB ))
2.203 0.607 0.607 peak 2788 weight 1.00000E+00 volume 4.89487E+06 ppm1 1.278 ppm2 2.209
ASSI { 2779}
( segid " A" and resid 125 and name HG2#)
(( segid " A" and resid 125 and name HB ))
2.055 0.528 0.528 peak 2779 weight 1.00000E+00 volume 7.43450E+06 ppm1 2.209 ppm2 1.395
ASSI { 2803}
( segid " A" and resid 125 and name HG2#)
(( segid " A" and resid 125 and name HA ))
2.287 0.654 0.654 peak 2803 weight 1.00000E+00 volume 3.91617E+06 ppm1 1.384 ppm2 4.831
ASSI { 873}
(( segid " A" and resid 125 and name HA ))
(( segid " A" and resid 125 and name HN ))
2.773 0.961 0.961 peak 873 weight 1.00000E+00 volume 5.86260E+07 ppm1 9.512 ppm2 4.819
ASSI { 2155}
( segid " A" and resid 125 and name HG1#)
(( segid " A" and resid 125 and name HN ))
2.279 0.649 0.649 peak 2155 weight 1.00000E+00 volume 1.90065E+08 ppm1 9.512 ppm2 1.269
ASSI { 4046}
( segid " A" and resid 125 and name HG2#)
(( segid " A" and resid 126 and name HN ))
2.482 0.770 0.770 peak 4046 weight 1.00000E+00 volume 2.39400E+06 ppm1 1.383 ppm2 8.594
ASSI { 327}
(( segid " A" and resid 125 and name HN ))
(( segid " A" and resid 126 and name HN ))
3.313 1.372 1.372 peak 327 weight 1.00000E+00 volume 2.01474E+07 ppm1 8.611 ppm2 9.501
ASSI { 592}
(( segid " A" and resid 125 and name HA ))
(( segid " A" and resid 126 and name HN ))
2.262 0.639 0.639 peak 592 weight 1.00000E+00 volume 1.99110E+08 ppm1 8.607 ppm2 4.816
ASSI { 593}
(( segid " A" and resid 125 and name HB ))
(( segid " A" and resid 126 and name HN ))
3.316 1.375 1.375 peak 593 weight 1.00000E+00 volume 2.00248E+07 ppm1 8.613 ppm2 2.184
ASSI { 4299}
( segid " A" and resid 126 and name HG2#)
( segid " A" and resid 39 and name HD# )
2.405 0.723 0.723 peak 4299 weight 1.00000E+00 volume 2.89501E+06 ppm1 0.917 ppm2 7.085
ASSI { 4059}
( segid " A" and resid 126 and name HD1#)
(( segid " A" and resid 40 and name HA ))
2.891 1.045 1.045 peak 4059 weight 1.00000E+00 volume 9.59500E+05 ppm1 1.137 ppm2 4.627
ASSI { 4061}
( segid " A" and resid 126 and name HD1#)
(( segid " A" and resid 41 and name HA ))
2.569 0.825 0.825 peak 4061 weight 1.00000E+00 volume 1.94800E+06 ppm1 1.143 ppm2 5.040
ASSI { 2820}
(( segid " A" and resid 126 and name HN ))
(( segid " A" and resid 41 and name HA ))
2.642 0.873 0.873 peak 2820 weight 1.00000E+00 volume 7.82400E+07 ppm1 8.607 ppm2 5.008
ASSI { 2454}
( segid " A" and resid 126 and name HD1#)
(( segid " A" and resid 42 and name HN ))
3.302 1.363 1.363 peak 2454 weight 1.00000E+00 volume 2.05700E+07 ppm1 7.053 ppm2 1.154
ASSI { 2481}
( segid " A" and resid 126 and name HG2#)
( segid " A" and resid 109 and name HB# )
2.132 0.568 0.568 peak 2481 weight 1.00000E+00 volume 5.16789E+06 ppm1 1.493 ppm2 0.909
ASSI { 2822}
(( segid " A" and resid 126 and name HB ))
( segid " A" and resid 109 and name HB# )
2.151 0.578 0.578 peak 2822 weight 1.00000E+00 volume 4.74140E+06 ppm1 1.918 ppm2 1.485
ASSI { 4056}
( segid " A" and resid 126 and name HD1#)
( segid " A" and resid 109 and name HB# )
2.535 0.803 0.803 peak 4056 weight 1.00000E+00 volume 2.11200E+06 ppm1 1.141 ppm2 1.493
ASSI { 2750}
(( segid " A" and resid 126 and name HA ))
(( segid " A" and resid 110 and name HN ))
2.795 0.977 0.977 peak 2750 weight 1.00000E+00 volume 1.82200E+07 ppm1 8.792 ppm2 5.587
ASSI { 2021}
(( segid " A" and resid 126 and name HB ))
(( segid " A" and resid 110 and name HN ))
2.959 1.094 1.094 peak 2021 weight 1.00000E+00 volume 3.96946E+07 ppm1 8.794 ppm2 1.903
ASSI { 2759}
( segid " A" and resid 126 and name HG2#)
(( segid " A" and resid 110 and name HN ))
2.938 1.079 1.079 peak 2759 weight 1.00000E+00 volume 4.14600E+07 ppm1 8.791 ppm2 0.871
ASSI { 2029}
(( segid " A" and resid 126 and name HB ))
(( segid " A" and resid 112 and name HN ))
3.615 1.633 1.633 peak 2029 weight 1.00000E+00 volume 1.19457E+07 ppm1 9.289 ppm2 1.890
ASSI { 2760}
(( segid " A" and resid 126 and name HA ))
(( segid " A" and resid 112 and name HN ))
2.679 0.897 0.897 peak 2760 weight 1.00000E+00 volume 5.19200E+07 ppm1 9.284 ppm2 5.599
ASSI { 4060}
( segid " A" and resid 126 and name HD1#)
(( segid " A" and resid 125 and name HA ))
2.773 0.962 0.962 peak 4060 weight 1.00000E+00 volume 1.23000E+06 ppm1 1.147 ppm2 4.799
ASSI { 4070}
( segid " A" and resid 126 and name HG2#)
(( segid " A" and resid 125 and name HA ))
2.675 0.894 0.894 peak 4070 weight 1.00000E+00 volume 1.52800E+06 ppm1 0.913 ppm2 4.789
ASSI { 2818}
( segid " A" and resid 126 and name HD1#)
(( segid " A" and resid 125 and name HN ))
3.587 1.608 1.608 peak 2818 weight 1.00000E+00 volume 1.25100E+07 ppm1 9.509 ppm2 1.123
ASSI { 60}
(( segid " A" and resid 126 and name HG11))
(( segid " A" and resid 126 and name HG12))
2.051 0.526 0.526 peak 60 weight 1.00000E+00 volume 7.51415E+06 ppm1 0.834 ppm2 1.325
ASSI { 2051}
(( segid " A" and resid 126 and name HB ))
(( segid " A" and resid 126 and name HA ))
2.565 0.822 0.822 peak 2051 weight 1.00000E+00 volume 1.65251E+06 ppm1 1.917 ppm2 5.618
ASSI { 2819}
(( segid " A" and resid 126 and name HA ))
( segid " A" and resid 126 and name HG2#)
2.190 0.600 0.600 peak 2819 weight 1.00000E+00 volume 3.69857E+06 ppm1 5.619 ppm2 0.909
ASSI { 2820}
( segid " A" and resid 126 and name HD1#)
(( segid " A" and resid 126 and name HA ))
2.844 1.011 1.011 peak 2820 weight 1.00000E+00 volume 1.05695E+06 ppm1 5.623 ppm2 1.143
ASSI { 2823}
( segid " A" and resid 126 and name HD1#)
(( segid " A" and resid 126 and name HB ))
2.439 0.744 0.744 peak 2823 weight 1.00000E+00 volume 2.65656E+06 ppm1 1.920 ppm2 1.158
ASSI { 2830}
( segid " A" and resid 126 and name HD1#)
( segid " A" and resid 126 and name HG2#)
1.923 0.462 0.462 peak 2830 weight 1.00000E+00 volume 9.03098E+06 ppm1 1.140 ppm2 0.924
ASSI { 2831}
(( segid " A" and resid 126 and name HG11))
( segid " A" and resid 126 and name HD1#)
2.061 0.531 0.531 peak 2831 weight 1.00000E+00 volume 7.31208E+06 ppm1 1.143 ppm2 0.809
ASSI { 2853}
(( segid " A" and resid 126 and name HB ))
( segid " A" and resid 126 and name HG2#)
2.138 0.571 0.571 peak 2853 weight 1.00000E+00 volume 5.86265E+06 ppm1 0.915 ppm2 1.916
ASSI { 979}
( segid " A" and resid 126 and name HG2#)
(( segid " A" and resid 126 and name HN ))
2.517 0.792 0.792 peak 979 weight 1.00000E+00 volume 1.04693E+08 ppm1 8.606 ppm2 0.899
ASSI { 2824}
(( segid " A" and resid 126 and name HG11))
(( segid " A" and resid 126 and name HB ))
2.207 0.609 0.609 peak 2824 weight 1.00000E+00 volume 3.46219E+06 ppm1 1.921 ppm2 0.784
ASSI { 879}
(( segid " A" and resid 126 and name HA ))
(( segid " A" and resid 126 and name HN ))
2.872 1.031 1.031 peak 879 weight 1.00000E+00 volume 4.74943E+07 ppm1 8.608 ppm2 5.588
ASSI { 880}
(( segid " A" and resid 126 and name HB ))
(( segid " A" and resid 126 and name HN ))
2.980 1.110 1.110 peak 880 weight 1.00000E+00 volume 3.80254E+07 ppm1 8.607 ppm2 1.900
ASSI { 2163}
(( segid " A" and resid 126 and name HG12))
(( segid " A" and resid 126 and name HN ))
2.170 0.589 0.589 peak 2163 weight 1.00000E+00 volume 2.55074E+08 ppm1 8.607 ppm2 1.338
ASSI { 2164}
( segid " A" and resid 126 and name HD1#)
(( segid " A" and resid 126 and name HN ))
2.695 0.908 0.908 peak 2164 weight 1.00000E+00 volume 6.96024E+07 ppm1 8.606 ppm2 1.126
ASSI { 4051}
(( segid " A" and resid 126 and name HA ))
(( segid " A" and resid 127 and name HB1 ))
2.923 1.068 1.068 peak 4051 weight 1.00000E+00 volume 8.97700E+05 ppm1 5.618 ppm2 3.206
ASSI { 876}
(( segid " A" and resid 126 and name HB ))
(( segid " A" and resid 127 and name HN ))
2.297 0.659 0.659 peak 876 weight 1.00000E+00 volume 1.81477E+08 ppm1 8.077 ppm2 1.902
ASSI { 883}
(( segid " A" and resid 126 and name HN ))
(( segid " A" and resid 127 and name HA ))
3.374 1.423 1.423 peak 883 weight 1.00000E+00 volume 1.80652E+07 ppm1 8.608 ppm2 4.572
ASSI { 877}
(( segid " A" and resid 126 and name HA ))
(( segid " A" and resid 127 and name HN ))
2.200 0.605 0.605 peak 877 weight 1.00000E+00 volume 2.35077E+08 ppm1 8.077 ppm2 5.597
ASSI { 2827}
(( segid " A" and resid 126 and name HG12))
(( segid " A" and resid 127 and name HN ))
2.642 0.873 0.873 peak 2827 weight 1.00000E+00 volume 7.82900E+07 ppm1 8.076 ppm2 1.336
ASSI { 2567}
(( segid " A" and resid 126 and name HB ))
(( segid " A" and resid 128 and name HN ))
2.270 0.644 0.644 peak 2567 weight 1.00000E+00 volume 1.94900E+08 ppm1 7.348 ppm2 1.881
ASSI { 1706}
(( segid " A" and resid 126 and name HG12))
(( segid " A" and resid 128 and name HN ))
2.496 0.779 0.779 peak 1706 weight 1.00000E+00 volume 1.10089E+08 ppm1 7.341 ppm2 1.329
ASSI { 2915}
(( segid " A" and resid 126 and name HA ))
(( segid " A" and resid 128 and name HN ))
2.955 1.091 1.091 peak 2915 weight 1.00000E+00 volume 4.00239E+07 ppm1 7.345 ppm2 5.592
ASSI { 2844}
(( segid " A" and resid 127 and name HA ))
(( segid " A" and resid 44 and name HN ))
3.156 1.245 1.245 peak 2844 weight 1.00000E+00 volume 2.69800E+07 ppm1 8.027 ppm2 4.533
ASSI { 2826}
(( segid " A" and resid 127 and name HN ))
( segid " A" and resid 109 and name HB# )
2.358 0.695 0.695 peak 2826 weight 1.00000E+00 volume 1.55100E+08 ppm1 8.077 ppm2 1.491
ASSI { 172}
(( segid " A" and resid 127 and name HN ))
(( segid " A" and resid 110 and name HN ))
2.742 0.940 0.940 peak 172 weight 1.00000E+00 volume 5.60897E+07 ppm1 8.793 ppm2 8.075
ASSI { 397}
(( segid " A" and resid 127 and name HN ))
(( segid " A" and resid 112 and name HN ))
3.320 1.378 1.378 peak 397 weight 1.00000E+00 volume 1.99012E+07 ppm1 9.283 ppm2 8.070
ASSI { 403}
(( segid " A" and resid 127 and name HN ))
(( segid " A" and resid 126 and name HN ))
3.140 1.232 1.232 peak 403 weight 1.00000E+00 volume 2.78023E+07 ppm1 8.074 ppm2 8.617
ASSI { 2876}
(( segid " A" and resid 127 and name HB2 ))
(( segid " A" and resid 127 and name HB1 ))
2.209 0.610 0.610 peak 2876 weight 1.00000E+00 volume 4.81434E+06 ppm1 3.240 ppm2 2.477
ASSI { 2878}
(( segid " A" and resid 127 and name HB1 ))
(( segid " A" and resid 127 and name HA ))
2.394 0.716 0.716 peak 2878 weight 1.00000E+00 volume 2.97290E+06 ppm1 3.245 ppm2 4.565
ASSI { 2879}
(( segid " A" and resid 127 and name HB2 ))
(( segid " A" and resid 127 and name HA ))
2.561 0.820 0.820 peak 2879 weight 1.00000E+00 volume 1.98538E+06 ppm1 2.470 ppm2 4.560
ASSI { 881}
(( segid " A" and resid 127 and name HN ))
(( segid " A" and resid 127 and name HA ))
2.443 0.746 0.746 peak 881 weight 1.00000E+00 volume 1.25163E+08 ppm1 8.076 ppm2 4.551
ASSI { 882}
(( segid " A" and resid 127 and name HN ))
(( segid " A" and resid 127 and name HB2 ))
2.604 0.848 0.848 peak 882 weight 1.00000E+00 volume 8.54238E+07 ppm1 8.077 ppm2 2.454
ASSI { 1179}
(( segid " A" and resid 127 and name HN ))
(( segid " A" and resid 127 and name HB1 ))
2.606 0.849 0.849 peak 1179 weight 1.00000E+00 volume 8.51232E+07 ppm1 8.077 ppm2 3.223
ASSI { 2825}
(( segid " A" and resid 127 and name HN ))
(( segid " A" and resid 128 and name HB ))
3.401 1.446 1.446 peak 2825 weight 1.00000E+00 volume 1.72000E+07 ppm1 8.080 ppm2 3.574
ASSI { 3639}
(( segid " A" and resid 128 and name HA ))
( segid " A" and resid 48 and name HD# )
2.594 0.841 0.841 peak 3639 weight 1.00000E+00 volume 1.83800E+06 ppm1 1.806 ppm2 4.462
ASSI { 2339}
( segid " A" and resid 128 and name HG2#)
(( segid " A" and resid 108 and name HD21))
2.606 0.849 0.849 peak 2339 weight 1.00000E+00 volume 7.62200E+07 ppm1 7.639 ppm2 1.175
ASSI { 1993}
( segid " A" and resid 128 and name HG2#)
(( segid " A" and resid 108 and name HD22))
2.672 0.893 0.893 peak 1993 weight 1.00000E+00 volume 7.31264E+07 ppm1 7.154 ppm2 1.180
OR { 1993}
( segid " A" and resid 53 and name HG2#)
(( segid " A" and resid 108 and name HD22))
ASSI { 2744}
( segid " A" and resid 128 and name HG2#)
(( segid " A" and resid 108 and name HD22))
2.368 0.701 0.701 peak 2744 weight 1.00000E+00 volume 7.31300E+07 ppm1 7.154 ppm2 1.180
ASSI { 2568}
(( segid " A" and resid 128 and name HN ))
( segid " A" and resid 109 and name HB# )
2.363 0.698 0.698 peak 2568 weight 1.00000E+00 volume 1.53200E+08 ppm1 7.341 ppm2 1.479
ASSI { 2891}
( segid " A" and resid 128 and name HG2#)
( segid " A" and resid 109 and name HB# )
2.007 0.503 0.503 peak 2891 weight 1.00000E+00 volume 5.13602E+06 ppm1 1.198 ppm2 1.494
ASSI { 173}
(( segid " A" and resid 128 and name HN ))
(( segid " A" and resid 110 and name HN ))
3.100 1.201 1.201 peak 173 weight 1.00000E+00 volume 3.00077E+07 ppm1 8.794 ppm2 7.332
ASSI { 619}
(( segid " A" and resid 128 and name HN ))
(( segid " A" and resid 127 and name HB2 ))
3.232 1.306 1.306 peak 619 weight 1.00000E+00 volume 2.33588E+07 ppm1 7.336 ppm2 2.474
ASSI { 2565}
(( segid " A" and resid 128 and name HN ))
(( segid " A" and resid 127 and name HA ))
2.777 0.964 0.964 peak 2565 weight 1.00000E+00 volume 5.80700E+07 ppm1 7.342 ppm2 4.551
ASSI { 404}
(( segid " A" and resid 128 and name HN ))
(( segid " A" and resid 127 and name HN ))
2.444 0.747 0.747 peak 404 weight 1.00000E+00 volume 1.25047E+08 ppm1 8.077 ppm2 7.333
ASSI { 2882}
( segid " A" and resid 128 and name HG2#)
(( segid " A" and resid 128 and name HB ))
2.143 0.574 0.574 peak 2882 weight 1.00000E+00 volume 4.24961E+06 ppm1 3.584 ppm2 1.200
ASSI { 2897}
(( segid " A" and resid 128 and name HA ))
( segid " A" and resid 128 and name HG2#)
2.107 0.555 0.555 peak 2897 weight 1.00000E+00 volume 6.39054E+06 ppm1 1.197 ppm2 4.445
ASSI { 884}
(( segid " A" and resid 128 and name HA ))
(( segid " A" and resid 128 and name HN ))
3.195 1.276 1.276 peak 884 weight 1.00000E+00 volume 2.50275E+07 ppm1 7.342 ppm2 4.441
ASSI { 885}
(( segid " A" and resid 128 and name HN ))
(( segid " A" and resid 128 and name HB ))
2.552 0.814 0.814 peak 885 weight 1.00000E+00 volume 7.49550E+07 ppm1 7.341 ppm2 3.564
ASSI { 2835}
( segid " A" and resid 128 and name HG2#)
(( segid " A" and resid 129 and name HN ))
2.270 0.644 0.644 peak 2835 weight 1.00000E+00 volume 1.45900E+08 ppm1 8.822 ppm2 1.181
ASSI { 407}
(( segid " A" and resid 128 and name HN ))
(( segid " A" and resid 129 and name HN ))
2.943 1.082 1.082 peak 407 weight 1.00000E+00 volume 4.10360E+07 ppm1 7.338 ppm2 8.812
ASSI { 609}
(( segid " A" and resid 128 and name HB ))
(( segid " A" and resid 129 and name HN ))
3.268 1.335 1.335 peak 609 weight 1.00000E+00 volume 2.18798E+07 ppm1 8.819 ppm2 3.572
ASSI { 610}
(( segid " A" and resid 128 and name HA ))
(( segid " A" and resid 129 and name HN ))
2.324 0.675 0.675 peak 610 weight 1.00000E+00 volume 1.69244E+08 ppm1 8.822 ppm2 4.434
ASSI { 887}
(( segid " A" and resid 128 and name HN ))
(( segid " A" and resid 129 and name HA ))
3.625 1.642 1.642 peak 887 weight 1.00000E+00 volume 1.17486E+07 ppm1 7.340 ppm2 3.747
ASSI { 4086}
(( segid " A" and resid 129 and name HA ))
(( segid " A" and resid 41 and name HB1 ))
2.494 0.777 0.777 peak 4086 weight 1.00000E+00 volume 2.32700E+06 ppm1 3.767 ppm2 1.581
ASSI { 4091}
( segid " A" and resid 129 and name HG2#)
(( segid " A" and resid 41 and name HB2 ))
2.270 0.644 0.644 peak 4091 weight 1.00000E+00 volume 4.08800E+06 ppm1 -0.085 ppm2 1.572
ASSI { 2456}
( segid " A" and resid 129 and name HG2#)
(( segid " A" and resid 42 and name HN ))
3.645 1.661 1.661 peak 2456 weight 1.00000E+00 volume 1.13600E+07 ppm1 7.055 ppm2 -0.104
ASSI { 2921}
( segid " A" and resid 129 and name HG2#)
(( segid " A" and resid 45 and name HA ))
2.470 0.763 0.763 peak 2921 weight 1.00000E+00 volume 2.46570E+06 ppm1 -0.086 ppm2 4.052
ASSI { 952}
( segid " A" and resid 129 and name HG2#)
( segid " A" and resid 45 and name HB# )
2.279 0.649 0.649 peak 952 weight 1.00000E+00 volume 3.30956E+06 ppm1 1.351 ppm2 -0.095
ASSI { 3668}
( segid " A" and resid 129 and name HG2#)
(( segid " A" and resid 46 and name HA ))
2.440 0.744 0.744 peak 3668 weight 1.00000E+00 volume 2.65300E+06 ppm1 4.066 ppm2 -0.074
ASSI { 2480}
( segid " A" and resid 129 and name HG2#)
(( segid " A" and resid 46 and name HN ))
2.932 1.075 1.075 peak 2480 weight 1.00000E+00 volume 4.19200E+07 ppm1 7.926 ppm2 -0.106
ASSI { 2937}
( segid " A" and resid 129 and name HG1#)
(( segid " A" and resid 49 and name HA ))
2.678 0.897 0.897 peak 2937 weight 1.00000E+00 volume 1.51622E+06 ppm1 0.779 ppm2 4.532
ASSI { 1054}
( segid " A" and resid 129 and name HG2#)
( segid " A" and resid 49 and name HD1#)
2.304 0.664 0.664 peak 1054 weight 1.00000E+00 volume 3.34273E+06 ppm1 1.022 ppm2 -0.087
ASSI { 2490}
( segid " A" and resid 129 and name HG2#)
(( segid " A" and resid 49 and name HN ))
3.627 1.644 1.644 peak 2490 weight 1.00000E+00 volume 1.17100E+07 ppm1 7.378 ppm2 -0.106
ASSI { 1295}
(( segid " A" and resid 129 and name HB ))
(( segid " A" and resid 53 and name HN ))
3.141 1.233 1.233 peak 1295 weight 1.00000E+00 volume 2.77425E+07 ppm1 8.086 ppm2 1.753
ASSI { 2922}
( segid " A" and resid 129 and name HG2#)
(( segid " A" and resid 128 and name HA ))
2.872 1.031 1.031 peak 2922 weight 1.00000E+00 volume 9.96677E+05 ppm1 -0.089 ppm2 4.440
ASSI { 63}
( segid " A" and resid 129 and name HG1#)
( segid " A" and resid 129 and name HG2#)
2.008 0.504 0.504 peak 63 weight 1.00000E+00 volume 8.53517E+06 ppm1 0.778 ppm2 -0.093
ASSI { 2913}
( segid " A" and resid 129 and name HG1#)
(( segid " A" and resid 129 and name HB ))
1.878 0.441 0.441 peak 2913 weight 1.00000E+00 volume 6.80844E+06 ppm1 1.771 ppm2 0.795
ASSI { 2914}
( segid " A" and resid 129 and name HG2#)
(( segid " A" and resid 129 and name HB ))
2.224 0.618 0.618 peak 2914 weight 1.00000E+00 volume 2.70443E+06 ppm1 1.767 ppm2 -0.085
ASSI { 2906}
( segid " A" and resid 129 and name HG2#)
(( segid " A" and resid 129 and name HA ))
2.398 0.719 0.719 peak 2906 weight 1.00000E+00 volume 2.94650E+06 ppm1 3.770 ppm2 -0.093
ASSI { 2944}
( segid " A" and resid 129 and name HG1#)
(( segid " A" and resid 129 and name HN ))
2.669 0.891 0.891 peak 2944 weight 1.00000E+00 volume 1.54806E+06 ppm1 0.780 ppm2 8.760
ASSI { 4085}
(( segid " A" and resid 129 and name HA ))
(( segid " A" and resid 129 and name HB ))
2.372 0.703 0.703 peak 4085 weight 1.00000E+00 volume 3.14400E+06 ppm1 3.770 ppm2 1.764
ASSI { 2934}
( segid " A" and resid 129 and name HG1#)
(( segid " A" and resid 129 and name HA ))
2.208 0.609 0.609 peak 2934 weight 1.00000E+00 volume 4.83364E+06 ppm1 0.779 ppm2 3.773
ASSI { 886}
(( segid " A" and resid 129 and name HN ))
(( segid " A" and resid 129 and name HA ))
2.836 1.005 1.005 peak 886 weight 1.00000E+00 volume 5.12341E+07 ppm1 8.822 ppm2 3.749
ASSI { 1468}
(( segid " A" and resid 129 and name HN ))
(( segid " A" and resid 129 and name HB ))
2.359 0.696 0.696 peak 1468 weight 1.00000E+00 volume 6.53757E+07 ppm1 8.829 ppm2 1.771
ASSI { 1472}
( segid " A" and resid 129 and name HG2#)
(( segid " A" and resid 129 and name HN ))
2.388 0.713 0.713 peak 1472 weight 1.00000E+00 volume 5.42417E+07 ppm1 8.827 ppm2 -0.101
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