NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
475211 |
2kzj   |
cing | 1-original | 3 | XPLOR/CNS | distance | NOE | ambi |
ASSI { 1549}
(( segid " A" and resid 10 and name HB2 ))
(( segid " A" and resid 7 and name HA ))
3.945 2.225 0.555 peak 1549 weight 1.00000E+00 volume 1.58721E+06 ppm1 1.757 ppm2 3.969
ASSI { 1232}
( segid " A" and resid 11 and name HB# )
(( segid " A" and resid 8 and name HA ))
3.158 1.438 1.342 peak 1232 weight 1.00000E+00 volume 5.61256E+06 ppm1 4.012 ppm2 2.819
ASSI { 1097}
( segid " A" and resid 12 and name HB# )
(( segid " A" and resid 9 and name HA ))
3.797 2.077 0.703 peak 1097 weight 1.00000E+00 volume 5.60865E+06 ppm1 1.414 ppm2 4.155
ASSI { 1547}
(( segid " A" and resid 13 and name HB1 ))
(( segid " A" and resid 10 and name HA ))
3.828 2.108 0.672 peak 1547 weight 1.00000E+00 volume 7.20544E+05 ppm1 3.135 ppm2 3.716
ASSI { 1223}
(( segid " A" and resid 15 and name HB2 ))
(( segid " A" and resid 12 and name HA ))
3.048 1.328 1.312 peak 1223 weight 1.00000E+00 volume 6.85462E+06 ppm1 1.937 ppm2 4.056
ASSI { 1557}
(( segid " A" and resid 16 and name HB ))
(( segid " A" and resid 13 and name HA ))
3.272 1.552 1.228 peak 1557 weight 1.00000E+00 volume 4.59463E+06 ppm1 3.976 ppm2 1.737
ASSI { 1106}
( segid " A" and resid 17 and name HB# )
(( segid " A" and resid 14 and name HA ))
3.932 2.212 0.568 peak 1106 weight 1.00000E+00 volume 1.71576E+06 ppm1 1.151 ppm2 4.252
ASSI { 213}
(( segid " A" and resid 1 and name HA ))
(( segid " A" and resid 1 and name HB ))
3.176 1.456 0.794 peak 213 weight 1.00000E+00 volume 1.31479E+06 ppm1 4.056 ppm2 2.021
ASSI { 214}
( segid " A" and resid 1 and name HG# )
(( segid " A" and resid 1 and name HA ))
3.405 1.685 0.851 peak 214 weight 1.00000E+00 volume 2.65347E+06 ppm1 4.056 ppm2 0.857
ASSI { 210}
( segid " A" and resid 1 and name HG1#)
(( segid " A" and resid 1 and name HA ))
3.734 2.014 0.934 peak 210 weight 1.00000E+00 volume 1.36322E+06 ppm1 0.858 ppm2 4.056
ASSI { 198}
( segid " A" and resid 1 and name HG# )
(( segid " A" and resid 1 and name HB ))
3.126 1.406 0.782 peak 198 weight 1.00000E+00 volume 4.20278E+06 ppm1 2.022 ppm2 0.857
ASSI { 473}
(( segid " A" and resid 1 and name HN ))
(( segid " A" and resid 1 and name HB ))
3.010 1.290 0.753 peak 473 weight 1.00000E+00 volume 6.39955E+05 ppm1 8.066 ppm2 2.022
ASSI { 477}
(( segid " A" and resid 1 and name HN ))
(( segid " A" and resid 1 and name HA ))
3.273 1.553 0.818 peak 477 weight 1.00000E+00 volume 4.39377E+05 ppm1 8.066 ppm2 4.054
ASSI { 478}
( segid " A" and resid 1 and name HG# )
(( segid " A" and resid 1 and name HN ))
3.364 1.644 0.841 peak 478 weight 1.00000E+00 volume 1.19131E+06 ppm1 8.066 ppm2 0.858
ASSI { 211}
( segid " A" and resid 1 and name HG1#)
( segid " A" and resid 4 and name HE# )
5.175 3.455 1.294 peak 211 weight 1.00000E+00 volume 2.12177E+05 ppm1 0.859 ppm2 2.822
ASSI { 220}
( segid " A" and resid 1 and name HG1#)
( segid " A" and resid 5 and name HB# )
5.355 3.635 1.339 peak 220 weight 1.00000E+00 volume 2.00519E+05 ppm1 0.852 ppm2 3.050
ASSI { 1180}
(( segid " A" and resid 1 and name HN ))
( segid " A" and resid 5 and name HB# )
4.934 3.214 1.233 peak 1180 weight 1.00000E+00 volume 8.15061E+04 ppm1 3.058 ppm2 8.068
ASSI { 225}
( segid " A" and resid 1 and name HG2#)
(( segid " A" and resid 5 and name HZ ))
5.563 3.843 1.391 peak 225 weight 1.00000E+00 volume 1.53690E+05 ppm1 0.862 ppm2 7.090
ASSI { 1527}
( segid " A" and resid 1 and name HG# )
( segid " A" and resid 5 and name HE# )
7.143 5.423 0.857 peak 1527 weight 1.00000E+00 volume 6.44281E+04 ppm1 0.858 ppm2 6.707
ASSI { 536}
(( segid " A" and resid 2 and name HN ))
( segid " A" and resid 1 and name HG# )
4.049 2.329 1.012 peak 536 weight 1.00000E+00 volume 4.11081E+05 ppm1 8.270 ppm2 0.858
ASSI { 533}
(( segid " A" and resid 2 and name HN ))
(( segid " A" and resid 1 and name HB ))
3.666 1.946 0.917 peak 533 weight 1.00000E+00 volume 2.13896E+05 ppm1 8.268 ppm2 2.019
ASSI { 532}
(( segid " A" and resid 2 and name HN ))
(( segid " A" and resid 1 and name HA ))
2.965 1.245 0.741 peak 532 weight 1.00000E+00 volume 8.27641E+05 ppm1 8.270 ppm2 4.053
ASSI { 481}
(( segid " A" and resid 2 and name HN ))
(( segid " A" and resid 1 and name HN ))
3.500 1.780 0.875 peak 481 weight 1.00000E+00 volume 2.72377E+05 ppm1 8.066 ppm2 8.264
ASSI { 234}
(( segid " A" and resid 2 and name HA ))
(( segid " A" and resid 2 and name HB2 ))
4.511 2.791 1.128 peak 234 weight 1.00000E+00 volume 1.49754E+05 ppm1 2.690 ppm2 4.586
ASSI { 235}
(( segid " A" and resid 2 and name HA ))
(( segid " A" and resid 2 and name HB1 ))
4.454 2.734 1.114 peak 235 weight 1.00000E+00 volume 1.49666E+05 ppm1 2.626 ppm2 4.584
ASSI { 534}
(( segid " A" and resid 2 and name HN ))
(( segid " A" and resid 2 and name HB2 ))
3.387 1.667 0.847 peak 534 weight 1.00000E+00 volume 3.10696E+05 ppm1 8.270 ppm2 2.688
ASSI { 535}
(( segid " A" and resid 2 and name HN ))
(( segid " A" and resid 2 and name HB1 ))
3.396 1.676 0.849 peak 535 weight 1.00000E+00 volume 3.29967E+05 ppm1 8.270 ppm2 2.624
ASSI { 546}
(( segid " A" and resid 2 and name HN ))
(( segid " A" and resid 2 and name HA ))
3.565 1.845 0.891 peak 546 weight 1.00000E+00 volume 2.29297E+05 ppm1 8.270 ppm2 4.585
ASSI { 696}
(( segid " A" and resid 3 and name HN ))
(( segid " A" and resid 2 and name HA ))
3.951 2.231 0.988 peak 696 weight 1.00000E+00 volume 1.13734E+05 ppm1 8.309 ppm2 4.593
ASSI { 1466}
(( segid " A" and resid 3 and name HD22))
(( segid " A" and resid 3 and name HB2 ))
3.857 2.137 0.964 peak 1466 weight 1.00000E+00 volume 2.78389E+05 ppm1 2.791 ppm2 7.553
ASSI { 1475}
(( segid " A" and resid 3 and name HA ))
( segid " A" and resid 3 and name HB# )
4.203 2.483 1.051 peak 1475 weight 1.00000E+00 volume 1.98924E+05 ppm1 4.610 ppm2 2.797
ASSI { 683}
(( segid " A" and resid 3 and name HD21))
(( segid " A" and resid 3 and name HB2 ))
3.469 1.749 0.867 peak 683 weight 1.00000E+00 volume 2.81714E+05 ppm1 6.830 ppm2 2.794
ASSI { 1464}
(( segid " A" and resid 3 and name HA ))
(( segid " A" and resid 3 and name HB2 ))
4.142 2.422 1.035 peak 1464 weight 1.00000E+00 volume 2.19206E+05 ppm1 2.792 ppm2 4.610
ASSI { 685}
(( segid " A" and resid 3 and name HD22))
(( segid " A" and resid 3 and name HA ))
4.516 2.796 1.129 peak 685 weight 1.00000E+00 volume 5.33822E+04 ppm1 7.557 ppm2 4.605
ASSI { 684}
(( segid " A" and resid 3 and name HD22))
( segid " A" and resid 3 and name HB# )
3.259 1.539 0.815 peak 684 weight 1.00000E+00 volume 3.82248E+05 ppm1 7.558 ppm2 2.794
ASSI { 689}
(( segid " A" and resid 3 and name HD22))
(( segid " A" and resid 3 and name HD21))
2.460 0.740 0.615 peak 689 weight 1.00000E+00 volume 2.03905E+06 ppm1 6.834 ppm2 7.554
ASSI { 697}
(( segid " A" and resid 3 and name HN ))
( segid " A" and resid 3 and name HB# )
3.927 2.207 0.982 peak 697 weight 1.00000E+00 volume 1.01306E+05 ppm1 8.309 ppm2 2.791
ASSI { 686}
(( segid " A" and resid 3 and name HD21))
(( segid " A" and resid 3 and name HA ))
5.165 3.445 1.291 peak 686 weight 1.00000E+00 volume 2.82229E+04 ppm1 6.829 ppm2 4.614
ASSI { 1183}
(( segid " A" and resid 4 and name HG1 ))
(( segid " A" and resid 4 and name HA ))
3.512 1.792 0.878 peak 1183 weight 1.00000E+00 volume 6.51057E+05 ppm1 4.094 ppm2 1.148
ASSI { 1324}
( segid " A" and resid 4 and name HG# )
( segid " A" and resid 4 and name HE# )
3.270 1.550 0.817 peak 1324 weight 1.00000E+00 volume 1.20158E+06 ppm1 2.820 ppm2 1.168
ASSI { 1332}
(( segid " A" and resid 4 and name HA ))
(( segid " A" and resid 4 and name HB1 ))
3.293 1.573 0.823 peak 1332 weight 1.00000E+00 volume 1.48972E+05 ppm1 1.680 ppm2 4.098
ASSI { 1313}
(( segid " A" and resid 4 and name HG1 ))
(( segid " A" and resid 4 and name HB2 ))
4.019 2.299 1.005 peak 1313 weight 1.00000E+00 volume 2.40165E+05 ppm1 1.148 ppm2 1.649
ASSI { 1308}
( segid " A" and resid 4 and name HE# )
(( segid " A" and resid 4 and name HB2 ))
4.061 2.341 1.015 peak 1308 weight 1.00000E+00 volume 4.59734E+04 ppm1 1.645 ppm2 2.817
ASSI { 1309}
( segid " A" and resid 4 and name HE# )
(( segid " A" and resid 4 and name HB1 ))
4.855 3.135 1.214 peak 1309 weight 1.00000E+00 volume 7.15392E+04 ppm1 1.682 ppm2 2.822
ASSI { 1306}
(( segid " A" and resid 4 and name HG2 ))
(( segid " A" and resid 4 and name HA ))
3.579 1.859 0.895 peak 1306 weight 1.00000E+00 volume 1.71163E+05 ppm1 1.183 ppm2 4.095
ASSI { 1316}
(( segid " A" and resid 4 and name HG2 ))
( segid " A" and resid 4 and name HE# )
3.863 2.143 0.966 peak 1316 weight 1.00000E+00 volume 3.24291E+05 ppm1 1.189 ppm2 2.824
ASSI { 1311}
(( segid " A" and resid 4 and name HG1 ))
(( segid " A" and resid 4 and name HD1 ))
3.717 1.997 0.929 peak 1311 weight 1.00000E+00 volume 3.76517E+05 ppm1 1.151 ppm2 1.403
ASSI { 1186}
(( segid " A" and resid 4 and name HA ))
( segid " A" and resid 4 and name HE# )
4.453 2.733 1.113 peak 1186 weight 1.00000E+00 volume 1.67801E+05 ppm1 4.098 ppm2 2.817
ASSI { 1338}
(( segid " A" and resid 4 and name HG2 ))
(( segid " A" and resid 4 and name HB1 ))
4.064 2.344 1.016 peak 1338 weight 1.00000E+00 volume 2.26172E+05 ppm1 1.187 ppm2 1.686
ASSI { 1315}
(( segid " A" and resid 4 and name HG1 ))
( segid " A" and resid 4 and name HE# )
3.808 2.088 0.952 peak 1315 weight 1.00000E+00 volume 3.71091E+05 ppm1 1.148 ppm2 2.820
ASSI { 1321}
( segid " A" and resid 4 and name HE# )
(( segid " A" and resid 4 and name HD1 ))
3.203 1.483 0.801 peak 1321 weight 1.00000E+00 volume 1.44435E+05 ppm1 1.403 ppm2 2.820
ASSI { 1339}
(( segid " A" and resid 4 and name HG1 ))
(( segid " A" and resid 4 and name HB1 ))
3.998 2.278 1.000 peak 1339 weight 1.00000E+00 volume 2.75060E+05 ppm1 1.148 ppm2 1.690
ASSI { 1322}
( segid " A" and resid 4 and name HE# )
(( segid " A" and resid 4 and name HD2 ))
3.229 1.509 0.807 peak 1322 weight 1.00000E+00 volume 2.46640E+05 ppm1 1.452 ppm2 2.817
ASSI { 1184}
(( segid " A" and resid 4 and name HA ))
(( segid " A" and resid 4 and name HB2 ))
3.274 1.554 0.818 peak 1184 weight 1.00000E+00 volume 8.77102E+05 ppm1 4.098 ppm2 1.640
ASSI { 1317}
(( segid " A" and resid 4 and name HB2 ))
(( segid " A" and resid 4 and name HD1 ))
3.470 1.750 0.867 peak 1317 weight 1.00000E+00 volume 1.05473E+06 ppm1 1.401 ppm2 1.666
ASSI { 1312}
(( segid " A" and resid 4 and name HG2 ))
(( segid " A" and resid 4 and name HD1 ))
3.795 2.075 0.949 peak 1312 weight 1.00000E+00 volume 3.52165E+05 ppm1 1.187 ppm2 1.406
ASSI { 1319}
(( segid " A" and resid 4 and name HG2 ))
(( segid " A" and resid 4 and name HD2 ))
3.851 2.131 0.963 peak 1319 weight 1.00000E+00 volume 3.04182E+05 ppm1 1.450 ppm2 1.175
ASSI { 1318}
(( segid " A" and resid 4 and name HB2 ))
(( segid " A" and resid 4 and name HD2 ))
3.388 1.668 0.847 peak 1318 weight 1.00000E+00 volume 1.02564E+06 ppm1 1.448 ppm2 1.666
ASSI { 1335}
(( segid " A" and resid 4 and name HG1 ))
(( segid " A" and resid 4 and name HD2 ))
3.830 2.110 0.958 peak 1335 weight 1.00000E+00 volume 3.28178E+05 ppm1 1.151 ppm2 1.450
ASSI { 1310}
(( segid " A" and resid 4 and name HA ))
(( segid " A" and resid 4 and name HD1 ))
4.230 2.510 1.057 peak 1310 weight 1.00000E+00 volume 1.39907E+05 ppm1 4.098 ppm2 1.406
ASSI { 1314}
(( segid " A" and resid 4 and name HG2 ))
(( segid " A" and resid 4 and name HB2 ))
4.072 2.352 1.018 peak 1314 weight 1.00000E+00 volume 2.22416E+05 ppm1 1.189 ppm2 1.642
ASSI { 1337}
(( segid " A" and resid 4 and name HA ))
(( segid " A" and resid 4 and name HD2 ))
4.357 2.637 1.089 peak 1337 weight 1.00000E+00 volume 1.00880E+05 ppm1 4.097 ppm2 1.450
ASSI { 1330}
( segid " A" and resid 4 and name HE# )
( segid " A" and resid 5 and name HD# )
5.849 4.129 1.462 peak 1330 weight 1.00000E+00 volume 6.61801E+04 ppm1 2.820 ppm2 7.163
ASSI { 1534}
( segid " A" and resid 4 and name HG# )
( segid " A" and resid 5 and name HE# )
6.286 4.566 1.571 peak 1534 weight 1.00000E+00 volume 3.43869E+04 ppm1 1.158 ppm2 6.681
ASSI { 1331}
( segid " A" and resid 4 and name HE# )
(( segid " A" and resid 5 and name HZ ))
5.115 3.395 1.279 peak 1331 weight 1.00000E+00 volume 4.79603E+04 ppm1 2.818 ppm2 7.090
ASSI { 1305}
( segid " A" and resid 4 and name HE# )
( segid " A" and resid 5 and name HE# )
5.361 3.641 1.340 peak 1305 weight 1.00000E+00 volume 1.27269E+05 ppm1 2.818 ppm2 6.684
ASSI { 1522}
( segid " A" and resid 5 and name HE# )
( segid " A" and resid 4 and name HB# )
6.387 4.667 1.597 peak 1522 weight 1.00000E+00 volume 3.64943E+04 ppm1 1.645 ppm2 6.680
ASSI { 1131}
(( segid " A" and resid 5 and name HB2 ))
(( segid " A" and resid 5 and name HN ))
4.565 2.845 1.141 peak 1131 weight 1.00000E+00 volume 1.02299E+05 ppm1 3.066 ppm2 7.843
ASSI { 782}
( segid " A" and resid 5 and name HB# )
(( segid " A" and resid 5 and name HA ))
3.833 2.113 0.958 peak 782 weight 1.00000E+00 volume 2.99974E+05 ppm1 4.119 ppm2 3.063
ASSI { 1181}
(( segid " A" and resid 5 and name HA ))
(( segid " A" and resid 5 and name HN ))
4.511 2.791 1.128 peak 1181 weight 1.00000E+00 volume 8.89366E+04 ppm1 4.124 ppm2 7.842
ASSI { 1130}
( segid " A" and resid 5 and name HB# )
( segid " A" and resid 5 and name HD# )
5.054 3.334 1.263 peak 1130 weight 1.00000E+00 volume 1.02428E+05 ppm1 3.058 ppm2 7.160
ASSI { 1526}
(( segid " A" and resid 6 and name HD22))
( segid " A" and resid 1 and name HG# )
5.970 4.250 1.493 peak 1526 weight 1.00000E+00 volume 6.96016E+04 ppm1 0.856 ppm2 6.907
ASSI { 1444}
(( segid " A" and resid 6 and name HB1 ))
(( segid " A" and resid 6 and name HB2 ))
3.793 2.073 0.948 peak 1444 weight 1.00000E+00 volume 2.89132E+05 ppm1 3.061 ppm2 2.825
ASSI { 1443}
(( segid " A" and resid 6 and name HB2 ))
(( segid " A" and resid 6 and name HA ))
4.981 3.261 1.245 peak 1443 weight 1.00000E+00 volume 7.77562E+04 ppm1 4.511 ppm2 3.070
ASSI { 1442}
(( segid " A" and resid 6 and name HB1 ))
(( segid " A" and resid 6 and name HA ))
4.724 3.004 1.181 peak 1442 weight 1.00000E+00 volume 7.41111E+04 ppm1 4.511 ppm2 2.829
ASSI { 656}
(( segid " A" and resid 6 and name HD22))
(( segid " A" and resid 6 and name HA ))
4.760 3.040 1.190 peak 656 weight 1.00000E+00 volume 2.94705E+04 ppm1 6.913 ppm2 4.529
ASSI { 657}
(( segid " A" and resid 6 and name HD22))
(( segid " A" and resid 6 and name HD21))
3.165 1.445 0.791 peak 657 weight 1.00000E+00 volume 3.81270E+05 ppm1 6.904 ppm2 7.583
ASSI { 653}
(( segid " A" and resid 6 and name HD22))
(( segid " A" and resid 6 and name HB1 ))
4.264 2.544 1.066 peak 653 weight 1.00000E+00 volume 5.78888E+04 ppm1 6.904 ppm2 2.864
ASSI { 698}
(( segid " A" and resid 6 and name HD21))
(( segid " A" and resid 6 and name HB2 ))
5.012 3.292 1.253 peak 698 weight 1.00000E+00 volume 2.25536E+04 ppm1 7.583 ppm2 3.077
ASSI { 651}
(( segid " A" and resid 6 and name HD22))
(( segid " A" and resid 6 and name HB2 ))
4.579 2.859 1.145 peak 651 weight 1.00000E+00 volume 3.69734E+04 ppm1 6.907 ppm2 3.093
ASSI { 655}
(( segid " A" and resid 6 and name HD21))
(( segid " A" and resid 6 and name HA ))
5.078 3.358 1.269 peak 655 weight 1.00000E+00 volume 2.55232E+04 ppm1 7.584 ppm2 4.529
ASSI { 654}
(( segid " A" and resid 6 and name HD21))
(( segid " A" and resid 6 and name HB1 ))
4.352 2.632 1.088 peak 654 weight 1.00000E+00 volume 4.50749E+04 ppm1 7.581 ppm2 2.870
ASSI { 1128}
(( segid " A" and resid 6 and name HB2 ))
(( segid " A" and resid 7 and name HA ))
4.791 3.071 1.198 peak 1128 weight 1.00000E+00 volume 8.05769E+04 ppm1 3.058 ppm2 3.949
ASSI { 1173}
(( segid " A" and resid 6 and name HD22))
( segid " A" and resid 9 and name HE# )
5.922 4.202 1.480 peak 1173 weight 1.00000E+00 volume 7.89939E+04 ppm1 1.671 ppm2 6.906
ASSI { 1446}
(( segid " A" and resid 6 and name HB1 ))
( segid " A" and resid 9 and name HE# )
5.527 3.807 1.382 peak 1446 weight 1.00000E+00 volume 6.35775E+04 ppm1 2.837 ppm2 1.679
ASSI { 1441}
(( segid " A" and resid 6 and name HA ))
( segid " A" and resid 9 and name HE# )
6.569 4.849 1.431 peak 1441 weight 1.00000E+00 volume 3.88072E+04 ppm1 4.499 ppm2 1.679
ASSI { 1447}
(( segid " A" and resid 6 and name HB2 ))
( segid " A" and resid 9 and name HE# )
5.613 3.893 1.403 peak 1447 weight 1.00000E+00 volume 6.72444E+04 ppm1 3.057 ppm2 1.675
ASSI { 1376}
(( segid " A" and resid 7 and name HG2 ))
(( segid " A" and resid 7 and name HA ))
3.307 1.587 0.827 peak 1376 weight 1.00000E+00 volume 2.88359E+05 ppm1 1.664 ppm2 3.951
ASSI { 1369}
( segid " A" and resid 7 and name HE# )
(( segid " A" and resid 7 and name HG2 ))
2.894 1.174 0.724 peak 1369 weight 1.00000E+00 volume 1.02015E+06 ppm1 1.665 ppm2 3.127
ASSI { 1375}
(( segid " A" and resid 7 and name HG1 ))
(( segid " A" and resid 7 and name HA ))
3.702 1.982 0.926 peak 1375 weight 1.00000E+00 volume 2.78147E+05 ppm1 1.599 ppm2 3.955
ASSI { 1382}
(( segid " A" and resid 7 and name HD2 ))
(( segid " A" and resid 7 and name HG2 ))
3.041 1.321 0.760 peak 1382 weight 1.00000E+00 volume 8.78477E+05 ppm1 1.677 ppm2 1.842
ASSI { 1204}
( segid " A" and resid 7 and name HE# )
(( segid " A" and resid 7 and name HA ))
3.639 1.919 0.910 peak 1204 weight 1.00000E+00 volume 5.27750E+05 ppm1 3.128 ppm2 3.949
ASSI { 1381}
(( segid " A" and resid 7 and name HD1 ))
(( segid " A" and resid 7 and name HG2 ))
3.134 1.414 0.783 peak 1381 weight 1.00000E+00 volume 8.74314E+05 ppm1 1.670 ppm2 1.896
ASSI { 1380}
(( segid " A" and resid 7 and name HD1 ))
(( segid " A" and resid 7 and name HG1 ))
3.261 1.541 0.815 peak 1380 weight 1.00000E+00 volume 9.03789E+05 ppm1 1.598 ppm2 1.900
ASSI { 1207}
( segid " A" and resid 7 and name HE# )
(( segid " A" and resid 7 and name HG1 ))
2.824 1.104 0.706 peak 1207 weight 1.00000E+00 volume 2.21487E+06 ppm1 3.131 ppm2 1.601
ASSI { 1379}
(( segid " A" and resid 7 and name HD2 ))
(( segid " A" and resid 7 and name HG1 ))
3.267 1.547 0.817 peak 1379 weight 1.00000E+00 volume 7.65521E+05 ppm1 1.598 ppm2 1.838
ASSI { 1373}
(( segid " A" and resid 7 and name HD2 ))
(( segid " A" and resid 7 and name HA ))
3.575 1.855 0.894 peak 1373 weight 1.00000E+00 volume 2.90157E+05 ppm1 1.839 ppm2 3.955
ASSI { 1372}
(( segid " A" and resid 7 and name HD2 ))
( segid " A" and resid 7 and name HE# )
4.076 2.356 1.019 peak 1372 weight 1.00000E+00 volume 2.31876E+05 ppm1 1.834 ppm2 3.124
ASSI { 1205}
(( segid " A" and resid 7 and name HD1 ))
( segid " A" and resid 7 and name HE# )
3.398 1.678 0.849 peak 1205 weight 1.00000E+00 volume 7.64710E+05 ppm1 3.129 ppm2 1.896
ASSI { 1391}
(( segid " A" and resid 7 and name HD1 ))
(( segid " A" and resid 7 and name HA ))
3.314 1.594 0.828 peak 1391 weight 1.00000E+00 volume 6.25861E+05 ppm1 3.945 ppm2 1.896
ASSI { 1549}
(( segid " A" and resid 7 and name HA ))
(( segid " A" and resid 10 and name HB2 ))
4.653 2.933 1.163 peak 1549 weight 1.00000E+00 volume 9.80383E+04 ppm1 1.757 ppm2 3.969
ASSI { 1437}
(( segid " A" and resid 8 and name HG1 ))
(( segid " A" and resid 8 and name HB1 ))
3.300 1.580 0.825 peak 1437 weight 1.00000E+00 volume 8.04846E+05 ppm1 2.275 ppm2 2.059
ASSI { 1220}
(( segid " A" and resid 8 and name HA ))
(( segid " A" and resid 8 and name HB2 ))
3.659 1.939 0.915 peak 1220 weight 1.00000E+00 volume 4.11458E+05 ppm1 1.959 ppm2 4.026
ASSI { 1211}
(( segid " A" and resid 8 and name HB1 ))
(( segid " A" and resid 8 and name HB2 ))
2.323 0.603 0.581 peak 1211 weight 1.00000E+00 volume 7.27631E+06 ppm1 1.954 ppm2 2.066
ASSI { 1424}
(( segid " A" and resid 8 and name HA ))
(( segid " A" and resid 8 and name HG1 ))
3.743 2.023 0.936 peak 1424 weight 1.00000E+00 volume 4.12894E+05 ppm1 2.274 ppm2 4.014
ASSI { 1423}
(( segid " A" and resid 8 and name HA ))
(( segid " A" and resid 8 and name HG2 ))
3.590 1.870 0.897 peak 1423 weight 1.00000E+00 volume 5.23423E+05 ppm1 2.321 ppm2 4.020
ASSI { 1436}
(( segid " A" and resid 8 and name HG1 ))
(( segid " A" and resid 8 and name HB2 ))
3.298 1.578 0.824 peak 1436 weight 1.00000E+00 volume 8.45692E+05 ppm1 2.267 ppm2 1.958
ASSI { 1219}
(( segid " A" and resid 8 and name HA ))
(( segid " A" and resid 8 and name HB1 ))
3.691 1.971 0.923 peak 1219 weight 1.00000E+00 volume 3.82289E+05 ppm1 2.064 ppm2 4.026
ASSI { 1166}
( segid " A" and resid 9 and name HE# )
( segid " A" and resid 4 and name HE# )
5.681 3.961 1.420 peak 1166 weight 1.00000E+00 volume 1.05065E+05 ppm1 1.673 ppm2 2.819
ASSI { 1133}
( segid " A" and resid 9 and name HE# )
(( segid " A" and resid 5 and name HA ))
4.630 2.910 1.157 peak 1133 weight 1.00000E+00 volume 2.28492E+05 ppm1 4.117 ppm2 1.676
ASSI { 1174}
( segid " A" and resid 9 and name HE# )
( segid " A" and resid 5 and name HE# )
6.179 4.459 1.545 peak 1174 weight 1.00000E+00 volume 1.49737E+05 ppm1 1.673 ppm2 6.674
ASSI { 1165}
( segid " A" and resid 9 and name HE# )
(( segid " A" and resid 5 and name HB2 ))
5.677 3.957 1.419 peak 1165 weight 1.00000E+00 volume 1.09381E+05 ppm1 1.673 ppm2 3.072
ASSI { 1175}
( segid " A" and resid 9 and name HE# )
( segid " A" and resid 5 and name HD# )
6.129 4.409 1.532 peak 1175 weight 1.00000E+00 volume 1.27640E+05 ppm1 1.674 ppm2 7.173
ASSI { 1172}
( segid " A" and resid 9 and name HE# )
(( segid " A" and resid 5 and name HZ ))
5.326 3.606 1.331 peak 1172 weight 1.00000E+00 volume 1.67118E+05 ppm1 1.674 ppm2 7.090
ASSI { 1177}
( segid " A" and resid 9 and name HE# )
(( segid " A" and resid 5 and name HN ))
6.435 4.715 1.565 peak 1177 weight 1.00000E+00 volume 5.88532E+04 ppm1 1.672 ppm2 7.842
ASSI { 1507}
(( segid " A" and resid 9 and name HG1 ))
(( segid " A" and resid 9 and name HA ))
4.803 3.083 1.201 peak 1507 weight 1.00000E+00 volume 9.17115E+04 ppm1 2.497 ppm2 4.139
ASSI { 1164}
( segid " A" and resid 9 and name HE# )
(( segid " A" and resid 9 and name HB1 ))
4.143 2.423 1.036 peak 1164 weight 1.00000E+00 volume 7.54090E+05 ppm1 1.674 ppm2 1.922
ASSI { 1451}
(( segid " A" and resid 9 and name HG1 ))
(( segid " A" and resid 9 and name HG2 ))
3.615 1.895 0.904 peak 1451 weight 1.00000E+00 volume 3.63510E+05 ppm1 2.364 ppm2 2.491
ASSI { 1456}
(( segid " A" and resid 9 and name HG1 ))
(( segid " A" and resid 9 and name HB1 ))
3.852 2.132 0.963 peak 1456 weight 1.00000E+00 volume 3.02301E+05 ppm1 2.491 ppm2 1.920
ASSI { 1455}
(( segid " A" and resid 9 and name HG2 ))
(( segid " A" and resid 9 and name HB1 ))
3.986 2.266 0.997 peak 1455 weight 1.00000E+00 volume 1.56888E+05 ppm1 2.368 ppm2 1.916
ASSI { 1457}
(( segid " A" and resid 9 and name HA ))
(( segid " A" and resid 9 and name HB1 ))
3.735 2.015 0.934 peak 1457 weight 1.00000E+00 volume 3.47944E+05 ppm1 1.911 ppm2 4.161
ASSI { 1167}
( segid " A" and resid 9 and name HE# )
(( segid " A" and resid 9 and name HG1 ))
4.451 2.731 1.113 peak 1167 weight 1.00000E+00 volume 5.08574E+05 ppm1 1.674 ppm2 2.490
ASSI { 1168}
( segid " A" and resid 9 and name HE# )
(( segid " A" and resid 9 and name HG2 ))
4.810 3.090 1.202 peak 1168 weight 1.00000E+00 volume 3.11486E+05 ppm1 1.673 ppm2 2.367
ASSI { 1163}
( segid " A" and resid 9 and name HE# )
(( segid " A" and resid 38 and name HG1 ))
4.687 2.967 1.172 peak 1163 weight 1.00000E+00 volume 3.64954E+05 ppm1 1.674 ppm2 2.045
ASSI { 1537}
(( segid " A" and resid 10 and name HA ))
(( segid " A" and resid 10 and name HB1 ))
4.949 3.229 1.237 peak 1537 weight 1.00000E+00 volume 6.56985E+04 ppm1 1.833 ppm2 3.723
ASSI { 1536}
(( segid " A" and resid 10 and name HA ))
(( segid " A" and resid 10 and name HB2 ))
4.651 2.931 1.163 peak 1536 weight 1.00000E+00 volume 8.22598E+04 ppm1 1.759 ppm2 3.722
ASSI { 1232}
( segid " A" and resid 11 and name HB# )
(( segid " A" and resid 8 and name HA ))
3.770 2.050 0.942 peak 1232 weight 1.00000E+00 volume 3.66143E+05 ppm1 4.012 ppm2 2.819
ASSI { 700}
(( segid " A" and resid 11 and name HD21))
( segid " A" and resid 11 and name HB# )
3.626 1.906 0.907 peak 700 weight 1.00000E+00 volume 1.21995E+05 ppm1 6.970 ppm2 2.838
ASSI { 701}
(( segid " A" and resid 11 and name HD22))
( segid " A" and resid 11 and name HB# )
3.639 1.919 0.910 peak 701 weight 1.00000E+00 volume 8.52361E+04 ppm1 7.661 ppm2 2.838
ASSI { 1097}
( segid " A" and resid 12 and name HB# )
(( segid " A" and resid 9 and name HA ))
4.486 2.766 1.122 peak 1097 weight 1.00000E+00 volume 2.32338E+05 ppm1 1.414 ppm2 4.155
ASSI { 1098}
( segid " A" and resid 12 and name HB# )
(( segid " A" and resid 12 and name HA ))
3.393 1.673 0.848 peak 1098 weight 1.00000E+00 volume 1.74017E+06 ppm1 4.055 ppm2 1.417
ASSI { 329}
( segid " A" and resid 12 and name HB# )
(( segid " A" and resid 12 and name HA ))
3.621 1.901 0.905 peak 329 weight 1.00000E+00 volume 1.39652E+06 ppm1 1.415 ppm2 4.059
OR { 329}
(( segid " A" and resid 42 and name HA ))
( segid " A" and resid 12 and name HB# )
ASSI { 1223}
(( segid " A" and resid 12 and name HA ))
(( segid " A" and resid 15 and name HB2 ))
3.646 1.926 0.912 peak 1223 weight 1.00000E+00 volume 3.98022E+05 ppm1 1.937 ppm2 4.056
ASSI { 1546}
(( segid " A" and resid 13 and name HB2 ))
(( segid " A" and resid 10 and name HA ))
4.619 2.899 1.155 peak 1546 weight 1.00000E+00 volume 1.19690E+05 ppm1 2.995 ppm2 3.720
ASSI { 1547}
(( segid " A" and resid 13 and name HB1 ))
(( segid " A" and resid 10 and name HA ))
5.307 3.587 1.327 peak 1547 weight 1.00000E+00 volume 2.92680E+04 ppm1 3.135 ppm2 3.716
ASSI { 1543}
(( segid " A" and resid 13 and name HB1 ))
( segid " A" and resid 13 and name HD# )
7.366 5.646 0.634 peak 1543 weight 1.00000E+00 volume 2.26635E+04 ppm1 3.132 ppm2 6.664
ASSI { 1495}
(( segid " A" and resid 13 and name HB1 ))
(( segid " A" and resid 13 and name HB2 ))
3.394 1.674 0.848 peak 1495 weight 1.00000E+00 volume 1.61504E+05 ppm1 2.995 ppm2 3.178
ASSI { 1558}
(( segid " A" and resid 13 and name HB2 ))
(( segid " A" and resid 13 and name HA ))
4.715 2.995 1.179 peak 1558 weight 1.00000E+00 volume 4.96837E+04 ppm1 3.980 ppm2 2.994
ASSI { 1542}
(( segid " A" and resid 13 and name HB2 ))
( segid " A" and resid 13 and name HD# )
7.090 5.370 0.910 peak 1542 weight 1.00000E+00 volume 3.39821E+04 ppm1 2.987 ppm2 6.674
ASSI { 1115}
(( segid " A" and resid 14 and name HA ))
(( segid " A" and resid 14 and name HB1 ))
4.332 2.612 1.083 peak 1115 weight 1.00000E+00 volume 1.53895E+05 ppm1 4.243 ppm2 3.231
ASSI { 1114}
(( segid " A" and resid 14 and name HA ))
(( segid " A" and resid 14 and name HB2 ))
4.198 2.478 1.050 peak 1114 weight 1.00000E+00 volume 1.63716E+05 ppm1 4.248 ppm2 3.342
ASSI { 1118}
(( segid " A" and resid 14 and name HA ))
(( segid " A" and resid 14 and name HE3 ))
4.203 2.483 1.051 peak 1118 weight 1.00000E+00 volume 1.96389E+05 ppm1 4.253 ppm2 7.440
ASSI { 1478}
(( segid " A" and resid 14 and name HB1 ))
(( segid " A" and resid 14 and name HB2 ))
5.302 3.582 1.326 peak 1478 weight 1.00000E+00 volume 4.71376E+04 ppm1 3.341 ppm2 3.229
ASSI { 1221}
(( segid " A" and resid 15 and name HA ))
(( segid " A" and resid 15 and name HB1 ))
4.053 2.333 1.013 peak 1221 weight 1.00000E+00 volume 2.09265E+05 ppm1 2.051 ppm2 3.862
ASSI { 1269}
(( segid " A" and resid 15 and name HG2 ))
(( segid " A" and resid 15 and name HN ))
4.167 2.447 1.042 peak 1269 weight 1.00000E+00 volume 1.91186E+05 ppm1 2.330 ppm2 8.162
OR { 1269}
(( segid " A" and resid 15 and name HN ))
(( segid " A" and resid 15 and name HG1 ))
ASSI { 1261}
(( segid " A" and resid 15 and name HA ))
(( segid " A" and resid 15 and name HN ))
4.389 2.669 1.097 peak 1261 weight 1.00000E+00 volume 1.56303E+05 ppm1 3.858 ppm2 8.145
ASSI { 1222}
(( segid " A" and resid 15 and name HA ))
(( segid " A" and resid 15 and name HB2 ))
3.796 2.076 0.949 peak 1222 weight 1.00000E+00 volume 3.55081E+05 ppm1 1.932 ppm2 3.861
ASSI { 1255}
(( segid " A" and resid 15 and name HA ))
( segid " A" and resid 15 and name HG# )
4.044 2.324 1.011 peak 1255 weight 1.00000E+00 volume 1.95999E+05 ppm1 3.853 ppm2 2.330
ASSI { 1262}
(( segid " A" and resid 15 and name HB1 ))
(( segid " A" and resid 15 and name HN ))
4.162 2.442 1.040 peak 1262 weight 1.00000E+00 volume 1.75344E+05 ppm1 2.053 ppm2 8.158
ASSI { 1266}
(( segid " A" and resid 15 and name HB2 ))
( segid " A" and resid 15 and name HG# )
3.232 1.512 0.808 peak 1266 weight 1.00000E+00 volume 9.37221E+05 ppm1 2.328 ppm2 1.929
ASSI { 1267}
(( segid " A" and resid 15 and name HB1 ))
( segid " A" and resid 15 and name HG# )
3.044 1.324 0.761 peak 1267 weight 1.00000E+00 volume 1.28698E+06 ppm1 2.330 ppm2 2.054
ASSI { 328}
( segid " A" and resid 16 and name HD1#)
( segid " A" and resid 12 and name HB# )
5.675 3.955 1.419 peak 328 weight 1.00000E+00 volume 3.71932E+05 ppm1 1.415 ppm2 0.471
ASSI { 1127}
( segid " A" and resid 16 and name HD1#)
(( segid " A" and resid 12 and name HA ))
5.637 3.917 1.409 peak 1127 weight 1.00000E+00 volume 1.12075E+05 ppm1 0.469 ppm2 4.052
ASSI { 1557}
(( segid " A" and resid 16 and name HB ))
(( segid " A" and resid 13 and name HA ))
3.898 2.178 0.974 peak 1557 weight 1.00000E+00 volume 1.57898E+05 ppm1 3.976 ppm2 1.737
ASSI { 1120}
( segid " A" and resid 16 and name HD1#)
(( segid " A" and resid 16 and name HB ))
3.853 2.133 0.963 peak 1120 weight 1.00000E+00 volume 1.04018E+06 ppm1 0.470 ppm2 1.739
ASSI { 356}
( segid " A" and resid 16 and name HD1#)
(( segid " A" and resid 16 and name HA ))
4.592 2.872 1.148 peak 356 weight 1.00000E+00 volume 4.02616E+05 ppm1 0.472 ppm2 3.410
ASSI { 1140}
(( segid " A" and resid 16 and name HA ))
( segid " A" and resid 16 and name HG2#)
5.670 3.950 1.417 peak 1140 weight 1.00000E+00 volume 5.41002E+04 ppm1 0.737 ppm2 3.404
ASSI { 1135}
(( segid " A" and resid 16 and name HA ))
(( segid " A" and resid 16 and name HB ))
4.496 2.776 1.124 peak 1135 weight 1.00000E+00 volume 1.31073E+05 ppm1 3.409 ppm2 1.706
ASSI { 1139}
( segid " A" and resid 16 and name HG2#)
(( segid " A" and resid 16 and name HB ))
4.984 3.264 1.246 peak 1139 weight 1.00000E+00 volume 8.82162E+04 ppm1 0.741 ppm2 1.717
ASSI { 1148}
( segid " A" and resid 16 and name HD1#)
( segid " A" and resid 16 and name HG2#)
4.681 2.961 1.170 peak 1148 weight 1.00000E+00 volume 8.54497E+05 ppm1 0.735 ppm2 0.483
ASSI { 1138}
(( segid " A" and resid 16 and name HA ))
(( segid " A" and resid 19 and name HG ))
4.670 2.950 1.167 peak 1138 weight 1.00000E+00 volume 1.01756E+05 ppm1 3.413 ppm2 2.301
ASSI { 1154}
( segid " A" and resid 16 and name HG2#)
( segid " A" and resid 27 and name HB# )
4.651 2.931 1.163 peak 1154 weight 1.00000E+00 volume 3.02210E+05 ppm1 0.741 ppm2 1.636
ASSI { 908}
( segid " A" and resid 16 and name HD1#)
(( segid " A" and resid 27 and name HA ))
5.740 4.020 1.435 peak 908 weight 1.00000E+00 volume 8.78613E+04 ppm1 3.773 ppm2 0.496
OR { 908}
( segid " A" and resid 31 and name HD1#)
(( segid " A" and resid 27 and name HA ))
ASSI { 1146}
( segid " A" and resid 16 and name HG2#)
(( segid " A" and resid 27 and name HA ))
4.766 3.046 1.192 peak 1146 weight 1.00000E+00 volume 1.76771E+05 ppm1 0.743 ppm2 3.783
ASSI { 939}
( segid " A" and resid 16 and name HD1#)
(( segid " A" and resid 30 and name HA ))
5.544 3.824 1.386 peak 939 weight 1.00000E+00 volume 1.09311E+05 ppm1 4.259 ppm2 0.469
ASSI { 940}
( segid " A" and resid 16 and name HG2#)
(( segid " A" and resid 30 and name HA ))
5.089 3.369 1.272 peak 940 weight 1.00000E+00 volume 2.12638E+05 ppm1 4.258 ppm2 0.738
ASSI { 4}
( segid " A" and resid 16 and name HD1#)
(( segid " A" and resid 30 and name HB1 ))
4.770 3.050 1.192 peak 4 weight 1.00000E+00 volume 3.43486E+05 ppm1 0.472 ppm2 2.912
ASSI { 3}
( segid " A" and resid 16 and name HD1#)
(( segid " A" and resid 30 and name HB2 ))
4.863 3.143 1.216 peak 3 weight 1.00000E+00 volume 2.90363E+05 ppm1 0.472 ppm2 3.023
ASSI { 1237}
( segid " A" and resid 16 and name HD1#)
(( segid " A" and resid 31 and name HG11))
4.162 2.442 1.040 peak 1237 weight 1.00000E+00 volume 6.05150E+05 ppm1 0.470 ppm2 1.605
ASSI { 1123}
( segid " A" and resid 16 and name HD1#)
(( segid " A" and resid 31 and name HN ))
4.649 2.929 1.162 peak 1123 weight 1.00000E+00 volume 3.49818E+05 ppm1 0.472 ppm2 8.332
OR { 1123}
(( segid " A" and resid 45 and name HN ))
( segid " A" and resid 16 and name HD1#)
ASSI { 1238}
( segid " A" and resid 16 and name HD1#)
(( segid " A" and resid 34 and name HG ))
5.465 3.745 1.366 peak 1238 weight 1.00000E+00 volume 1.18814E+05 ppm1 1.545 ppm2 0.469
ASSI { 1000}
( segid " A" and resid 16 and name HD1#)
( segid " A" and resid 34 and name HD# )
3.989 2.269 0.997 peak 1000 weight 1.00000E+00 volume 8.42503E+05 ppm1 0.813 ppm2 0.478
ASSI { 669}
( segid " A" and resid 16 and name HD1#)
( segid " A" and resid 44 and name HD2#)
6.071 4.351 1.518 peak 669 weight 1.00000E+00 volume 2.95495E+05 ppm1 1.041 ppm2 0.461
ASSI { 1132}
( segid " A" and resid 16 and name HD1#)
(( segid " A" and resid 44 and name HA ))
6.008 4.288 1.502 peak 1132 weight 1.00000E+00 volume 7.11904E+04 ppm1 0.470 ppm2 4.119
ASSI { 1530}
( segid " A" and resid 16 and name HD1#)
(( segid " A" and resid 44 and name HB1 ))
6.157 4.437 1.539 peak 1530 weight 1.00000E+00 volume 6.46115E+04 ppm1 1.252 ppm2 0.461
ASSI { 1529}
( segid " A" and resid 16 and name HD1#)
(( segid " A" and resid 44 and name HB2 ))
5.628 3.908 1.407 peak 1529 weight 1.00000E+00 volume 9.02071E+04 ppm1 1.809 ppm2 0.441
ASSI { 568}
( segid " A" and resid 16 and name HD1#)
( segid " A" and resid 45 and name HD1#)
4.325 2.605 1.081 peak 568 weight 1.00000E+00 volume 1.40573E+06 ppm1 0.827 ppm2 0.459
ASSI { 557}
(( segid " A" and resid 16 and name HA ))
( segid " A" and resid 45 and name HD1#)
4.922 3.202 1.230 peak 557 weight 1.00000E+00 volume 2.55971E+05 ppm1 0.825 ppm2 3.404
OR { 557}
(( segid " A" and resid 16 and name HA ))
( segid " A" and resid 45 and name HD2#)
ASSI { 1511}
( segid " A" and resid 17 and name HB# )
( segid " A" and resid 13 and name HE# )
7.117 5.397 0.883 peak 1511 weight 1.00000E+00 volume 4.92053E+04 ppm1 1.149 ppm2 6.836
ASSI { 1106}
( segid " A" and resid 17 and name HB# )
(( segid " A" and resid 14 and name HA ))
4.638 2.918 1.159 peak 1106 weight 1.00000E+00 volume 1.03465E+05 ppm1 1.151 ppm2 4.252
ASSI { 1263}
(( segid " A" and resid 17 and name HN ))
(( segid " A" and resid 15 and name HA ))
4.902 3.182 1.225 peak 1263 weight 1.00000E+00 volume 6.13369E+04 ppm1 3.855 ppm2 8.056
ASSI { 1143}
(( segid " A" and resid 17 and name HN ))
(( segid " A" and resid 16 and name HA ))
4.728 3.008 1.182 peak 1143 weight 1.00000E+00 volume 8.19391E+04 ppm1 3.418 ppm2 8.009
ASSI { 1150}
(( segid " A" and resid 17 and name HN ))
( segid " A" and resid 16 and name HG2#)
5.200 3.480 1.300 peak 1150 weight 1.00000E+00 volume 1.65450E+05 ppm1 0.737 ppm2 7.979
ASSI { 1147}
(( segid " A" and resid 17 and name HA ))
( segid " A" and resid 16 and name HG2#)
6.148 4.428 1.537 peak 1147 weight 1.00000E+00 volume 8.17957E+04 ppm1 0.743 ppm2 3.673
ASSI { 59}
(( segid " A" and resid 17 and name HA ))
( segid " A" and resid 17 and name HB# )
4.380 2.660 1.095 peak 59 weight 1.00000E+00 volume 3.42903E+05 ppm1 1.154 ppm2 3.662
ASSI { 421}
(( segid " A" and resid 17 and name HN ))
(( segid " A" and resid 17 and name HA ))
4.616 2.896 1.154 peak 421 weight 1.00000E+00 volume 2.34363E+04 ppm1 8.002 ppm2 3.667
ASSI { 422}
(( segid " A" and resid 17 and name HN ))
( segid " A" and resid 17 and name HB# )
4.719 2.999 1.180 peak 422 weight 1.00000E+00 volume 6.87974E+04 ppm1 8.002 ppm2 1.161
ASSI { 1107}
( segid " A" and resid 17 and name HB# )
(( segid " A" and resid 31 and name HB ))
5.652 3.932 1.413 peak 1107 weight 1.00000E+00 volume 1.06487E+05 ppm1 1.156 ppm2 1.681
ASSI { 961}
(( segid " A" and resid 17 and name HN ))
( segid " A" and resid 31 and name HD1#)
5.121 3.401 1.280 peak 961 weight 1.00000E+00 volume 1.96373E+05 ppm1 0.522 ppm2 7.997
ASSI { 1260}
(( segid " A" and resid 19 and name HN ))
(( segid " A" and resid 15 and name HA ))
4.506 2.786 1.126 peak 1260 weight 1.00000E+00 volume 1.27569E+05 ppm1 3.858 ppm2 7.398
ASSI { 1500}
(( segid " A" and resid 19 and name HB1 ))
(( segid " A" and resid 16 and name HA ))
6.295 4.575 1.574 peak 1500 weight 1.00000E+00 volume 2.54299E+04 ppm1 1.320 ppm2 3.403
ASSI { 1137}
( segid " A" and resid 19 and name HD1#)
(( segid " A" and resid 16 and name HA ))
4.606 2.886 1.151 peak 1137 weight 1.00000E+00 volume 3.12125E+05 ppm1 3.413 ppm2 0.774
ASSI { 1136}
( segid " A" and resid 19 and name HD2#)
(( segid " A" and resid 16 and name HA ))
4.466 2.746 1.116 peak 1136 weight 1.00000E+00 volume 3.98743E+05 ppm1 3.413 ppm2 0.672
ASSI { 1520}
(( segid " A" and resid 19 and name HN ))
( segid " A" and resid 16 and name HG2#)
6.903 5.183 1.097 peak 1520 weight 1.00000E+00 volume 4.62960E+04 ppm1 0.740 ppm2 7.391
ASSI { 411}
(( segid " A" and resid 19 and name HN ))
(( segid " A" and resid 16 and name HA ))
4.696 2.976 1.174 peak 411 weight 1.00000E+00 volume 5.06342E+04 ppm1 7.368 ppm2 3.412
ASSI { 1109}
(( segid " A" and resid 19 and name HN ))
( segid " A" and resid 17 and name HB# )
4.916 3.196 1.229 peak 1109 weight 1.00000E+00 volume 2.00499E+05 ppm1 1.151 ppm2 7.389
ASSI { 1102}
(( segid " A" and resid 19 and name HN ))
(( segid " A" and resid 17 and name HA ))
4.973 3.253 1.243 peak 1102 weight 1.00000E+00 volume 9.25071E+04 ppm1 3.665 ppm2 7.387
ASSI { 406}
(( segid " A" and resid 19 and name HN ))
(( segid " A" and resid 17 and name HN ))
4.782 3.062 1.195 peak 406 weight 1.00000E+00 volume 3.41926E+04 ppm1 7.368 ppm2 8.002
ASSI { 1067}
( segid " A" and resid 19 and name HD2#)
( segid " A" and resid 19 and name HD1#)
4.081 2.361 1.020 peak 1067 weight 1.00000E+00 volume 2.37862E+06 ppm1 0.661 ppm2 0.779
ASSI { 1029}
(( segid " A" and resid 19 and name HG ))
(( segid " A" and resid 19 and name HA ))
5.017 3.297 1.254 peak 1029 weight 1.00000E+00 volume 6.59777E+04 ppm1 2.313 ppm2 4.308
ASSI { 1016}
(( segid " A" and resid 19 and name HB2 ))
(( segid " A" and resid 19 and name HA ))
4.821 3.101 1.205 peak 1016 weight 1.00000E+00 volume 4.07468E+04 ppm1 1.771 ppm2 4.296
ASSI { 1035}
( segid " A" and resid 19 and name HD2#)
(( segid " A" and resid 19 and name HG ))
4.223 2.503 1.056 peak 1035 weight 1.00000E+00 volume 3.92971E+05 ppm1 2.312 ppm2 0.665
ASSI { 1017}
(( segid " A" and resid 19 and name HB2 ))
(( segid " A" and resid 19 and name HG ))
4.506 2.786 1.127 peak 1017 weight 1.00000E+00 volume 7.40348E+04 ppm1 1.766 ppm2 2.315
ASSI { 1040}
( segid " A" and resid 19 and name HD1#)
(( segid " A" and resid 19 and name HA ))
3.803 2.083 0.951 peak 1040 weight 1.00000E+00 volume 6.46081E+05 ppm1 4.306 ppm2 0.775
ASSI { 1022}
(( segid " A" and resid 19 and name HB1 ))
( segid " A" and resid 19 and name HD2#)
4.376 2.656 1.094 peak 1022 weight 1.00000E+00 volume 1.99729E+05 ppm1 1.307 ppm2 0.673
ASSI { 1023}
(( segid " A" and resid 19 and name HB1 ))
( segid " A" and resid 19 and name HD1#)
3.999 2.279 1.000 peak 1023 weight 1.00000E+00 volume 2.46917E+05 ppm1 1.312 ppm2 0.785
ASSI { 413}
(( segid " A" and resid 19 and name HN ))
(( segid " A" and resid 19 and name HB2 ))
3.813 2.093 0.953 peak 413 weight 1.00000E+00 volume 1.33289E+05 ppm1 7.369 ppm2 1.765
ASSI { 1034}
( segid " A" and resid 19 and name HD1#)
(( segid " A" and resid 19 and name HG ))
3.854 2.134 0.964 peak 1034 weight 1.00000E+00 volume 4.62650E+05 ppm1 2.311 ppm2 0.777
ASSI { 1020}
(( segid " A" and resid 19 and name HB2 ))
( segid " A" and resid 19 and name HD1#)
3.805 2.085 0.951 peak 1020 weight 1.00000E+00 volume 1.72720E+05 ppm1 1.764 ppm2 0.780
ASSI { 1039}
( segid " A" and resid 19 and name HD2#)
(( segid " A" and resid 19 and name HA ))
5.086 3.366 1.271 peak 1039 weight 1.00000E+00 volume 1.76274E+05 ppm1 4.306 ppm2 0.657
ASSI { 1027}
(( segid " A" and resid 19 and name HB1 ))
(( segid " A" and resid 19 and name HA ))
5.524 3.804 1.381 peak 1027 weight 1.00000E+00 volume 4.30766E+04 ppm1 1.311 ppm2 4.294
ASSI { 1025}
(( segid " A" and resid 19 and name HB1 ))
(( segid " A" and resid 19 and name HG ))
4.831 3.111 1.208 peak 1025 weight 1.00000E+00 volume 5.82572E+04 ppm1 1.312 ppm2 2.303
ASSI { 1019}
(( segid " A" and resid 19 and name HB1 ))
(( segid " A" and resid 19 and name HB2 ))
4.414 2.694 1.103 peak 1019 weight 1.00000E+00 volume 1.23119E+05 ppm1 1.767 ppm2 1.306
ASSI { 1021}
(( segid " A" and resid 19 and name HB2 ))
( segid " A" and resid 19 and name HD2#)
4.171 2.451 1.043 peak 1021 weight 1.00000E+00 volume 1.85970E+05 ppm1 1.767 ppm2 0.668
ASSI { 418}
(( segid " A" and resid 19 and name HN ))
( segid " A" and resid 19 and name HD1#)
4.151 2.431 1.038 peak 418 weight 1.00000E+00 volume 2.95295E+05 ppm1 7.369 ppm2 0.778
ASSI { 407}
(( segid " A" and resid 19 and name HN ))
(( segid " A" and resid 19 and name HA ))
4.038 2.318 1.009 peak 407 weight 1.00000E+00 volume 1.05296E+05 ppm1 7.367 ppm2 4.298
ASSI { 419}
(( segid " A" and resid 19 and name HN ))
( segid " A" and resid 19 and name HD2#)
4.192 2.472 1.048 peak 419 weight 1.00000E+00 volume 2.70508E+05 ppm1 7.369 ppm2 0.664
ASSI { 412}
(( segid " A" and resid 19 and name HN ))
(( segid " A" and resid 19 and name HG ))
3.752 2.032 0.938 peak 412 weight 1.00000E+00 volume 1.50547E+05 ppm1 7.368 ppm2 2.307
ASSI { 416}
(( segid " A" and resid 19 and name HN ))
(( segid " A" and resid 19 and name HB1 ))
4.067 2.347 1.017 peak 416 weight 1.00000E+00 volume 1.02470E+05 ppm1 7.369 ppm2 1.307
ASSI { 171}
( segid " A" and resid 19 and name HD1#)
(( segid " A" and resid 20 and name HG1 ))
5.668 3.948 1.417 peak 171 weight 1.00000E+00 volume 1.34080E+05 ppm1 2.118 ppm2 0.783
ASSI { 172}
( segid " A" and resid 19 and name HD1#)
(( segid " A" and resid 20 and name HG2 ))
5.299 3.579 1.325 peak 172 weight 1.00000E+00 volume 1.22302E+05 ppm1 1.999 ppm2 0.790
ASSI { 410}
(( segid " A" and resid 19 and name HN ))
(( segid " A" and resid 20 and name HD1 ))
4.360 2.640 1.090 peak 410 weight 1.00000E+00 volume 7.00941E+04 ppm1 7.367 ppm2 3.706
ASSI { 409}
(( segid " A" and resid 19 and name HN ))
(( segid " A" and resid 20 and name HD2 ))
4.550 2.830 1.138 peak 409 weight 1.00000E+00 volume 4.94442E+04 ppm1 7.369 ppm2 3.917
ASSI { 804}
( segid " A" and resid 19 and name HD2#)
(( segid " A" and resid 22 and name HG ))
5.025 3.305 1.256 peak 804 weight 1.00000E+00 volume 1.95423E+05 ppm1 1.685 ppm2 0.665
ASSI { 28}
(( segid " A" and resid 19 and name HB2 ))
( segid " A" and resid 48 and name HB# )
4.696 2.976 1.174 peak 28 weight 1.00000E+00 volume 3.82141E+05 ppm1 0.427 ppm2 1.770
ASSI { 8}
( segid " A" and resid 19 and name HD2#)
( segid " A" and resid 48 and name HB# )
4.684 2.964 1.171 peak 8 weight 1.00000E+00 volume 1.07549E+06 ppm1 0.426 ppm2 0.666
ASSI { 1060}
( segid " A" and resid 19 and name HD2#)
(( segid " A" and resid 48 and name HA ))
4.331 2.611 1.083 peak 1060 weight 1.00000E+00 volume 6.16144E+05 ppm1 0.661 ppm2 3.406
OR { 1060}
( segid " A" and resid 19 and name HD2#)
(( segid " A" and resid 16 and name HA ))
ASSI { 75}
( segid " A" and resid 19 and name HD2#)
(( segid " A" and resid 48 and name HA ))
5.485 3.765 1.371 peak 75 weight 1.00000E+00 volume 1.26061E+05 ppm1 3.396 ppm2 0.669
ASSI { 510}
( segid " A" and resid 19 and name HD1#)
(( segid " A" and resid 49 and name HG2 ))
4.440 2.720 1.110 peak 510 weight 1.00000E+00 volume 4.26313E+05 ppm1 1.296 ppm2 0.805
ASSI { 1303}
( segid " A" and resid 19 and name HD2#)
(( segid " A" and resid 49 and name HD2 ))
5.280 3.560 1.320 peak 1303 weight 1.00000E+00 volume 1.05325E+05 ppm1 1.618 ppm2 0.664
ASSI { 511}
( segid " A" and resid 19 and name HD2#)
(( segid " A" and resid 49 and name HG2 ))
5.234 3.514 1.309 peak 511 weight 1.00000E+00 volume 1.95000E+05 ppm1 1.295 ppm2 0.663
ASSI { 512}
( segid " A" and resid 19 and name HD2#)
(( segid " A" and resid 49 and name HG1 ))
5.195 3.475 1.299 peak 512 weight 1.00000E+00 volume 1.69762E+05 ppm1 1.569 ppm2 0.666
ASSI { 1065}
( segid " A" and resid 19 and name HD2#)
(( segid " A" and resid 49 and name HD1 ))
4.529 2.809 1.132 peak 1065 weight 1.00000E+00 volume 4.93529E+05 ppm1 0.661 ppm2 1.576
OR { 1065}
( segid " A" and resid 19 and name HD2#)
(( segid " A" and resid 49 and name HG1 ))
ASSI { 1304}
( segid " A" and resid 19 and name HD2#)
(( segid " A" and resid 49 and name HD1 ))
5.335 3.615 1.334 peak 1304 weight 1.00000E+00 volume 1.24775E+05 ppm1 1.566 ppm2 0.662
ASSI { 1063}
( segid " A" and resid 19 and name HD2#)
(( segid " A" and resid 49 and name HB1 ))
5.391 3.671 1.348 peak 1063 weight 1.00000E+00 volume 1.86711E+05 ppm1 0.660 ppm2 1.896
ASSI { 156}
(( segid " A" and resid 20 and name HD1 ))
(( segid " A" and resid 19 and name HA ))
3.824 2.104 0.956 peak 156 weight 1.00000E+00 volume 2.84296E+05 ppm1 3.712 ppm2 4.306
ASSI { 158}
(( segid " A" and resid 20 and name HD1 ))
( segid " A" and resid 19 and name HD1#)
3.936 2.216 0.984 peak 158 weight 1.00000E+00 volume 3.13542E+05 ppm1 3.710 ppm2 0.782
ASSI { 1030}
(( segid " A" and resid 20 and name HD1 ))
(( segid " A" and resid 19 and name HG ))
4.921 3.201 1.230 peak 1030 weight 1.00000E+00 volume 7.85599E+04 ppm1 2.313 ppm2 3.705
ASSI { 1498}
(( segid " A" and resid 20 and name HD2 ))
(( segid " A" and resid 19 and name HB1 ))
5.502 3.782 1.376 peak 1498 weight 1.00000E+00 volume 4.90214E+04 ppm1 1.318 ppm2 3.921
ASSI { 151}
(( segid " A" and resid 20 and name HD2 ))
(( segid " A" and resid 19 and name HA ))
4.009 2.289 1.002 peak 151 weight 1.00000E+00 volume 2.55471E+05 ppm1 3.931 ppm2 4.302
ASSI { 1043}
(( segid " A" and resid 20 and name HG2 ))
(( segid " A" and resid 19 and name HA ))
4.533 2.813 1.133 peak 1043 weight 1.00000E+00 volume 8.22835E+04 ppm1 4.308 ppm2 2.012
ASSI { 1499}
(( segid " A" and resid 20 and name HD1 ))
(( segid " A" and resid 19 and name HB1 ))
6.131 4.411 1.533 peak 1499 weight 1.00000E+00 volume 2.61901E+04 ppm1 1.319 ppm2 3.703
ASSI { 1044}
(( segid " A" and resid 20 and name HG1 ))
(( segid " A" and resid 19 and name HA ))
4.493 2.773 1.123 peak 1044 weight 1.00000E+00 volume 8.89762E+04 ppm1 4.311 ppm2 2.129
ASSI { 157}
(( segid " A" and resid 20 and name HD2 ))
( segid " A" and resid 19 and name HD1#)
4.072 2.352 1.018 peak 157 weight 1.00000E+00 volume 3.11965E+05 ppm1 3.932 ppm2 0.775
ASSI { 152}
(( segid " A" and resid 20 and name HD1 ))
(( segid " A" and resid 20 and name HB1 ))
4.318 2.598 1.080 peak 152 weight 1.00000E+00 volume 1.59693E+05 ppm1 3.709 ppm2 2.256
ASSI { 164}
(( segid " A" and resid 20 and name HB1 ))
(( segid " A" and resid 20 and name HB2 ))
3.091 1.371 0.773 peak 164 weight 1.00000E+00 volume 1.28702E+06 ppm1 1.905 ppm2 2.247
ASSI { 159}
(( segid " A" and resid 20 and name HB2 ))
(( segid " A" and resid 20 and name HA ))
3.190 1.470 0.797 peak 159 weight 1.00000E+00 volume 5.81702E+05 ppm1 1.909 ppm2 4.405
ASSI { 148}
(( segid " A" and resid 20 and name HD2 ))
(( segid " A" and resid 20 and name HG1 ))
4.043 2.323 1.011 peak 148 weight 1.00000E+00 volume 2.80926E+05 ppm1 3.929 ppm2 2.120
ASSI { 154}
(( segid " A" and resid 20 and name HD1 ))
(( segid " A" and resid 20 and name HG2 ))
3.745 2.025 0.936 peak 154 weight 1.00000E+00 volume 2.57346E+05 ppm1 3.701 ppm2 2.006
ASSI { 155}
(( segid " A" and resid 20 and name HD1 ))
(( segid " A" and resid 20 and name HB2 ))
4.119 2.399 1.030 peak 155 weight 1.00000E+00 volume 1.52971E+05 ppm1 3.701 ppm2 1.924
ASSI { 161}
(( segid " A" and resid 20 and name HD1 ))
(( segid " A" and resid 20 and name HA ))
4.313 2.593 1.078 peak 161 weight 1.00000E+00 volume 2.02919E+05 ppm1 4.408 ppm2 3.699
ASSI { 147}
(( segid " A" and resid 20 and name HD2 ))
(( segid " A" and resid 20 and name HB1 ))
4.288 2.568 1.072 peak 147 weight 1.00000E+00 volume 1.42169E+05 ppm1 3.931 ppm2 2.253
ASSI { 168}
(( segid " A" and resid 20 and name HA ))
(( segid " A" and resid 20 and name HG1 ))
3.845 2.125 0.961 peak 168 weight 1.00000E+00 volume 1.46847E+05 ppm1 2.120 ppm2 4.403
ASSI { 170}
(( segid " A" and resid 20 and name HB1 ))
(( segid " A" and resid 20 and name HG1 ))
3.353 1.633 0.838 peak 170 weight 1.00000E+00 volume 6.73549E+05 ppm1 2.123 ppm2 2.247
ASSI { 153}
(( segid " A" and resid 20 and name HD1 ))
(( segid " A" and resid 20 and name HG1 ))
3.850 2.130 0.962 peak 153 weight 1.00000E+00 volume 2.83123E+05 ppm1 3.709 ppm2 2.128
ASSI { 150}
(( segid " A" and resid 20 and name HD2 ))
(( segid " A" and resid 20 and name HB2 ))
4.640 2.920 1.160 peak 150 weight 1.00000E+00 volume 1.26876E+05 ppm1 3.931 ppm2 1.930
ASSI { 162}
(( segid " A" and resid 20 and name HB1 ))
(( segid " A" and resid 20 and name HA ))
3.415 1.695 0.854 peak 162 weight 1.00000E+00 volume 6.78985E+05 ppm1 4.405 ppm2 2.243
ASSI { 145}
(( segid " A" and resid 20 and name HD1 ))
(( segid " A" and resid 20 and name HD2 ))
3.753 2.033 0.938 peak 145 weight 1.00000E+00 volume 2.96433E+05 ppm1 3.713 ppm2 3.929
ASSI { 149}
(( segid " A" and resid 20 and name HD2 ))
(( segid " A" and resid 20 and name HG2 ))
4.129 2.409 1.032 peak 149 weight 1.00000E+00 volume 2.35996E+05 ppm1 3.931 ppm2 1.999
ASSI { 160}
(( segid " A" and resid 20 and name HD2 ))
(( segid " A" and resid 20 and name HA ))
4.541 2.821 1.135 peak 160 weight 1.00000E+00 volume 1.30853E+05 ppm1 4.408 ppm2 3.938
ASSI { 338}
(( segid " A" and resid 21 and name HN ))
(( segid " A" and resid 19 and name HA ))
4.282 2.562 1.070 peak 338 weight 1.00000E+00 volume 6.94090E+04 ppm1 8.767 ppm2 4.303
ASSI { 347}
(( segid " A" and resid 21 and name HN ))
( segid " A" and resid 19 and name HD1#)
4.960 3.240 1.240 peak 347 weight 1.00000E+00 volume 1.01906E+05 ppm1 8.767 ppm2 0.781
ASSI { 141}
(( segid " A" and resid 21 and name HD22))
(( segid " A" and resid 20 and name HG2 ))
4.716 2.996 1.179 peak 141 weight 1.00000E+00 volume 1.11600E+05 ppm1 2.013 ppm2 7.333
ASSI { 178}
(( segid " A" and resid 21 and name HD22))
(( segid " A" and resid 20 and name HG1 ))
5.352 3.632 1.338 peak 178 weight 1.00000E+00 volume 7.08623E+04 ppm1 2.121 ppm2 7.334
ASSI { 345}
(( segid " A" and resid 21 and name HN ))
(( segid " A" and resid 20 and name HG2 ))
4.015 2.295 1.004 peak 345 weight 1.00000E+00 volume 1.01553E+05 ppm1 8.767 ppm2 2.005
ASSI { 346}
(( segid " A" and resid 21 and name HN ))
(( segid " A" and resid 20 and name HB2 ))
4.347 2.627 1.087 peak 346 weight 1.00000E+00 volume 6.12948E+04 ppm1 8.765 ppm2 1.920
ASSI { 337}
(( segid " A" and resid 21 and name HN ))
(( segid " A" and resid 20 and name HA ))
4.251 2.531 1.063 peak 337 weight 1.00000E+00 volume 8.05983E+04 ppm1 8.764 ppm2 4.401
ASSI { 340}
(( segid " A" and resid 21 and name HN ))
(( segid " A" and resid 20 and name HD1 ))
4.218 2.498 1.054 peak 340 weight 1.00000E+00 volume 7.85993E+04 ppm1 8.764 ppm2 3.709
ASSI { 344}
(( segid " A" and resid 21 and name HN ))
(( segid " A" and resid 20 and name HG1 ))
4.185 2.465 1.046 peak 344 weight 1.00000E+00 volume 8.42677E+04 ppm1 8.764 ppm2 2.123
ASSI { 343}
(( segid " A" and resid 21 and name HN ))
(( segid " A" and resid 20 and name HB1 ))
4.573 2.853 1.143 peak 343 weight 1.00000E+00 volume 4.94740E+04 ppm1 8.765 ppm2 2.250
ASSI { 339}
(( segid " A" and resid 21 and name HN ))
(( segid " A" and resid 20 and name HD2 ))
4.075 2.355 1.019 peak 339 weight 1.00000E+00 volume 7.65490E+04 ppm1 8.768 ppm2 3.915
ASSI { 789}
(( segid " A" and resid 21 and name HD21))
(( segid " A" and resid 21 and name HA ))
5.332 3.612 1.333 peak 789 weight 1.00000E+00 volume 6.05311E+04 ppm1 4.975 ppm2 6.968
ASSI { 610}
(( segid " A" and resid 21 and name HD22))
( segid " A" and resid 21 and name HB# )
4.221 2.501 1.055 peak 610 weight 1.00000E+00 volume 6.38535E+04 ppm1 7.326 ppm2 2.851
ASSI { 787}
(( segid " A" and resid 21 and name HA ))
( segid " A" and resid 21 and name HB# )
5.075 3.355 1.269 peak 787 weight 1.00000E+00 volume 6.32932E+04 ppm1 2.876 ppm2 4.973
ASSI { 336}
(( segid " A" and resid 21 and name HN ))
(( segid " A" and resid 21 and name HA ))
3.706 1.986 0.927 peak 336 weight 1.00000E+00 volume 1.73320E+05 ppm1 8.766 ppm2 4.970
ASSI { 786}
(( segid " A" and resid 21 and name HA ))
(( segid " A" and resid 21 and name HB1 ))
3.916 2.196 0.979 peak 786 weight 1.00000E+00 volume 3.07666E+05 ppm1 4.975 ppm2 2.865
ASSI { 619}
(( segid " A" and resid 21 and name HD22))
(( segid " A" and resid 21 and name HD21))
3.483 1.763 0.871 peak 619 weight 1.00000E+00 volume 2.36797E+05 ppm1 6.958 ppm2 7.328
ASSI { 331}
(( segid " A" and resid 21 and name HN ))
(( segid " A" and resid 21 and name HD22))
4.156 2.436 1.039 peak 331 weight 1.00000E+00 volume 7.24653E+04 ppm1 8.771 ppm2 7.337
ASSI { 342}
(( segid " A" and resid 21 and name HN ))
(( segid " A" and resid 21 and name HB2 ))
3.902 2.182 0.975 peak 342 weight 1.00000E+00 volume 1.08967E+05 ppm1 8.767 ppm2 2.843
ASSI { 611}
(( segid " A" and resid 21 and name HD21))
( segid " A" and resid 21 and name HB# )
3.554 1.834 0.888 peak 611 weight 1.00000E+00 volume 7.15770E+04 ppm1 6.958 ppm2 2.863
ASSI { 341}
(( segid " A" and resid 21 and name HN ))
(( segid " A" and resid 21 and name HB1 ))
3.958 2.238 0.990 peak 341 weight 1.00000E+00 volume 1.03351E+05 ppm1 8.764 ppm2 2.872
ASSI { 332}
(( segid " A" and resid 21 and name HN ))
(( segid " A" and resid 21 and name HD21))
4.428 2.708 1.107 peak 332 weight 1.00000E+00 volume 6.44444E+04 ppm1 8.767 ppm2 6.958
ASSI { 323}
(( segid " A" and resid 21 and name HD21))
(( segid " A" and resid 52 and name HA ))
4.781 3.061 1.195 peak 323 weight 1.00000E+00 volume 9.93680E+04 ppm1 3.901 ppm2 6.956
ASSI { 322}
(( segid " A" and resid 21 and name HD22))
(( segid " A" and resid 52 and name HA ))
4.590 2.870 1.148 peak 322 weight 1.00000E+00 volume 1.23274E+05 ppm1 3.901 ppm2 7.330
ASSI { 333}
(( segid " A" and resid 21 and name HN ))
(( segid " A" and resid 52 and name HD22))
4.502 2.782 1.126 peak 333 weight 1.00000E+00 volume 5.32035E+04 ppm1 8.764 ppm2 6.617
ASSI { 330}
(( segid " A" and resid 21 and name HN ))
(( segid " A" and resid 52 and name HD21))
4.806 3.086 1.202 peak 330 weight 1.00000E+00 volume 4.27066E+04 ppm1 8.760 ppm2 7.895
ASSI { 679}
(( segid " A" and resid 21 and name HN ))
(( segid " A" and resid 55 and name HE22))
4.645 2.925 1.161 peak 679 weight 1.00000E+00 volume 4.12584E+04 ppm1 8.763 ppm2 8.479
ASSI { 82}
(( segid " A" and resid 21 and name HB2 ))
( segid " A" and resid 56 and name HB# )
4.323 2.603 1.081 peak 82 weight 1.00000E+00 volume 5.42152E+05 ppm1 1.409 ppm2 2.840
ASSI { 618}
(( segid " A" and resid 21 and name HD21))
( segid " A" and resid 56 and name HB# )
4.129 2.409 1.032 peak 618 weight 1.00000E+00 volume 1.23843E+05 ppm1 6.957 ppm2 1.409
ASSI { 89}
(( segid " A" and resid 21 and name HB2 ))
(( segid " A" and resid 56 and name HA ))
4.421 2.701 1.105 peak 89 weight 1.00000E+00 volume 1.60570E+05 ppm1 4.298 ppm2 2.858
ASSI { 613}
(( segid " A" and resid 21 and name HD22))
(( segid " A" and resid 56 and name HA ))
4.081 2.361 1.020 peak 613 weight 1.00000E+00 volume 8.22098E+04 ppm1 7.334 ppm2 4.294
ASSI { 612}
(( segid " A" and resid 21 and name HD21))
(( segid " A" and resid 56 and name HA ))
4.189 2.469 1.047 peak 612 weight 1.00000E+00 volume 7.57756E+04 ppm1 6.958 ppm2 4.293
ASSI { 617}
(( segid " A" and resid 21 and name HD22))
( segid " A" and resid 56 and name HB# )
4.060 2.340 1.015 peak 617 weight 1.00000E+00 volume 1.64361E+05 ppm1 7.331 ppm2 1.410
ASSI { 134}
(( segid " A" and resid 21 and name HD22))
(( segid " A" and resid 57 and name HD2 ))
4.565 2.845 1.141 peak 134 weight 1.00000E+00 volume 1.30137E+05 ppm1 3.746 ppm2 7.333
ASSI { 138}
(( segid " A" and resid 21 and name HD22))
(( segid " A" and resid 57 and name HD1 ))
4.545 2.825 1.136 peak 138 weight 1.00000E+00 volume 1.32411E+05 ppm1 3.591 ppm2 7.334
ASSI { 140}
(( segid " A" and resid 21 and name HD21))
(( segid " A" and resid 57 and name HD1 ))
4.861 3.141 1.215 peak 140 weight 1.00000E+00 volume 1.00473E+05 ppm1 3.593 ppm2 6.965
ASSI { 615}
(( segid " A" and resid 21 and name HD21))
(( segid " A" and resid 57 and name HD2 ))
4.860 3.140 1.215 peak 615 weight 1.00000E+00 volume 3.48581E+04 ppm1 6.961 ppm2 3.742
ASSI { 816}
( segid " A" and resid 22 and name HD1#)
(( segid " A" and resid 19 and name HB1 ))
5.160 3.440 1.290 peak 816 weight 1.00000E+00 volume 2.70524E+05 ppm1 0.882 ppm2 1.295
ASSI { 1018}
( segid " A" and resid 22 and name HD1#)
(( segid " A" and resid 19 and name HB2 ))
5.671 3.951 1.418 peak 1018 weight 1.00000E+00 volume 8.16811E+04 ppm1 1.773 ppm2 0.882
ASSI { 806}
( segid " A" and resid 22 and name HD1#)
( segid " A" and resid 19 and name HD2#)
4.629 2.909 1.157 peak 806 weight 1.00000E+00 volume 1.27539E+06 ppm1 0.882 ppm2 0.668
ASSI { 822}
( segid " A" and resid 22 and name HD2#)
(( segid " A" and resid 19 and name HB2 ))
3.732 2.012 0.933 peak 822 weight 1.00000E+00 volume 1.32871E+06 ppm1 0.789 ppm2 1.764
ASSI { 417}
( segid " A" and resid 22 and name HD1#)
(( segid " A" and resid 19 and name HN ))
5.706 3.986 1.427 peak 417 weight 1.00000E+00 volume 5.60447E+04 ppm1 7.368 ppm2 0.883
ASSI { 707}
(( segid " A" and resid 22 and name HN ))
(( segid " A" and resid 19 and name HA ))
4.883 3.163 1.221 peak 707 weight 1.00000E+00 volume 3.36932E+04 ppm1 6.491 ppm2 4.303
ASSI { 509}
(( segid " A" and resid 22 and name HN ))
( segid " A" and resid 19 and name HD2#)
5.503 3.783 1.376 peak 509 weight 1.00000E+00 volume 5.47596E+04 ppm1 6.495 ppm2 0.665
ASSI { 506}
(( segid " A" and resid 22 and name HN ))
(( segid " A" and resid 19 and name HB1 ))
4.950 3.230 1.237 peak 506 weight 1.00000E+00 volume 3.27956E+04 ppm1 6.493 ppm2 1.311
ASSI { 498}
(( segid " A" and resid 22 and name HN ))
(( segid " A" and resid 20 and name HD1 ))
5.120 3.400 1.280 peak 498 weight 1.00000E+00 volume 3.37954E+04 ppm1 6.494 ppm2 3.709
ASSI { 497}
(( segid " A" and resid 22 and name HN ))
(( segid " A" and resid 20 and name HD2 ))
4.805 3.085 1.201 peak 497 weight 1.00000E+00 volume 4.63205E+04 ppm1 6.495 ppm2 3.905
ASSI { 495}
(( segid " A" and resid 22 and name HN ))
(( segid " A" and resid 20 and name HA ))
4.603 2.883 1.151 peak 495 weight 1.00000E+00 volume 4.31627E+04 ppm1 6.489 ppm2 4.398
ASSI { 494}
(( segid " A" and resid 22 and name HN ))
(( segid " A" and resid 21 and name HA ))
3.644 1.924 0.911 peak 494 weight 1.00000E+00 volume 2.13172E+05 ppm1 6.495 ppm2 4.968
ASSI { 502}
(( segid " A" and resid 22 and name HN ))
( segid " A" and resid 21 and name HB# )
4.313 2.593 1.078 peak 502 weight 1.00000E+00 volume 6.24180E+04 ppm1 6.494 ppm2 2.860
ASSI { 510}
(( segid " A" and resid 22 and name HN ))
(( segid " A" and resid 21 and name HD22))
4.220 2.500 1.055 peak 510 weight 1.00000E+00 volume 8.57609E+04 ppm1 6.495 ppm2 7.352
ASSI { 334}
(( segid " A" and resid 22 and name HN ))
(( segid " A" and resid 21 and name HN ))
3.298 1.578 0.825 peak 334 weight 1.00000E+00 volume 2.55545E+05 ppm1 8.766 ppm2 6.490
ASSI { 797}
(( segid " A" and resid 22 and name HB1 ))
(( segid " A" and resid 22 and name HB2 ))
3.944 2.224 0.986 peak 797 weight 1.00000E+00 volume 1.03950E+05 ppm1 1.598 ppm2 1.477
ASSI { 803}
( segid " A" and resid 22 and name HD1#)
(( segid " A" and resid 22 and name HG ))
3.841 2.121 0.960 peak 803 weight 1.00000E+00 volume 4.84118E+05 ppm1 1.687 ppm2 0.878
ASSI { 504}
(( segid " A" and resid 22 and name HN ))
(( segid " A" and resid 22 and name HB2 ))
3.581 1.861 0.895 peak 504 weight 1.00000E+00 volume 2.11599E+05 ppm1 6.494 ppm2 1.601
ASSI { 505}
(( segid " A" and resid 22 and name HN ))
(( segid " A" and resid 22 and name HB1 ))
3.620 1.900 0.905 peak 505 weight 1.00000E+00 volume 1.91853E+05 ppm1 6.495 ppm2 1.482
ASSI { 802}
( segid " A" and resid 22 and name HD2#)
(( segid " A" and resid 22 and name HA ))
4.956 3.236 1.239 peak 802 weight 1.00000E+00 volume 1.36268E+05 ppm1 4.490 ppm2 0.788
ASSI { 799}
(( segid " A" and resid 22 and name HB2 ))
(( segid " A" and resid 22 and name HG ))
4.144 2.424 1.036 peak 799 weight 1.00000E+00 volume 1.72627E+05 ppm1 1.598 ppm2 1.687
ASSI { 793}
( segid " A" and resid 22 and name HD1#)
(( segid " A" and resid 22 and name HB2 ))
4.109 2.389 1.027 peak 793 weight 1.00000E+00 volume 1.62244E+05 ppm1 1.590 ppm2 0.884
ASSI { 805}
( segid " A" and resid 22 and name HD2#)
(( segid " A" and resid 22 and name HG ))
3.984 2.264 0.996 peak 805 weight 1.00000E+00 volume 6.07815E+05 ppm1 1.681 ppm2 0.798
ASSI { 824}
( segid " A" and resid 22 and name HD2#)
(( segid " A" and resid 22 and name HB1 ))
3.815 2.095 0.954 peak 824 weight 1.00000E+00 volume 1.24366E+06 ppm1 0.792 ppm2 1.481
OR { 824}
( segid " A" and resid 22 and name HD2#)
(( segid " A" and resid 51 and name HG ))
ASSI { 796}
( segid " A" and resid 22 and name HD2#)
(( segid " A" and resid 22 and name HB1 ))
4.957 3.237 1.239 peak 796 weight 1.00000E+00 volume 1.48175E+05 ppm1 1.479 ppm2 0.788
ASSI { 823}
( segid " A" and resid 22 and name HD2#)
(( segid " A" and resid 22 and name HG ))
3.524 1.804 0.881 peak 823 weight 1.00000E+00 volume 2.09994E+06 ppm1 0.791 ppm2 1.671
OR { 823}
( segid " A" and resid 22 and name HD2#)
(( segid " A" and resid 26 and name HB1 ))
ASSI { 795}
( segid " A" and resid 22 and name HD2#)
(( segid " A" and resid 22 and name HB2 ))
5.154 3.434 1.288 peak 795 weight 1.00000E+00 volume 1.56167E+05 ppm1 1.595 ppm2 0.797
ASSI { 808}
( segid " A" and resid 22 and name HD2#)
( segid " A" and resid 22 and name HD1#)
3.784 2.064 0.946 peak 808 weight 1.00000E+00 volume 3.12282E+06 ppm1 0.884 ppm2 0.794
ASSI { 809}
( segid " A" and resid 22 and name HD1#)
(( segid " A" and resid 22 and name HA ))
6.150 4.430 1.537 peak 809 weight 1.00000E+00 volume 6.76041E+04 ppm1 0.878 ppm2 4.495
ASSI { 798}
(( segid " A" and resid 22 and name HB1 ))
(( segid " A" and resid 22 and name HG ))
4.036 2.316 1.009 peak 798 weight 1.00000E+00 volume 1.89629E+05 ppm1 1.486 ppm2 1.680
ASSI { 794}
( segid " A" and resid 22 and name HD1#)
(( segid " A" and resid 22 and name HB1 ))
4.549 2.829 1.137 peak 794 weight 1.00000E+00 volume 1.37214E+05 ppm1 1.478 ppm2 0.885
ASSI { 507}
( segid " A" and resid 22 and name HD1#)
(( segid " A" and resid 22 and name HN ))
4.544 2.824 1.136 peak 507 weight 1.00000E+00 volume 2.01520E+05 ppm1 6.494 ppm2 0.883
ASSI { 499}
(( segid " A" and resid 22 and name HN ))
(( segid " A" and resid 22 and name HA ))
4.022 2.302 1.005 peak 499 weight 1.00000E+00 volume 1.23544E+05 ppm1 6.495 ppm2 4.493
ASSI { 503}
(( segid " A" and resid 22 and name HN ))
(( segid " A" and resid 22 and name HG ))
3.444 1.724 0.861 peak 503 weight 1.00000E+00 volume 2.65316E+05 ppm1 6.494 ppm2 1.682
ASSI { 508}
( segid " A" and resid 22 and name HD2#)
(( segid " A" and resid 22 and name HN ))
4.276 2.556 1.069 peak 508 weight 1.00000E+00 volume 2.48809E+05 ppm1 6.494 ppm2 0.790
ASSI { 470}
( segid " A" and resid 22 and name HD2#)
(( segid " A" and resid 27 and name HN ))
5.580 3.860 1.395 peak 470 weight 1.00000E+00 volume 4.49057E+04 ppm1 8.320 ppm2 0.799
ASSI { 469}
( segid " A" and resid 22 and name HD1#)
(( segid " A" and resid 27 and name HN ))
6.244 4.524 1.561 peak 469 weight 1.00000E+00 volume 3.37583E+04 ppm1 8.323 ppm2 0.881
ASSI { 837}
( segid " A" and resid 22 and name HD1#)
( segid " A" and resid 30 and name HD# )
5.003 3.283 1.251 peak 837 weight 1.00000E+00 volume 5.59214E+05 ppm1 0.882 ppm2 7.235
OR { 837}
( segid " A" and resid 22 and name HD1#)
( segid " A" and resid 30 and name HE# )
ASSI { 838}
( segid " A" and resid 22 and name HD2#)
( segid " A" and resid 30 and name HE# )
4.960 3.240 1.240 peak 838 weight 1.00000E+00 volume 5.81201E+05 ppm1 0.792 ppm2 7.244
ASSI { 180}
( segid " A" and resid 22 and name HD2#)
(( segid " A" and resid 30 and name HN ))
6.105 4.385 1.526 peak 180 weight 1.00000E+00 volume 3.41705E+04 ppm1 7.955 ppm2 0.809
ASSI { 74}
( segid " A" and resid 22 and name HD2#)
(( segid " A" and resid 48 and name HA ))
4.740 3.020 1.185 peak 74 weight 1.00000E+00 volume 2.34779E+05 ppm1 3.392 ppm2 0.795
ASSI { 73}
( segid " A" and resid 22 and name HD1#)
(( segid " A" and resid 48 and name HA ))
5.047 3.327 1.262 peak 73 weight 1.00000E+00 volume 2.02680E+05 ppm1 3.392 ppm2 0.893
ASSI { 826}
( segid " A" and resid 22 and name HD2#)
( segid " A" and resid 48 and name HB# )
5.196 3.476 1.299 peak 826 weight 1.00000E+00 volume 5.79952E+05 ppm1 0.791 ppm2 0.434
ASSI { 807}
( segid " A" and resid 22 and name HD1#)
( segid " A" and resid 48 and name HB# )
5.080 3.360 1.270 peak 807 weight 1.00000E+00 volume 7.67502E+05 ppm1 0.882 ppm2 0.434
ASSI { 403}
( segid " A" and resid 22 and name HD2#)
(( segid " A" and resid 51 and name HB1 ))
4.569 2.849 1.142 peak 403 weight 1.00000E+00 volume 3.36883E+05 ppm1 1.640 ppm2 0.810
ASSI { 397}
( segid " A" and resid 22 and name HD2#)
(( segid " A" and resid 51 and name HG ))
4.164 2.444 1.041 peak 397 weight 1.00000E+00 volume 6.54391E+05 ppm1 1.480 ppm2 0.801
ASSI { 404}
( segid " A" and resid 22 and name HD2#)
(( segid " A" and resid 51 and name HB2 ))
4.319 2.599 1.080 peak 404 weight 1.00000E+00 volume 3.19942E+05 ppm1 1.802 ppm2 0.797
OR { 404}
( segid " A" and resid 22 and name HD2#)
(( segid " A" and resid 44 and name HB2 ))
ASSI { 408}
(( segid " A" and resid 22 and name HB1 ))
(( segid " A" and resid 51 and name HB1 ))
3.384 1.664 0.846 peak 408 weight 1.00000E+00 volume 5.98609E+05 ppm1 1.642 ppm2 1.484
ASSI { 836}
( segid " A" and resid 22 and name HD1#)
(( segid " A" and resid 51 and name HN ))
5.983 4.263 1.496 peak 836 weight 1.00000E+00 volume 1.12307E+05 ppm1 0.882 ppm2 7.967
ASSI { 395}
( segid " A" and resid 22 and name HD2#)
( segid " A" and resid 51 and name HD1#)
4.121 2.401 1.030 peak 395 weight 1.00000E+00 volume 2.29723E+06 ppm1 0.983 ppm2 0.800
ASSI { 128}
( segid " A" and resid 22 and name HD2#)
(( segid " A" and resid 51 and name HN ))
5.179 3.459 1.295 peak 128 weight 1.00000E+00 volume 7.40035E+04 ppm1 7.986 ppm2 0.795
ASSI { 306}
( segid " A" and resid 22 and name HD2#)
(( segid " A" and resid 52 and name HA ))
4.027 2.307 1.007 peak 306 weight 1.00000E+00 volume 5.56034E+05 ppm1 3.901 ppm2 0.792
ASSI { 810}
( segid " A" and resid 22 and name HD1#)
(( segid " A" and resid 52 and name HA ))
5.160 3.440 1.290 peak 810 weight 1.00000E+00 volume 2.24889E+05 ppm1 0.882 ppm2 3.909
ASSI { 118}
( segid " A" and resid 22 and name HD2#)
(( segid " A" and resid 52 and name HN ))
4.606 2.886 1.152 peak 118 weight 1.00000E+00 volume 1.40093E+05 ppm1 8.489 ppm2 0.789
ASSI { 117}
( segid " A" and resid 22 and name HD1#)
(( segid " A" and resid 52 and name HN ))
5.458 3.738 1.365 peak 117 weight 1.00000E+00 volume 5.88380E+04 ppm1 8.488 ppm2 0.881
ASSI { 108}
( segid " A" and resid 22 and name HD1#)
(( segid " A" and resid 53 and name HN ))
6.401 4.681 1.599 peak 108 weight 1.00000E+00 volume 6.12705E+04 ppm1 8.066 ppm2 0.859
ASSI { 109}
( segid " A" and resid 22 and name HD2#)
(( segid " A" and resid 53 and name HN ))
5.523 3.803 1.381 peak 109 weight 1.00000E+00 volume 5.54547E+04 ppm1 8.071 ppm2 0.785
OR { 109}
( segid " A" and resid 19 and name HD1#)
(( segid " A" and resid 53 and name HN ))
ASSI { 834}
( segid " A" and resid 22 and name HD1#)
(( segid " A" and resid 55 and name HE22))
5.120 3.400 1.280 peak 834 weight 1.00000E+00 volume 2.46565E+05 ppm1 0.882 ppm2 8.490
ASSI { 839}
( segid " A" and resid 22 and name HD2#)
(( segid " A" and resid 55 and name HE22))
4.120 2.400 1.030 peak 839 weight 1.00000E+00 volume 8.71000E+05 ppm1 0.791 ppm2 8.490
OR { 839}
( segid " A" and resid 22 and name HD2#)
(( segid " A" and resid 52 and name HN ))
ASSI { 666}
( segid " A" and resid 22 and name HD2#)
(( segid " A" and resid 55 and name HE21))
5.252 3.532 1.313 peak 666 weight 1.00000E+00 volume 7.22556E+04 ppm1 7.360 ppm2 0.794
ASSI { 663}
( segid " A" and resid 22 and name HD2#)
(( segid " A" and resid 55 and name HN ))
5.353 3.633 1.338 peak 663 weight 1.00000E+00 volume 3.77462E+04 ppm1 7.531 ppm2 0.793
ASSI { 513}
(( segid " A" and resid 22 and name HN ))
(( segid " A" and resid 55 and name HE22))
4.627 2.907 1.157 peak 513 weight 1.00000E+00 volume 5.52908E+04 ppm1 6.497 ppm2 8.485
ASSI { 161}
(( segid " A" and resid 23 and name HN ))
(( segid " A" and resid 22 and name HB1 ))
4.474 2.754 1.119 peak 161 weight 1.00000E+00 volume 4.76207E+04 ppm1 8.680 ppm2 1.488
ASSI { 167}
(( segid " A" and resid 23 and name HN ))
( segid " A" and resid 22 and name HD1#)
5.531 3.811 1.383 peak 167 weight 1.00000E+00 volume 5.97406E+04 ppm1 8.678 ppm2 0.880
ASSI { 162}
(( segid " A" and resid 23 and name HN ))
( segid " A" and resid 22 and name HD2#)
4.677 2.957 1.169 peak 162 weight 1.00000E+00 volume 1.30673E+05 ppm1 8.677 ppm2 0.793
ASSI { 156}
(( segid " A" and resid 23 and name HN ))
(( segid " A" and resid 22 and name HA ))
3.606 1.886 0.901 peak 156 weight 1.00000E+00 volume 1.85263E+05 ppm1 8.677 ppm2 4.493
ASSI { 164}
(( segid " A" and resid 23 and name HN ))
(( segid " A" and resid 22 and name HG ))
3.848 2.128 0.962 peak 164 weight 1.00000E+00 volume 1.20113E+05 ppm1 8.679 ppm2 1.680
ASSI { 153}
(( segid " A" and resid 23 and name HN ))
(( segid " A" and resid 22 and name HN ))
4.084 2.364 1.021 peak 153 weight 1.00000E+00 volume 4.84383E+04 ppm1 8.676 ppm2 6.489
ASSI { 165}
(( segid " A" and resid 23 and name HN ))
(( segid " A" and resid 22 and name HB2 ))
3.951 2.231 0.988 peak 165 weight 1.00000E+00 volume 1.03152E+05 ppm1 8.679 ppm2 1.603
ASSI { 625}
(( segid " A" and resid 23 and name HD21))
(( segid " A" and resid 23 and name HB1 ))
4.407 2.687 1.102 peak 625 weight 1.00000E+00 volume 4.55731E+04 ppm1 7.583 ppm2 3.305
ASSI { 841}
(( segid " A" and resid 23 and name HB1 ))
(( segid " A" and resid 23 and name HB2 ))
3.658 1.938 0.914 peak 841 weight 1.00000E+00 volume 4.47387E+05 ppm1 3.303 ppm2 2.822
ASSI { 157}
(( segid " A" and resid 23 and name HN ))
(( segid " A" and resid 23 and name HB1 ))
4.521 2.801 1.130 peak 157 weight 1.00000E+00 volume 5.71850E+04 ppm1 8.678 ppm2 3.301
ASSI { 623}
(( segid " A" and resid 23 and name HD22))
(( segid " A" and resid 23 and name HB1 ))
4.557 2.837 1.139 peak 623 weight 1.00000E+00 volume 4.97463E+04 ppm1 7.085 ppm2 3.307
ASSI { 621}
(( segid " A" and resid 23 and name HD22))
(( segid " A" and resid 23 and name HD21))
3.304 1.584 0.826 peak 621 weight 1.00000E+00 volume 2.92075E+05 ppm1 7.079 ppm2 7.577
ASSI { 624}
(( segid " A" and resid 23 and name HD22))
(( segid " A" and resid 23 and name HB2 ))
4.187 2.467 1.047 peak 624 weight 1.00000E+00 volume 6.92199E+04 ppm1 7.075 ppm2 2.817
ASSI { 626}
(( segid " A" and resid 23 and name HD21))
(( segid " A" and resid 23 and name HB2 ))
3.690 1.970 0.922 peak 626 weight 1.00000E+00 volume 1.16712E+05 ppm1 7.578 ppm2 2.810
ASSI { 158}
(( segid " A" and resid 23 and name HN ))
(( segid " A" and resid 23 and name HB2 ))
4.120 2.400 1.030 peak 158 weight 1.00000E+00 volume 8.39674E+04 ppm1 8.676 ppm2 2.817
ASSI { 151}
(( segid " A" and resid 23 and name HN ))
(( segid " A" and resid 23 and name HD21))
4.507 2.787 1.127 peak 151 weight 1.00000E+00 volume 5.46658E+04 ppm1 8.676 ppm2 7.592
ASSI { 152}
(( segid " A" and resid 23 and name HN ))
(( segid " A" and resid 23 and name HD22))
4.680 2.960 1.170 peak 152 weight 1.00000E+00 volume 4.07551E+04 ppm1 8.677 ppm2 7.079
ASSI { 155}
(( segid " A" and resid 23 and name HN ))
(( segid " A" and resid 23 and name HA ))
4.153 2.433 1.038 peak 155 weight 1.00000E+00 volume 8.76123E+04 ppm1 8.676 ppm2 4.814
ASSI { 148}
(( segid " A" and resid 23 and name HN ))
(( segid " A" and resid 25 and name HN ))
4.643 2.923 1.161 peak 148 weight 1.00000E+00 volume 3.56433E+04 ppm1 8.680 ppm2 8.315
ASSI { 901}
(( segid " A" and resid 23 and name HD22))
(( segid " A" and resid 26 and name HG1 ))
5.448 3.728 1.362 peak 901 weight 1.00000E+00 volume 4.74162E+04 ppm1 2.729 ppm2 7.074
ASSI { 423}
(( segid " A" and resid 23 and name HN ))
(( segid " A" and resid 26 and name HN ))
4.288 2.568 1.072 peak 423 weight 1.00000E+00 volume 7.38285E+04 ppm1 8.528 ppm2 8.674
ASSI { 163}
(( segid " A" and resid 23 and name HN ))
(( segid " A" and resid 55 and name HB2 ))
4.224 2.504 1.056 peak 163 weight 1.00000E+00 volume 6.98904E+04 ppm1 8.678 ppm2 2.453
ASSI { 150}
(( segid " A" and resid 23 and name HN ))
(( segid " A" and resid 55 and name HE22))
4.057 2.337 1.014 peak 150 weight 1.00000E+00 volume 8.87074E+04 ppm1 8.672 ppm2 8.484
ASSI { 149}
(( segid " A" and resid 23 and name HN ))
(( segid " A" and resid 55 and name HE21))
4.317 2.597 1.079 peak 149 weight 1.00000E+00 volume 7.01411E+04 ppm1 8.680 ppm2 7.351
ASSI { 845}
(( segid " A" and resid 24 and name HB2 ))
(( segid " A" and resid 24 and name HA ))
4.182 2.462 1.045 peak 845 weight 1.00000E+00 volume 1.97831E+05 ppm1 4.343 ppm2 2.868
ASSI { 846}
(( segid " A" and resid 24 and name HB1 ))
(( segid " A" and resid 24 and name HA ))
4.017 2.297 1.004 peak 846 weight 1.00000E+00 volume 2.55841E+05 ppm1 4.342 ppm2 2.739
ASSI { 629}
(( segid " A" and resid 24 and name HB2 ))
(( segid " A" and resid 24 and name HD21))
3.868 2.148 0.967 peak 629 weight 1.00000E+00 volume 4.48312E+04 ppm1 6.951 ppm2 2.864
ASSI { 630}
(( segid " A" and resid 24 and name HD22))
(( segid " A" and resid 24 and name HD21))
2.805 1.085 0.701 peak 630 weight 1.00000E+00 volume 2.50548E+05 ppm1 6.951 ppm2 7.678
ASSI { 628}
(( segid " A" and resid 24 and name HB2 ))
(( segid " A" and resid 24 and name HD22))
4.297 2.577 1.074 peak 628 weight 1.00000E+00 volume 3.73407E+04 ppm1 7.677 ppm2 2.874
ASSI { 627}
(( segid " A" and resid 24 and name HB1 ))
(( segid " A" and resid 24 and name HD22))
4.416 2.696 1.104 peak 627 weight 1.00000E+00 volume 3.02271E+04 ppm1 7.680 ppm2 2.742
ASSI { 868}
(( segid " A" and resid 24 and name HB1 ))
( segid " A" and resid 25 and name HG# )
4.225 2.505 1.056 peak 868 weight 1.00000E+00 volume 2.62090E+05 ppm1 2.392 ppm2 2.736
ASSI { 869}
(( segid " A" and resid 24 and name HB2 ))
( segid " A" and resid 25 and name HG# )
4.193 2.473 1.048 peak 869 weight 1.00000E+00 volume 2.06679E+05 ppm1 2.389 ppm2 2.863
ASSI { 844}
(( segid " A" and resid 24 and name HA ))
( segid " A" and resid 27 and name HB# )
4.091 2.371 1.023 peak 844 weight 1.00000E+00 volume 2.53217E+05 ppm1 4.343 ppm2 1.625
ASSI { 1409}
(( segid " A" and resid 24 and name HD21))
( segid " A" and resid 27 and name HE# )
4.881 3.161 1.220 peak 1409 weight 1.00000E+00 volume 9.18653E+04 ppm1 2.944 ppm2 6.968
ASSI { 1270}
(( segid " A" and resid 24 and name HA ))
( segid " A" and resid 27 and name HE# )
4.527 2.807 1.132 peak 1270 weight 1.00000E+00 volume 1.99561E+05 ppm1 2.949 ppm2 4.332
ASSI { 440}
(( segid " A" and resid 25 and name HN ))
(( segid " A" and resid 24 and name HB1 ))
3.660 1.940 0.915 peak 440 weight 1.00000E+00 volume 1.68495E+05 ppm1 8.292 ppm2 2.743
ASSI { 439}
(( segid " A" and resid 25 and name HN ))
(( segid " A" and resid 24 and name HB2 ))
3.889 2.169 0.972 peak 439 weight 1.00000E+00 volume 1.14289E+05 ppm1 8.291 ppm2 2.861
ASSI { 471}
(( segid " A" and resid 25 and name HN ))
(( segid " A" and resid 24 and name HA ))
4.384 2.664 1.096 peak 471 weight 1.00000E+00 volume 5.71918E+04 ppm1 8.293 ppm2 4.341
ASSI { 853}
( segid " A" and resid 25 and name HB# )
(( segid " A" and resid 25 and name HA ))
3.060 1.340 0.765 peak 853 weight 1.00000E+00 volume 1.21459E+06 ppm1 2.117 ppm2 3.976
ASSI { 856}
( segid " A" and resid 25 and name HB# )
( segid " A" and resid 25 and name HG# )
2.683 0.963 0.671 peak 856 weight 1.00000E+00 volume 2.09965E+06 ppm1 2.116 ppm2 2.393
ASSI { 441}
(( segid " A" and resid 25 and name HN ))
( segid " A" and resid 25 and name HG# )
3.476 1.756 0.869 peak 441 weight 1.00000E+00 volume 2.85855E+05 ppm1 8.290 ppm2 2.393
ASSI { 852}
(( segid " A" and resid 25 and name HA ))
( segid " A" and resid 25 and name HG# )
3.241 1.521 0.810 peak 852 weight 1.00000E+00 volume 1.25136E+06 ppm1 2.393 ppm2 3.979
ASSI { 633}
(( segid " A" and resid 25 and name HE21))
( segid " A" and resid 25 and name HG# )
4.229 2.509 1.057 peak 633 weight 1.00000E+00 volume 1.01563E+05 ppm1 6.815 ppm2 2.392
ASSI { 438}
(( segid " A" and resid 25 and name HN ))
(( segid " A" and resid 25 and name HA ))
3.472 1.752 0.868 peak 438 weight 1.00000E+00 volume 2.48352E+05 ppm1 8.291 ppm2 3.976
ASSI { 443}
( segid " A" and resid 25 and name HB# )
(( segid " A" and resid 25 and name HN ))
2.996 1.276 0.749 peak 443 weight 1.00000E+00 volume 6.19971E+05 ppm1 8.290 ppm2 2.117
ASSI { 632}
(( segid " A" and resid 25 and name HE22))
( segid " A" and resid 25 and name HG# )
3.923 2.203 0.981 peak 632 weight 1.00000E+00 volume 1.60150E+05 ppm1 7.442 ppm2 2.394
ASSI { 428}
(( segid " A" and resid 26 and name HN ))
(( segid " A" and resid 23 and name HD22))
4.909 3.189 1.227 peak 428 weight 1.00000E+00 volume 3.67817E+04 ppm1 8.525 ppm2 7.079
ASSI { 432}
(( segid " A" and resid 26 and name HN ))
( segid " A" and resid 25 and name HG# )
3.951 2.231 0.988 peak 432 weight 1.00000E+00 volume 9.99799E+04 ppm1 8.529 ppm2 2.397
ASSI { 864}
(( segid " A" and resid 26 and name HN ))
(( segid " A" and resid 25 and name HA ))
4.258 2.538 1.064 peak 864 weight 1.00000E+00 volume 1.27762E+05 ppm1 3.976 ppm2 8.527
ASSI { 434}
(( segid " A" and resid 26 and name HN ))
( segid " A" and resid 25 and name HB# )
3.659 1.939 0.915 peak 434 weight 1.00000E+00 volume 1.86900E+05 ppm1 8.529 ppm2 2.119
ASSI { 425}
(( segid " A" and resid 26 and name HN ))
(( segid " A" and resid 25 and name HN ))
3.567 1.847 0.892 peak 425 weight 1.00000E+00 volume 2.06374E+05 ppm1 8.528 ppm2 8.292
ASSI { 903}
(( segid " A" and resid 26 and name HE21))
(( segid " A" and resid 26 and name HG2 ))
4.725 3.005 1.181 peak 903 weight 1.00000E+00 volume 6.57131E+04 ppm1 2.289 ppm2 8.168
ASSI { 872}
(( segid " A" and resid 26 and name HG1 ))
(( segid " A" and resid 26 and name HB1 ))
4.292 2.572 1.073 peak 872 weight 1.00000E+00 volume 1.53885E+05 ppm1 2.743 ppm2 1.681
ASSI { 877}
(( segid " A" and resid 26 and name HG2 ))
(( segid " A" and resid 26 and name HB2 ))
4.115 2.395 1.029 peak 877 weight 1.00000E+00 volume 1.66182E+05 ppm1 2.455 ppm2 2.289
ASSI { 873}
(( segid " A" and resid 26 and name HG1 ))
(( segid " A" and resid 26 and name HB2 ))
4.313 2.593 1.078 peak 873 weight 1.00000E+00 volume 1.35086E+05 ppm1 2.740 ppm2 2.435
ASSI { 874}
(( segid " A" and resid 26 and name HG2 ))
(( segid " A" and resid 26 and name HB1 ))
4.183 2.463 1.046 peak 874 weight 1.00000E+00 volume 1.88616E+05 ppm1 2.296 ppm2 1.667
ASSI { 876}
(( segid " A" and resid 26 and name HB1 ))
(( segid " A" and resid 26 and name HB2 ))
4.004 2.284 1.001 peak 876 weight 1.00000E+00 volume 2.63858E+05 ppm1 1.678 ppm2 2.440
ASSI { 883}
(( segid " A" and resid 26 and name HA ))
(( segid " A" and resid 26 and name HB2 ))
3.302 1.582 0.825 peak 883 weight 1.00000E+00 volume 6.43687E+05 ppm1 3.960 ppm2 2.440
ASSI { 435}
(( segid " A" and resid 26 and name HN ))
(( segid " A" and resid 26 and name HB1 ))
3.896 2.176 0.974 peak 435 weight 1.00000E+00 volume 1.20789E+05 ppm1 8.527 ppm2 1.674
ASSI { 899}
(( segid " A" and resid 26 and name HA ))
(( segid " A" and resid 26 and name HE22))
4.682 2.962 1.171 peak 899 weight 1.00000E+00 volume 9.56485E+04 ppm1 3.963 ppm2 7.618
ASSI { 870}
(( segid " A" and resid 26 and name HA ))
(( segid " A" and resid 26 and name HG1 ))
3.763 2.043 0.941 peak 870 weight 1.00000E+00 volume 1.88849E+05 ppm1 2.740 ppm2 3.957
ASSI { 902}
(( segid " A" and resid 26 and name HE21))
(( segid " A" and resid 26 and name HG1 ))
4.818 3.098 1.204 peak 902 weight 1.00000E+00 volume 8.53124E+04 ppm1 2.737 ppm2 8.163
ASSI { 875}
(( segid " A" and resid 26 and name HA ))
(( segid " A" and resid 26 and name HG2 ))
3.365 1.645 0.841 peak 875 weight 1.00000E+00 volume 2.10098E+05 ppm1 2.299 ppm2 3.969
ASSI { 871}
(( segid " A" and resid 26 and name HG1 ))
(( segid " A" and resid 26 and name HG2 ))
3.841 2.121 0.960 peak 871 weight 1.00000E+00 volume 2.77703E+05 ppm1 2.747 ppm2 2.296
ASSI { 429}
(( segid " A" and resid 26 and name HN ))
(( segid " A" and resid 26 and name HA ))
3.643 1.923 0.911 peak 429 weight 1.00000E+00 volume 1.85669E+05 ppm1 8.527 ppm2 3.964
ASSI { 885}
(( segid " A" and resid 26 and name HA ))
(( segid " A" and resid 26 and name HB1 ))
3.228 1.508 0.807 peak 885 weight 1.00000E+00 volume 8.11708E+05 ppm1 3.960 ppm2 1.673
ASSI { 636}
(( segid " A" and resid 26 and name HE22))
(( segid " A" and resid 26 and name HG2 ))
4.370 2.650 1.092 peak 636 weight 1.00000E+00 volume 4.59467E+04 ppm1 7.634 ppm2 2.294
ASSI { 637}
(( segid " A" and resid 26 and name HE22))
(( segid " A" and resid 26 and name HG1 ))
4.353 2.633 1.088 peak 637 weight 1.00000E+00 volume 3.53754E+04 ppm1 7.634 ppm2 2.736
ASSI { 638}
(( segid " A" and resid 26 and name HE22))
(( segid " A" and resid 26 and name HE21))
3.905 2.185 0.976 peak 638 weight 1.00000E+00 volume 1.11175E+05 ppm1 7.630 ppm2 8.171
ASSI { 430}
(( segid " A" and resid 26 and name HN ))
(( segid " A" and resid 26 and name HG1 ))
3.826 2.106 0.957 peak 430 weight 1.00000E+00 volume 1.32073E+05 ppm1 8.529 ppm2 2.739
ASSI { 431}
(( segid " A" and resid 26 and name HN ))
(( segid " A" and resid 26 and name HB2 ))
4.039 2.319 1.010 peak 431 weight 1.00000E+00 volume 8.14822E+04 ppm1 8.527 ppm2 2.447
ASSI { 426}
(( segid " A" and resid 26 and name HN ))
(( segid " A" and resid 26 and name HE21))
4.554 2.834 1.139 peak 426 weight 1.00000E+00 volume 4.19898E+04 ppm1 8.526 ppm2 8.213
ASSI { 433}
(( segid " A" and resid 26 and name HN ))
(( segid " A" and resid 26 and name HG2 ))
3.961 2.241 0.990 peak 433 weight 1.00000E+00 volume 1.11824E+05 ppm1 8.528 ppm2 2.295
ASSI { 427}
(( segid " A" and resid 26 and name HN ))
(( segid " A" and resid 26 and name HE22))
4.384 2.664 1.096 peak 427 weight 1.00000E+00 volume 5.59792E+04 ppm1 8.524 ppm2 7.631
ASSI { 456}
(( segid " A" and resid 26 and name HN ))
(( segid " A" and resid 27 and name HN ))
4.096 2.376 1.024 peak 456 weight 1.00000E+00 volume 9.17604E+04 ppm1 8.324 ppm2 8.525
ASSI { 463}
(( segid " A" and resid 26 and name HG1 ))
(( segid " A" and resid 27 and name HN ))
4.897 3.177 1.224 peak 463 weight 1.00000E+00 volume 3.10255E+04 ppm1 8.329 ppm2 2.742
ASSI { 460}
(( segid " A" and resid 26 and name HA ))
(( segid " A" and resid 27 and name HN ))
4.301 2.581 1.075 peak 460 weight 1.00000E+00 volume 6.44683E+04 ppm1 8.323 ppm2 3.964
ASSI { 916}
(( segid " A" and resid 26 and name HB1 ))
( segid " A" and resid 29 and name HB# )
4.665 2.945 1.166 peak 916 weight 1.00000E+00 volume 3.81280E+05 ppm1 1.298 ppm2 1.685
ASSI { 886}
(( segid " A" and resid 26 and name HA ))
( segid " A" and resid 29 and name HB# )
4.152 2.432 1.038 peak 886 weight 1.00000E+00 volume 7.77004E+05 ppm1 3.963 ppm2 1.298
ASSI { 900}
(( segid " A" and resid 26 and name HA ))
( segid " A" and resid 30 and name HD# )
5.197 3.477 1.299 peak 900 weight 1.00000E+00 volume 9.42824E+04 ppm1 3.963 ppm2 7.240
ASSI { 170}
(( segid " A" and resid 26 and name HA ))
(( segid " A" and resid 30 and name HN ))
4.628 2.908 1.157 peak 170 weight 1.00000E+00 volume 4.81702E+04 ppm1 7.956 ppm2 3.948
ASSI { 423}
(( segid " A" and resid 26 and name HE22))
( segid " A" and resid 51 and name HD# )
4.774 3.054 1.193 peak 423 weight 1.00000E+00 volume 4.03193E+05 ppm1 0.983 ppm2 7.630
ASSI { 391}
(( segid " A" and resid 26 and name HG2 ))
( segid " A" and resid 51 and name HD1#)
4.934 3.214 1.233 peak 391 weight 1.00000E+00 volume 3.51274E+05 ppm1 0.984 ppm2 2.282
ASSI { 375}
(( segid " A" and resid 26 and name HB2 ))
( segid " A" and resid 51 and name HD# )
5.073 3.353 1.268 peak 375 weight 1.00000E+00 volume 2.56093E+05 ppm1 0.943 ppm2 2.447
ASSI { 421}
(( segid " A" and resid 26 and name HE21))
( segid " A" and resid 51 and name HD# )
4.952 3.232 1.238 peak 421 weight 1.00000E+00 volume 3.42677E+05 ppm1 0.984 ppm2 8.168
ASSI { 387}
(( segid " A" and resid 26 and name HA ))
( segid " A" and resid 51 and name HD1#)
5.523 3.803 1.381 peak 387 weight 1.00000E+00 volume 1.97048E+05 ppm1 0.983 ppm2 3.957
ASSI { 389}
(( segid " A" and resid 26 and name HG1 ))
( segid " A" and resid 51 and name HD1#)
5.916 4.196 1.479 peak 389 weight 1.00000E+00 volume 1.35499E+05 ppm1 0.984 ppm2 2.740
ASSI { 390}
(( segid " A" and resid 26 and name HB2 ))
( segid " A" and resid 51 and name HD1#)
5.068 3.348 1.267 peak 390 weight 1.00000E+00 volume 2.85154E+05 ppm1 0.984 ppm2 2.439
ASSI { 376}
(( segid " A" and resid 26 and name HG2 ))
( segid " A" and resid 51 and name HD# )
4.658 2.938 1.165 peak 376 weight 1.00000E+00 volume 4.07114E+05 ppm1 0.944 ppm2 2.279
ASSI { 641}
(( segid " A" and resid 27 and name HN ))
(( segid " A" and resid 24 and name HA ))
4.681 2.961 1.170 peak 641 weight 1.00000E+00 volume 4.07675E+04 ppm1 8.325 ppm2 4.336
ASSI { 464}
(( segid " A" and resid 27 and name HN ))
(( segid " A" and resid 26 and name HB2 ))
4.765 3.045 1.191 peak 464 weight 1.00000E+00 volume 3.34298E+04 ppm1 8.328 ppm2 2.446
ASSI { 467}
(( segid " A" and resid 27 and name HN ))
(( segid " A" and resid 26 and name HB1 ))
3.588 1.868 0.897 peak 467 weight 1.00000E+00 volume 1.58121E+05 ppm1 8.325 ppm2 1.672
ASSI { 906}
(( segid " A" and resid 27 and name HA ))
( segid " A" and resid 27 and name HB# )
3.672 1.952 0.918 peak 906 weight 1.00000E+00 volume 3.66150E+05 ppm1 3.777 ppm2 1.638
ASSI { 1402}
( segid " A" and resid 27 and name HB# )
( segid " A" and resid 27 and name HG# )
3.227 1.507 0.807 peak 1402 weight 1.00000E+00 volume 1.05165E+06 ppm1 1.325 ppm2 1.645
ASSI { 1396}
(( segid " A" and resid 27 and name HA ))
( segid " A" and resid 27 and name HG# )
4.576 2.856 1.144 peak 1396 weight 1.00000E+00 volume 1.28748E+05 ppm1 1.325 ppm2 3.784
ASSI { 1410}
(( segid " A" and resid 27 and name HN ))
( segid " A" and resid 27 and name HB# )
4.165 2.445 1.041 peak 1410 weight 1.00000E+00 volume 1.48564E+05 ppm1 1.640 ppm2 8.336
ASSI { 1397}
( segid " A" and resid 27 and name HG# )
( segid " A" and resid 27 and name HE# )
3.708 1.988 0.927 peak 1397 weight 1.00000E+00 volume 4.84631E+05 ppm1 1.324 ppm2 2.948
ASSI { 1403}
( segid " A" and resid 27 and name HB# )
( segid " A" and resid 27 and name HE# )
2.855 1.135 0.714 peak 1403 weight 1.00000E+00 volume 1.78771E+06 ppm1 1.637 ppm2 2.948
ASSI { 1404}
( segid " A" and resid 27 and name HD# )
( segid " A" and resid 27 and name HE# )
4.423 2.703 1.106 peak 1404 weight 1.00000E+00 volume 1.68592E+05 ppm1 1.832 ppm2 2.947
ASSI { 461}
(( segid " A" and resid 27 and name HN ))
(( segid " A" and resid 27 and name HA ))
4.124 2.404 1.031 peak 461 weight 1.00000E+00 volume 6.55414E+04 ppm1 8.330 ppm2 3.766
ASSI { 214}
(( segid " A" and resid 27 and name HN ))
(( segid " A" and resid 28 and name HN ))
4.183 2.463 1.046 peak 214 weight 1.00000E+00 volume 5.87431E+04 ppm1 8.205 ppm2 8.310
ASSI { 912}
(( segid " A" and resid 28 and name HB2 ))
(( segid " A" and resid 25 and name HA ))
4.105 2.385 1.026 peak 912 weight 1.00000E+00 volume 1.10495E+05 ppm1 1.832 ppm2 3.981
ASSI { 642}
(( segid " A" and resid 28 and name HN ))
(( segid " A" and resid 25 and name HA ))
4.801 3.081 1.200 peak 642 weight 1.00000E+00 volume 2.57228E+04 ppm1 8.214 ppm2 3.966
ASSI { 1405}
(( segid " A" and resid 28 and name HN ))
( segid " A" and resid 27 and name HD# )
3.899 2.179 0.975 peak 1405 weight 1.00000E+00 volume 2.08372E+05 ppm1 1.832 ppm2 8.195
ASSI { 218}
(( segid " A" and resid 28 and name HB2 ))
(( segid " A" and resid 28 and name HN ))
4.449 2.729 1.112 peak 218 weight 1.00000E+00 volume 4.89218E+04 ppm1 8.217 ppm2 1.836
ASSI { 217}
(( segid " A" and resid 28 and name HN ))
(( segid " A" and resid 28 and name HA ))
4.589 2.869 1.147 peak 217 weight 1.00000E+00 volume 4.32438E+04 ppm1 8.222 ppm2 3.725
ASSI { 219}
(( segid " A" and resid 28 and name HB1 ))
(( segid " A" and resid 28 and name HN ))
4.453 2.733 1.113 peak 219 weight 1.00000E+00 volume 4.95877E+04 ppm1 8.224 ppm2 1.743
ASSI { 959}
(( segid " A" and resid 28 and name HN ))
( segid " A" and resid 31 and name HD1#)
5.764 4.044 1.441 peak 959 weight 1.00000E+00 volume 9.97678E+04 ppm1 0.524 ppm2 8.190
ASSI { 859}
( segid " A" and resid 29 and name HB# )
( segid " A" and resid 25 and name HG# )
5.572 3.852 1.393 peak 859 weight 1.00000E+00 volume 1.93885E+05 ppm1 2.394 ppm2 1.299
ASSI { 898}
(( segid " A" and resid 29 and name HN ))
(( segid " A" and resid 26 and name HA ))
3.898 2.178 0.975 peak 898 weight 1.00000E+00 volume 2.44873E+05 ppm1 3.960 ppm2 7.779
ASSI { 210}
(( segid " A" and resid 29 and name HN ))
(( segid " A" and resid 26 and name HA ))
3.398 1.678 0.849 peak 210 weight 1.00000E+00 volume 2.59411E+05 ppm1 7.784 ppm2 4.023
OR { 210}
(( segid " A" and resid 29 and name HN ))
(( segid " A" and resid 29 and name HA ))
ASSI { 211}
(( segid " A" and resid 29 and name HN ))
(( segid " A" and resid 26 and name HA ))
3.678 1.958 0.919 peak 211 weight 1.00000E+00 volume 1.48186E+05 ppm1 7.784 ppm2 3.976
OR { 211}
(( segid " A" and resid 29 and name HN ))
(( segid " A" and resid 25 and name HA ))
ASSI { 145}
(( segid " A" and resid 29 and name HN ))
(( segid " A" and resid 28 and name HB2 ))
3.774 2.054 0.944 peak 145 weight 1.00000E+00 volume 1.20408E+05 ppm1 7.784 ppm2 1.824
ASSI { 207}
(( segid " A" and resid 29 and name HN ))
(( segid " A" and resid 28 and name HN ))
3.859 2.139 0.965 peak 207 weight 1.00000E+00 volume 1.27540E+05 ppm1 7.784 ppm2 8.203
ASSI { 212}
(( segid " A" and resid 29 and name HN ))
(( segid " A" and resid 28 and name HA ))
4.428 2.708 1.107 peak 212 weight 1.00000E+00 volume 4.45086E+04 ppm1 7.782 ppm2 3.741
ASSI { 146}
(( segid " A" and resid 29 and name HN ))
(( segid " A" and resid 28 and name HB1 ))
3.777 2.057 0.944 peak 146 weight 1.00000E+00 volume 1.25526E+05 ppm1 7.784 ppm2 1.749
ASSI { 717}
( segid " A" and resid 29 and name HB# )
(( segid " A" and resid 29 and name HA ))
3.293 1.573 0.823 peak 717 weight 1.00000E+00 volume 2.53106E+06 ppm1 4.029 ppm2 1.302
ASSI { 926}
(( segid " A" and resid 29 and name HN ))
(( segid " A" and resid 29 and name HA ))
3.464 1.744 0.866 peak 926 weight 1.00000E+00 volume 6.06247E+05 ppm1 4.026 ppm2 7.784
ASSI { 143}
(( segid " A" and resid 29 and name HN ))
( segid " A" and resid 29 and name HB# )
3.498 1.778 0.874 peak 143 weight 1.00000E+00 volume 7.86873E+05 ppm1 7.784 ppm2 1.297
ASSI { 920}
( segid " A" and resid 29 and name HB# )
(( segid " A" and resid 30 and name HA ))
5.200 3.480 1.300 peak 920 weight 1.00000E+00 volume 1.93958E+05 ppm1 1.300 ppm2 4.249
ASSI { 183}
(( segid " A" and resid 29 and name HN ))
(( segid " A" and resid 30 and name HN ))
3.605 1.885 0.901 peak 183 weight 1.00000E+00 volume 1.57844E+05 ppm1 7.955 ppm2 7.781
ASSI { 189}
(( segid " A" and resid 29 and name HN ))
(( segid " A" and resid 31 and name HN ))
4.126 2.406 1.032 peak 189 weight 1.00000E+00 volume 5.59761E+04 ppm1 8.318 ppm2 7.788
ASSI { 1124}
(( segid " A" and resid 30 and name HN ))
( segid " A" and resid 16 and name HD1#)
4.625 2.905 1.156 peak 1124 weight 1.00000E+00 volume 3.71085E+05 ppm1 0.472 ppm2 7.983
OR { 1124}
( segid " A" and resid 16 and name HD1#)
(( segid " A" and resid 17 and name HN ))
ASSI { 1}
(( segid " A" and resid 30 and name HB2 ))
( segid " A" and resid 16 and name HG2#)
5.203 3.483 1.301 peak 1 weight 1.00000E+00 volume 1.78001E+05 ppm1 0.743 ppm2 3.013
ASSI { 1149}
( segid " A" and resid 30 and name HD# )
( segid " A" and resid 16 and name HG2#)
6.125 4.405 1.531 peak 1149 weight 1.00000E+00 volume 1.36020E+05 ppm1 0.739 ppm2 7.213
ASSI { 1125}
( segid " A" and resid 30 and name HD# )
( segid " A" and resid 16 and name HD1#)
5.530 3.810 1.382 peak 1125 weight 1.00000E+00 volume 2.41862E+05 ppm1 0.470 ppm2 7.229
ASSI { 2}
(( segid " A" and resid 30 and name HB1 ))
( segid " A" and resid 16 and name HG2#)
4.969 3.249 1.242 peak 2 weight 1.00000E+00 volume 1.43452E+05 ppm1 0.741 ppm2 2.919
ASSI { 182}
(( segid " A" and resid 30 and name HN ))
( segid " A" and resid 16 and name HD1#)
5.592 3.872 1.398 peak 182 weight 1.00000E+00 volume 4.64165E+04 ppm1 7.947 ppm2 0.466
ASSI { 181}
(( segid " A" and resid 30 and name HN ))
( segid " A" and resid 16 and name HG2#)
5.298 3.578 1.325 peak 181 weight 1.00000E+00 volume 5.74875E+04 ppm1 7.952 ppm2 0.741
ASSI { 905}
(( segid " A" and resid 30 and name HB2 ))
(( segid " A" and resid 27 and name HA ))
4.784 3.064 1.196 peak 905 weight 1.00000E+00 volume 7.73664E+04 ppm1 3.773 ppm2 3.019
ASSI { 1144}
(( segid " A" and resid 30 and name HB1 ))
(( segid " A" and resid 27 and name HA ))
4.958 3.238 1.240 peak 1144 weight 1.00000E+00 volume 5.79792E+04 ppm1 2.906 ppm2 3.783
ASSI { 910}
( segid " A" and resid 30 and name HD# )
(( segid " A" and resid 27 and name HA ))
4.853 3.133 1.213 peak 910 weight 1.00000E+00 volume 1.70835E+05 ppm1 3.776 ppm2 7.222
ASSI { 172}
(( segid " A" and resid 30 and name HN ))
(( segid " A" and resid 27 and name HA ))
4.838 3.118 1.210 peak 172 weight 1.00000E+00 volume 4.14972E+04 ppm1 7.956 ppm2 3.771
ASSI { 918}
(( segid " A" and resid 30 and name HB2 ))
( segid " A" and resid 29 and name HB# )
5.303 3.583 1.326 peak 918 weight 1.00000E+00 volume 1.17089E+05 ppm1 1.299 ppm2 3.119
ASSI { 179}
(( segid " A" and resid 30 and name HN ))
( segid " A" and resid 29 and name HB# )
4.022 2.302 1.005 peak 179 weight 1.00000E+00 volume 2.64146E+05 ppm1 7.954 ppm2 1.297
ASSI { 169}
(( segid " A" and resid 30 and name HN ))
(( segid " A" and resid 29 and name HA ))
4.025 2.305 1.006 peak 169 weight 1.00000E+00 volume 6.46122E+04 ppm1 7.950 ppm2 4.026
ASSI { 168}
(( segid " A" and resid 30 and name HN ))
(( segid " A" and resid 30 and name HA ))
3.767 2.047 0.942 peak 168 weight 1.00000E+00 volume 1.02936E+05 ppm1 7.950 ppm2 4.250
ASSI { 950}
( segid " A" and resid 30 and name HD# )
(( segid " A" and resid 30 and name HB1 ))
4.837 3.117 1.209 peak 950 weight 1.00000E+00 volume 1.68162E+05 ppm1 2.917 ppm2 7.228
ASSI { 174}
(( segid " A" and resid 30 and name HN ))
(( segid " A" and resid 30 and name HB1 ))
4.093 2.373 1.023 peak 174 weight 1.00000E+00 volume 8.11334E+04 ppm1 7.951 ppm2 2.917
ASSI { 934}
(( segid " A" and resid 30 and name HB1 ))
(( segid " A" and resid 30 and name HA ))
3.827 2.107 0.957 peak 934 weight 1.00000E+00 volume 1.33350E+05 ppm1 2.913 ppm2 4.248
ASSI { 933}
(( segid " A" and resid 30 and name HB2 ))
(( segid " A" and resid 30 and name HA ))
3.831 2.111 0.958 peak 933 weight 1.00000E+00 volume 8.76511E+04 ppm1 3.027 ppm2 4.258
ASSI { 942}
( segid " A" and resid 30 and name HD# )
(( segid " A" and resid 30 and name HA ))
3.945 2.225 0.986 peak 942 weight 1.00000E+00 volume 5.99756E+05 ppm1 4.253 ppm2 7.223
ASSI { 173}
(( segid " A" and resid 30 and name HN ))
(( segid " A" and resid 30 and name HB2 ))
4.026 2.306 1.006 peak 173 weight 1.00000E+00 volume 1.01162E+05 ppm1 7.950 ppm2 3.025
ASSI { 951}
( segid " A" and resid 30 and name HD# )
(( segid " A" and resid 30 and name HB2 ))
4.809 3.089 1.202 peak 951 weight 1.00000E+00 volume 1.44855E+05 ppm1 3.025 ppm2 7.235
ASSI { 972}
(( segid " A" and resid 30 and name HB2 ))
( segid " A" and resid 31 and name HD1#)
5.281 3.561 1.320 peak 972 weight 1.00000E+00 volume 1.43378E+05 ppm1 0.517 ppm2 3.016
ASSI { 147}
(( segid " A" and resid 30 and name HN ))
(( segid " A" and resid 31 and name HN ))
3.917 2.197 0.979 peak 147 weight 1.00000E+00 volume 1.30129E+05 ppm1 7.957 ppm2 8.314
ASSI { 1245}
( segid " A" and resid 30 and name HD# )
( segid " A" and resid 34 and name HD# )
6.443 4.723 1.557 peak 1245 weight 1.00000E+00 volume 9.62515E+04 ppm1 0.819 ppm2 7.220
ASSI { 673}
( segid " A" and resid 30 and name HD# )
(( segid " A" and resid 44 and name HB1 ))
5.293 3.573 1.323 peak 673 weight 1.00000E+00 volume 1.03602E+05 ppm1 1.252 ppm2 7.227
ASSI { 675}
( segid " A" and resid 30 and name HD# )
( segid " A" and resid 44 and name HD2#)
4.357 2.637 1.089 peak 675 weight 1.00000E+00 volume 1.35371E+06 ppm1 1.041 ppm2 7.229
OR { 675}
( segid " A" and resid 44 and name HD2#)
( segid " A" and resid 30 and name HE# )
ASSI { 5}
( segid " A" and resid 30 and name HD# )
( segid " A" and resid 48 and name HB# )
5.268 3.548 1.317 peak 5 weight 1.00000E+00 volume 3.56709E+05 ppm1 0.426 ppm2 7.235
ASSI { 966}
( segid " A" and resid 31 and name HD1#)
( segid " A" and resid 13 and name HE# )
6.331 4.611 1.583 peak 966 weight 1.00000E+00 volume 1.09125E+05 ppm1 0.520 ppm2 6.843
ASSI { 967}
( segid " A" and resid 31 and name HD1#)
( segid " A" and resid 13 and name HD# )
6.250 4.530 1.562 peak 967 weight 1.00000E+00 volume 1.07423E+05 ppm1 0.523 ppm2 6.684
ASSI { 1514}
( segid " A" and resid 31 and name HD1#)
(( segid " A" and resid 14 and name HA ))
6.306 4.586 1.576 peak 1514 weight 1.00000E+00 volume 6.24632E+04 ppm1 0.516 ppm2 4.250
ASSI { 971}
( segid " A" and resid 31 and name HD1#)
(( segid " A" and resid 14 and name HB1 ))
6.015 4.295 1.504 peak 971 weight 1.00000E+00 volume 7.95154E+04 ppm1 0.526 ppm2 3.167
ASSI { 204}
(( segid " A" and resid 31 and name HN ))
( segid " A" and resid 16 and name HG2#)
5.048 3.328 1.262 peak 204 weight 1.00000E+00 volume 7.65643E+04 ppm1 8.320 ppm2 0.749
ASSI { 1108}
(( segid " A" and resid 31 and name HG11))
( segid " A" and resid 17 and name HB# )
5.277 3.557 1.319 peak 1108 weight 1.00000E+00 volume 1.59638E+05 ppm1 1.155 ppm2 1.618
ASSI { 974}
( segid " A" and resid 31 and name HD1#)
( segid " A" and resid 17 and name HB# )
5.573 3.853 1.393 peak 974 weight 1.00000E+00 volume 3.71136E+05 ppm1 0.522 ppm2 1.153
ASSI { 1112}
(( segid " A" and resid 31 and name HG11))
(( segid " A" and resid 17 and name HA ))
4.161 2.441 1.040 peak 1112 weight 1.00000E+00 volume 2.23009E+05 ppm1 3.657 ppm2 1.608
ASSI { 968}
( segid " A" and resid 31 and name HD1#)
(( segid " A" and resid 28 and name HA ))
4.539 2.819 1.135 peak 968 weight 1.00000E+00 volume 3.17103E+05 ppm1 0.520 ppm2 3.740
ASSI { 922}
(( segid " A" and resid 31 and name HN ))
( segid " A" and resid 29 and name HB# )
4.993 3.273 1.248 peak 922 weight 1.00000E+00 volume 2.73765E+05 ppm1 1.296 ppm2 8.315
ASSI { 194}
(( segid " A" and resid 31 and name HN ))
(( segid " A" and resid 30 and name HB2 ))
4.446 2.726 1.111 peak 194 weight 1.00000E+00 volume 5.60876E+04 ppm1 8.321 ppm2 3.024
ASSI { 195}
(( segid " A" and resid 31 and name HN ))
(( segid " A" and resid 30 and name HB1 ))
5.081 3.361 1.270 peak 195 weight 1.00000E+00 volume 3.07723E+04 ppm1 8.320 ppm2 2.915
ASSI { 190}
(( segid " A" and resid 31 and name HN ))
(( segid " A" and resid 30 and name HA ))
4.530 2.810 1.132 peak 190 weight 1.00000E+00 volume 3.75789E+04 ppm1 8.314 ppm2 4.252
ASSI { 977}
(( segid " A" and resid 31 and name HG12))
(( segid " A" and resid 31 and name HB ))
4.837 3.117 1.209 peak 977 weight 1.00000E+00 volume 7.03955E+04 ppm1 0.927 ppm2 1.684
ASSI { 979}
(( segid " A" and resid 31 and name HG11))
( segid " A" and resid 31 and name HD1#)
5.090 3.370 1.272 peak 979 weight 1.00000E+00 volume 1.95624E+05 ppm1 1.600 ppm2 0.528
ASSI { 975}
(( segid " A" and resid 31 and name HG12))
( segid " A" and resid 31 and name HD1#)
4.121 2.401 1.030 peak 975 weight 1.00000E+00 volume 7.10971E+05 ppm1 0.521 ppm2 0.925
ASSI { 956}
(( segid " A" and resid 31 and name HA ))
(( segid " A" and resid 31 and name HB ))
3.814 2.094 0.954 peak 956 weight 1.00000E+00 volume 2.90113E+05 ppm1 3.544 ppm2 1.689
ASSI { 976}
(( segid " A" and resid 31 and name HG12))
(( segid " A" and resid 31 and name HA ))
4.933 3.213 1.233 peak 976 weight 1.00000E+00 volume 8.18464E+04 ppm1 0.923 ppm2 3.552
ASSI { 973}
( segid " A" and resid 31 and name HD1#)
(( segid " A" and resid 31 and name HB ))
3.881 2.161 0.970 peak 973 weight 1.00000E+00 volume 9.11042E+05 ppm1 0.521 ppm2 1.683
ASSI { 955}
(( segid " A" and resid 31 and name HA ))
( segid " A" and resid 31 and name HD1#)
4.703 2.983 1.176 peak 955 weight 1.00000E+00 volume 2.12781E+05 ppm1 3.542 ppm2 0.522
ASSI { 978}
(( segid " A" and resid 31 and name HG11))
(( segid " A" and resid 31 and name HG12))
4.526 2.806 1.132 peak 978 weight 1.00000E+00 volume 1.08095E+05 ppm1 0.931 ppm2 1.608
ASSI { 205}
(( segid " A" and resid 31 and name HN ))
( segid " A" and resid 31 and name HD1#)
4.557 2.837 1.139 peak 205 weight 1.00000E+00 volume 1.17309E+05 ppm1 8.321 ppm2 0.518
ASSI { 202}
(( segid " A" and resid 31 and name HN ))
(( segid " A" and resid 31 and name HG12))
4.886 3.166 1.221 peak 202 weight 1.00000E+00 volume 3.83476E+04 ppm1 8.320 ppm2 0.928
ASSI { 193}
(( segid " A" and resid 31 and name HN ))
(( segid " A" and resid 31 and name HA ))
4.257 2.537 1.064 peak 193 weight 1.00000E+00 volume 8.20479E+04 ppm1 8.321 ppm2 3.543
ASSI { 197}
(( segid " A" and resid 31 and name HN ))
(( segid " A" and resid 31 and name HB ))
3.662 1.942 0.915 peak 197 weight 1.00000E+00 volume 1.46125E+05 ppm1 8.321 ppm2 1.673
ASSI { 198}
(( segid " A" and resid 31 and name HN ))
(( segid " A" and resid 31 and name HG11))
3.839 2.119 0.960 peak 198 weight 1.00000E+00 volume 1.07584E+05 ppm1 8.325 ppm2 1.604
ASSI { 943}
(( segid " A" and resid 33 and name HN ))
(( segid " A" and resid 30 and name HA ))
4.144 2.424 1.036 peak 943 weight 1.00000E+00 volume 1.96246E+05 ppm1 4.254 ppm2 7.810
ASSI { 952}
(( segid " A" and resid 33 and name HB1 ))
(( segid " A" and resid 30 and name HA ))
4.173 2.453 1.043 peak 952 weight 1.00000E+00 volume 1.37306E+05 ppm1 4.247 ppm2 4.029
ASSI { 953}
(( segid " A" and resid 33 and name HB2 ))
(( segid " A" and resid 30 and name HA ))
4.098 2.378 1.025 peak 953 weight 1.00000E+00 volume 1.95356E+05 ppm1 4.250 ppm2 3.939
ASSI { 984}
(( segid " A" and resid 33 and name HB1 ))
(( segid " A" and resid 33 and name HB2 ))
3.460 1.740 0.865 peak 984 weight 1.00000E+00 volume 4.85661E+05 ppm1 4.055 ppm2 3.936
ASSI { 982}
(( segid " A" and resid 33 and name HA ))
(( segid " A" and resid 33 and name HB2 ))
3.725 2.005 0.931 peak 982 weight 1.00000E+00 volume 3.87561E+05 ppm1 3.933 ppm2 4.222
ASSI { 361}
(( segid " A" and resid 33 and name HN ))
(( segid " A" and resid 33 and name HB1 ))
4.346 2.626 1.086 peak 361 weight 1.00000E+00 volume 5.36313E+04 ppm1 7.809 ppm2 4.043
ASSI { 983}
(( segid " A" and resid 33 and name HA ))
(( segid " A" and resid 33 and name HB1 ))
3.840 2.120 0.960 peak 983 weight 1.00000E+00 volume 2.76173E+05 ppm1 4.057 ppm2 4.227
ASSI { 360}
(( segid " A" and resid 33 and name HA ))
(( segid " A" and resid 33 and name HN ))
4.316 2.596 1.079 peak 360 weight 1.00000E+00 volume 5.81101E+04 ppm1 7.808 ppm2 4.208
ASSI { 362}
(( segid " A" and resid 33 and name HN ))
(( segid " A" and resid 33 and name HB2 ))
4.143 2.423 1.036 peak 362 weight 1.00000E+00 volume 4.87556E+04 ppm1 7.808 ppm2 3.937
ASSI { 349}
(( segid " A" and resid 33 and name HA ))
(( segid " A" and resid 34 and name HN ))
4.409 2.689 1.102 peak 349 weight 1.00000E+00 volume 5.31561E+04 ppm1 8.086 ppm2 4.223
ASSI { 1081}
(( segid " A" and resid 33 and name HA ))
(( segid " A" and resid 36 and name HB1 ))
3.770 2.050 0.942 peak 1081 weight 1.00000E+00 volume 2.36629E+05 ppm1 2.748 ppm2 4.208
ASSI { 1086}
(( segid " A" and resid 33 and name HB1 ))
(( segid " A" and resid 36 and name HB2 ))
4.540 2.820 1.135 peak 1086 weight 1.00000E+00 volume 1.05290E+05 ppm1 2.638 ppm2 4.071
ASSI { 1090}
(( segid " A" and resid 33 and name HN ))
(( segid " A" and resid 36 and name HB2 ))
5.162 3.442 1.291 peak 1090 weight 1.00000E+00 volume 5.81302E+04 ppm1 2.641 ppm2 7.818
ASSI { 1087}
(( segid " A" and resid 33 and name HB1 ))
(( segid " A" and resid 36 and name HB1 ))
4.363 2.643 1.091 peak 1087 weight 1.00000E+00 volume 9.75076E+04 ppm1 2.750 ppm2 4.074
ASSI { 1091}
(( segid " A" and resid 33 and name HN ))
(( segid " A" and resid 36 and name HB1 ))
5.051 3.331 1.263 peak 1091 weight 1.00000E+00 volume 6.51185E+04 ppm1 2.757 ppm2 7.823
ASSI { 1080}
(( segid " A" and resid 33 and name HA ))
(( segid " A" and resid 36 and name HB2 ))
3.832 2.112 0.958 peak 1080 weight 1.00000E+00 volume 2.36820E+05 ppm1 2.642 ppm2 4.210
ASSI { 1246}
( segid " A" and resid 34 and name HD# )
( segid " A" and resid 5 and name HE# )
6.216 4.496 1.554 peak 1246 weight 1.00000E+00 volume 1.05863E+05 ppm1 0.815 ppm2 6.659
ASSI { 1161}
( segid " A" and resid 34 and name HD# )
( segid " A" and resid 9 and name HE# )
4.114 2.394 1.028 peak 1161 weight 1.00000E+00 volume 9.84968E+05 ppm1 1.673 ppm2 0.815
ASSI { 1233}
( segid " A" and resid 34 and name HD# )
(( segid " A" and resid 9 and name HA ))
4.740 3.020 1.185 peak 1233 weight 1.00000E+00 volume 2.29193E+05 ppm1 0.812 ppm2 4.155
ASSI { 498}
( segid " A" and resid 34 and name HD# )
(( segid " A" and resid 9 and name HB1 ))
4.661 2.941 1.165 peak 498 weight 1.00000E+00 volume 3.40543E+05 ppm1 1.907 ppm2 0.800
ASSI { 1506}
( segid " A" and resid 34 and name HD# )
( segid " A" and resid 12 and name HB# )
4.300 2.580 1.075 peak 1506 weight 1.00000E+00 volume 1.33435E+06 ppm1 0.809 ppm2 1.416
ASSI { 327}
( segid " A" and resid 34 and name HD# )
( segid " A" and resid 12 and name HB# )
3.939 2.219 0.985 peak 327 weight 1.00000E+00 volume 3.19093E+06 ppm1 1.412 ppm2 0.818
OR { 327}
( segid " A" and resid 45 and name HD1#)
( segid " A" and resid 12 and name HB# )
OR { 327}
( segid " A" and resid 45 and name HD2#)
( segid " A" and resid 12 and name HB# )
ASSI { 1235}
( segid " A" and resid 34 and name HD# )
(( segid " A" and resid 30 and name HB2 ))
5.164 3.444 1.291 peak 1235 weight 1.00000E+00 volume 1.41774E+05 ppm1 0.815 ppm2 3.029
ASSI { 1252}
(( segid " A" and resid 34 and name HB2 ))
(( segid " A" and resid 31 and name HA ))
4.340 2.620 1.085 peak 1252 weight 1.00000E+00 volume 1.13891E+05 ppm1 3.543 ppm2 1.783
ASSI { 1250}
(( segid " A" and resid 34 and name HB1 ))
(( segid " A" and resid 31 and name HA ))
5.363 3.643 1.341 peak 1250 weight 1.00000E+00 volume 4.47921E+04 ppm1 1.710 ppm2 3.548
ASSI { 999}
( segid " A" and resid 34 and name HD# )
(( segid " A" and resid 31 and name HA ))
4.672 2.952 1.168 peak 999 weight 1.00000E+00 volume 3.42216E+05 ppm1 0.811 ppm2 3.551
ASSI { 188}
(( segid " A" and resid 34 and name HN ))
(( segid " A" and resid 31 and name HN ))
4.117 2.397 1.029 peak 188 weight 1.00000E+00 volume 7.32810E+04 ppm1 8.320 ppm2 8.101
ASSI { 704}
(( segid " A" and resid 34 and name HN ))
(( segid " A" and resid 31 and name HA ))
4.568 2.848 1.142 peak 704 weight 1.00000E+00 volume 2.62110E+04 ppm1 8.083 ppm2 3.549
ASSI { 203}
( segid " A" and resid 34 and name HD# )
(( segid " A" and resid 31 and name HN ))
4.652 2.932 1.163 peak 203 weight 1.00000E+00 volume 1.28901E+05 ppm1 8.329 ppm2 0.819
ASSI { 350}
(( segid " A" and resid 34 and name HN ))
(( segid " A" and resid 33 and name HB1 ))
4.250 2.530 1.063 peak 350 weight 1.00000E+00 volume 6.72520E+04 ppm1 8.084 ppm2 4.045
ASSI { 351}
(( segid " A" and resid 34 and name HN ))
(( segid " A" and resid 33 and name HB2 ))
4.411 2.691 1.103 peak 351 weight 1.00000E+00 volume 5.27481E+04 ppm1 8.084 ppm2 3.934
ASSI { 348}
(( segid " A" and resid 34 and name HN ))
(( segid " A" and resid 33 and name HN ))
3.825 2.105 0.956 peak 348 weight 1.00000E+00 volume 1.28039E+05 ppm1 8.086 ppm2 7.814
ASSI { 997}
(( segid " A" and resid 34 and name HB2 ))
(( segid " A" and resid 34 and name HA ))
3.967 2.247 0.992 peak 997 weight 1.00000E+00 volume 2.58071E+05 ppm1 3.696 ppm2 1.800
ASSI { 996}
(( segid " A" and resid 34 and name HB1 ))
(( segid " A" and resid 34 and name HA ))
3.584 1.864 0.896 peak 996 weight 1.00000E+00 volume 6.14806E+05 ppm1 3.698 ppm2 1.679
ASSI { 620}
( segid " A" and resid 34 and name HD# )
(( segid " A" and resid 34 and name HA ))
3.605 1.885 0.901 peak 620 weight 1.00000E+00 volume 1.15989E+06 ppm1 3.694 ppm2 0.804
ASSI { 356}
(( segid " A" and resid 34 and name HN ))
( segid " A" and resid 34 and name HD# )
4.688 2.968 1.172 peak 356 weight 1.00000E+00 volume 1.25585E+05 ppm1 8.085 ppm2 0.811
ASSI { 354}
(( segid " A" and resid 34 and name HN ))
(( segid " A" and resid 34 and name HB1 ))
3.697 1.977 0.924 peak 354 weight 1.00000E+00 volume 1.70889E+05 ppm1 8.086 ppm2 1.671
ASSI { 353}
(( segid " A" and resid 34 and name HN ))
(( segid " A" and resid 34 and name HB2 ))
4.266 2.546 1.066 peak 353 weight 1.00000E+00 volume 6.32327E+04 ppm1 8.086 ppm2 1.800
ASSI { 352}
(( segid " A" and resid 34 and name HN ))
(( segid " A" and resid 34 and name HA ))
4.032 2.312 1.008 peak 352 weight 1.00000E+00 volume 1.03357E+05 ppm1 8.084 ppm2 3.692
ASSI { 740}
( segid " A" and resid 34 and name HD# )
( segid " A" and resid 41 and name HB# )
3.632 1.912 0.908 peak 740 weight 1.00000E+00 volume 9.37447E+05 ppm1 3.760 ppm2 0.808
ASSI { 741}
(( segid " A" and resid 34 and name HB1 ))
( segid " A" and resid 41 and name HB# )
4.628 2.908 1.157 peak 741 weight 1.00000E+00 volume 1.16440E+05 ppm1 3.758 ppm2 1.686
ASSI { 357}
(( segid " A" and resid 34 and name HN ))
( segid " A" and resid 44 and name HD1#)
4.786 3.066 1.197 peak 357 weight 1.00000E+00 volume 1.13265E+05 ppm1 8.084 ppm2 0.755
ASSI { 666}
(( segid " A" and resid 34 and name HB1 ))
( segid " A" and resid 44 and name HD1#)
4.275 2.555 1.069 peak 666 weight 1.00000E+00 volume 6.98263E+05 ppm1 0.752 ppm2 1.683
ASSI { 355}
(( segid " A" and resid 34 and name HN ))
( segid " A" and resid 44 and name HD2#)
4.897 3.177 1.224 peak 355 weight 1.00000E+00 volume 3.25799E+04 ppm1 8.086 ppm2 1.040
ASSI { 1088}
(( segid " A" and resid 36 and name HB1 ))
(( segid " A" and resid 32 and name HA ))
5.354 3.634 1.339 peak 1088 weight 1.00000E+00 volume 5.64707E+04 ppm1 2.748 ppm2 3.948
ASSI { 1089}
(( segid " A" and resid 36 and name HB2 ))
(( segid " A" and resid 32 and name HA ))
5.388 3.668 1.347 peak 1089 weight 1.00000E+00 volume 5.67976E+04 ppm1 2.641 ppm2 3.942
ASSI { 1083}
(( segid " A" and resid 36 and name HB1 ))
(( segid " A" and resid 36 and name HA ))
3.355 1.635 0.839 peak 1083 weight 1.00000E+00 volume 3.11356E+05 ppm1 2.749 ppm2 4.414
ASSI { 1082}
(( segid " A" and resid 36 and name HB2 ))
(( segid " A" and resid 36 and name HA ))
3.532 1.812 0.883 peak 1082 weight 1.00000E+00 volume 3.45477E+05 ppm1 2.645 ppm2 4.414
ASSI { 1078}
(( segid " A" and resid 36 and name HB1 ))
(( segid " A" and resid 36 and name HN ))
3.686 1.966 0.921 peak 1078 weight 1.00000E+00 volume 3.03756E+05 ppm1 2.750 ppm2 8.073
ASSI { 1079}
(( segid " A" and resid 36 and name HB2 ))
(( segid " A" and resid 36 and name HN ))
3.875 2.155 0.969 peak 1079 weight 1.00000E+00 volume 2.86795E+05 ppm1 2.645 ppm2 8.066
ASSI { 1092}
(( segid " A" and resid 36 and name HN ))
(( segid " A" and resid 36 and name HA ))
3.754 2.034 0.938 peak 1092 weight 1.00000E+00 volume 2.96816E+05 ppm1 4.405 ppm2 8.068
ASSI { 708}
(( segid " A" and resid 37 and name HN ))
( segid " A" and resid 9 and name HE# )
6.240 4.520 1.560 peak 708 weight 1.00000E+00 volume 3.20438E+04 ppm1 7.452 ppm2 1.668
ASSI { 317}
(( segid " A" and resid 37 and name HN ))
(( segid " A" and resid 33 and name HA ))
4.467 2.747 1.117 peak 317 weight 1.00000E+00 volume 5.94033E+04 ppm1 7.450 ppm2 4.206
ASSI { 1241}
(( segid " A" and resid 37 and name HN ))
(( segid " A" and resid 34 and name HA ))
4.849 3.129 1.212 peak 1241 weight 1.00000E+00 volume 8.19210E+04 ppm1 3.698 ppm2 7.457
ASSI { 322}
(( segid " A" and resid 37 and name HN ))
(( segid " A" and resid 36 and name HB2 ))
3.736 2.016 0.934 peak 322 weight 1.00000E+00 volume 1.76609E+05 ppm1 7.452 ppm2 2.640
ASSI { 321}
(( segid " A" and resid 37 and name HN ))
(( segid " A" and resid 36 and name HB1 ))
3.688 1.968 0.922 peak 321 weight 1.00000E+00 volume 1.75249E+05 ppm1 7.452 ppm2 2.750
ASSI { 316}
(( segid " A" and resid 37 and name HN ))
(( segid " A" and resid 36 and name HA ))
3.743 2.023 0.936 peak 316 weight 1.00000E+00 volume 1.60195E+05 ppm1 7.453 ppm2 4.409
ASSI { 325}
(( segid " A" and resid 37 and name HN ))
(( segid " A" and resid 36 and name HN ))
3.608 1.888 0.902 peak 325 weight 1.00000E+00 volume 1.88708E+05 ppm1 7.452 ppm2 8.070
ASSI { 323}
(( segid " A" and resid 37 and name HB2 ))
(( segid " A" and resid 37 and name HN ))
3.691 1.971 0.923 peak 323 weight 1.00000E+00 volume 1.72859E+05 ppm1 7.452 ppm2 2.492
ASSI { 1070}
(( segid " A" and resid 37 and name HB1 ))
(( segid " A" and resid 37 and name HA ))
5.269 3.549 1.317 peak 1070 weight 1.00000E+00 volume 5.70174E+04 ppm1 2.939 ppm2 4.834
ASSI { 1069}
(( segid " A" and resid 37 and name HB2 ))
(( segid " A" and resid 37 and name HA ))
5.339 3.619 1.335 peak 1069 weight 1.00000E+00 volume 4.18165E+04 ppm1 2.506 ppm2 4.832
ASSI { 188}
(( segid " A" and resid 37 and name HB1 ))
(( segid " A" and resid 37 and name HB2 ))
3.101 1.381 0.775 peak 188 weight 1.00000E+00 volume 1.27923E+06 ppm1 2.497 ppm2 2.925
ASSI { 320}
(( segid " A" and resid 37 and name HB1 ))
(( segid " A" and resid 37 and name HN ))
3.736 2.016 0.934 peak 320 weight 1.00000E+00 volume 1.61272E+05 ppm1 7.452 ppm2 2.928
ASSI { 315}
(( segid " A" and resid 37 and name HN ))
(( segid " A" and resid 37 and name HA ))
3.705 1.985 0.926 peak 315 weight 1.00000E+00 volume 1.78238E+05 ppm1 7.451 ppm2 4.828
ASSI { 185}
(( segid " A" and resid 37 and name HB2 ))
(( segid " A" and resid 38 and name HD1 ))
4.843 3.123 1.211 peak 185 weight 1.00000E+00 volume 8.45215E+04 ppm1 3.613 ppm2 2.473
ASSI { 191}
(( segid " A" and resid 37 and name HB1 ))
(( segid " A" and resid 38 and name HD1 ))
4.873 3.153 1.218 peak 191 weight 1.00000E+00 volume 8.42190E+04 ppm1 2.921 ppm2 3.600
ASSI { 190}
(( segid " A" and resid 37 and name HB1 ))
(( segid " A" and resid 38 and name HD2 ))
4.577 2.857 1.144 peak 190 weight 1.00000E+00 volume 1.09186E+05 ppm1 2.924 ppm2 3.738
ASSI { 186}
(( segid " A" and resid 37 and name HB2 ))
(( segid " A" and resid 38 and name HD2 ))
4.748 3.028 1.187 peak 186 weight 1.00000E+00 volume 8.56967E+04 ppm1 3.717 ppm2 2.484
ASSI { 319}
(( segid " A" and resid 37 and name HN ))
(( segid " A" and resid 38 and name HD1 ))
3.923 2.203 0.981 peak 319 weight 1.00000E+00 volume 1.22573E+05 ppm1 7.450 ppm2 3.603
ASSI { 318}
(( segid " A" and resid 37 and name HN ))
(( segid " A" and resid 38 and name HD2 ))
3.732 2.012 0.933 peak 318 weight 1.00000E+00 volume 1.59512E+05 ppm1 7.451 ppm2 3.704
ASSI { 310}
(( segid " A" and resid 37 and name HB2 ))
(( segid " A" and resid 39 and name HN ))
4.652 2.932 1.163 peak 310 weight 1.00000E+00 volume 4.30279E+04 ppm1 8.059 ppm2 2.471
ASSI { 1329}
(( segid " A" and resid 38 and name HD1 ))
( segid " A" and resid 4 and name HE# )
5.265 3.545 1.316 peak 1329 weight 1.00000E+00 volume 8.50401E+04 ppm1 2.818 ppm2 3.615
ASSI { 1523}
(( segid " A" and resid 38 and name HD2 ))
( segid " A" and resid 4 and name HE# )
5.990 4.270 1.498 peak 1523 weight 1.00000E+00 volume 4.21035E+04 ppm1 2.818 ppm2 3.695
ASSI { 1171}
(( segid " A" and resid 38 and name HD2 ))
( segid " A" and resid 9 and name HE# )
5.142 3.422 1.285 peak 1171 weight 1.00000E+00 volume 2.22338E+05 ppm1 1.674 ppm2 3.729
ASSI { 167}
(( segid " A" and resid 38 and name HA ))
( segid " A" and resid 9 and name HE# )
5.350 3.630 1.338 peak 167 weight 1.00000E+00 volume 1.18674E+05 ppm1 4.407 ppm2 1.681
ASSI { 173}
(( segid " A" and resid 38 and name HA ))
( segid " A" and resid 34 and name HD# )
5.102 3.382 1.275 peak 173 weight 1.00000E+00 volume 2.18569E+05 ppm1 4.407 ppm2 0.796
ASSI { 187}
(( segid " A" and resid 38 and name HA ))
(( segid " A" and resid 38 and name HD1 ))
4.321 2.601 1.080 peak 187 weight 1.00000E+00 volume 1.47322E+05 ppm1 3.615 ppm2 4.397
ASSI { 785}
(( segid " A" and resid 38 and name HA ))
(( segid " A" and resid 38 and name HD2 ))
4.368 2.648 1.092 peak 785 weight 1.00000E+00 volume 1.37277E+05 ppm1 3.724 ppm2 4.405
ASSI { 299}
(( segid " A" and resid 38 and name HA ))
(( segid " A" and resid 41 and name HN ))
4.328 2.608 1.082 peak 299 weight 1.00000E+00 volume 3.45236E+04 ppm1 7.517 ppm2 4.406
ASSI { 302}
(( segid " A" and resid 39 and name HN ))
(( segid " A" and resid 37 and name HA ))
4.817 3.097 1.204 peak 302 weight 1.00000E+00 volume 3.54966E+04 ppm1 8.067 ppm2 4.828
ASSI { 309}
(( segid " A" and resid 39 and name HN ))
(( segid " A" and resid 38 and name HD1 ))
4.667 2.947 1.167 peak 309 weight 1.00000E+00 volume 4.09419E+04 ppm1 8.064 ppm2 3.609
ASSI { 308}
(( segid " A" and resid 39 and name HN ))
(( segid " A" and resid 38 and name HD2 ))
4.027 2.307 1.007 peak 308 weight 1.00000E+00 volume 9.22380E+04 ppm1 8.065 ppm2 3.728
ASSI { 304}
(( segid " A" and resid 39 and name HN ))
(( segid " A" and resid 38 and name HA ))
4.854 3.134 1.214 peak 304 weight 1.00000E+00 volume 4.58057E+04 ppm1 8.069 ppm2 4.404
ASSI { 307}
(( segid " A" and resid 39 and name HN ))
(( segid " A" and resid 39 and name HB1 ))
3.701 1.981 0.925 peak 307 weight 1.00000E+00 volume 1.48600E+05 ppm1 8.063 ppm2 3.841
ASSI { 306}
(( segid " A" and resid 39 and name HN ))
(( segid " A" and resid 39 and name HB2 ))
3.637 1.917 0.909 peak 306 weight 1.00000E+00 volume 1.67579E+05 ppm1 8.064 ppm2 3.892
ASSI { 303}
(( segid " A" and resid 39 and name HN ))
(( segid " A" and resid 39 and name HA ))
4.353 2.633 1.088 peak 303 weight 1.00000E+00 volume 8.74580E+04 ppm1 8.064 ppm2 4.692
ASSI { 278}
(( segid " A" and resid 39 and name HN ))
(( segid " A" and resid 41 and name HN ))
4.299 2.579 1.075 peak 278 weight 1.00000E+00 volume 5.43400E+04 ppm1 7.515 ppm2 8.060
ASSI { 295}
(( segid " A" and resid 40 and name HN ))
( segid " A" and resid 34 and name HD# )
5.502 3.782 1.376 peak 295 weight 1.00000E+00 volume 4.83182E+04 ppm1 7.838 ppm2 0.811
ASSI { 1072}
(( segid " A" and resid 40 and name HB1 ))
(( segid " A" and resid 37 and name HB1 ))
4.611 2.891 1.153 peak 1072 weight 1.00000E+00 volume 6.91183E+04 ppm1 2.931 ppm2 1.954
ASSI { 195}
(( segid " A" and resid 40 and name HB1 ))
(( segid " A" and resid 37 and name HB2 ))
4.878 3.158 1.220 peak 195 weight 1.00000E+00 volume 9.18634E+04 ppm1 2.497 ppm2 1.945
ASSI { 763}
(( segid " A" and resid 40 and name HG1 ))
(( segid " A" and resid 37 and name HB1 ))
4.500 2.780 1.125 peak 763 weight 1.00000E+00 volume 1.54750E+05 ppm1 2.230 ppm2 2.928
ASSI { 194}
(( segid " A" and resid 40 and name HG1 ))
(( segid " A" and resid 37 and name HB2 ))
4.722 3.002 1.181 peak 194 weight 1.00000E+00 volume 9.41415E+04 ppm1 2.496 ppm2 2.231
ASSI { 290}
(( segid " A" and resid 40 and name HN ))
(( segid " A" and resid 37 and name HB2 ))
4.560 2.840 1.140 peak 290 weight 1.00000E+00 volume 4.47540E+04 ppm1 7.841 ppm2 2.489
ASSI { 601}
(( segid " A" and resid 40 and name HE22))
(( segid " A" and resid 37 and name HB1 ))
4.558 2.838 1.140 peak 601 weight 1.00000E+00 volume 3.59947E+04 ppm1 7.506 ppm2 2.924
ASSI { 287}
(( segid " A" and resid 40 and name HN ))
(( segid " A" and resid 37 and name HB1 ))
4.821 3.101 1.205 peak 287 weight 1.00000E+00 volume 4.10231E+04 ppm1 7.842 ppm2 2.928
ASSI { 596}
(( segid " A" and resid 40 and name HE21))
(( segid " A" and resid 37 and name HB1 ))
4.860 3.140 1.215 peak 596 weight 1.00000E+00 volume 3.32849E+04 ppm1 6.774 ppm2 2.903
ASSI { 281}
(( segid " A" and resid 40 and name HN ))
(( segid " A" and resid 38 and name HA ))
4.754 3.034 1.188 peak 281 weight 1.00000E+00 volume 4.08123E+04 ppm1 7.840 ppm2 4.410
ASSI { 279}
(( segid " A" and resid 40 and name HN ))
(( segid " A" and resid 39 and name HA ))
4.767 3.047 1.192 peak 279 weight 1.00000E+00 volume 4.83219E+04 ppm1 7.840 ppm2 4.688
ASSI { 311}
(( segid " A" and resid 40 and name HG2 ))
(( segid " A" and resid 39 and name HN ))
4.654 2.934 1.163 peak 311 weight 1.00000E+00 volume 4.31246E+04 ppm1 8.062 ppm2 2.394
ASSI { 285}
(( segid " A" and resid 40 and name HN ))
(( segid " A" and resid 39 and name HB1 ))
4.116 2.396 1.029 peak 285 weight 1.00000E+00 volume 8.33572E+04 ppm1 7.837 ppm2 3.823
ASSI { 284}
(( segid " A" and resid 40 and name HN ))
(( segid " A" and resid 39 and name HB2 ))
4.300 2.580 1.075 peak 284 weight 1.00000E+00 volume 6.75730E+04 ppm1 7.832 ppm2 3.894
ASSI { 312}
(( segid " A" and resid 40 and name HG1 ))
(( segid " A" and resid 39 and name HN ))
4.926 3.206 1.231 peak 312 weight 1.00000E+00 volume 3.92317E+04 ppm1 8.065 ppm2 2.226
ASSI { 297}
(( segid " A" and resid 40 and name HN ))
(( segid " A" and resid 39 and name HN ))
3.339 1.619 0.835 peak 297 weight 1.00000E+00 volume 3.47979E+05 ppm1 7.838 ppm2 8.062
ASSI { 756}
(( segid " A" and resid 40 and name HG2 ))
(( segid " A" and resid 40 and name HA ))
4.934 3.214 1.234 peak 756 weight 1.00000E+00 volume 7.93961E+04 ppm1 2.386 ppm2 4.580
ASSI { 606}
(( segid " A" and resid 40 and name HE22))
(( segid " A" and resid 40 and name HB1 ))
4.605 2.885 1.151 peak 606 weight 1.00000E+00 volume 4.59747E+04 ppm1 7.517 ppm2 1.930
ASSI { 280}
(( segid " A" and resid 40 and name HN ))
(( segid " A" and resid 40 and name HA ))
3.588 1.868 0.897 peak 280 weight 1.00000E+00 volume 2.32719E+05 ppm1 7.839 ppm2 4.578
ASSI { 598}
(( segid " A" and resid 40 and name HE21))
(( segid " A" and resid 40 and name HG2 ))
3.716 1.996 0.929 peak 598 weight 1.00000E+00 volume 2.07252E+05 ppm1 6.776 ppm2 2.382
ASSI { 748}
(( segid " A" and resid 40 and name HG2 ))
(( segid " A" and resid 40 and name HB1 ))
3.328 1.608 0.832 peak 748 weight 1.00000E+00 volume 4.75308E+05 ppm1 1.933 ppm2 2.380
ASSI { 289}
(( segid " A" and resid 40 and name HB2 ))
(( segid " A" and resid 40 and name HN ))
3.616 1.896 0.904 peak 289 weight 1.00000E+00 volume 2.04110E+05 ppm1 7.838 ppm2 2.597
ASSI { 754}
(( segid " A" and resid 40 and name HB1 ))
(( segid " A" and resid 40 and name HA ))
5.089 3.369 1.272 peak 754 weight 1.00000E+00 volume 7.60239E+04 ppm1 1.935 ppm2 4.586
ASSI { 757}
(( segid " A" and resid 40 and name HG1 ))
(( segid " A" and resid 40 and name HA ))
5.007 3.287 1.252 peak 757 weight 1.00000E+00 volume 9.37646E+04 ppm1 2.233 ppm2 4.577
ASSI { 293}
(( segid " A" and resid 40 and name HB1 ))
(( segid " A" and resid 40 and name HN ))
3.322 1.602 0.831 peak 293 weight 1.00000E+00 volume 3.09772E+05 ppm1 7.837 ppm2 1.929
ASSI { 752}
(( segid " A" and resid 40 and name HB2 ))
(( segid " A" and resid 40 and name HA ))
4.439 2.719 1.110 peak 752 weight 1.00000E+00 volume 1.58400E+05 ppm1 4.582 ppm2 2.625
ASSI { 744}
(( segid " A" and resid 40 and name HG1 ))
(( segid " A" and resid 40 and name HB2 ))
3.576 1.856 0.894 peak 744 weight 1.00000E+00 volume 2.89439E+05 ppm1 2.598 ppm2 2.231
ASSI { 747}
(( segid " A" and resid 40 and name HB1 ))
(( segid " A" and resid 40 and name HB2 ))
3.563 1.843 0.891 peak 747 weight 1.00000E+00 volume 5.12168E+05 ppm1 1.935 ppm2 2.594
ASSI { 599}
(( segid " A" and resid 40 and name HE21))
(( segid " A" and resid 40 and name HG1 ))
3.471 1.751 0.868 peak 599 weight 1.00000E+00 volume 2.92223E+05 ppm1 6.775 ppm2 2.230
ASSI { 743}
(( segid " A" and resid 40 and name HG2 ))
(( segid " A" and resid 40 and name HB2 ))
3.418 1.698 0.854 peak 743 weight 1.00000E+00 volume 3.49390E+05 ppm1 2.597 ppm2 2.386
ASSI { 753}
(( segid " A" and resid 40 and name HG1 ))
(( segid " A" and resid 40 and name HG2 ))
2.817 1.097 0.704 peak 753 weight 1.00000E+00 volume 1.96164E+06 ppm1 2.231 ppm2 2.386
ASSI { 602}
(( segid " A" and resid 40 and name HE22))
(( segid " A" and resid 40 and name HB2 ))
4.675 2.955 1.169 peak 602 weight 1.00000E+00 volume 4.02366E+04 ppm1 7.514 ppm2 2.599
ASSI { 749}
(( segid " A" and resid 40 and name HG1 ))
(( segid " A" and resid 40 and name HB1 ))
3.279 1.559 0.820 peak 749 weight 1.00000E+00 volume 4.67556E+05 ppm1 1.937 ppm2 2.240
ASSI { 291}
(( segid " A" and resid 40 and name HG2 ))
(( segid " A" and resid 40 and name HN ))
3.582 1.862 0.895 peak 291 weight 1.00000E+00 volume 2.37508E+05 ppm1 7.838 ppm2 2.385
ASSI { 597}
(( segid " A" and resid 40 and name HE21))
(( segid " A" and resid 40 and name HB2 ))
4.816 3.096 1.204 peak 597 weight 1.00000E+00 volume 4.78264E+04 ppm1 6.774 ppm2 2.598
ASSI { 594}
(( segid " A" and resid 40 and name HE22))
(( segid " A" and resid 40 and name HA ))
4.500 2.780 1.125 peak 594 weight 1.00000E+00 volume 5.33809E+04 ppm1 7.514 ppm2 4.575
ASSI { 292}
(( segid " A" and resid 40 and name HG1 ))
(( segid " A" and resid 40 and name HN ))
3.572 1.852 0.893 peak 292 weight 1.00000E+00 volume 2.30496E+05 ppm1 7.838 ppm2 2.230
ASSI { 604}
(( segid " A" and resid 40 and name HE22))
(( segid " A" and resid 40 and name HG2 ))
3.744 2.024 0.936 peak 604 weight 1.00000E+00 volume 1.92968E+05 ppm1 7.514 ppm2 2.384
ASSI { 600}
(( segid " A" and resid 40 and name HE21))
(( segid " A" and resid 40 and name HB1 ))
4.903 3.183 1.226 peak 600 weight 1.00000E+00 volume 3.79365E+04 ppm1 6.779 ppm2 1.939
ASSI { 605}
(( segid " A" and resid 40 and name HE22))
(( segid " A" and resid 40 and name HG1 ))
3.546 1.826 0.887 peak 605 weight 1.00000E+00 volume 2.48749E+05 ppm1 7.514 ppm2 2.231
ASSI { 595}
(( segid " A" and resid 40 and name HE21))
(( segid " A" and resid 40 and name HA ))
4.250 2.530 1.063 peak 595 weight 1.00000E+00 volume 8.73366E+04 ppm1 6.776 ppm2 4.575
ASSI { 592}
(( segid " A" and resid 40 and name HE22))
(( segid " A" and resid 40 and name HE21))
2.302 0.582 0.575 peak 592 weight 1.00000E+00 volume 3.56772E+06 ppm1 6.776 ppm2 7.508
ASSI { 270}
(( segid " A" and resid 40 and name HB1 ))
(( segid " A" and resid 41 and name HN ))
4.653 2.933 1.163 peak 270 weight 1.00000E+00 volume 5.88955E+04 ppm1 7.520 ppm2 1.940
ASSI { 706}
(( segid " A" and resid 40 and name HG2 ))
(( segid " A" and resid 41 and name HN ))
4.725 3.005 1.181 peak 706 weight 1.00000E+00 volume 2.72983E+04 ppm1 7.516 ppm2 2.396
ASSI { 267}
(( segid " A" and resid 40 and name HA ))
(( segid " A" and resid 41 and name HN ))
4.120 2.400 1.030 peak 267 weight 1.00000E+00 volume 9.52818E+04 ppm1 7.519 ppm2 4.578
ASSI { 276}
(( segid " A" and resid 40 and name HN ))
(( segid " A" and resid 41 and name HN ))
3.316 1.596 0.829 peak 276 weight 1.00000E+00 volume 2.32253E+05 ppm1 7.516 ppm2 7.835
ASSI { 705}
(( segid " A" and resid 40 and name HB2 ))
(( segid " A" and resid 41 and name HN ))
4.313 2.593 1.078 peak 705 weight 1.00000E+00 volume 4.39895E+04 ppm1 7.514 ppm2 2.594
ASSI { 298}
(( segid " A" and resid 40 and name HN ))
(( segid " A" and resid 42 and name HN ))
4.660 2.940 1.165 peak 298 weight 1.00000E+00 volume 4.76507E+04 ppm1 7.845 ppm2 8.458
ASSI { 260}
(( segid " A" and resid 40 and name HA ))
(( segid " A" and resid 42 and name HN ))
4.584 2.864 1.146 peak 260 weight 1.00000E+00 volume 5.61688E+04 ppm1 8.460 ppm2 4.575
ASSI { 770}
(( segid " A" and resid 40 and name HB2 ))
( segid " A" and resid 43 and name HB# )
4.849 3.129 1.212 peak 770 weight 1.00000E+00 volume 1.01348E+05 ppm1 2.598 ppm2 2.842
ASSI { 764}
(( segid " A" and resid 40 and name HG1 ))
( segid " A" and resid 43 and name HB# )
4.693 2.973 1.173 peak 764 weight 1.00000E+00 volume 9.07216E+04 ppm1 2.232 ppm2 2.848
ASSI { 703}
(( segid " A" and resid 40 and name HB1 ))
( segid " A" and resid 43 and name HB# )
4.416 2.696 1.104 peak 703 weight 1.00000E+00 volume 1.35030E+05 ppm1 2.846 ppm2 1.931
ASSI { 745}
(( segid " A" and resid 40 and name HB2 ))
(( segid " A" and resid 44 and name HG ))
4.246 2.526 1.061 peak 745 weight 1.00000E+00 volume 1.81655E+05 ppm1 2.597 ppm2 1.811
ASSI { 650}
(( segid " A" and resid 40 and name HB2 ))
( segid " A" and resid 44 and name HD2#)
5.683 3.963 1.421 peak 650 weight 1.00000E+00 volume 1.67041E+05 ppm1 1.041 ppm2 2.600
ASSI { 664}
(( segid " A" and resid 40 and name HB1 ))
( segid " A" and resid 44 and name HD1#)
4.535 2.815 1.134 peak 664 weight 1.00000E+00 volume 5.07155E+05 ppm1 0.751 ppm2 1.920
ASSI { 661}
(( segid " A" and resid 40 and name HB2 ))
( segid " A" and resid 44 and name HD1#)
5.015 3.295 1.254 peak 661 weight 1.00000E+00 volume 2.86756E+05 ppm1 0.751 ppm2 2.597
ASSI { 687}
(( segid " A" and resid 40 and name HN ))
( segid " A" and resid 44 and name HD2#)
5.041 3.321 1.260 peak 687 weight 1.00000E+00 volume 3.17880E+05 ppm1 1.041 ppm2 7.845
ASSI { 768}
(( segid " A" and resid 40 and name HG2 ))
(( segid " A" and resid 44 and name HG ))
3.895 2.175 0.974 peak 768 weight 1.00000E+00 volume 3.05521E+05 ppm1 2.387 ppm2 1.808
ASSI { 662}
(( segid " A" and resid 40 and name HG2 ))
( segid " A" and resid 44 and name HD1#)
5.266 3.546 1.317 peak 662 weight 1.00000E+00 volume 1.40285E+05 ppm1 0.750 ppm2 2.388
ASSI { 639}
(( segid " A" and resid 40 and name HB1 ))
(( segid " A" and resid 44 and name HG ))
4.195 2.475 1.049 peak 639 weight 1.00000E+00 volume 2.02520E+05 ppm1 1.796 ppm2 1.921
ASSI { 765}
(( segid " A" and resid 40 and name HG1 ))
(( segid " A" and resid 44 and name HG ))
3.825 2.105 0.956 peak 765 weight 1.00000E+00 volume 1.60171E+05 ppm1 2.225 ppm2 1.821
ASSI { 766}
(( segid " A" and resid 40 and name HG1 ))
( segid " A" and resid 44 and name HD1#)
5.353 3.633 1.338 peak 766 weight 1.00000E+00 volume 1.26824E+05 ppm1 2.228 ppm2 0.748
ASSI { 1450}
( segid " A" and resid 41 and name HB# )
(( segid " A" and resid 9 and name HA ))
4.139 2.419 1.035 peak 1450 weight 1.00000E+00 volume 1.87600E+05 ppm1 4.152 ppm2 3.766
ASSI { 1096}
( segid " A" and resid 41 and name HB# )
( segid " A" and resid 12 and name HB# )
4.098 2.378 1.024 peak 1096 weight 1.00000E+00 volume 3.12662E+05 ppm1 1.412 ppm2 3.760
ASSI { 742}
(( segid " A" and resid 41 and name HB1 ))
( segid " A" and resid 12 and name HB# )
4.506 2.786 1.127 peak 742 weight 1.00000E+00 volume 3.57196E+05 ppm1 3.760 ppm2 1.402
ASSI { 273}
(( segid " A" and resid 41 and name HN ))
( segid " A" and resid 34 and name HD# )
4.807 3.087 1.202 peak 273 weight 1.00000E+00 volume 1.18196E+05 ppm1 7.516 ppm2 0.813
ASSI { 266}
(( segid " A" and resid 41 and name HN ))
(( segid " A" and resid 39 and name HA ))
4.690 2.970 1.172 peak 266 weight 1.00000E+00 volume 4.84078E+04 ppm1 7.520 ppm2 4.689
ASSI { 734}
(( segid " A" and resid 41 and name HN ))
( segid " A" and resid 41 and name HB# )
3.673 1.953 0.918 peak 734 weight 1.00000E+00 volume 4.24660E+05 ppm1 3.756 ppm2 7.518
ASSI { 269}
(( segid " A" and resid 41 and name HN ))
(( segid " A" and resid 41 and name HA ))
3.206 1.486 0.801 peak 269 weight 1.00000E+00 volume 3.88394E+05 ppm1 7.517 ppm2 3.752
OR { 269}
(( segid " A" and resid 41 and name HN ))
( segid " A" and resid 41 and name HB# )
ASSI { 258}
(( segid " A" and resid 41 and name HN ))
(( segid " A" and resid 42 and name HN ))
3.812 2.092 0.953 peak 258 weight 1.00000E+00 volume 1.30917E+05 ppm1 8.458 ppm2 7.515
ASSI { 272}
(( segid " A" and resid 41 and name HN ))
( segid " A" and resid 42 and name HB# )
5.359 3.639 1.340 peak 272 weight 1.00000E+00 volume 5.05591E+04 ppm1 7.516 ppm2 1.380
ASSI { 633}
(( segid " A" and resid 41 and name HA ))
(( segid " A" and resid 44 and name HB2 ))
4.318 2.598 1.080 peak 633 weight 1.00000E+00 volume 1.66626E+05 ppm1 1.810 ppm2 3.761
OR { 633}
(( segid " A" and resid 44 and name HG ))
(( segid " A" and resid 41 and name HA ))
ASSI { 739}
(( segid " A" and resid 41 and name HA ))
(( segid " A" and resid 44 and name HB2 ))
4.360 2.640 1.090 peak 739 weight 1.00000E+00 volume 1.80760E+05 ppm1 3.764 ppm2 1.814
ASSI { 635}
(( segid " A" and resid 41 and name HA ))
(( segid " A" and resid 44 and name HB1 ))
4.423 2.703 1.106 peak 635 weight 1.00000E+00 volume 1.54781E+05 ppm1 1.250 ppm2 3.764
ASSI { 271}
(( segid " A" and resid 41 and name HN ))
(( segid " A" and resid 44 and name HG ))
4.626 2.906 1.156 peak 271 weight 1.00000E+00 volume 3.89939E+04 ppm1 7.516 ppm2 1.809
ASSI { 274}
(( segid " A" and resid 41 and name HN ))
( segid " A" and resid 44 and name HD1#)
5.559 3.839 1.390 peak 274 weight 1.00000E+00 volume 5.38563E+04 ppm1 7.517 ppm2 0.760
ASSI { 259}
(( segid " A" and resid 42 and name HN ))
(( segid " A" and resid 39 and name HA ))
4.527 2.807 1.132 peak 259 weight 1.00000E+00 volume 5.74645E+04 ppm1 8.460 ppm2 4.692
ASSI { 738}
(( segid " A" and resid 42 and name HN ))
( segid " A" and resid 41 and name HB# )
4.349 2.629 1.087 peak 738 weight 1.00000E+00 volume 1.42856E+05 ppm1 3.753 ppm2 8.444
ASSI { 331}
(( segid " A" and resid 42 and name HA ))
( segid " A" and resid 41 and name HB# )
3.737 2.017 0.934 peak 331 weight 1.00000E+00 volume 4.33699E+05 ppm1 4.062 ppm2 3.766
ASSI { 263}
(( segid " A" and resid 42 and name HN ))
(( segid " A" and resid 41 and name HA ))
3.376 1.656 0.844 peak 263 weight 1.00000E+00 volume 2.78383E+05 ppm1 8.460 ppm2 3.751
OR { 263}
(( segid " A" and resid 42 and name HN ))
( segid " A" and resid 41 and name HB# )
ASSI { 265}
(( segid " A" and resid 42 and name HN ))
( segid " A" and resid 42 and name HB# )
3.292 1.572 0.823 peak 265 weight 1.00000E+00 volume 1.04979E+06 ppm1 8.460 ppm2 1.374
ASSI { 262}
(( segid " A" and resid 42 and name HA ))
(( segid " A" and resid 42 and name HN ))
3.227 1.507 0.807 peak 262 weight 1.00000E+00 volume 3.96792E+05 ppm1 8.460 ppm2 4.057
ASSI { 330}
(( segid " A" and resid 42 and name HA ))
( segid " A" and resid 42 and name HB# )
3.203 1.483 0.801 peak 330 weight 1.00000E+00 volume 2.74433E+06 ppm1 4.062 ppm2 1.378
ASSI { 706}
( segid " A" and resid 42 and name HB# )
( segid " A" and resid 43 and name HB# )
4.623 2.903 1.156 peak 706 weight 1.00000E+00 volume 3.39068E+05 ppm1 2.845 ppm2 1.383
ASSI { 573}
(( segid " A" and resid 42 and name HA ))
(( segid " A" and resid 45 and name HB2 ))
4.711 2.991 1.178 peak 573 weight 1.00000E+00 volume 8.78750E+04 ppm1 1.533 ppm2 4.061
ASSI { 551}
(( segid " A" and resid 42 and name HA ))
(( segid " A" and resid 45 and name HG ))
4.268 2.548 1.067 peak 551 weight 1.00000E+00 volume 1.48634E+05 ppm1 1.547 ppm2 4.044
ASSI { 722}
(( segid " A" and resid 42 and name HA ))
( segid " A" and resid 45 and name HD2#)
3.650 1.930 0.912 peak 722 weight 1.00000E+00 volume 1.54312E+06 ppm1 4.061 ppm2 0.835
OR { 722}
(( segid " A" and resid 42 and name HA ))
( segid " A" and resid 45 and name HD1#)
ASSI { 732}
(( segid " A" and resid 42 and name HA ))
(( segid " A" and resid 45 and name HN ))
3.982 2.262 0.995 peak 732 weight 1.00000E+00 volume 2.23131E+05 ppm1 4.060 ppm2 8.359
ASSI { 727}
(( segid " A" and resid 42 and name HA ))
(( segid " A" and resid 46 and name HN ))
4.154 2.434 1.039 peak 727 weight 1.00000E+00 volume 2.20587E+05 ppm1 4.059 ppm2 7.551
ASSI { 578}
(( segid " A" and resid 43 and name HD22))
(( segid " A" and resid 40 and name HA ))
4.375 2.655 1.094 peak 578 weight 1.00000E+00 volume 7.52730E+04 ppm1 7.693 ppm2 4.576
ASSI { 583}
(( segid " A" and resid 43 and name HD22))
(( segid " A" and resid 40 and name HG1 ))
4.897 3.177 1.224 peak 583 weight 1.00000E+00 volume 4.97149E+04 ppm1 7.696 ppm2 2.232
ASSI { 590}
(( segid " A" and resid 43 and name HD21))
(( segid " A" and resid 40 and name HG1 ))
5.012 3.292 1.253 peak 590 weight 1.00000E+00 volume 4.03003E+04 ppm1 6.935 ppm2 2.228
ASSI { 582}
(( segid " A" and resid 43 and name HD22))
(( segid " A" and resid 40 and name HG2 ))
4.984 3.264 1.246 peak 582 weight 1.00000E+00 volume 4.32797E+04 ppm1 7.697 ppm2 2.384
ASSI { 581}
(( segid " A" and resid 43 and name HD22))
(( segid " A" and resid 40 and name HB2 ))
4.900 3.180 1.225 peak 581 weight 1.00000E+00 volume 4.09621E+04 ppm1 7.695 ppm2 2.597
ASSI { 229}
(( segid " A" and resid 43 and name HN ))
(( segid " A" and resid 40 and name HA ))
4.076 2.356 1.019 peak 229 weight 1.00000E+00 volume 1.07742E+05 ppm1 7.869 ppm2 4.575
ASSI { 585}
(( segid " A" and resid 43 and name HD21))
(( segid " A" and resid 40 and name HA ))
4.494 2.774 1.124 peak 585 weight 1.00000E+00 volume 6.64541E+04 ppm1 6.936 ppm2 4.579
ASSI { 733}
(( segid " A" and resid 43 and name HN ))
( segid " A" and resid 41 and name HB# )
4.396 2.676 1.099 peak 733 weight 1.00000E+00 volume 1.56138E+05 ppm1 3.761 ppm2 7.877
ASSI { 233}
(( segid " A" and resid 43 and name HN ))
(( segid " A" and resid 41 and name HA ))
4.222 2.502 1.055 peak 233 weight 1.00000E+00 volume 8.18439E+04 ppm1 7.867 ppm2 3.756
ASSI { 227}
(( segid " A" and resid 43 and name HN ))
(( segid " A" and resid 41 and name HN ))
4.172 2.452 1.043 peak 227 weight 1.00000E+00 volume 7.49877E+04 ppm1 7.868 ppm2 7.533
ASSI { 237}
(( segid " A" and resid 43 and name HN ))
( segid " A" and resid 42 and name HB# )
3.646 1.926 0.912 peak 237 weight 1.00000E+00 volume 6.28364E+05 ppm1 7.867 ppm2 1.374
ASSI { 232}
(( segid " A" and resid 43 and name HN ))
(( segid " A" and resid 42 and name HA ))
3.601 1.881 0.900 peak 232 weight 1.00000E+00 volume 1.69117E+05 ppm1 7.867 ppm2 4.057
ASSI { 584}
(( segid " A" and resid 43 and name HD22))
( segid " A" and resid 42 and name HB# )
5.514 3.794 1.378 peak 584 weight 1.00000E+00 volume 5.89154E+04 ppm1 7.697 ppm2 1.378
ASSI { 591}
(( segid " A" and resid 43 and name HD21))
( segid " A" and resid 42 and name HB# )
5.773 4.053 1.443 peak 591 weight 1.00000E+00 volume 3.79960E+04 ppm1 6.941 ppm2 1.377
ASSI { 221}
(( segid " A" and resid 43 and name HN ))
(( segid " A" and resid 42 and name HN ))
3.250 1.530 0.813 peak 221 weight 1.00000E+00 volume 4.52530E+05 ppm1 7.868 ppm2 8.457
ASSI { 699}
(( segid " A" and resid 43 and name HA ))
( segid " A" and resid 43 and name HB# )
3.390 1.670 0.848 peak 699 weight 1.00000E+00 volume 7.67653E+05 ppm1 2.845 ppm2 4.469
ASSI { 230}
(( segid " A" and resid 43 and name HN ))
(( segid " A" and resid 43 and name HA ))
3.220 1.500 0.805 peak 230 weight 1.00000E+00 volume 4.47480E+05 ppm1 7.868 ppm2 4.465
ASSI { 587}
(( segid " A" and resid 43 and name HD21))
( segid " A" and resid 43 and name HB# )
3.118 1.398 0.780 peak 587 weight 1.00000E+00 volume 5.27503E+05 ppm1 6.938 ppm2 2.841
ASSI { 580}
(( segid " A" and resid 43 and name HD22))
( segid " A" and resid 43 and name HB# )
3.026 1.306 0.756 peak 580 weight 1.00000E+00 volume 6.39017E+05 ppm1 7.696 ppm2 2.840
ASSI { 234}
(( segid " A" and resid 43 and name HN ))
( segid " A" and resid 43 and name HB# )
2.861 1.141 0.715 peak 234 weight 1.00000E+00 volume 8.74925E+05 ppm1 7.868 ppm2 2.841
ASSI { 579}
(( segid " A" and resid 43 and name HD22))
(( segid " A" and resid 43 and name HA ))
4.092 2.372 1.023 peak 579 weight 1.00000E+00 volume 1.14022E+05 ppm1 7.696 ppm2 4.464
ASSI { 226}
(( segid " A" and resid 43 and name HD22))
(( segid " A" and resid 43 and name HN ))
3.661 1.941 0.915 peak 226 weight 1.00000E+00 volume 8.88034E+04 ppm1 7.869 ppm2 7.692
ASSI { 586}
(( segid " A" and resid 43 and name HD21))
(( segid " A" and resid 43 and name HA ))
4.190 2.470 1.047 peak 586 weight 1.00000E+00 volume 9.35878E+04 ppm1 6.936 ppm2 4.465
ASSI { 228}
(( segid " A" and resid 43 and name HD21))
(( segid " A" and resid 43 and name HN ))
3.672 1.952 0.918 peak 228 weight 1.00000E+00 volume 6.80472E+04 ppm1 7.868 ppm2 6.934
ASSI { 570}
(( segid " A" and resid 43 and name HD22))
(( segid " A" and resid 43 and name HD21))
2.249 0.529 0.562 peak 570 weight 1.00000E+00 volume 4.69690E+06 ppm1 7.696 ppm2 6.936
ASSI { 238}
(( segid " A" and resid 43 and name HN ))
( segid " A" and resid 44 and name HD2#)
6.059 4.339 1.515 peak 238 weight 1.00000E+00 volume 5.28453E+04 ppm1 7.865 ppm2 1.040
ASSI { 220}
(( segid " A" and resid 43 and name HN ))
(( segid " A" and resid 44 and name HN ))
3.313 1.593 0.828 peak 220 weight 1.00000E+00 volume 3.54791E+05 ppm1 7.868 ppm2 8.593
ASSI { 235}
(( segid " A" and resid 43 and name HN ))
(( segid " A" and resid 44 and name HG ))
3.922 2.202 0.980 peak 235 weight 1.00000E+00 volume 1.24084E+05 ppm1 7.868 ppm2 1.806
ASSI { 240}
(( segid " A" and resid 43 and name HN ))
( segid " A" and resid 44 and name HD1#)
5.637 3.917 1.409 peak 240 weight 1.00000E+00 volume 5.08038E+04 ppm1 7.867 ppm2 0.752
ASSI { 222}
(( segid " A" and resid 43 and name HN ))
(( segid " A" and resid 45 and name HN ))
4.347 2.627 1.087 peak 222 weight 1.00000E+00 volume 5.74589E+04 ppm1 7.868 ppm2 8.339
ASSI { 236}
(( segid " A" and resid 43 and name HN ))
( segid " A" and resid 46 and name HB# )
5.025 3.305 1.256 peak 236 weight 1.00000E+00 volume 1.04414E+05 ppm1 7.868 ppm2 1.496
ASSI { 589}
(( segid " A" and resid 43 and name HD21))
(( segid " A" and resid 47 and name HG1 ))
4.749 3.029 1.187 peak 589 weight 1.00000E+00 volume 3.18945E+04 ppm1 6.941 ppm2 2.397
ASSI { 938}
( segid " A" and resid 44 and name HD2#)
(( segid " A" and resid 30 and name HA ))
5.291 3.571 1.323 peak 938 weight 1.00000E+00 volume 1.90662E+05 ppm1 4.256 ppm2 1.039
ASSI { 657}
( segid " A" and resid 44 and name HD1#)
(( segid " A" and resid 33 and name HB1 ))
4.684 2.964 1.171 peak 657 weight 1.00000E+00 volume 3.92381E+05 ppm1 0.751 ppm2 4.058
ASSI { 658}
( segid " A" and resid 44 and name HD1#)
(( segid " A" and resid 33 and name HB2 ))
4.636 2.916 1.159 peak 658 weight 1.00000E+00 volume 4.27102E+05 ppm1 0.751 ppm2 3.933
ASSI { 647}
( segid " A" and resid 44 and name HD2#)
(( segid " A" and resid 33 and name HB2 ))
4.366 2.646 1.091 peak 647 weight 1.00000E+00 volume 6.81794E+05 ppm1 1.040 ppm2 3.939
ASSI { 988}
( segid " A" and resid 44 and name HD2#)
(( segid " A" and resid 33 and name HB1 ))
4.312 2.592 1.078 peak 988 weight 1.00000E+00 volume 2.43082E+05 ppm1 4.055 ppm2 1.028
ASSI { 995}
( segid " A" and resid 44 and name HD2#)
(( segid " A" and resid 34 and name HA ))
5.623 3.903 1.406 peak 995 weight 1.00000E+00 volume 1.01426E+05 ppm1 3.697 ppm2 1.039
ASSI { 659}
( segid " A" and resid 44 and name HD1#)
(( segid " A" and resid 34 and name HA ))
3.982 2.262 0.995 peak 659 weight 1.00000E+00 volume 1.00669E+06 ppm1 0.752 ppm2 3.708
ASSI { 251}
(( segid " A" and resid 44 and name HN ))
( segid " A" and resid 34 and name HD# )
4.974 3.254 1.243 peak 251 weight 1.00000E+00 volume 1.07330E+05 ppm1 8.600 ppm2 0.817
ASSI { 648}
( segid " A" and resid 44 and name HD2#)
(( segid " A" and resid 41 and name HA ))
4.904 3.184 1.226 peak 648 weight 1.00000E+00 volume 3.25533E+05 ppm1 1.041 ppm2 3.742
ASSI { 244}
(( segid " A" and resid 44 and name HN ))
(( segid " A" and resid 41 and name HA ))
4.235 2.515 1.059 peak 244 weight 1.00000E+00 volume 7.95361E+04 ppm1 8.599 ppm2 3.763
ASSI { 248}
(( segid " A" and resid 44 and name HN ))
( segid " A" and resid 42 and name HB# )
4.973 3.253 1.243 peak 248 weight 1.00000E+00 volume 6.15124E+04 ppm1 8.600 ppm2 1.375
ASSI { 255}
(( segid " A" and resid 44 and name HN ))
(( segid " A" and resid 42 and name HN ))
3.830 2.110 0.958 peak 255 weight 1.00000E+00 volume 1.25879E+05 ppm1 8.458 ppm2 8.589
ASSI { 243}
(( segid " A" and resid 44 and name HN ))
(( segid " A" and resid 42 and name HA ))
4.588 2.868 1.147 peak 243 weight 1.00000E+00 volume 4.89826E+04 ppm1 8.598 ppm2 4.065
ASSI { 637}
(( segid " A" and resid 44 and name HG ))
( segid " A" and resid 43 and name HB# )
3.845 2.125 0.961 peak 637 weight 1.00000E+00 volume 1.33968E+05 ppm1 1.801 ppm2 2.843
ASSI { 649}
( segid " A" and resid 44 and name HD2#)
(( segid " A" and resid 43 and name HB2 ))
5.180 3.460 1.295 peak 649 weight 1.00000E+00 volume 2.68116E+05 ppm1 1.041 ppm2 2.851
ASSI { 241}
(( segid " A" and resid 44 and name HN ))
(( segid " A" and resid 43 and name HA ))
4.294 2.574 1.073 peak 241 weight 1.00000E+00 volume 7.48165E+04 ppm1 8.596 ppm2 4.465
ASSI { 245}
(( segid " A" and resid 44 and name HN ))
( segid " A" and resid 43 and name HB# )
3.537 1.817 0.884 peak 245 weight 1.00000E+00 volume 2.49792E+05 ppm1 8.600 ppm2 2.840
ASSI { 631}
( segid " A" and resid 44 and name HD2#)
(( segid " A" and resid 44 and name HB2 ))
4.250 2.530 1.062 peak 631 weight 1.00000E+00 volume 4.56063E+05 ppm1 1.824 ppm2 1.021
ASSI { 622}
( segid " A" and resid 44 and name HD2#)
(( segid " A" and resid 44 and name HA ))
3.703 1.983 0.926 peak 622 weight 1.00000E+00 volume 1.28256E+06 ppm1 4.147 ppm2 1.034
ASSI { 621}
(( segid " A" and resid 44 and name HB1 ))
(( segid " A" and resid 44 and name HA ))
3.897 2.177 0.974 peak 621 weight 1.00000E+00 volume 3.30712E+05 ppm1 4.145 ppm2 1.248
ASSI { 645}
(( segid " A" and resid 44 and name HG ))
( segid " A" and resid 44 and name HD1#)
4.214 2.494 1.054 peak 645 weight 1.00000E+00 volume 6.68318E+05 ppm1 1.803 ppm2 0.754
ASSI { 246}
(( segid " A" and resid 44 and name HN ))
(( segid " A" and resid 44 and name HB2 ))
3.401 1.681 0.850 peak 246 weight 1.00000E+00 volume 2.89318E+05 ppm1 8.599 ppm2 1.807
OR { 246}
(( segid " A" and resid 44 and name HN ))
(( segid " A" and resid 44 and name HG ))
ASSI { 627}
( segid " A" and resid 44 and name HD2#)
(( segid " A" and resid 44 and name HB1 ))
3.971 2.251 0.993 peak 627 weight 1.00000E+00 volume 4.44943E+05 ppm1 1.251 ppm2 1.040
ASSI { 653}
( segid " A" and resid 44 and name HD2#)
(( segid " A" and resid 44 and name HB2 ))
3.494 1.774 0.873 peak 653 weight 1.00000E+00 volume 2.63813E+06 ppm1 1.041 ppm2 1.804
OR { 653}
(( segid " A" and resid 44 and name HG ))
( segid " A" and resid 44 and name HD2#)
ASSI { 643}
(( segid " A" and resid 44 and name HG ))
(( segid " A" and resid 44 and name HB1 ))
4.180 2.460 1.045 peak 643 weight 1.00000E+00 volume 2.29459E+05 ppm1 1.805 ppm2 1.249
ASSI { 252}
(( segid " A" and resid 44 and name HN ))
( segid " A" and resid 44 and name HD1#)
4.623 2.903 1.156 peak 252 weight 1.00000E+00 volume 1.74297E+05 ppm1 8.600 ppm2 0.754
ASSI { 665}
( segid " A" and resid 44 and name HD1#)
(( segid " A" and resid 44 and name HB2 ))
3.607 1.887 0.902 peak 665 weight 1.00000E+00 volume 1.96934E+06 ppm1 0.751 ppm2 1.804
OR { 665}
(( segid " A" and resid 44 and name HG ))
( segid " A" and resid 44 and name HD1#)
ASSI { 623}
( segid " A" and resid 44 and name HD1#)
(( segid " A" and resid 44 and name HA ))
4.440 2.720 1.110 peak 623 weight 1.00000E+00 volume 4.06361E+05 ppm1 4.146 ppm2 0.776
ASSI { 624}
(( segid " A" and resid 44 and name HB1 ))
(( segid " A" and resid 44 and name HB2 ))
3.408 1.688 0.852 peak 624 weight 1.00000E+00 volume 7.11406E+05 ppm1 1.251 ppm2 1.808
OR { 624}
(( segid " A" and resid 44 and name HG ))
(( segid " A" and resid 44 and name HB1 ))
ASSI { 630}
( segid " A" and resid 44 and name HD1#)
(( segid " A" and resid 44 and name HB2 ))
4.195 2.475 1.049 peak 630 weight 1.00000E+00 volume 5.48497E+05 ppm1 1.821 ppm2 0.773
ASSI { 250}
(( segid " A" and resid 44 and name HN ))
( segid " A" and resid 44 and name HD2#)
4.666 2.946 1.167 peak 250 weight 1.00000E+00 volume 1.57214E+05 ppm1 8.599 ppm2 1.040
ASSI { 629}
(( segid " A" and resid 44 and name HB2 ))
(( segid " A" and resid 44 and name HA ))
3.219 1.499 0.805 peak 629 weight 1.00000E+00 volume 8.37480E+05 ppm1 4.145 ppm2 1.806
OR { 629}
(( segid " A" and resid 44 and name HG ))
(( segid " A" and resid 44 and name HA ))
ASSI { 644}
(( segid " A" and resid 44 and name HG ))
( segid " A" and resid 44 and name HD2#)
4.076 2.356 1.019 peak 644 weight 1.00000E+00 volume 7.40265E+05 ppm1 1.803 ppm2 1.039
ASSI { 628}
( segid " A" and resid 44 and name HD1#)
(( segid " A" and resid 44 and name HB1 ))
4.305 2.585 1.076 peak 628 weight 1.00000E+00 volume 5.02844E+05 ppm1 1.250 ppm2 0.756
ASSI { 655}
( segid " A" and resid 44 and name HD2#)
( segid " A" and resid 44 and name HD1#)
3.865 2.145 0.966 peak 655 weight 1.00000E+00 volume 4.08797E+06 ppm1 1.041 ppm2 0.756
ASSI { 242}
(( segid " A" and resid 44 and name HN ))
(( segid " A" and resid 44 and name HA ))
3.932 2.212 0.983 peak 242 weight 1.00000E+00 volume 1.21135E+05 ppm1 8.599 ppm2 4.144
ASSI { 249}
(( segid " A" and resid 44 and name HN ))
(( segid " A" and resid 44 and name HB1 ))
4.073 2.353 1.018 peak 249 weight 1.00000E+00 volume 1.04028E+05 ppm1 8.597 ppm2 1.252
ASSI { 253}
(( segid " A" and resid 44 and name HN ))
(( segid " A" and resid 45 and name HN ))
4.017 2.297 1.004 peak 253 weight 1.00000E+00 volume 1.04626E+05 ppm1 8.599 ppm2 8.346
ASSI { 247}
(( segid " A" and resid 44 and name HN ))
( segid " A" and resid 46 and name HB# )
5.540 3.820 1.385 peak 247 weight 1.00000E+00 volume 5.13646E+04 ppm1 8.598 ppm2 1.500
ASSI { 17}
(( segid " A" and resid 44 and name HA ))
( segid " A" and resid 48 and name HB# )
6.534 4.814 1.466 peak 17 weight 1.00000E+00 volume 7.78360E+04 ppm1 0.425 ppm2 4.156
ASSI { 567}
( segid " A" and resid 45 and name HD1#)
( segid " A" and resid 12 and name HB# )
4.011 2.291 1.003 peak 567 weight 1.00000E+00 volume 1.90634E+06 ppm1 0.827 ppm2 1.415
OR { 567}
( segid " A" and resid 45 and name HD2#)
( segid " A" and resid 12 and name HB# )
ASSI { 564}
( segid " A" and resid 45 and name HD2#)
(( segid " A" and resid 15 and name HB2 ))
3.885 2.165 0.971 peak 564 weight 1.00000E+00 volume 9.63494E+05 ppm1 0.824 ppm2 1.943
OR { 564}
( segid " A" and resid 45 and name HD1#)
(( segid " A" and resid 15 and name HB2 ))
ASSI { 562}
( segid " A" and resid 45 and name HD2#)
( segid " A" and resid 15 and name HG# )
4.271 2.551 1.068 peak 562 weight 1.00000E+00 volume 5.30856E+05 ppm1 0.827 ppm2 2.340
OR { 562}
( segid " A" and resid 45 and name HD1#)
( segid " A" and resid 15 and name HG# )
ASSI { 1259}
( segid " A" and resid 45 and name HD1#)
(( segid " A" and resid 15 and name HA ))
5.254 3.534 1.314 peak 1259 weight 1.00000E+00 volume 1.41385E+05 ppm1 3.859 ppm2 0.819
OR { 1259}
( segid " A" and resid 45 and name HD2#)
(( segid " A" and resid 15 and name HA ))
ASSI { 563}
( segid " A" and resid 45 and name HD2#)
(( segid " A" and resid 15 and name HB1 ))
4.137 2.417 1.034 peak 563 weight 1.00000E+00 volume 6.95328E+05 ppm1 0.827 ppm2 2.057
OR { 563}
( segid " A" and resid 45 and name HD1#)
(( segid " A" and resid 15 and name HB1 ))
ASSI { 1119}
(( segid " A" and resid 45 and name HA ))
( segid " A" and resid 16 and name HD1#)
4.259 2.539 1.065 peak 1119 weight 1.00000E+00 volume 6.04528E+05 ppm1 0.471 ppm2 3.768
ASSI { 567}
(( segid " A" and resid 45 and name HN ))
(( segid " A" and resid 41 and name HA ))
4.027 2.307 1.007 peak 567 weight 1.00000E+00 volume 8.47628E+04 ppm1 8.356 ppm2 3.762
ASSI { 679}
(( segid " A" and resid 45 and name HN ))
( segid " A" and resid 44 and name HD1#)
5.388 3.668 1.347 peak 679 weight 1.00000E+00 volume 1.58024E+05 ppm1 0.753 ppm2 8.336
ASSI { 697}
(( segid " A" and resid 45 and name HN ))
(( segid " A" and resid 44 and name HA ))
4.165 2.445 1.041 peak 697 weight 1.00000E+00 volume 1.99826E+05 ppm1 4.151 ppm2 8.347
ASSI { 625}
(( segid " A" and resid 45 and name HB1 ))
(( segid " A" and resid 44 and name HB1 ))
4.588 2.868 1.147 peak 625 weight 1.00000E+00 volume 1.15440E+05 ppm1 1.246 ppm2 1.691
ASSI { 690}
(( segid " A" and resid 45 and name HN ))
(( segid " A" and resid 44 and name HB1 ))
4.640 2.920 1.160 peak 690 weight 1.00000E+00 volume 1.13644E+05 ppm1 1.255 ppm2 8.342
ASSI { 692}
(( segid " A" and resid 45 and name HN ))
(( segid " A" and resid 44 and name HB2 ))
4.675 2.955 1.169 peak 692 weight 1.00000E+00 volume 8.12433E+04 ppm1 1.798 ppm2 8.335
OR { 692}
(( segid " A" and resid 45 and name HN ))
(( segid " A" and resid 44 and name HG ))
ASSI { 684}
(( segid " A" and resid 45 and name HN ))
( segid " A" and resid 44 and name HD2#)
4.993 3.273 1.248 peak 684 weight 1.00000E+00 volume 2.99578E+05 ppm1 1.041 ppm2 8.344
ASSI { 568}
(( segid " A" and resid 45 and name HN ))
( segid " A" and resid 45 and name HD2#)
4.107 2.387 1.027 peak 568 weight 1.00000E+00 volume 8.36783E+04 ppm1 8.349 ppm2 0.831
OR { 568}
(( segid " A" and resid 45 and name HN ))
( segid " A" and resid 45 and name HD1#)
ASSI { 554}
(( segid " A" and resid 45 and name HA ))
(( segid " A" and resid 45 and name HB1 ))
4.043 2.323 1.011 peak 554 weight 1.00000E+00 volume 4.29808E+04 ppm1 1.692 ppm2 3.768
ASSI { 565}
(( segid " A" and resid 45 and name HB1 ))
( segid " A" and resid 45 and name HD1#)
3.546 1.826 0.887 peak 565 weight 1.00000E+00 volume 1.29478E+06 ppm1 0.821 ppm2 1.698
OR { 565}
(( segid " A" and resid 45 and name HB1 ))
( segid " A" and resid 45 and name HD2#)
ASSI { 566}
(( segid " A" and resid 45 and name HB2 ))
( segid " A" and resid 45 and name HD1#)
3.009 1.289 0.752 peak 566 weight 1.00000E+00 volume 4.06695E+06 ppm1 0.824 ppm2 1.541
OR { 566}
(( segid " A" and resid 45 and name HB2 ))
( segid " A" and resid 45 and name HD2#)
ASSI { 577}
(( segid " A" and resid 45 and name HN ))
(( segid " A" and resid 45 and name HB2 ))
4.609 2.889 1.152 peak 577 weight 1.00000E+00 volume 9.74613E+04 ppm1 1.542 ppm2 8.344
ASSI { 552}
(( segid " A" and resid 45 and name HA ))
(( segid " A" and resid 45 and name HG ))
3.508 1.788 0.877 peak 552 weight 1.00000E+00 volume 6.25198E+05 ppm1 3.772 ppm2 1.547
OR { 552}
(( segid " A" and resid 45 and name HA ))
(( segid " A" and resid 45 and name HB2 ))
ASSI { 553}
(( segid " A" and resid 45 and name HA ))
(( segid " A" and resid 45 and name HB2 ))
4.759 3.039 1.190 peak 553 weight 1.00000E+00 volume 1.00316E+05 ppm1 1.539 ppm2 3.772
ASSI { 549}
(( segid " A" and resid 45 and name HG ))
( segid " A" and resid 45 and name HD2#)
3.515 1.795 0.879 peak 549 weight 1.00000E+00 volume 1.67072E+06 ppm1 1.551 ppm2 0.825
OR { 549}
( segid " A" and resid 45 and name HD1#)
(( segid " A" and resid 34 and name HG ))
OR { 549}
( segid " A" and resid 34 and name HD# )
(( segid " A" and resid 45 and name HG ))
OR { 549}
( segid " A" and resid 45 and name HD2#)
(( segid " A" and resid 34 and name HG ))
OR { 549}
( segid " A" and resid 34 and name HD# )
(( segid " A" and resid 34 and name HG ))
OR { 549}
(( segid " A" and resid 45 and name HG ))
( segid " A" and resid 45 and name HD1#)
ASSI { 550}
(( segid " A" and resid 45 and name HA ))
(( segid " A" and resid 45 and name HG ))
3.992 2.272 0.998 peak 550 weight 1.00000E+00 volume 2.26560E+05 ppm1 1.544 ppm2 3.768
ASSI { 558}
(( segid " A" and resid 45 and name HA ))
( segid " A" and resid 45 and name HD2#)
3.552 1.832 0.888 peak 558 weight 1.00000E+00 volume 1.62026E+06 ppm1 0.824 ppm2 3.768
OR { 558}
(( segid " A" and resid 45 and name HA ))
( segid " A" and resid 45 and name HD1#)
ASSI { 192}
(( segid " A" and resid 45 and name HA ))
(( segid " A" and resid 45 and name HN ))
3.841 2.121 0.960 peak 192 weight 1.00000E+00 volume 9.96001E+04 ppm1 8.334 ppm2 3.763
ASSI { 368}
(( segid " A" and resid 45 and name HA ))
(( segid " A" and resid 46 and name HN ))
4.140 2.420 1.035 peak 368 weight 1.00000E+00 volume 9.01914E+04 ppm1 7.553 ppm2 3.769
ASSI { 1279}
( segid " A" and resid 45 and name HD2#)
(( segid " A" and resid 46 and name HA ))
4.530 2.810 1.133 peak 1279 weight 1.00000E+00 volume 3.58282E+05 ppm1 4.003 ppm2 0.826
OR { 1279}
( segid " A" and resid 45 and name HD1#)
(( segid " A" and resid 46 and name HA ))
ASSI { 11}
(( segid " A" and resid 45 and name HA ))
( segid " A" and resid 48 and name HB# )
4.174 2.454 1.043 peak 11 weight 1.00000E+00 volume 5.08135E+05 ppm1 0.426 ppm2 3.767
ASSI { 29}
(( segid " A" and resid 45 and name HB1 ))
( segid " A" and resid 48 and name HB# )
4.923 3.203 1.231 peak 29 weight 1.00000E+00 volume 2.97153E+05 ppm1 0.425 ppm2 1.679
ASSI { 30}
(( segid " A" and resid 45 and name HB2 ))
( segid " A" and resid 48 and name HB# )
4.735 3.015 1.184 peak 30 weight 1.00000E+00 volume 3.50385E+05 ppm1 0.424 ppm2 1.562
ASSI { 35}
(( segid " A" and resid 45 and name HA ))
(( segid " A" and resid 48 and name HN ))
4.305 2.585 1.076 peak 35 weight 1.00000E+00 volume 6.98540E+04 ppm1 8.384 ppm2 3.769
ASSI { 527}
( segid " A" and resid 45 and name HD1#)
(( segid " A" and resid 49 and name HE1 ))
4.296 2.576 1.074 peak 527 weight 1.00000E+00 volume 6.68340E+05 ppm1 2.879 ppm2 0.819
OR { 527}
( segid " A" and resid 45 and name HD2#)
(( segid " A" and resid 49 and name HE1 ))
ASSI { 375}
(( segid " A" and resid 46 and name HN ))
( segid " A" and resid 12 and name HB# )
5.030 3.310 1.258 peak 375 weight 1.00000E+00 volume 7.98538E+04 ppm1 7.554 ppm2 1.421
ASSI { 377}
(( segid " A" and resid 46 and name HN ))
( segid " A" and resid 42 and name HB# )
4.718 2.998 1.180 peak 377 weight 1.00000E+00 volume 7.53881E+04 ppm1 7.556 ppm2 1.387
ASSI { 78}
( segid " A" and resid 46 and name HB# )
( segid " A" and resid 43 and name HB# )
4.495 2.775 1.124 peak 78 weight 1.00000E+00 volume 5.63816E+05 ppm1 1.497 ppm2 2.848
ASSI { 707}
( segid " A" and resid 46 and name HB# )
(( segid " A" and resid 43 and name HA ))
4.171 2.451 1.043 peak 707 weight 1.00000E+00 volume 5.43629E+05 ppm1 4.472 ppm2 1.497
ASSI { 365}
(( segid " A" and resid 46 and name HN ))
(( segid " A" and resid 43 and name HA ))
4.085 2.365 1.021 peak 365 weight 1.00000E+00 volume 1.07791E+05 ppm1 7.554 ppm2 4.464
ASSI { 370}
(( segid " A" and resid 46 and name HN ))
( segid " A" and resid 43 and name HB# )
4.817 3.097 1.204 peak 370 weight 1.00000E+00 volume 5.04614E+04 ppm1 7.557 ppm2 2.840
ASSI { 366}
(( segid " A" and resid 46 and name HN ))
(( segid " A" and resid 44 and name HA ))
4.675 2.955 1.169 peak 366 weight 1.00000E+00 volume 4.76779E+04 ppm1 7.554 ppm2 4.140
ASSI { 77}
( segid " A" and resid 46 and name HB# )
( segid " A" and resid 45 and name HD1#)
5.383 3.663 1.346 peak 77 weight 1.00000E+00 volume 5.46094E+05 ppm1 1.497 ppm2 0.821
OR { 77}
( segid " A" and resid 46 and name HB# )
( segid " A" and resid 45 and name HD2#)
ASSI { 1248}
(( segid " A" and resid 46 and name HN ))
(( segid " A" and resid 45 and name HG ))
4.532 2.812 1.133 peak 1248 weight 1.00000E+00 volume 1.38472E+05 ppm1 1.548 ppm2 7.555
ASSI { 574}
(( segid " A" and resid 46 and name HN ))
(( segid " A" and resid 45 and name HB2 ))
4.998 3.278 1.250 peak 574 weight 1.00000E+00 volume 7.06307E+04 ppm1 1.542 ppm2 7.563
ASSI { 1282}
( segid " A" and resid 46 and name HB# )
(( segid " A" and resid 45 and name HN ))
4.535 2.815 1.134 peak 1282 weight 1.00000E+00 volume 5.47363E+05 ppm1 1.498 ppm2 8.346
ASSI { 379}
(( segid " A" and resid 46 and name HN ))
(( segid " A" and resid 45 and name HN ))
3.798 2.078 0.950 peak 379 weight 1.00000E+00 volume 1.31953E+05 ppm1 7.553 ppm2 8.349
ASSI { 372}
(( segid " A" and resid 46 and name HN ))
(( segid " A" and resid 45 and name HB1 ))
4.264 2.544 1.066 peak 372 weight 1.00000E+00 volume 5.16430E+04 ppm1 7.554 ppm2 1.743
ASSI { 378}
(( segid " A" and resid 46 and name HN ))
( segid " A" and resid 45 and name HD1#)
4.586 2.866 1.147 peak 378 weight 1.00000E+00 volume 1.66255E+05 ppm1 7.553 ppm2 0.824
OR { 378}
(( segid " A" and resid 46 and name HN ))
( segid " A" and resid 45 and name HD2#)
ASSI { 1273}
( segid " A" and resid 46 and name HB# )
(( segid " A" and resid 46 and name HA ))
3.240 1.520 0.810 peak 1273 weight 1.00000E+00 volume 4.08664E+06 ppm1 1.497 ppm2 4.003
ASSI { 374}
( segid " A" and resid 46 and name HB# )
(( segid " A" and resid 46 and name HN ))
3.425 1.705 0.856 peak 374 weight 1.00000E+00 volume 8.49828E+05 ppm1 7.555 ppm2 1.497
ASSI { 367}
(( segid " A" and resid 46 and name HN ))
(( segid " A" and resid 46 and name HA ))
3.376 1.656 0.844 peak 367 weight 1.00000E+00 volume 2.82237E+05 ppm1 7.554 ppm2 4.001
ASSI { 601}
( segid " A" and resid 46 and name HB# )
(( segid " A" and resid 47 and name HA ))
4.671 2.951 1.168 peak 601 weight 1.00000E+00 volume 4.04187E+05 ppm1 3.974 ppm2 1.500
ASSI { 79}
( segid " A" and resid 46 and name HB# )
(( segid " A" and resid 47 and name HG1 ))
4.958 3.238 1.239 peak 79 weight 1.00000E+00 volume 3.43518E+05 ppm1 1.497 ppm2 2.416
ASSI { 80}
( segid " A" and resid 46 and name HB# )
( segid " A" and resid 47 and name HB# )
4.454 2.734 1.114 peak 80 weight 1.00000E+00 volume 6.55294E+05 ppm1 1.497 ppm2 2.231
ASSI { 60}
( segid " A" and resid 46 and name HB# )
( segid " A" and resid 48 and name HB# )
7.138 5.418 0.862 peak 60 weight 1.00000E+00 volume 1.43292E+05 ppm1 1.497 ppm2 0.431
ASSI { 27}
( segid " A" and resid 46 and name HB# )
(( segid " A" and resid 48 and name HN ))
5.034 3.314 1.258 peak 27 weight 1.00000E+00 volume 8.22524E+04 ppm1 8.388 ppm2 1.497
ASSI { 1275}
( segid " A" and resid 46 and name HB# )
(( segid " A" and resid 49 and name HB1 ))
4.493 2.773 1.123 peak 1275 weight 1.00000E+00 volume 5.71451E+05 ppm1 1.497 ppm2 1.898
ASSI { 603}
( segid " A" and resid 47 and name HB# )
(( segid " A" and resid 30 and name HZ ))
3.926 2.206 0.981 peak 603 weight 1.00000E+00 volume 3.36316E+05 ppm1 2.232 ppm2 7.113
ASSI { 602}
( segid " A" and resid 47 and name HB# )
( segid " A" and resid 30 and name HE# )
3.971 2.251 0.993 peak 602 weight 1.00000E+00 volume 5.87523E+05 ppm1 2.233 ppm2 7.243
ASSI { 604}
(( segid " A" and resid 47 and name HG2 ))
( segid " A" and resid 30 and name HE# )
4.462 2.742 1.115 peak 604 weight 1.00000E+00 volume 3.52384E+05 ppm1 2.454 ppm2 7.243
ASSI { 605}
(( segid " A" and resid 47 and name HG1 ))
( segid " A" and resid 30 and name HE# )
4.541 2.821 1.135 peak 605 weight 1.00000E+00 volume 2.98113E+05 ppm1 2.404 ppm2 7.242
ASSI { 606}
( segid " A" and resid 47 and name HG# )
(( segid " A" and resid 30 and name HZ ))
4.015 2.295 1.004 peak 606 weight 1.00000E+00 volume 3.13280E+05 ppm1 2.455 ppm2 7.109
ASSI { 387}
(( segid " A" and resid 47 and name HN ))
(( segid " A" and resid 43 and name HA ))
4.380 2.660 1.095 peak 387 weight 1.00000E+00 volume 5.80571E+04 ppm1 8.091 ppm2 4.467
ASSI { 583}
(( segid " A" and resid 47 and name HG1 ))
(( segid " A" and resid 44 and name HA ))
3.952 2.232 0.988 peak 583 weight 1.00000E+00 volume 1.96793E+05 ppm1 2.403 ppm2 4.141
ASSI { 651}
(( segid " A" and resid 47 and name HG1 ))
( segid " A" and resid 44 and name HD2#)
5.167 3.447 1.292 peak 651 weight 1.00000E+00 volume 2.90731E+05 ppm1 1.041 ppm2 2.408
ASSI { 582}
(( segid " A" and resid 47 and name HG2 ))
(( segid " A" and resid 44 and name HA ))
4.197 2.477 1.049 peak 582 weight 1.00000E+00 volume 2.50272E+05 ppm1 2.454 ppm2 4.143
ASSI { 652}
( segid " A" and resid 47 and name HB# )
( segid " A" and resid 44 and name HD2#)
4.445 2.725 1.111 peak 652 weight 1.00000E+00 volume 6.78130E+05 ppm1 1.041 ppm2 2.233
OR { 652}
(( segid " A" and resid 40 and name HG1 ))
( segid " A" and resid 44 and name HD2#)
ASSI { 596}
( segid " A" and resid 47 and name HB# )
(( segid " A" and resid 44 and name HB2 ))
4.077 2.357 1.019 peak 596 weight 1.00000E+00 volume 2.88512E+05 ppm1 2.235 ppm2 1.820
ASSI { 598}
( segid " A" and resid 47 and name HB# )
( segid " A" and resid 44 and name HD2#)
4.608 2.888 1.152 peak 598 weight 1.00000E+00 volume 3.72579E+05 ppm1 2.233 ppm2 1.035
ASSI { 592}
( segid " A" and resid 47 and name HB# )
(( segid " A" and resid 44 and name HA ))
3.472 1.752 0.868 peak 592 weight 1.00000E+00 volume 5.82051E+05 ppm1 2.232 ppm2 4.144
ASSI { 663}
( segid " A" and resid 47 and name HB# )
( segid " A" and resid 44 and name HD1#)
5.906 4.186 1.477 peak 663 weight 1.00000E+00 volume 1.50492E+05 ppm1 0.751 ppm2 2.234
ASSI { 386}
(( segid " A" and resid 47 and name HN ))
(( segid " A" and resid 44 and name HA ))
3.783 2.063 0.946 peak 386 weight 1.00000E+00 volume 1.33944E+05 ppm1 8.093 ppm2 4.144
ASSI { 396}
(( segid " A" and resid 47 and name HN ))
( segid " A" and resid 44 and name HD2#)
6.060 4.340 1.515 peak 396 weight 1.00000E+00 volume 5.83939E+04 ppm1 8.092 ppm2 1.039
ASSI { 388}
(( segid " A" and resid 47 and name HN ))
(( segid " A" and resid 45 and name HA ))
4.723 3.003 1.181 peak 388 weight 1.00000E+00 volume 4.19533E+04 ppm1 8.089 ppm2 3.767
ASSI { 1288}
(( segid " A" and resid 47 and name HN ))
(( segid " A" and resid 46 and name HA ))
3.833 2.113 0.958 peak 1288 weight 1.00000E+00 volume 3.41297E+05 ppm1 4.001 ppm2 8.094
ASSI { 395}
(( segid " A" and resid 47 and name HN ))
( segid " A" and resid 46 and name HB# )
3.801 2.081 0.950 peak 395 weight 1.00000E+00 volume 5.30193E+05 ppm1 8.093 ppm2 1.496
ASSI { 380}
(( segid " A" and resid 47 and name HN ))
(( segid " A" and resid 46 and name HN ))
3.452 1.732 0.863 peak 380 weight 1.00000E+00 volume 2.40105E+05 ppm1 7.556 ppm2 8.088
ASSI { 584}
( segid " A" and resid 47 and name HB# )
( segid " A" and resid 47 and name HG# )
2.784 1.064 0.696 peak 584 weight 1.00000E+00 volume 2.93152E+06 ppm1 2.454 ppm2 2.233
ASSI { 579}
( segid " A" and resid 47 and name HB# )
(( segid " A" and resid 47 and name HA ))
2.930 1.210 0.733 peak 579 weight 1.00000E+00 volume 1.92843E+06 ppm1 3.976 ppm2 2.235
ASSI { 613}
(( segid " A" and resid 47 and name HN ))
( segid " A" and resid 47 and name HG# )
3.539 1.819 0.885 peak 613 weight 1.00000E+00 volume 6.90344E+05 ppm1 2.454 ppm2 8.091
ASSI { 578}
( segid " A" and resid 47 and name HG# )
(( segid " A" and resid 47 and name HA ))
2.993 1.273 0.748 peak 578 weight 1.00000E+00 volume 1.50964E+06 ppm1 3.977 ppm2 2.407
ASSI { 385}
(( segid " A" and resid 47 and name HN ))
(( segid " A" and resid 47 and name HA ))
3.250 1.530 0.813 peak 385 weight 1.00000E+00 volume 3.60936E+05 ppm1 8.093 ppm2 3.979
ASSI { 390}
(( segid " A" and resid 47 and name HN ))
(( segid " A" and resid 47 and name HG1 ))
3.526 1.806 0.881 peak 390 weight 1.00000E+00 volume 2.48535E+05 ppm1 8.093 ppm2 2.402
ASSI { 391}
(( segid " A" and resid 47 and name HN ))
( segid " A" and resid 47 and name HB# )
2.986 1.266 0.747 peak 391 weight 1.00000E+00 volume 6.99952E+05 ppm1 8.093 ppm2 2.232
ASSI { 389}
(( segid " A" and resid 47 and name HN ))
(( segid " A" and resid 47 and name HG2 ))
3.593 1.873 0.898 peak 389 weight 1.00000E+00 volume 2.15086E+05 ppm1 8.093 ppm2 2.446
ASSI { 10}
(( segid " A" and resid 47 and name HA ))
( segid " A" and resid 48 and name HB# )
5.563 3.843 1.391 peak 10 weight 1.00000E+00 volume 1.44803E+05 ppm1 0.426 ppm2 3.985
ASSI { 26}
( segid " A" and resid 47 and name HB# )
( segid " A" and resid 48 and name HB# )
4.925 3.205 1.231 peak 26 weight 1.00000E+00 volume 1.86784E+05 ppm1 0.426 ppm2 2.237
ASSI { 398}
(( segid " A" and resid 47 and name HN ))
( segid " A" and resid 48 and name HB# )
5.101 3.381 1.275 peak 398 weight 1.00000E+00 volume 8.40847E+04 ppm1 8.093 ppm2 0.427
ASSI { 30}
( segid " A" and resid 47 and name HB# )
(( segid " A" and resid 48 and name HN ))
3.373 1.653 0.843 peak 30 weight 1.00000E+00 volume 2.95783E+05 ppm1 8.386 ppm2 2.233
ASSI { 67}
( segid " A" and resid 47 and name HB# )
(( segid " A" and resid 48 and name HA ))
4.651 2.931 1.163 peak 67 weight 1.00000E+00 volume 1.14023E+05 ppm1 3.389 ppm2 2.238
ASSI { 36}
(( segid " A" and resid 47 and name HN ))
(( segid " A" and resid 48 and name HN ))
3.408 1.688 0.852 peak 36 weight 1.00000E+00 volume 2.64394E+05 ppm1 8.385 ppm2 8.090
ASSI { 595}
( segid " A" and resid 47 and name HB# )
( segid " A" and resid 50 and name HB# )
3.834 2.114 0.958 peak 595 weight 1.00000E+00 volume 3.69990E+05 ppm1 2.234 ppm2 1.910
ASSI { 468}
(( segid " A" and resid 47 and name HA ))
( segid " A" and resid 50 and name HE# )
3.887 2.167 0.972 peak 468 weight 1.00000E+00 volume 4.10713E+05 ppm1 2.925 ppm2 3.979
ASSI { 464}
(( segid " A" and resid 47 and name HA ))
( segid " A" and resid 50 and name HD# )
3.541 1.821 0.885 peak 464 weight 1.00000E+00 volume 6.01968E+05 ppm1 1.679 ppm2 3.972
ASSI { 1553}
( segid " A" and resid 47 and name HB# )
(( segid " A" and resid 50 and name HD1 ))
4.810 3.090 1.202 peak 1553 weight 1.00000E+00 volume 9.70310E+04 ppm1 2.233 ppm2 1.681
ASSI { 400}
(( segid " A" and resid 47 and name HN ))
(( segid " A" and resid 50 and name HN ))
4.512 2.792 1.128 peak 400 weight 1.00000E+00 volume 5.06265E+04 ppm1 8.098 ppm2 7.764
ASSI { 392}
(( segid " A" and resid 47 and name HN ))
( segid " A" and resid 50 and name HB# )
4.192 2.472 1.048 peak 392 weight 1.00000E+00 volume 7.76284E+04 ppm1 8.092 ppm2 1.901
ASSI { 1554}
( segid " A" and resid 47 and name HB# )
( segid " A" and resid 51 and name HD# )
5.421 3.701 1.355 peak 1554 weight 1.00000E+00 volume 1.33346E+05 ppm1 2.233 ppm2 0.973
ASSI { 1031}
(( segid " A" and resid 48 and name HA ))
(( segid " A" and resid 19 and name HG ))
4.685 2.965 1.171 peak 1031 weight 1.00000E+00 volume 1.08773E+05 ppm1 2.315 ppm2 3.407
OR { 1031}
(( segid " A" and resid 16 and name HA ))
(( segid " A" and resid 19 and name HG ))
ASSI { 1036}
( segid " A" and resid 48 and name HB# )
(( segid " A" and resid 19 and name HG ))
6.273 4.553 1.568 peak 1036 weight 1.00000E+00 volume 5.47539E+04 ppm1 2.318 ppm2 0.456
ASSI { 61}
(( segid " A" and resid 48 and name HA ))
( segid " A" and resid 30 and name HE# )
4.508 2.788 1.127 peak 61 weight 1.00000E+00 volume 2.83991E+05 ppm1 3.391 ppm2 7.240
ASSI { 62}
(( segid " A" and resid 48 and name HA ))
(( segid " A" and resid 30 and name HZ ))
3.999 2.279 1.000 peak 62 weight 1.00000E+00 volume 3.03580E+05 ppm1 3.390 ppm2 7.110
ASSI { 6}
( segid " A" and resid 48 and name HB# )
(( segid " A" and resid 30 and name HZ ))
5.306 3.586 1.326 peak 6 weight 1.00000E+00 volume 1.87869E+05 ppm1 0.427 ppm2 7.116
ASSI { 41}
(( segid " A" and resid 48 and name HN ))
( segid " A" and resid 30 and name HD# )
5.219 3.499 1.305 peak 41 weight 1.00000E+00 volume 4.02858E+04 ppm1 8.380 ppm2 7.212
ASSI { 33}
(( segid " A" and resid 48 and name HN ))
(( segid " A" and resid 44 and name HA ))
4.558 2.838 1.139 peak 33 weight 1.00000E+00 volume 4.92614E+04 ppm1 8.390 ppm2 4.139
ASSI { 7}
( segid " A" and resid 48 and name HB# )
( segid " A" and resid 45 and name HD1#)
4.627 2.907 1.157 peak 7 weight 1.00000E+00 volume 1.14819E+06 ppm1 0.426 ppm2 0.811
OR { 7}
( segid " A" and resid 48 and name HB# )
( segid " A" and resid 45 and name HD2#)
ASSI { 26}
(( segid " A" and resid 48 and name HN ))
(( segid " A" and resid 45 and name HG ))
4.421 2.701 1.105 peak 26 weight 1.00000E+00 volume 5.96192E+04 ppm1 8.388 ppm2 1.563
OR { 26}
(( segid " A" and resid 48 and name HN ))
(( segid " A" and resid 45 and name HB2 ))
ASSI { 39}
(( segid " A" and resid 48 and name HN ))
(( segid " A" and resid 46 and name HN ))
4.472 2.752 1.118 peak 39 weight 1.00000E+00 volume 5.88745E+04 ppm1 8.382 ppm2 7.550
ASSI { 28}
(( segid " A" and resid 48 and name HN ))
( segid " A" and resid 47 and name HG# )
4.332 2.612 1.083 peak 28 weight 1.00000E+00 volume 3.79382E+04 ppm1 8.383 ppm2 2.446
ASSI { 34}
(( segid " A" and resid 48 and name HN ))
(( segid " A" and resid 47 and name HA ))
3.956 2.236 0.989 peak 34 weight 1.00000E+00 volume 1.01619E+05 ppm1 8.387 ppm2 3.979
ASSI { 23}
(( segid " A" and resid 48 and name HN ))
( segid " A" and resid 48 and name HB# )
3.829 2.109 0.957 peak 23 weight 1.00000E+00 volume 4.19929E+05 ppm1 8.386 ppm2 0.426
ASSI { 9}
(( segid " A" and resid 48 and name HA ))
( segid " A" and resid 48 and name HB# )
3.850 2.130 0.962 peak 9 weight 1.00000E+00 volume 1.14048E+06 ppm1 0.426 ppm2 3.392
ASSI { 24}
(( segid " A" and resid 48 and name HN ))
(( segid " A" and resid 48 and name HA ))
3.757 2.037 0.939 peak 24 weight 1.00000E+00 volume 1.60138E+05 ppm1 8.385 ppm2 3.388
ASSI { 31}
(( segid " A" and resid 48 and name HN ))
(( segid " A" and resid 49 and name HB1 ))
4.524 2.804 1.131 peak 31 weight 1.00000E+00 volume 5.41430E+04 ppm1 8.390 ppm2 1.899
OR { 31}
(( segid " A" and resid 48 and name HN ))
( segid " A" and resid 50 and name HB# )
ASSI { 385}
(( segid " A" and resid 48 and name HA ))
( segid " A" and resid 51 and name HD# )
5.362 3.642 1.341 peak 385 weight 1.00000E+00 volume 1.72633E+05 ppm1 0.946 ppm2 3.390
ASSI { 69}
(( segid " A" and resid 48 and name HA ))
(( segid " A" and resid 51 and name HB2 ))
4.037 2.317 1.009 peak 69 weight 1.00000E+00 volume 2.82254E+05 ppm1 3.391 ppm2 1.796
ASSI { 70}
(( segid " A" and resid 48 and name HA ))
(( segid " A" and resid 51 and name HB1 ))
4.303 2.583 1.076 peak 70 weight 1.00000E+00 volume 2.25018E+05 ppm1 3.392 ppm2 1.645
ASSI { 72}
(( segid " A" and resid 48 and name HA ))
( segid " A" and resid 51 and name HD1#)
4.753 3.033 1.188 peak 72 weight 1.00000E+00 volume 3.19997E+05 ppm1 3.391 ppm2 0.968
ASSI { 1271}
( segid " A" and resid 48 and name HB# )
( segid " A" and resid 51 and name HD1#)
6.588 4.868 1.412 peak 1271 weight 1.00000E+00 volume 1.80727E+05 ppm1 0.983 ppm2 0.432
ASSI { 489}
(( segid " A" and resid 49 and name HA ))
( segid " A" and resid 19 and name HD1#)
4.596 2.876 1.149 peak 489 weight 1.00000E+00 volume 3.55482E+05 ppm1 3.713 ppm2 0.788
ASSI { 490}
(( segid " A" and resid 49 and name HA ))
( segid " A" and resid 19 and name HD2#)
4.638 2.918 1.160 peak 490 weight 1.00000E+00 volume 2.75388E+05 ppm1 3.712 ppm2 0.665
ASSI { 1300}
(( segid " A" and resid 49 and name HG2 ))
(( segid " A" and resid 46 and name HA ))
5.074 3.354 1.269 peak 1300 weight 1.00000E+00 volume 7.67727E+04 ppm1 1.291 ppm2 4.010
ASSI { 1302}
(( segid " A" and resid 49 and name HD2 ))
(( segid " A" and resid 46 and name HA ))
4.459 2.739 1.115 peak 1302 weight 1.00000E+00 volume 1.39650E+05 ppm1 1.618 ppm2 3.999
ASSI { 539}
(( segid " A" and resid 49 and name HB2 ))
(( segid " A" and resid 46 and name HA ))
3.526 1.806 0.882 peak 539 weight 1.00000E+00 volume 2.65259E+05 ppm1 1.759 ppm2 4.001
ASSI { 1278}
(( segid " A" and resid 49 and name HB1 ))
(( segid " A" and resid 46 and name HA ))
3.360 1.640 0.840 peak 1278 weight 1.00000E+00 volume 7.23438E+05 ppm1 4.001 ppm2 1.900
ASSI { 1301}
(( segid " A" and resid 49 and name HD1 ))
(( segid " A" and resid 46 and name HA ))
4.575 2.855 1.144 peak 1301 weight 1.00000E+00 volume 1.22900E+05 ppm1 1.566 ppm2 4.003
ASSI { 24}
(( segid " A" and resid 49 and name HN ))
( segid " A" and resid 48 and name HB# )
4.663 2.943 1.166 peak 24 weight 1.00000E+00 volume 3.74770E+05 ppm1 0.423 ppm2 8.265
ASSI { 27}
(( segid " A" and resid 49 and name HB1 ))
( segid " A" and resid 48 and name HB# )
5.674 3.954 1.419 peak 27 weight 1.00000E+00 volume 1.27317E+05 ppm1 0.426 ppm2 1.898
ASSI { 43}
(( segid " A" and resid 49 and name HN ))
(( segid " A" and resid 48 and name HN ))
3.923 2.203 0.981 peak 43 weight 1.00000E+00 volume 9.79835E+04 ppm1 8.386 ppm2 8.292
ASSI { 546}
(( segid " A" and resid 49 and name HN ))
(( segid " A" and resid 49 and name HD1 ))
4.409 2.689 1.102 peak 546 weight 1.00000E+00 volume 1.89613E+05 ppm1 1.567 ppm2 8.270
ASSI { 508}
(( segid " A" and resid 49 and name HG2 ))
(( segid " A" and resid 49 and name HB2 ))
3.466 1.746 0.866 peak 508 weight 1.00000E+00 volume 4.39299E+05 ppm1 1.292 ppm2 1.748
ASSI { 514}
(( segid " A" and resid 49 and name HA ))
(( segid " A" and resid 49 and name HD2 ))
4.055 2.335 1.014 peak 514 weight 1.00000E+00 volume 2.02024E+05 ppm1 1.620 ppm2 3.710
ASSI { 526}
(( segid " A" and resid 49 and name HD2 ))
(( segid " A" and resid 49 and name HE1 ))
3.626 1.906 0.907 peak 526 weight 1.00000E+00 volume 4.93092E+05 ppm1 1.620 ppm2 2.874
ASSI { 542}
(( segid " A" and resid 49 and name HN ))
(( segid " A" and resid 49 and name HB1 ))
3.843 2.123 0.961 peak 542 weight 1.00000E+00 volume 3.64046E+05 ppm1 1.902 ppm2 8.273
ASSI { 502}
(( segid " A" and resid 49 and name HA ))
(( segid " A" and resid 49 and name HG1 ))
3.983 2.263 0.996 peak 502 weight 1.00000E+00 volume 2.75485E+05 ppm1 1.572 ppm2 3.710
ASSI { 504}
(( segid " A" and resid 49 and name HG1 ))
(( segid " A" and resid 49 and name HE2 ))
4.187 2.467 1.047 peak 504 weight 1.00000E+00 volume 1.96305E+05 ppm1 1.566 ppm2 2.777
ASSI { 507}
(( segid " A" and resid 49 and name HG1 ))
(( segid " A" and resid 49 and name HG2 ))
2.848 1.128 0.712 peak 507 weight 1.00000E+00 volume 1.01334E+06 ppm1 1.561 ppm2 1.291
ASSI { 497}
(( segid " A" and resid 49 and name HG2 ))
(( segid " A" and resid 49 and name HB1 ))
3.612 1.892 0.903 peak 497 weight 1.00000E+00 volume 4.16791E+05 ppm1 1.908 ppm2 1.296
ASSI { 531}
(( segid " A" and resid 49 and name HG1 ))
(( segid " A" and resid 49 and name HE2 ))
3.075 1.355 0.769 peak 531 weight 1.00000E+00 volume 1.48402E+06 ppm1 2.771 ppm2 1.573
OR { 531}
(( segid " A" and resid 49 and name HD1 ))
(( segid " A" and resid 49 and name HE2 ))
ASSI { 492}
(( segid " A" and resid 49 and name HN ))
(( segid " A" and resid 49 and name HA ))
4.085 2.365 1.021 peak 492 weight 1.00000E+00 volume 2.13535E+05 ppm1 3.714 ppm2 8.267
ASSI { 533}
(( segid " A" and resid 49 and name HB2 ))
(( segid " A" and resid 49 and name HE1 ))
4.222 2.502 1.056 peak 533 weight 1.00000E+00 volume 2.41566E+05 ppm1 2.879 ppm2 1.752
ASSI { 543}
(( segid " A" and resid 49 and name HN ))
(( segid " A" and resid 49 and name HG2 ))
4.254 2.534 1.064 peak 543 weight 1.00000E+00 volume 1.98988E+05 ppm1 1.293 ppm2 8.272
ASSI { 503}
(( segid " A" and resid 49 and name HG1 ))
(( segid " A" and resid 49 and name HE1 ))
4.280 2.560 1.070 peak 503 weight 1.00000E+00 volume 1.50589E+05 ppm1 1.561 ppm2 2.880
ASSI { 501}
(( segid " A" and resid 49 and name HG2 ))
(( segid " A" and resid 49 and name HE2 ))
4.041 2.321 1.010 peak 501 weight 1.00000E+00 volume 1.66538E+05 ppm1 1.295 ppm2 2.773
ASSI { 515}
(( segid " A" and resid 49 and name HA ))
( segid " A" and resid 49 and name HD# )
4.181 2.461 1.045 peak 515 weight 1.00000E+00 volume 2.35498E+05 ppm1 1.566 ppm2 3.709
ASSI { 485}
(( segid " A" and resid 49 and name HA ))
(( segid " A" and resid 49 and name HB1 ))
3.417 1.697 0.854 peak 485 weight 1.00000E+00 volume 4.72780E+05 ppm1 3.713 ppm2 1.898
ASSI { 534}
(( segid " A" and resid 49 and name HB2 ))
(( segid " A" and resid 49 and name HE2 ))
4.305 2.585 1.076 peak 534 weight 1.00000E+00 volume 2.33286E+05 ppm1 2.779 ppm2 1.758
ASSI { 516}
(( segid " A" and resid 49 and name HD1 ))
(( segid " A" and resid 49 and name HE1 ))
3.663 1.943 0.916 peak 516 weight 1.00000E+00 volume 4.89059E+05 ppm1 1.562 ppm2 2.879
ASSI { 446}
(( segid " A" and resid 49 and name HB1 ))
(( segid " A" and resid 49 and name HE2 ))
4.244 2.524 1.061 peak 446 weight 1.00000E+00 volume 1.86275E+05 ppm1 1.907 ppm2 2.766
ASSI { 544}
(( segid " A" and resid 49 and name HN ))
(( segid " A" and resid 49 and name HG1 ))
3.969 2.249 0.992 peak 544 weight 1.00000E+00 volume 2.32381E+05 ppm1 1.569 ppm2 8.280
ASSI { 487}
(( segid " A" and resid 49 and name HA ))
(( segid " A" and resid 49 and name HG1 ))
3.636 1.916 0.909 peak 487 weight 1.00000E+00 volume 5.40452E+05 ppm1 3.713 ppm2 1.574
OR { 487}
(( segid " A" and resid 49 and name HA ))
(( segid " A" and resid 49 and name HD1 ))
ASSI { 521}
(( segid " A" and resid 49 and name HD1 ))
(( segid " A" and resid 49 and name HB1 ))
3.561 1.841 0.890 peak 521 weight 1.00000E+00 volume 5.10838E+05 ppm1 1.562 ppm2 1.896
ASSI { 488}
(( segid " A" and resid 49 and name HA ))
(( segid " A" and resid 49 and name HG2 ))
3.883 2.163 0.971 peak 488 weight 1.00000E+00 volume 3.71851E+05 ppm1 3.713 ppm2 1.293
ASSI { 506}
(( segid " A" and resid 49 and name HG1 ))
(( segid " A" and resid 49 and name HB1 ))
3.347 1.627 0.837 peak 506 weight 1.00000E+00 volume 5.01858E+05 ppm1 1.566 ppm2 1.901
ASSI { 523}
(( segid " A" and resid 49 and name HD2 ))
(( segid " A" and resid 49 and name HG2 ))
2.998 1.278 0.749 peak 523 weight 1.00000E+00 volume 1.33992E+06 ppm1 1.625 ppm2 1.296
ASSI { 520}
(( segid " A" and resid 49 and name HD2 ))
(( segid " A" and resid 49 and name HE2 ))
3.639 1.919 0.910 peak 520 weight 1.00000E+00 volume 5.39883E+05 ppm1 1.620 ppm2 2.777
ASSI { 500}
(( segid " A" and resid 49 and name HG2 ))
(( segid " A" and resid 49 and name HE1 ))
3.868 2.148 0.967 peak 500 weight 1.00000E+00 volume 2.03411E+05 ppm1 1.293 ppm2 2.878
ASSI { 545}
(( segid " A" and resid 49 and name HN ))
(( segid " A" and resid 49 and name HD2 ))
4.424 2.704 1.106 peak 545 weight 1.00000E+00 volume 1.32369E+05 ppm1 1.618 ppm2 8.273
ASSI { 517}
(( segid " A" and resid 49 and name HD1 ))
(( segid " A" and resid 49 and name HE2 ))
3.646 1.926 0.911 peak 517 weight 1.00000E+00 volume 5.38459E+05 ppm1 1.562 ppm2 2.774
ASSI { 536}
(( segid " A" and resid 49 and name HB1 ))
(( segid " A" and resid 49 and name HE1 ))
4.125 2.405 1.031 peak 536 weight 1.00000E+00 volume 2.61636E+05 ppm1 2.876 ppm2 1.901
ASSI { 522}
(( segid " A" and resid 49 and name HD2 ))
(( segid " A" and resid 49 and name HB1 ))
3.455 1.735 0.864 peak 522 weight 1.00000E+00 volume 5.64995E+05 ppm1 1.620 ppm2 1.891
ASSI { 532}
(( segid " A" and resid 49 and name HD1 ))
(( segid " A" and resid 49 and name HE1 ))
3.055 1.335 0.764 peak 532 weight 1.00000E+00 volume 1.53162E+06 ppm1 2.881 ppm2 1.563
OR { 532}
(( segid " A" and resid 49 and name HG1 ))
(( segid " A" and resid 49 and name HE1 ))
ASSI { 525}
( segid " A" and resid 49 and name HD# )
(( segid " A" and resid 49 and name HB2 ))
3.360 1.640 0.840 peak 525 weight 1.00000E+00 volume 6.29656E+05 ppm1 1.563 ppm2 1.752
ASSI { 540}
(( segid " A" and resid 49 and name HE1 ))
(( segid " A" and resid 49 and name HE2 ))
2.439 0.719 0.610 peak 540 weight 1.00000E+00 volume 5.54739E+06 ppm1 2.771 ppm2 2.880
ASSI { 524}
( segid " A" and resid 49 and name HD# )
(( segid " A" and resid 49 and name HG2 ))
3.242 1.522 0.811 peak 524 weight 1.00000E+00 volume 1.02106E+06 ppm1 1.571 ppm2 1.291
ASSI { 486}
(( segid " A" and resid 49 and name HA ))
(( segid " A" and resid 49 and name HB2 ))
3.523 1.803 0.881 peak 486 weight 1.00000E+00 volume 5.82876E+05 ppm1 3.715 ppm2 1.752
ASSI { 100}
(( segid " A" and resid 49 and name HA ))
(( segid " A" and resid 53 and name HN ))
4.493 2.773 1.123 peak 100 weight 1.00000E+00 volume 5.50778E+04 ppm1 8.070 ppm2 3.709
ASSI { 1285}
(( segid " A" and resid 50 and name HN ))
( segid " A" and resid 46 and name HB# )
5.415 3.695 1.354 peak 1285 weight 1.00000E+00 volume 1.91342E+05 ppm1 1.498 ppm2 7.749
ASSI { 1289}
(( segid " A" and resid 50 and name HN ))
(( segid " A" and resid 46 and name HA ))
3.622 1.902 0.906 peak 1289 weight 1.00000E+00 volume 4.02765E+05 ppm1 4.003 ppm2 7.777
ASSI { 455}
(( segid " A" and resid 50 and name HG2 ))
(( segid " A" and resid 47 and name HA ))
4.130 2.410 1.032 peak 455 weight 1.00000E+00 volume 2.35419E+05 ppm1 1.390 ppm2 3.991
ASSI { 452}
(( segid " A" and resid 50 and name HG1 ))
(( segid " A" and resid 47 and name HA ))
4.070 2.350 1.018 peak 452 weight 1.00000E+00 volume 2.04144E+05 ppm1 1.574 ppm2 3.991
ASSI { 443}
( segid " A" and resid 50 and name HB# )
(( segid " A" and resid 47 and name HA ))
3.002 1.282 0.751 peak 443 weight 1.00000E+00 volume 1.19718E+06 ppm1 1.904 ppm2 3.979
ASSI { 12}
(( segid " A" and resid 50 and name HN ))
(( segid " A" and resid 47 and name HA ))
3.653 1.933 0.913 peak 12 weight 1.00000E+00 volume 1.36680E+05 ppm1 7.759 ppm2 3.982
ASSI { 38}
(( segid " A" and resid 50 and name HN ))
(( segid " A" and resid 48 and name HN ))
4.499 2.779 1.125 peak 38 weight 1.00000E+00 volume 4.89971E+04 ppm1 8.384 ppm2 7.762
ASSI { 1295}
(( segid " A" and resid 50 and name HN ))
(( segid " A" and resid 49 and name HG2 ))
5.074 3.354 1.268 peak 1295 weight 1.00000E+00 volume 7.96953E+04 ppm1 1.290 ppm2 7.757
ASSI { 13}
(( segid " A" and resid 50 and name HN ))
(( segid " A" and resid 49 and name HA ))
4.443 2.723 1.111 peak 13 weight 1.00000E+00 volume 5.68111E+04 ppm1 7.761 ppm2 3.709
ASSI { 138}
(( segid " A" and resid 50 and name HN ))
(( segid " A" and resid 49 and name HB2 ))
3.816 2.096 0.954 peak 138 weight 1.00000E+00 volume 1.26139E+05 ppm1 7.760 ppm2 1.760
ASSI { 137}
(( segid " A" and resid 50 and name HN ))
(( segid " A" and resid 49 and name HB1 ))
2.929 1.209 0.732 peak 137 weight 1.00000E+00 volume 7.20169E+05 ppm1 7.760 ppm2 1.903
OR { 137}
(( segid " A" and resid 50 and name HN ))
( segid " A" and resid 50 and name HB# )
ASSI { 134}
(( segid " A" and resid 50 and name HN ))
(( segid " A" and resid 49 and name HN ))
4.047 2.327 1.012 peak 134 weight 1.00000E+00 volume 9.43371E+04 ppm1 7.759 ppm2 8.260
ASSI { 139}
(( segid " A" and resid 50 and name HN ))
( segid " A" and resid 50 and name HD# )
3.966 2.246 0.991 peak 139 weight 1.00000E+00 volume 1.12617E+05 ppm1 7.758 ppm2 1.677
ASSI { 445}
( segid " A" and resid 50 and name HB# )
( segid " A" and resid 50 and name HE# )
3.357 1.637 0.839 peak 445 weight 1.00000E+00 volume 4.65952E+05 ppm1 1.906 ppm2 2.918
ASSI { 454}
(( segid " A" and resid 50 and name HG1 ))
( segid " A" and resid 50 and name HE# )
3.023 1.303 0.756 peak 454 weight 1.00000E+00 volume 5.68938E+05 ppm1 1.578 ppm2 2.926
ASSI { 450}
(( segid " A" and resid 50 and name HA ))
( segid " A" and resid 50 and name HD# )
3.599 1.879 0.900 peak 450 weight 1.00000E+00 volume 4.65157E+05 ppm1 4.085 ppm2 1.677
ASSI { 466}
(( segid " A" and resid 50 and name HG2 ))
( segid " A" and resid 50 and name HD# )
2.760 1.040 0.690 peak 466 weight 1.00000E+00 volume 2.35071E+06 ppm1 1.680 ppm2 1.390
ASSI { 441}
(( segid " A" and resid 50 and name HG2 ))
(( segid " A" and resid 50 and name HA ))
3.507 1.787 0.877 peak 441 weight 1.00000E+00 volume 6.54336E+05 ppm1 4.082 ppm2 1.388
ASSI { 473}
(( segid " A" and resid 50 and name HN ))
( segid " A" and resid 50 and name HE# )
4.586 2.866 1.147 peak 473 weight 1.00000E+00 volume 1.62153E+05 ppm1 2.925 ppm2 7.756
ASSI { 462}
(( segid " A" and resid 50 and name HA ))
(( segid " A" and resid 50 and name HD2 ))
3.774 2.054 0.944 peak 462 weight 1.00000E+00 volume 4.61895E+05 ppm1 1.678 ppm2 4.078
ASSI { 448}
(( segid " A" and resid 50 and name HA ))
( segid " A" and resid 50 and name HE# )
4.332 2.612 1.083 peak 448 weight 1.00000E+00 volume 1.41616E+05 ppm1 4.086 ppm2 2.928
ASSI { 451}
(( segid " A" and resid 50 and name HG1 ))
(( segid " A" and resid 50 and name HA ))
3.410 1.690 0.853 peak 451 weight 1.00000E+00 volume 8.16098E+05 ppm1 4.083 ppm2 1.575
ASSI { 477}
(( segid " A" and resid 50 and name HN ))
( segid " A" and resid 50 and name HB# )
3.051 1.331 0.763 peak 477 weight 1.00000E+00 volume 1.47489E+06 ppm1 1.905 ppm2 7.759
ASSI { 461}
( segid " A" and resid 50 and name HB# )
(( segid " A" and resid 50 and name HG2 ))
2.966 1.246 0.742 peak 461 weight 1.00000E+00 volume 1.56042E+06 ppm1 1.393 ppm2 1.888
ASSI { 457}
(( segid " A" and resid 50 and name HG1 ))
(( segid " A" and resid 50 and name HG2 ))
2.606 0.886 0.652 peak 457 weight 1.00000E+00 volume 3.79422E+06 ppm1 1.391 ppm2 1.578
ASSI { 463}
( segid " A" and resid 50 and name HD# )
( segid " A" and resid 50 and name HE# )
2.623 0.903 0.656 peak 463 weight 1.00000E+00 volume 2.64937E+06 ppm1 1.678 ppm2 2.924
ASSI { 11}
(( segid " A" and resid 50 and name HN ))
(( segid " A" and resid 50 and name HA ))
3.375 1.655 0.844 peak 11 weight 1.00000E+00 volume 2.41252E+05 ppm1 7.759 ppm2 4.078
ASSI { 440}
( segid " A" and resid 50 and name HB# )
(( segid " A" and resid 50 and name HA ))
2.842 1.122 0.711 peak 440 weight 1.00000E+00 volume 2.38960E+06 ppm1 4.083 ppm2 1.904
ASSI { 459}
(( segid " A" and resid 50 and name HG2 ))
( segid " A" and resid 50 and name HE# )
3.194 1.474 0.798 peak 459 weight 1.00000E+00 volume 9.05727E+05 ppm1 1.391 ppm2 2.924
ASSI { 460}
( segid " A" and resid 50 and name HB# )
(( segid " A" and resid 50 and name HG1 ))
3.140 1.420 0.785 peak 460 weight 1.00000E+00 volume 1.13748E+06 ppm1 1.578 ppm2 1.903
ASSI { 465}
( segid " A" and resid 50 and name HB# )
( segid " A" and resid 50 and name HD# )
2.905 1.185 0.726 peak 465 weight 1.00000E+00 volume 1.98070E+06 ppm1 1.680 ppm2 1.901
ASSI { 142}
(( segid " A" and resid 50 and name HN ))
(( segid " A" and resid 50 and name HG2 ))
3.985 2.265 0.996 peak 142 weight 1.00000E+00 volume 9.39308E+04 ppm1 7.761 ppm2 1.388
ASSI { 140}
(( segid " A" and resid 50 and name HN ))
(( segid " A" and resid 50 and name HG1 ))
3.519 1.799 0.880 peak 140 weight 1.00000E+00 volume 2.24317E+05 ppm1 7.760 ppm2 1.573
ASSI { 135}
(( segid " A" and resid 50 and name HN ))
(( segid " A" and resid 52 and name HN ))
4.751 3.031 1.188 peak 135 weight 1.00000E+00 volume 4.45213E+04 ppm1 7.763 ppm2 8.484
ASSI { 345}
(( segid " A" and resid 50 and name HB1 ))
( segid " A" and resid 54 and name HB# )
4.820 3.100 1.205 peak 345 weight 1.00000E+00 volume 2.41504E+05 ppm1 1.561 ppm2 1.899
ASSI { 424}
( segid " A" and resid 51 and name HD# )
( segid " A" and resid 30 and name HE# )
4.355 2.635 1.089 peak 424 weight 1.00000E+00 volume 1.41326E+06 ppm1 0.983 ppm2 7.245
ASSI { 425}
( segid " A" and resid 51 and name HD# )
(( segid " A" and resid 30 and name HZ ))
4.131 2.411 1.033 peak 425 weight 1.00000E+00 volume 9.87528E+05 ppm1 0.984 ppm2 7.111
ASSI { 15}
(( segid " A" and resid 51 and name HN ))
(( segid " A" and resid 47 and name HA ))
4.454 2.734 1.114 peak 15 weight 1.00000E+00 volume 5.17477E+04 ppm1 7.985 ppm2 3.971
ASSI { 22}
(( segid " A" and resid 51 and name HN ))
( segid " A" and resid 48 and name HB# )
5.736 4.016 1.434 peak 22 weight 1.00000E+00 volume 1.24540E+05 ppm1 0.425 ppm2 7.984
ASSI { 37}
(( segid " A" and resid 51 and name HN ))
(( segid " A" and resid 48 and name HN ))
4.844 3.124 1.211 peak 37 weight 1.00000E+00 volume 3.69106E+04 ppm1 8.387 ppm2 7.985
ASSI { 18}
(( segid " A" and resid 51 and name HN ))
(( segid " A" and resid 48 and name HA ))
4.561 2.841 1.140 peak 18 weight 1.00000E+00 volume 5.79743E+04 ppm1 7.985 ppm2 3.392
ASSI { 17}
(( segid " A" and resid 51 and name HN ))
(( segid " A" and resid 49 and name HA ))
5.307 3.587 1.327 peak 17 weight 1.00000E+00 volume 3.57947E+04 ppm1 7.991 ppm2 3.706
ASSI { 1525}
( segid " A" and resid 51 and name HD# )
(( segid " A" and resid 50 and name HE2 ))
6.310 4.590 1.577 peak 1525 weight 1.00000E+00 volume 8.62803E+04 ppm1 2.922 ppm2 0.959
ASSI { 131}
(( segid " A" and resid 51 and name HN ))
( segid " A" and resid 50 and name HB# )
3.382 1.662 0.845 peak 131 weight 1.00000E+00 volume 3.26793E+05 ppm1 7.986 ppm2 1.903
ASSI { 14}
(( segid " A" and resid 51 and name HN ))
(( segid " A" and resid 50 and name HA ))
3.813 2.093 0.953 peak 14 weight 1.00000E+00 volume 1.19362E+05 ppm1 7.987 ppm2 4.081
ASSI { 8}
(( segid " A" and resid 51 and name HN ))
(( segid " A" and resid 50 and name HN ))
3.619 1.899 0.905 peak 8 weight 1.00000E+00 volume 1.90706E+05 ppm1 7.987 ppm2 7.757
ASSI { 438}
(( segid " A" and resid 51 and name HN ))
(( segid " A" and resid 51 and name HA ))
3.497 1.777 0.874 peak 438 weight 1.00000E+00 volume 6.30279E+05 ppm1 4.166 ppm2 7.989
OR { 438}
(( segid " A" and resid 54 and name HN ))
(( segid " A" and resid 51 and name HA ))
ASSI { 393}
(( segid " A" and resid 51 and name HB1 ))
( segid " A" and resid 51 and name HD1#)
3.816 2.096 0.954 peak 393 weight 1.00000E+00 volume 1.67432E+06 ppm1 0.984 ppm2 1.648
ASSI { 398}
(( segid " A" and resid 51 and name HA ))
(( segid " A" and resid 51 and name HG ))
3.587 1.867 0.897 peak 398 weight 1.00000E+00 volume 2.70069E+05 ppm1 1.478 ppm2 4.166
ASSI { 399}
(( segid " A" and resid 51 and name HB2 ))
(( segid " A" and resid 51 and name HG ))
3.534 1.814 0.884 peak 399 weight 1.00000E+00 volume 4.91477E+05 ppm1 1.480 ppm2 1.801
ASSI { 406}
(( segid " A" and resid 51 and name HB2 ))
(( segid " A" and resid 51 and name HG ))
3.708 1.988 0.927 peak 406 weight 1.00000E+00 volume 3.84215E+05 ppm1 1.800 ppm2 1.480
OR { 406}
(( segid " A" and resid 22 and name HB1 ))
(( segid " A" and resid 51 and name HB2 ))
ASSI { 400}
(( segid " A" and resid 51 and name HB1 ))
(( segid " A" and resid 51 and name HG ))
3.362 1.642 0.841 peak 400 weight 1.00000E+00 volume 7.10039E+05 ppm1 1.483 ppm2 1.638
ASSI { 407}
(( segid " A" and resid 51 and name HB1 ))
(( segid " A" and resid 51 and name HB2 ))
3.362 1.642 0.840 peak 407 weight 1.00000E+00 volume 6.71869E+05 ppm1 1.802 ppm2 1.648
ASSI { 380}
(( segid " A" and resid 51 and name HG ))
( segid " A" and resid 51 and name HD# )
3.516 1.796 0.879 peak 380 weight 1.00000E+00 volume 1.92907E+06 ppm1 0.944 ppm2 1.479
ASSI { 377}
(( segid " A" and resid 51 and name HB2 ))
( segid " A" and resid 51 and name HD# )
4.006 2.286 1.002 peak 377 weight 1.00000E+00 volume 9.88435E+05 ppm1 0.944 ppm2 1.797
ASSI { 410}
(( segid " A" and resid 51 and name HA ))
(( segid " A" and resid 51 and name HB1 ))
3.265 1.545 0.816 peak 410 weight 1.00000E+00 volume 3.68346E+05 ppm1 1.645 ppm2 4.167
ASSI { 378}
(( segid " A" and resid 51 and name HB1 ))
( segid " A" and resid 51 and name HD# )
3.757 2.037 0.939 peak 378 weight 1.00000E+00 volume 1.47295E+06 ppm1 0.944 ppm2 1.639
ASSI { 433}
(( segid " A" and resid 51 and name HN ))
(( segid " A" and resid 51 and name HG ))
4.241 2.521 1.060 peak 433 weight 1.00000E+00 volume 1.84067E+05 ppm1 1.476 ppm2 7.983
ASSI { 392}
(( segid " A" and resid 51 and name HB2 ))
( segid " A" and resid 51 and name HD1#)
3.952 2.232 0.988 peak 392 weight 1.00000E+00 volume 1.39349E+06 ppm1 0.983 ppm2 1.797
ASSI { 127}
(( segid " A" and resid 51 and name HN ))
( segid " A" and resid 51 and name HD# )
4.364 2.644 1.091 peak 127 weight 1.00000E+00 volume 1.65141E+05 ppm1 7.988 ppm2 0.955
ASSI { 382}
(( segid " A" and resid 51 and name HA ))
( segid " A" and resid 51 and name HD# )
3.583 1.863 0.896 peak 382 weight 1.00000E+00 volume 1.54731E+06 ppm1 0.944 ppm2 4.166
ASSI { 413}
(( segid " A" and resid 51 and name HA ))
(( segid " A" and resid 51 and name HB2 ))
3.270 1.550 0.818 peak 413 weight 1.00000E+00 volume 3.06211E+05 ppm1 1.802 ppm2 4.156
ASSI { 130}
(( segid " A" and resid 51 and name HN ))
(( segid " A" and resid 51 and name HB1 ))
3.382 1.662 0.845 peak 130 weight 1.00000E+00 volume 2.52620E+05 ppm1 7.986 ppm2 1.645
ASSI { 76}
(( segid " A" and resid 51 and name HN ))
(( segid " A" and resid 51 and name HG ))
3.771 2.051 0.943 peak 76 weight 1.00000E+00 volume 1.17478E+05 ppm1 7.993 ppm2 1.486
OR { 76}
(( segid " A" and resid 54 and name HN ))
(( segid " A" and resid 51 and name HG ))
ASSI { 126}
(( segid " A" and resid 51 and name HN ))
(( segid " A" and resid 51 and name HA ))
3.417 1.697 0.854 peak 126 weight 1.00000E+00 volume 1.97668E+05 ppm1 7.985 ppm2 4.168
ASSI { 129}
(( segid " A" and resid 51 and name HN ))
(( segid " A" and resid 51 and name HB2 ))
3.562 1.842 0.891 peak 129 weight 1.00000E+00 volume 1.94450E+05 ppm1 7.987 ppm2 1.799
ASSI { 5}
(( segid " A" and resid 51 and name HN ))
(( segid " A" and resid 52 and name HN ))
3.765 2.045 0.941 peak 5 weight 1.00000E+00 volume 1.37099E+05 ppm1 7.988 ppm2 8.492
ASSI { 125}
(( segid " A" and resid 51 and name HN ))
(( segid " A" and resid 53 and name HN ))
3.404 1.684 0.851 peak 125 weight 1.00000E+00 volume 1.29431E+05 ppm1 7.988 ppm2 8.063
ASSI { 417}
(( segid " A" and resid 51 and name HA ))
( segid " A" and resid 54 and name HB# )
3.707 1.987 0.927 peak 417 weight 1.00000E+00 volume 1.34209E+06 ppm1 4.166 ppm2 1.564
ASSI { 305}
(( segid " A" and resid 52 and name HB2 ))
( segid " A" and resid 19 and name HD2#)
5.364 3.644 1.341 peak 305 weight 1.00000E+00 volume 1.49210E+05 ppm1 2.377 ppm2 0.663
ASSI { 304}
(( segid " A" and resid 52 and name HB2 ))
( segid " A" and resid 19 and name HD1#)
5.407 3.687 1.352 peak 304 weight 1.00000E+00 volume 1.73917E+05 ppm1 2.377 ppm2 0.783
OR { 304}
( segid " A" and resid 22 and name HD2#)
(( segid " A" and resid 52 and name HB2 ))
ASSI { 303}
(( segid " A" and resid 52 and name HB1 ))
( segid " A" and resid 19 and name HD2#)
5.499 3.779 1.375 peak 303 weight 1.00000E+00 volume 1.05940E+05 ppm1 3.086 ppm2 0.673
ASSI { 307}
(( segid " A" and resid 52 and name HA ))
( segid " A" and resid 19 and name HD2#)
5.322 3.602 1.331 peak 307 weight 1.00000E+00 volume 1.12227E+05 ppm1 3.903 ppm2 0.669
ASSI { 302}
(( segid " A" and resid 52 and name HB1 ))
( segid " A" and resid 19 and name HD1#)
5.161 3.441 1.290 peak 302 weight 1.00000E+00 volume 1.84947E+05 ppm1 3.087 ppm2 0.784
ASSI { 119}
(( segid " A" and resid 52 and name HN ))
( segid " A" and resid 19 and name HD2#)
5.568 3.848 1.392 peak 119 weight 1.00000E+00 volume 6.24965E+04 ppm1 8.486 ppm2 0.663
ASSI { 559}
(( segid " A" and resid 52 and name HD21))
( segid " A" and resid 19 and name HD1#)
5.018 3.298 1.254 peak 559 weight 1.00000E+00 volume 8.14486E+04 ppm1 7.894 ppm2 0.779
ASSI { 667}
(( segid " A" and resid 52 and name HD21))
( segid " A" and resid 19 and name HD2#)
5.764 4.044 1.441 peak 667 weight 1.00000E+00 volume 3.78803E+04 ppm1 7.891 ppm2 0.668
ASSI { 560}
(( segid " A" and resid 52 and name HD22))
( segid " A" and resid 19 and name HD1#)
5.168 3.448 1.292 peak 560 weight 1.00000E+00 volume 6.92386E+04 ppm1 6.630 ppm2 0.779
ASSI { 562}
(( segid " A" and resid 52 and name HD22))
(( segid " A" and resid 20 and name HD1 ))
4.442 2.722 1.110 peak 562 weight 1.00000E+00 volume 4.83183E+04 ppm1 6.625 ppm2 3.703
ASSI { 174}
(( segid " A" and resid 52 and name HD22))
(( segid " A" and resid 20 and name HD2 ))
4.831 3.111 1.208 peak 174 weight 1.00000E+00 volume 8.21117E+04 ppm1 3.931 ppm2 6.641
ASSI { 177}
(( segid " A" and resid 52 and name HD22))
(( segid " A" and resid 20 and name HG2 ))
4.879 3.159 1.220 peak 177 weight 1.00000E+00 volume 8.48235E+04 ppm1 2.009 ppm2 6.639
ASSI { 176}
(( segid " A" and resid 52 and name HD22))
(( segid " A" and resid 20 and name HG1 ))
4.921 3.201 1.230 peak 176 weight 1.00000E+00 volume 7.66969E+04 ppm1 2.120 ppm2 6.629
ASSI { 564}
(( segid " A" and resid 52 and name HD21))
(( segid " A" and resid 20 and name HD1 ))
4.462 2.742 1.115 peak 564 weight 1.00000E+00 volume 5.39824E+04 ppm1 7.890 ppm2 3.706
ASSI { 311}
(( segid " A" and resid 52 and name HA ))
(( segid " A" and resid 21 and name HB2 ))
4.026 2.306 1.007 peak 311 weight 1.00000E+00 volume 2.90293E+05 ppm1 3.902 ppm2 2.854
ASSI { 675}
(( segid " A" and resid 52 and name HD21))
(( segid " A" and resid 21 and name HD21))
5.101 3.381 1.275 peak 675 weight 1.00000E+00 volume 2.48002E+04 ppm1 6.957 ppm2 7.885
ASSI { 671}
(( segid " A" and resid 52 and name HD21))
(( segid " A" and resid 21 and name HD22))
5.011 3.291 1.253 peak 671 weight 1.00000E+00 volume 1.64521E+04 ppm1 7.889 ppm2 7.337
ASSI { 669}
(( segid " A" and resid 52 and name HD22))
(( segid " A" and resid 21 and name HD21))
4.748 3.028 1.187 peak 669 weight 1.00000E+00 volume 1.79482E+04 ppm1 6.626 ppm2 6.959
ASSI { 670}
(( segid " A" and resid 52 and name HD22))
(( segid " A" and resid 21 and name HD22))
4.749 3.029 1.187 peak 670 weight 1.00000E+00 volume 2.38462E+04 ppm1 6.630 ppm2 7.340
ASSI { 115}
(( segid " A" and resid 52 and name HN ))
(( segid " A" and resid 22 and name HB1 ))
4.778 3.058 1.195 peak 115 weight 1.00000E+00 volume 3.97969E+04 ppm1 8.491 ppm2 1.473
ASSI { 21}
(( segid " A" and resid 52 and name HN ))
(( segid " A" and resid 49 and name HA ))
4.284 2.564 1.071 peak 21 weight 1.00000E+00 volume 7.20292E+04 ppm1 8.488 ppm2 3.709
ASSI { 1531}
(( segid " A" and resid 52 and name HB1 ))
(( segid " A" and resid 49 and name HB2 ))
6.017 4.297 1.504 peak 1531 weight 1.00000E+00 volume 2.71184E+04 ppm1 1.757 ppm2 3.080
ASSI { 299}
(( segid " A" and resid 52 and name HB2 ))
(( segid " A" and resid 49 and name HA ))
4.489 2.769 1.122 peak 299 weight 1.00000E+00 volume 1.19725E+05 ppm1 2.378 ppm2 3.714
ASSI { 1462}
(( segid " A" and resid 52 and name HB1 ))
(( segid " A" and resid 49 and name HB1 ))
5.396 3.676 1.349 peak 1462 weight 1.00000E+00 volume 4.42431E+04 ppm1 1.903 ppm2 3.087
ASSI { 297}
(( segid " A" and resid 52 and name HB1 ))
(( segid " A" and resid 49 and name HA ))
4.166 2.446 1.041 peak 297 weight 1.00000E+00 volume 1.31139E+05 ppm1 3.088 ppm2 3.707
ASSI { 111}
(( segid " A" and resid 52 and name HN ))
(( segid " A" and resid 49 and name HB1 ))
4.656 2.936 1.164 peak 111 weight 1.00000E+00 volume 5.05280E+04 ppm1 8.486 ppm2 1.897
ASSI { 432}
(( segid " A" and resid 52 and name HN ))
(( segid " A" and resid 51 and name HG ))
4.540 2.820 1.135 peak 432 weight 1.00000E+00 volume 1.30044E+05 ppm1 1.479 ppm2 8.488
ASSI { 19}
(( segid " A" and resid 52 and name HN ))
(( segid " A" and resid 51 and name HA ))
4.330 2.610 1.082 peak 19 weight 1.00000E+00 volume 4.20191E+04 ppm1 8.488 ppm2 4.165
ASSI { 113}
(( segid " A" and resid 52 and name HN ))
(( segid " A" and resid 51 and name HB1 ))
4.146 2.426 1.037 peak 113 weight 1.00000E+00 volume 6.63529E+04 ppm1 8.487 ppm2 1.645
ASSI { 112}
(( segid " A" and resid 52 and name HN ))
(( segid " A" and resid 51 and name HB2 ))
4.230 2.510 1.058 peak 112 weight 1.00000E+00 volume 6.85718E+04 ppm1 8.481 ppm2 1.794
ASSI { 116}
(( segid " A" and resid 52 and name HN ))
( segid " A" and resid 51 and name HD# )
4.835 3.115 1.209 peak 116 weight 1.00000E+00 volume 4.74060E+04 ppm1 8.489 ppm2 0.955
ASSI { 318}
(( segid " A" and resid 52 and name HD21))
(( segid " A" and resid 52 and name HB2 ))
4.762 3.042 1.191 peak 318 weight 1.00000E+00 volume 9.49392E+04 ppm1 2.379 ppm2 7.899
ASSI { 565}
(( segid " A" and resid 52 and name HD21))
(( segid " A" and resid 52 and name HB1 ))
4.476 2.756 1.119 peak 565 weight 1.00000E+00 volume 3.88735E+04 ppm1 7.890 ppm2 3.091
ASSI { 298}
(( segid " A" and resid 52 and name HB2 ))
(( segid " A" and resid 52 and name HA ))
4.015 2.295 1.004 peak 298 weight 1.00000E+00 volume 1.25475E+05 ppm1 2.379 ppm2 3.904
ASSI { 319}
(( segid " A" and resid 52 and name HD22))
(( segid " A" and resid 52 and name HB2 ))
4.913 3.193 1.228 peak 319 weight 1.00000E+00 volume 7.45565E+04 ppm1 2.374 ppm2 6.626
ASSI { 22}
(( segid " A" and resid 52 and name HB1 ))
(( segid " A" and resid 52 and name HN ))
4.075 2.355 1.019 peak 22 weight 1.00000E+00 volume 8.50828E+04 ppm1 8.488 ppm2 3.087
ASSI { 110}
(( segid " A" and resid 52 and name HB2 ))
(( segid " A" and resid 52 and name HN ))
4.155 2.435 1.039 peak 110 weight 1.00000E+00 volume 7.81806E+04 ppm1 8.488 ppm2 2.375
ASSI { 300}
(( segid " A" and resid 52 and name HB1 ))
(( segid " A" and resid 52 and name HB2 ))
4.379 2.659 1.095 peak 300 weight 1.00000E+00 volume 1.54496E+05 ppm1 2.376 ppm2 3.086
ASSI { 295}
(( segid " A" and resid 52 and name HB1 ))
(( segid " A" and resid 52 and name HA ))
4.137 2.417 1.034 peak 295 weight 1.00000E+00 volume 8.00604E+04 ppm1 3.089 ppm2 3.898
ASSI { 563}
(( segid " A" and resid 52 and name HD22))
(( segid " A" and resid 52 and name HB1 ))
4.699 2.979 1.175 peak 563 weight 1.00000E+00 volume 3.08716E+04 ppm1 6.633 ppm2 3.092
ASSI { 557}
(( segid " A" and resid 52 and name HD22))
(( segid " A" and resid 52 and name HD21))
3.716 1.996 0.929 peak 557 weight 1.00000E+00 volume 1.54115E+05 ppm1 6.632 ppm2 7.890
ASSI { 20}
(( segid " A" and resid 52 and name HN ))
(( segid " A" and resid 52 and name HA ))
3.816 2.096 0.954 peak 20 weight 1.00000E+00 volume 9.20599E+04 ppm1 8.489 ppm2 3.897
ASSI { 561}
(( segid " A" and resid 52 and name HD22))
(( segid " A" and resid 52 and name HA ))
4.763 3.043 1.191 peak 561 weight 1.00000E+00 volume 3.38755E+04 ppm1 6.622 ppm2 3.918
ASSI { 4}
(( segid " A" and resid 52 and name HD21))
(( segid " A" and resid 52 and name HN ))
4.380 2.660 1.095 peak 4 weight 1.00000E+00 volume 5.82108E+04 ppm1 8.487 ppm2 7.892
ASSI { 101}
(( segid " A" and resid 52 and name HB1 ))
(( segid " A" and resid 53 and name HN ))
4.185 2.465 1.046 peak 101 weight 1.00000E+00 volume 7.97029E+04 ppm1 8.065 ppm2 3.080
ASSI { 104}
(( segid " A" and resid 52 and name HB2 ))
(( segid " A" and resid 53 and name HN ))
4.489 2.769 1.122 peak 104 weight 1.00000E+00 volume 4.77799E+04 ppm1 8.068 ppm2 2.366
ASSI { 2}
(( segid " A" and resid 52 and name HN ))
(( segid " A" and resid 53 and name HN ))
3.782 2.062 0.945 peak 2 weight 1.00000E+00 volume 1.14964E+05 ppm1 8.490 ppm2 8.063
ASSI { 93}
(( segid " A" and resid 52 and name HD21))
(( segid " A" and resid 53 and name HN ))
4.124 2.404 1.031 peak 93 weight 1.00000E+00 volume 7.13412E+04 ppm1 8.068 ppm2 7.889
ASSI { 99}
(( segid " A" and resid 52 and name HA ))
(( segid " A" and resid 53 and name HN ))
4.348 2.628 1.087 peak 99 weight 1.00000E+00 volume 6.32284E+04 ppm1 8.069 ppm2 3.900
ASSI { 95}
(( segid " A" and resid 52 and name HD22))
(( segid " A" and resid 53 and name HN ))
4.600 2.880 1.150 peak 95 weight 1.00000E+00 volume 4.54894E+04 ppm1 8.066 ppm2 6.623
ASSI { 114}
(( segid " A" and resid 52 and name HN ))
( segid " A" and resid 54 and name HB# )
4.782 3.062 1.196 peak 114 weight 1.00000E+00 volume 5.60222E+04 ppm1 8.488 ppm2 1.564
OR { 114}
(( segid " A" and resid 52 and name HN ))
(( segid " A" and resid 49 and name HD1 ))
OR { 114}
(( segid " A" and resid 52 and name HN ))
(( segid " A" and resid 49 and name HG1 ))
ASSI { 53}
(( segid " A" and resid 52 and name HD22))
( segid " A" and resid 56 and name HB# )
5.639 3.919 1.410 peak 53 weight 1.00000E+00 volume 1.54632E+05 ppm1 1.411 ppm2 6.638
ASSI { 366}
(( segid " A" and resid 53 and name HB1 ))
(( segid " A" and resid 49 and name HD1 ))
4.434 2.714 1.108 peak 366 weight 1.00000E+00 volume 1.30186E+05 ppm1 2.728 ppm2 1.568
OR { 366}
(( segid " A" and resid 53 and name HB1 ))
(( segid " A" and resid 49 and name HG1 ))
ASSI { 106}
(( segid " A" and resid 53 and name HN ))
(( segid " A" and resid 49 and name HG1 ))
4.022 2.302 1.005 peak 106 weight 1.00000E+00 volume 1.15975E+05 ppm1 8.067 ppm2 1.561
OR { 106}
(( segid " A" and resid 53 and name HN ))
(( segid " A" and resid 49 and name HD1 ))
ASSI { 357}
(( segid " A" and resid 53 and name HB1 ))
(( segid " A" and resid 50 and name HA ))
3.430 1.710 0.857 peak 357 weight 1.00000E+00 volume 2.03473E+05 ppm1 2.739 ppm2 4.080
ASSI { 358}
(( segid " A" and resid 53 and name HB2 ))
(( segid " A" and resid 50 and name HA ))
3.482 1.762 0.870 peak 358 weight 1.00000E+00 volume 2.03628E+05 ppm1 2.681 ppm2 4.081
ASSI { 98}
(( segid " A" and resid 53 and name HN ))
(( segid " A" and resid 50 and name HA ))
3.710 1.990 0.928 peak 98 weight 1.00000E+00 volume 9.19129E+04 ppm1 8.066 ppm2 4.077
ASSI { 105}
(( segid " A" and resid 53 and name HN ))
( segid " A" and resid 50 and name HB# )
4.468 2.748 1.117 peak 105 weight 1.00000E+00 volume 5.32630E+04 ppm1 8.069 ppm2 1.905
ASSI { 364}
(( segid " A" and resid 53 and name HB1 ))
(( segid " A" and resid 53 and name HB2 ))
2.712 0.992 0.678 peak 364 weight 1.00000E+00 volume 1.40590E+06 ppm1 2.680 ppm2 2.743
ASSI { 103}
(( segid " A" and resid 53 and name HB2 ))
(( segid " A" and resid 53 and name HN ))
3.438 1.718 0.860 peak 103 weight 1.00000E+00 volume 2.25325E+05 ppm1 8.070 ppm2 2.685
ASSI { 360}
(( segid " A" and resid 53 and name HB1 ))
(( segid " A" and resid 53 and name HA ))
3.297 1.577 0.824 peak 360 weight 1.00000E+00 volume 3.20372E+05 ppm1 2.742 ppm2 4.441
ASSI { 359}
(( segid " A" and resid 53 and name HB2 ))
(( segid " A" and resid 53 and name HA ))
3.282 1.562 0.821 peak 359 weight 1.00000E+00 volume 2.78667E+05 ppm1 2.675 ppm2 4.433
ASSI { 102}
(( segid " A" and resid 53 and name HB1 ))
(( segid " A" and resid 53 and name HN ))
3.438 1.718 0.859 peak 102 weight 1.00000E+00 volume 2.27561E+05 ppm1 8.068 ppm2 2.729
ASSI { 96}
(( segid " A" and resid 53 and name HN ))
(( segid " A" and resid 53 and name HA ))
3.618 1.898 0.905 peak 96 weight 1.00000E+00 volume 1.87717E+05 ppm1 8.070 ppm2 4.435
ASSI { 340}
(( segid " A" and resid 53 and name HB1 ))
( segid " A" and resid 54 and name HB# )
4.714 2.994 1.179 peak 340 weight 1.00000E+00 volume 3.26269E+05 ppm1 1.561 ppm2 2.725
ASSI { 341}
(( segid " A" and resid 53 and name HB1 ))
(( segid " A" and resid 54 and name HA ))
4.322 2.602 1.081 peak 341 weight 1.00000E+00 volume 1.51804E+05 ppm1 4.209 ppm2 2.734
ASSI { 367}
(( segid " A" and resid 53 and name HB2 ))
( segid " A" and resid 54 and name HB# )
4.534 2.814 1.133 peak 367 weight 1.00000E+00 volume 1.38606E+05 ppm1 2.680 ppm2 1.564
OR { 367}
(( segid " A" and resid 53 and name HB2 ))
(( segid " A" and resid 49 and name HG1 ))
OR { 367}
(( segid " A" and resid 53 and name HB2 ))
(( segid " A" and resid 50 and name HG1 ))
OR { 367}
(( segid " A" and resid 53 and name HB2 ))
(( segid " A" and resid 49 and name HD1 ))
ASSI { 342}
(( segid " A" and resid 53 and name HB2 ))
(( segid " A" and resid 54 and name HA ))
4.308 2.588 1.077 peak 342 weight 1.00000E+00 volume 1.92778E+05 ppm1 4.209 ppm2 2.679
ASSI { 664}
(( segid " A" and resid 53 and name HB1 ))
(( segid " A" and resid 55 and name HN ))
4.757 3.037 1.189 peak 664 weight 1.00000E+00 volume 4.35271E+04 ppm1 7.529 ppm2 2.733
ASSI { 86}
(( segid " A" and resid 53 and name HB2 ))
( segid " A" and resid 56 and name HB# )
5.168 3.448 1.292 peak 86 weight 1.00000E+00 volume 2.48279E+05 ppm1 1.409 ppm2 2.703
ASSI { 54}
(( segid " A" and resid 53 and name HA ))
( segid " A" and resid 56 and name HB# )
4.151 2.431 1.038 peak 54 weight 1.00000E+00 volume 9.03561E+05 ppm1 1.410 ppm2 4.423
ASSI { 107}
(( segid " A" and resid 53 and name HN ))
( segid " A" and resid 56 and name HB# )
5.714 3.994 1.429 peak 107 weight 1.00000E+00 volume 4.42772E+04 ppm1 8.064 ppm2 1.407
ASSI { 71}
(( segid " A" and resid 54 and name HN ))
(( segid " A" and resid 50 and name HA ))
3.712 1.992 0.928 peak 71 weight 1.00000E+00 volume 1.14483E+05 ppm1 7.987 ppm2 4.093
ASSI { 343}
( segid " A" and resid 54 and name HB# )
( segid " A" and resid 51 and name HD# )
4.510 2.790 1.127 peak 343 weight 1.00000E+00 volume 1.44983E+06 ppm1 1.562 ppm2 0.950
ASSI { 379}
( segid " A" and resid 54 and name HB# )
( segid " A" and resid 51 and name HD2#)
4.379 2.659 1.095 peak 379 weight 1.00000E+00 volume 1.68443E+06 ppm1 0.944 ppm2 1.560
ASSI { 132}
(( segid " A" and resid 54 and name HN ))
(( segid " A" and resid 51 and name HA ))
3.280 1.560 0.820 peak 132 weight 1.00000E+00 volume 2.39923E+05 ppm1 7.991 ppm2 4.156
ASSI { 16}
(( segid " A" and resid 54 and name HN ))
(( segid " A" and resid 52 and name HA ))
4.773 3.053 1.193 peak 16 weight 1.00000E+00 volume 4.14676E+04 ppm1 7.986 ppm2 3.899
OR { 16}
(( segid " A" and resid 51 and name HN ))
(( segid " A" and resid 52 and name HA ))
ASSI { 3}
(( segid " A" and resid 54 and name HN ))
(( segid " A" and resid 52 and name HN ))
3.685 1.965 0.921 peak 3 weight 1.00000E+00 volume 1.69036E+05 ppm1 8.488 ppm2 7.984
OR { 3}
(( segid " A" and resid 51 and name HN ))
(( segid " A" and resid 52 and name HN ))
ASSI { 72}
(( segid " A" and resid 54 and name HN ))
(( segid " A" and resid 53 and name HB1 ))
3.568 1.848 0.892 peak 72 weight 1.00000E+00 volume 1.78882E+05 ppm1 7.993 ppm2 2.725
ASSI { 68}
(( segid " A" and resid 54 and name HN ))
(( segid " A" and resid 53 and name HA ))
3.928 2.208 0.982 peak 68 weight 1.00000E+00 volume 1.11754E+05 ppm1 7.993 ppm2 4.436
ASSI { 66}
(( segid " A" and resid 54 and name HN ))
(( segid " A" and resid 53 and name HN ))
3.240 1.520 0.810 peak 66 weight 1.00000E+00 volume 3.17864E+05 ppm1 7.991 ppm2 8.062
ASSI { 73}
(( segid " A" and resid 54 and name HN ))
(( segid " A" and resid 53 and name HB2 ))
3.539 1.819 0.885 peak 73 weight 1.00000E+00 volume 1.82035E+05 ppm1 7.994 ppm2 2.685
ASSI { 334}
( segid " A" and resid 54 and name HB# )
(( segid " A" and resid 54 and name HA ))
3.173 1.453 0.793 peak 334 weight 1.00000E+00 volume 3.69065E+06 ppm1 4.211 ppm2 1.561
ASSI { 70}
(( segid " A" and resid 54 and name HN ))
(( segid " A" and resid 54 and name HA ))
3.150 1.430 0.787 peak 70 weight 1.00000E+00 volume 3.86918E+05 ppm1 7.993 ppm2 4.202
ASSI { 75}
(( segid " A" and resid 54 and name HN ))
( segid " A" and resid 54 and name HB# )
3.396 1.676 0.849 peak 75 weight 1.00000E+00 volume 8.82647E+05 ppm1 7.993 ppm2 1.561
ASSI { 354}
( segid " A" and resid 54 and name HB# )
(( segid " A" and resid 55 and name HA ))
4.825 3.105 1.206 peak 354 weight 1.00000E+00 volume 2.95396E+05 ppm1 1.561 ppm2 4.335
ASSI { 7}
(( segid " A" and resid 54 and name HN ))
(( segid " A" and resid 55 and name HN ))
3.423 1.703 0.856 peak 7 weight 1.00000E+00 volume 2.64947E+05 ppm1 7.993 ppm2 7.526
ASSI { 45}
(( segid " A" and resid 54 and name HN ))
(( segid " A" and resid 56 and name HN ))
4.123 2.403 1.031 peak 45 weight 1.00000E+00 volume 8.95900E+04 ppm1 7.117 ppm2 7.993
ASSI { 832}
(( segid " A" and resid 55 and name HE22))
(( segid " A" and resid 22 and name HG ))
4.823 3.103 1.206 peak 832 weight 1.00000E+00 volume 7.43222E+04 ppm1 1.687 ppm2 8.500
ASSI { 552}
(( segid " A" and resid 55 and name HE21))
(( segid " A" and resid 22 and name HA ))
4.425 2.705 1.106 peak 552 weight 1.00000E+00 volume 3.93586E+04 ppm1 7.355 ppm2 4.502
ASSI { 665}
(( segid " A" and resid 55 and name HE22))
(( segid " A" and resid 22 and name HA ))
4.848 3.128 1.212 peak 665 weight 1.00000E+00 volume 2.93334E+04 ppm1 8.479 ppm2 4.500
ASSI { 677}
(( segid " A" and resid 55 and name HE21))
(( segid " A" and resid 26 and name HE22))
5.239 3.519 1.310 peak 677 weight 1.00000E+00 volume 2.80629E+04 ppm1 7.354 ppm2 7.635
ASSI { 676}
(( segid " A" and resid 55 and name HE22))
(( segid " A" and resid 26 and name HE22))
4.972 3.252 1.243 peak 676 weight 1.00000E+00 volume 2.93242E+04 ppm1 7.634 ppm2 8.482
ASSI { 678}
(( segid " A" and resid 55 and name HE22))
(( segid " A" and resid 26 and name HE21))
5.037 3.317 1.259 peak 678 weight 1.00000E+00 volume 2.96038E+04 ppm1 8.480 ppm2 8.173
ASSI { 274}
(( segid " A" and resid 55 and name HG1 ))
( segid " A" and resid 51 and name HD# )
4.818 3.098 1.205 peak 274 weight 1.00000E+00 volume 1.73549E+05 ppm1 2.625 ppm2 0.950
ASSI { 418}
(( segid " A" and resid 55 and name HN ))
(( segid " A" and resid 51 and name HA ))
4.714 2.994 1.178 peak 418 weight 1.00000E+00 volume 1.04250E+05 ppm1 4.166 ppm2 7.535
ASSI { 86}
(( segid " A" and resid 55 and name HN ))
( segid " A" and resid 51 and name HD# )
5.245 3.525 1.311 peak 86 weight 1.00000E+00 volume 8.16024E+04 ppm1 7.532 ppm2 0.949
ASSI { 308}
(( segid " A" and resid 55 and name HB1 ))
(( segid " A" and resid 52 and name HA ))
4.482 2.762 1.121 peak 308 weight 1.00000E+00 volume 1.30916E+05 ppm1 3.901 ppm2 1.778
ASSI { 121}
(( segid " A" and resid 55 and name HN ))
(( segid " A" and resid 52 and name HA ))
4.387 2.667 1.097 peak 121 weight 1.00000E+00 volume 5.50238E+04 ppm1 7.523 ppm2 3.903
ASSI { 94}
(( segid " A" and resid 55 and name HN ))
(( segid " A" and resid 53 and name HN ))
4.035 2.315 1.009 peak 94 weight 1.00000E+00 volume 4.17353E+04 ppm1 8.072 ppm2 7.525
ASSI { 338}
(( segid " A" and resid 55 and name HB2 ))
( segid " A" and resid 54 and name HB# )
5.456 3.736 1.364 peak 338 weight 1.00000E+00 volume 1.54485E+05 ppm1 1.560 ppm2 2.459
ASSI { 278}
(( segid " A" and resid 55 and name HG2 ))
( segid " A" and resid 54 and name HB# )
4.873 3.153 1.218 peak 278 weight 1.00000E+00 volume 1.46336E+05 ppm1 2.278 ppm2 1.565
ASSI { 337}
(( segid " A" and resid 55 and name HG1 ))
( segid " A" and resid 54 and name HB# )
4.418 2.698 1.104 peak 337 weight 1.00000E+00 volume 5.01106E+05 ppm1 1.562 ppm2 2.644
ASSI { 65}
(( segid " A" and resid 55 and name HN ))
(( segid " A" and resid 54 and name HA ))
3.724 2.004 0.931 peak 65 weight 1.00000E+00 volume 1.54592E+05 ppm1 7.529 ppm2 4.206
ASSI { 347}
(( segid " A" and resid 55 and name HE22))
( segid " A" and resid 54 and name HB# )
5.512 3.792 1.378 peak 347 weight 1.00000E+00 volume 1.50807E+05 ppm1 1.563 ppm2 8.485
ASSI { 83}
(( segid " A" and resid 55 and name HN ))
( segid " A" and resid 54 and name HB# )
4.018 2.298 1.004 peak 83 weight 1.00000E+00 volume 3.52378E+05 ppm1 7.530 ppm2 1.560
ASSI { 291}
(( segid " A" and resid 55 and name HG2 ))
(( segid " A" and resid 55 and name HE21))
4.683 2.963 1.171 peak 291 weight 1.00000E+00 volume 9.82578E+04 ppm1 2.283 ppm2 7.348
ASSI { 286}
(( segid " A" and resid 55 and name HE21))
(( segid " A" and resid 55 and name HB2 ))
4.507 2.787 1.127 peak 286 weight 1.00000E+00 volume 1.30510E+05 ppm1 2.464 ppm2 7.338
OR { 286}
(( segid " A" and resid 21 and name HD22))
(( segid " A" and resid 55 and name HB2 ))
ASSI { 262}
(( segid " A" and resid 55 and name HG1 ))
(( segid " A" and resid 55 and name HB1 ))
4.148 2.428 1.037 peak 262 weight 1.00000E+00 volume 1.65732E+05 ppm1 1.771 ppm2 2.618
ASSI { 78}
(( segid " A" and resid 55 and name HG1 ))
(( segid " A" and resid 55 and name HN ))
3.653 1.933 0.913 peak 78 weight 1.00000E+00 volume 1.57702E+05 ppm1 7.530 ppm2 2.626
ASSI { 266}
(( segid " A" and resid 55 and name HG1 ))
(( segid " A" and resid 55 and name HB2 ))
3.879 2.159 0.970 peak 266 weight 1.00000E+00 volume 2.18280E+05 ppm1 2.463 ppm2 2.622
ASSI { 261}
(( segid " A" and resid 55 and name HG2 ))
(( segid " A" and resid 55 and name HB1 ))
3.943 2.223 0.986 peak 261 weight 1.00000E+00 volume 1.51894E+05 ppm1 1.772 ppm2 2.288
ASSI { 81}
(( segid " A" and resid 55 and name HN ))
(( segid " A" and resid 55 and name HB1 ))
3.670 1.950 0.918 peak 81 weight 1.00000E+00 volume 1.49439E+05 ppm1 7.530 ppm2 1.766
ASSI { 63}
(( segid " A" and resid 55 and name HN ))
(( segid " A" and resid 55 and name HA ))
3.506 1.786 0.877 peak 63 weight 1.00000E+00 volume 2.26430E+05 ppm1 7.530 ppm2 4.360
ASSI { 271}
(( segid " A" and resid 55 and name HG1 ))
(( segid " A" and resid 55 and name HG2 ))
3.408 1.688 0.852 peak 271 weight 1.00000E+00 volume 6.04480E+05 ppm1 2.626 ppm2 2.281
ASSI { 293}
(( segid " A" and resid 55 and name HG2 ))
(( segid " A" and resid 55 and name HE22))
4.561 2.841 1.140 peak 293 weight 1.00000E+00 volume 9.33069E+04 ppm1 2.287 ppm2 8.510
ASSI { 263}
(( segid " A" and resid 55 and name HB1 ))
(( segid " A" and resid 55 and name HB2 ))
4.078 2.358 1.019 peak 263 weight 1.00000E+00 volume 2.13790E+05 ppm1 1.772 ppm2 2.459
ASSI { 288}
(( segid " A" and resid 55 and name HE21))
(( segid " A" and resid 55 and name HB1 ))
4.584 2.864 1.146 peak 288 weight 1.00000E+00 volume 1.14883E+05 ppm1 1.774 ppm2 7.339
OR { 288}
(( segid " A" and resid 21 and name HD22))
(( segid " A" and resid 55 and name HB1 ))
ASSI { 294}
(( segid " A" and resid 55 and name HG1 ))
(( segid " A" and resid 55 and name HE21))
4.824 3.104 1.206 peak 294 weight 1.00000E+00 volume 7.09943E+04 ppm1 2.630 ppm2 7.356
ASSI { 269}
(( segid " A" and resid 55 and name HG2 ))
(( segid " A" and resid 55 and name HA ))
3.346 1.626 0.837 peak 269 weight 1.00000E+00 volume 7.06917E+05 ppm1 4.362 ppm2 2.279
ASSI { 259}
(( segid " A" and resid 55 and name HB2 ))
(( segid " A" and resid 55 and name HA ))
3.619 1.899 0.905 peak 259 weight 1.00000E+00 volume 1.89157E+05 ppm1 2.457 ppm2 4.356
ASSI { 265}
(( segid " A" and resid 55 and name HG2 ))
(( segid " A" and resid 55 and name HB2 ))
3.858 2.138 0.965 peak 265 weight 1.00000E+00 volume 2.51137E+05 ppm1 2.461 ppm2 2.281
ASSI { 267}
(( segid " A" and resid 55 and name HG1 ))
(( segid " A" and resid 55 and name HA ))
3.320 1.600 0.830 peak 267 weight 1.00000E+00 volume 7.10909E+05 ppm1 4.362 ppm2 2.621
ASSI { 260}
(( segid " A" and resid 55 and name HB1 ))
(( segid " A" and resid 55 and name HA ))
3.769 2.049 0.942 peak 260 weight 1.00000E+00 volume 1.23575E+05 ppm1 1.772 ppm2 4.357
ASSI { 556}
(( segid " A" and resid 55 and name HE22))
(( segid " A" and resid 55 and name HB2 ))
4.478 2.758 1.120 peak 556 weight 1.00000E+00 volume 4.21124E+04 ppm1 8.486 ppm2 2.455
ASSI { 555}
(( segid " A" and resid 55 and name HE21))
(( segid " A" and resid 55 and name HB1 ))
4.424 2.704 1.106 peak 555 weight 1.00000E+00 volume 4.75663E+04 ppm1 7.355 ppm2 1.770
ASSI { 554}
(( segid " A" and resid 55 and name HE21))
(( segid " A" and resid 55 and name HB2 ))
4.551 2.831 1.138 peak 554 weight 1.00000E+00 volume 4.04125E+04 ppm1 7.359 ppm2 2.464
ASSI { 122}
(( segid " A" and resid 55 and name HE22))
(( segid " A" and resid 55 and name HN ))
4.133 2.413 1.033 peak 122 weight 1.00000E+00 volume 7.58127E+04 ppm1 7.532 ppm2 8.489
ASSI { 549}
(( segid " A" and resid 55 and name HE22))
(( segid " A" and resid 55 and name HE21))
3.920 2.200 0.980 peak 549 weight 1.00000E+00 volume 9.05055E+04 ppm1 8.483 ppm2 7.351
ASSI { 80}
(( segid " A" and resid 55 and name HG2 ))
(( segid " A" and resid 55 and name HN ))
3.674 1.954 0.919 peak 80 weight 1.00000E+00 volume 1.51466E+05 ppm1 7.529 ppm2 2.280
ASSI { 88}
(( segid " A" and resid 55 and name HE21))
(( segid " A" and resid 55 and name HN ))
4.027 2.307 1.007 peak 88 weight 1.00000E+00 volume 1.05350E+05 ppm1 7.529 ppm2 7.350
ASSI { 79}
(( segid " A" and resid 55 and name HN ))
(( segid " A" and resid 55 and name HB2 ))
3.731 2.011 0.933 peak 79 weight 1.00000E+00 volume 1.52962E+05 ppm1 7.530 ppm2 2.462
ASSI { 85}
(( segid " A" and resid 55 and name HN ))
( segid " A" and resid 56 and name HB# )
4.610 2.890 1.152 peak 85 weight 1.00000E+00 volume 1.54163E+05 ppm1 7.530 ppm2 1.409
ASSI { 47}
(( segid " A" and resid 56 and name HN ))
(( segid " A" and resid 21 and name HD22))
3.992 2.272 0.998 peak 47 weight 1.00000E+00 volume 1.00128E+05 ppm1 7.118 ppm2 7.331
ASSI { 55}
(( segid " A" and resid 56 and name HN ))
(( segid " A" and resid 21 and name HB2 ))
4.656 2.936 1.164 peak 55 weight 1.00000E+00 volume 3.50979E+04 ppm1 7.125 ppm2 2.851
ASSI { 50}
(( segid " A" and resid 56 and name HN ))
(( segid " A" and resid 21 and name HD21))
4.326 2.606 1.082 peak 50 weight 1.00000E+00 volume 6.96811E+04 ppm1 7.117 ppm2 6.952
ASSI { 120}
(( segid " A" and resid 56 and name HN ))
(( segid " A" and resid 52 and name HA ))
5.104 3.384 1.276 peak 120 weight 1.00000E+00 volume 2.89423E+04 ppm1 7.120 ppm2 3.903
ASSI { 51}
(( segid " A" and resid 56 and name HN ))
(( segid " A" and resid 53 and name HA ))
3.704 1.984 0.926 peak 51 weight 1.00000E+00 volume 1.35509E+05 ppm1 7.120 ppm2 4.435
ASSI { 44}
(( segid " A" and resid 56 and name HN ))
(( segid " A" and resid 53 and name HN ))
4.813 3.093 1.203 peak 44 weight 1.00000E+00 volume 3.68698E+04 ppm1 7.121 ppm2 8.061
ASSI { 662}
(( segid " A" and resid 56 and name HN ))
(( segid " A" and resid 54 and name HA ))
3.977 2.257 0.994 peak 662 weight 1.00000E+00 volume 1.02661E+05 ppm1 7.115 ppm2 4.209
ASSI { 60}
(( segid " A" and resid 56 and name HN ))
( segid " A" and resid 54 and name HB# )
4.935 3.215 1.234 peak 60 weight 1.00000E+00 volume 1.12427E+05 ppm1 7.118 ppm2 1.560
ASSI { 59}
(( segid " A" and resid 56 and name HN ))
(( segid " A" and resid 55 and name HB1 ))
4.447 2.727 1.112 peak 59 weight 1.00000E+00 volume 5.55736E+04 ppm1 7.118 ppm2 1.768
ASSI { 57}
(( segid " A" and resid 56 and name HN ))
(( segid " A" and resid 55 and name HG1 ))
4.187 2.467 1.047 peak 57 weight 1.00000E+00 volume 6.66272E+04 ppm1 7.117 ppm2 2.633
ASSI { 46}
(( segid " A" and resid 56 and name HN ))
(( segid " A" and resid 55 and name HN ))
3.177 1.457 0.794 peak 46 weight 1.00000E+00 volume 4.38498E+05 ppm1 7.118 ppm2 7.526
ASSI { 52}
(( segid " A" and resid 56 and name HN ))
(( segid " A" and resid 55 and name HA ))
3.443 1.723 0.861 peak 52 weight 1.00000E+00 volume 2.27646E+05 ppm1 7.118 ppm2 4.356
ASSI { 58}
(( segid " A" and resid 56 and name HN ))
(( segid " A" and resid 55 and name HG2 ))
4.240 2.520 1.060 peak 58 weight 1.00000E+00 volume 6.36714E+04 ppm1 7.119 ppm2 2.273
ASSI { 124}
(( segid " A" and resid 56 and name HN ))
(( segid " A" and resid 55 and name HB2 ))
4.494 2.774 1.124 peak 124 weight 1.00000E+00 volume 4.74653E+04 ppm1 7.121 ppm2 2.464
ASSI { 61}
(( segid " A" and resid 56 and name HN ))
( segid " A" and resid 56 and name HB# )
3.233 1.513 0.808 peak 61 weight 1.00000E+00 volume 1.24825E+06 ppm1 7.119 ppm2 1.409
ASSI { 55}
(( segid " A" and resid 56 and name HA ))
( segid " A" and resid 56 and name HB# )
3.607 1.887 0.902 peak 55 weight 1.00000E+00 volume 2.21263E+06 ppm1 1.410 ppm2 4.299
ASSI { 53}
(( segid " A" and resid 56 and name HN ))
(( segid " A" and resid 56 and name HA ))
3.315 1.595 0.829 peak 53 weight 1.00000E+00 volume 3.10135E+05 ppm1 7.119 ppm2 4.294
ASSI { 96}
(( segid " A" and resid 56 and name HA ))
(( segid " A" and resid 57 and name HB1 ))
5.030 3.310 1.258 peak 96 weight 1.00000E+00 volume 1.13791E+05 ppm1 4.300 ppm2 1.836
ASSI { 54}
(( segid " A" and resid 56 and name HN ))
(( segid " A" and resid 57 and name HD1 ))
4.130 2.410 1.033 peak 54 weight 1.00000E+00 volume 8.77588E+04 ppm1 7.119 ppm2 3.590
ASSI { 493}
(( segid " A" and resid 56 and name HN ))
(( segid " A" and resid 57 and name HD2 ))
4.136 2.416 1.034 peak 493 weight 1.00000E+00 volume 8.49336E+04 ppm1 7.119 ppm2 3.743
ASSI { 81}
( segid " A" and resid 56 and name HB# )
(( segid " A" and resid 58 and name HE1 ))
5.524 3.804 1.381 peak 81 weight 1.00000E+00 volume 1.76138E+05 ppm1 1.409 ppm2 2.997
ASSI { 142}
( segid " A" and resid 57 and name HG# )
(( segid " A" and resid 21 and name HD21))
4.790 3.070 1.197 peak 142 weight 1.00000E+00 volume 8.49124E+04 ppm1 2.025 ppm2 6.966
ASSI { 83}
(( segid " A" and resid 57 and name HB2 ))
( segid " A" and resid 56 and name HB# )
5.208 3.488 1.302 peak 83 weight 1.00000E+00 volume 2.11779E+05 ppm1 1.410 ppm2 2.263
ASSI { 57}
(( segid " A" and resid 57 and name HD2 ))
( segid " A" and resid 56 and name HB# )
3.608 1.888 0.902 peak 57 weight 1.00000E+00 volume 1.83120E+06 ppm1 1.410 ppm2 3.748
ASSI { 95}
( segid " A" and resid 57 and name HG# )
(( segid " A" and resid 56 and name HA ))
3.627 1.907 0.907 peak 95 weight 1.00000E+00 volume 5.02131E+05 ppm1 4.299 ppm2 2.032
ASSI { 88}
(( segid " A" and resid 57 and name HD1 ))
(( segid " A" and resid 56 and name HA ))
3.357 1.637 0.839 peak 88 weight 1.00000E+00 volume 9.74097E+05 ppm1 4.299 ppm2 3.590
ASSI { 85}
( segid " A" and resid 57 and name HG# )
( segid " A" and resid 56 and name HB# )
4.186 2.466 1.047 peak 85 weight 1.00000E+00 volume 8.49932E+05 ppm1 1.410 ppm2 2.033
ASSI { 87}
(( segid " A" and resid 57 and name HD2 ))
(( segid " A" and resid 56 and name HA ))
3.337 1.617 0.834 peak 87 weight 1.00000E+00 volume 1.01889E+06 ppm1 4.299 ppm2 3.746
ASSI { 58}
(( segid " A" and resid 57 and name HD1 ))
( segid " A" and resid 56 and name HB# )
3.809 2.089 0.952 peak 58 weight 1.00000E+00 volume 1.62339E+06 ppm1 1.410 ppm2 3.589
ASSI { 110}
(( segid " A" and resid 57 and name HD2 ))
(( segid " A" and resid 57 and name HB1 ))
3.622 1.902 0.906 peak 110 weight 1.00000E+00 volume 5.02951E+05 ppm1 1.838 ppm2 3.751
ASSI { 117}
(( segid " A" and resid 57 and name HB1 ))
(( segid " A" and resid 57 and name HA ))
3.197 1.477 0.799 peak 117 weight 1.00000E+00 volume 9.27979E+05 ppm1 1.839 ppm2 4.394
ASSI { 119}
( segid " A" and resid 57 and name HG# )
(( segid " A" and resid 57 and name HB1 ))
2.898 1.178 0.724 peak 119 weight 1.00000E+00 volume 1.79260E+06 ppm1 2.029 ppm2 1.843
ASSI { 100}
( segid " A" and resid 57 and name HG# )
(( segid " A" and resid 57 and name HD2 ))
3.061 1.341 0.765 peak 100 weight 1.00000E+00 volume 1.31272E+06 ppm1 3.745 ppm2 2.031
ASSI { 104}
(( segid " A" and resid 57 and name HB1 ))
(( segid " A" and resid 57 and name HB2 ))
2.636 0.916 0.659 peak 104 weight 1.00000E+00 volume 3.68484E+06 ppm1 2.258 ppm2 1.841
ASSI { 109}
(( segid " A" and resid 57 and name HD1 ))
(( segid " A" and resid 57 and name HB2 ))
3.847 2.127 0.962 peak 109 weight 1.00000E+00 volume 4.00021E+05 ppm1 2.259 ppm2 3.590
ASSI { 102}
( segid " A" and resid 57 and name HG# )
(( segid " A" and resid 57 and name HD1 ))
3.057 1.337 0.764 peak 102 weight 1.00000E+00 volume 1.30689E+06 ppm1 2.031 ppm2 3.590
ASSI { 132}
(( segid " A" and resid 57 and name HD1 ))
(( segid " A" and resid 57 and name HA ))
4.821 3.101 1.205 peak 132 weight 1.00000E+00 volume 1.13876E+05 ppm1 4.387 ppm2 3.594
ASSI { 107}
(( segid " A" and resid 57 and name HG2 ))
(( segid " A" and resid 57 and name HB1 ))
2.878 1.158 0.719 peak 107 weight 1.00000E+00 volume 2.04162E+06 ppm1 1.840 ppm2 2.029
ASSI { 111}
(( segid " A" and resid 57 and name HD1 ))
(( segid " A" and resid 57 and name HB1 ))
3.848 2.128 0.962 peak 111 weight 1.00000E+00 volume 3.81234E+05 ppm1 1.839 ppm2 3.590
ASSI { 113}
( segid " A" and resid 57 and name HG# )
(( segid " A" and resid 57 and name HA ))
3.560 1.840 0.890 peak 113 weight 1.00000E+00 volume 5.10377E+05 ppm1 2.027 ppm2 4.387
ASSI { 98}
(( segid " A" and resid 57 and name HD1 ))
(( segid " A" and resid 57 and name HD2 ))
2.967 1.247 0.742 peak 98 weight 1.00000E+00 volume 1.69278E+06 ppm1 3.592 ppm2 3.744
ASSI { 133}
(( segid " A" and resid 57 and name HD2 ))
(( segid " A" and resid 57 and name HA ))
6.093 4.373 1.523 peak 133 weight 1.00000E+00 volume 1.45263E+05 ppm1 4.388 ppm2 3.749
ASSI { 103}
( segid " A" and resid 57 and name HG# )
(( segid " A" and resid 57 and name HB2 ))
2.817 1.097 0.704 peak 103 weight 1.00000E+00 volume 2.35387E+06 ppm1 2.257 ppm2 2.028
ASSI { 112}
(( segid " A" and resid 57 and name HB2 ))
(( segid " A" and resid 57 and name HA ))
3.070 1.350 0.767 peak 112 weight 1.00000E+00 volume 1.41987E+06 ppm1 2.256 ppm2 4.392
ASSI { 108}
(( segid " A" and resid 57 and name HD2 ))
(( segid " A" and resid 57 and name HB2 ))
3.789 2.069 0.947 peak 108 weight 1.00000E+00 volume 4.01062E+05 ppm1 2.257 ppm2 3.739
ASSI { 143}
(( segid " A" and resid 58 and name HN ))
(( segid " A" and resid 57 and name HA ))
3.196 1.476 0.799 peak 143 weight 1.00000E+00 volume 1.17108E+06 ppm1 4.389 ppm2 8.411
ASSI { 131}
(( segid " A" and resid 58 and name HB2 ))
(( segid " A" and resid 57 and name HA ))
4.090 2.370 1.023 peak 131 weight 1.00000E+00 volume 2.63770E+05 ppm1 4.388 ppm2 1.725
ASSI { 486}
(( segid " A" and resid 58 and name HN ))
(( segid " A" and resid 57 and name HB2 ))
3.490 1.770 0.873 peak 486 weight 1.00000E+00 volume 2.75513E+05 ppm1 8.422 ppm2 2.257
ASSI { 484}
(( segid " A" and resid 58 and name HN ))
(( segid " A" and resid 57 and name HD1 ))
5.111 3.391 1.278 peak 484 weight 1.00000E+00 volume 3.25342E+04 ppm1 8.426 ppm2 3.587
ASSI { 485}
(( segid " A" and resid 58 and name HN ))
(( segid " A" and resid 57 and name HD2 ))
4.442 2.722 1.111 peak 485 weight 1.00000E+00 volume 3.97246E+04 ppm1 8.421 ppm2 3.751
ASSI { 487}
(( segid " A" and resid 58 and name HN ))
( segid " A" and resid 57 and name HG# )
3.960 2.240 0.990 peak 487 weight 1.00000E+00 volume 1.19616E+05 ppm1 8.421 ppm2 2.033
ASSI { 1347}
(( segid " A" and resid 58 and name HA ))
(( segid " A" and resid 58 and name HG2 ))
3.854 2.134 0.964 peak 1347 weight 1.00000E+00 volume 3.82284E+05 ppm1 1.449 ppm2 4.384
ASSI { 1360}
(( segid " A" and resid 58 and name HG2 ))
( segid " A" and resid 58 and name HD# )
2.886 1.166 0.721 peak 1360 weight 1.00000E+00 volume 2.05199E+06 ppm1 1.448 ppm2 1.659
ASSI { 1353}
(( segid " A" and resid 58 and name HA ))
( segid " A" and resid 58 and name HD# )
3.643 1.923 0.911 peak 1353 weight 1.00000E+00 volume 6.16582E+05 ppm1 1.659 ppm2 4.386
ASSI { 1351}
(( segid " A" and resid 58 and name HB1 ))
(( segid " A" and resid 58 and name HG2 ))
3.182 1.462 0.796 peak 1351 weight 1.00000E+00 volume 1.05311E+06 ppm1 1.447 ppm2 1.827
ASSI { 483}
(( segid " A" and resid 58 and name HN ))
(( segid " A" and resid 58 and name HA ))
2.719 0.999 0.680 peak 483 weight 1.00000E+00 volume 1.20064E+06 ppm1 8.421 ppm2 4.388
ASSI { 1364}
(( segid " A" and resid 58 and name HN ))
(( segid " A" and resid 58 and name HB1 ))
3.429 1.709 0.857 peak 1364 weight 1.00000E+00 volume 5.50757E+05 ppm1 1.827 ppm2 8.407
ASSI { 252}
(( segid " A" and resid 58 and name HA ))
(( segid " A" and resid 58 and name HB2 ))
3.502 1.782 0.875 peak 252 weight 1.00000E+00 volume 5.82284E+05 ppm1 4.386 ppm2 1.713
ASSI { 1358}
(( segid " A" and resid 58 and name HB1 ))
( segid " A" and resid 58 and name HE# )
4.039 2.319 1.010 peak 1358 weight 1.00000E+00 volume 2.20820E+05 ppm1 3.001 ppm2 1.833
ASSI { 489}
(( segid " A" and resid 58 and name HN ))
(( segid " A" and resid 58 and name HB2 ))
3.194 1.474 0.798 peak 489 weight 1.00000E+00 volume 4.72510E+05 ppm1 8.421 ppm2 1.724
ASSI { 256}
(( segid " A" and resid 58 and name HB1 ))
( segid " A" and resid 58 and name HG# )
2.975 1.255 0.744 peak 256 weight 1.00000E+00 volume 1.54850E+06 ppm1 1.832 ppm2 1.422
ASSI { 1352}
(( segid " A" and resid 58 and name HB1 ))
(( segid " A" and resid 58 and name HG1 ))
2.955 1.235 0.739 peak 1352 weight 1.00000E+00 volume 1.62929E+06 ppm1 1.406 ppm2 1.830
ASSI { 251}
(( segid " A" and resid 58 and name HA ))
(( segid " A" and resid 58 and name HB1 ))
3.393 1.673 0.848 peak 251 weight 1.00000E+00 volume 6.82869E+05 ppm1 4.386 ppm2 1.831
ASSI { 1349}
( segid " A" and resid 58 and name HG# )
( segid " A" and resid 58 and name HE# )
3.186 1.466 0.797 peak 1349 weight 1.00000E+00 volume 4.93448E+05 ppm1 1.446 ppm2 2.995
ASSI { 1348}
(( segid " A" and resid 58 and name HA ))
(( segid " A" and resid 58 and name HG1 ))
3.806 2.086 0.951 peak 1348 weight 1.00000E+00 volume 3.78467E+05 ppm1 1.404 ppm2 4.384
ASSI { 1346}
(( segid " A" and resid 58 and name HA ))
( segid " A" and resid 58 and name HG# )
4.074 2.354 1.019 peak 1346 weight 1.00000E+00 volume 3.05253E+05 ppm1 4.386 ppm2 1.425
ASSI { 1354}
(( segid " A" and resid 58 and name HA ))
( segid " A" and resid 58 and name HE# )
4.907 3.187 1.227 peak 1354 weight 1.00000E+00 volume 1.31533E+05 ppm1 3.005 ppm2 4.367
ASSI { 257}
(( segid " A" and resid 58 and name HB1 ))
(( segid " A" and resid 58 and name HB2 ))
2.412 0.692 0.603 peak 257 weight 1.00000E+00 volume 4.93188E+06 ppm1 1.728 ppm2 1.827
ASSI { 255}
(( segid " A" and resid 58 and name HB2 ))
( segid " A" and resid 58 and name HG# )
3.051 1.331 0.763 peak 255 weight 1.00000E+00 volume 1.22481E+06 ppm1 1.725 ppm2 1.426
ASSI { 1355}
( segid " A" and resid 58 and name HE# )
( segid " A" and resid 58 and name HD# )
2.712 0.992 0.678 peak 1355 weight 1.00000E+00 volume 3.54666E+06 ppm1 1.651 ppm2 2.994
ASSI { 1359}
(( segid " A" and resid 58 and name HG1 ))
( segid " A" and resid 58 and name HD# )
2.528 0.808 0.632 peak 1359 weight 1.00000E+00 volume 4.10194E+06 ppm1 1.403 ppm2 1.662
ASSI { 488}
(( segid " A" and resid 58 and name HN ))
(( segid " A" and resid 58 and name HB1 ))
3.137 1.417 0.784 peak 488 weight 1.00000E+00 volume 5.37946E+05 ppm1 8.421 ppm2 1.835
OR { 488}
(( segid " A" and resid 58 and name HN ))
(( segid " A" and resid 57 and name HB1 ))
ASSI { 490}
(( segid " A" and resid 58 and name HN ))
( segid " A" and resid 58 and name HG# )
3.468 1.748 0.867 peak 490 weight 1.00000E+00 volume 2.10506E+05 ppm1 8.422 ppm2 1.411
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