NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
13552 |
1v4q   |
cing | 1-original | 1 | XPLOR/CNS | distance | NOE | ambi |
ASSI { 584}
(( segid " " and resid 1 and name HA ))
(( segid " " and resid 16 and name HN ))
4.000 2.000 2.000 peak 584 weight 0.10000E+01 volume 0.10384E-02 ppm1 4.623 ppm2 9.743 CV 1
ASSI { 682}
(( segid " " and resid 1 and name HB2 ))
(( segid " " and resid 16 and name HN ))
4.800 2.900 1.200 peak 682 weight 0.10000E+01 volume 0.68271E-03 ppm1 3.314 ppm2 9.743 CV 1
ASSI { 813}
(( segid " " and resid 1 and name HB1 ))
(( segid " " and resid 16 and name HN ))
2.500 0.800 0.800 peak 813 weight 0.10000E+01 volume 0.41812E-02 ppm1 3.098 ppm2 9.742 CV 1
ASSI { 811}
(( segid " " and resid 15 and name HB1 ))
(( segid " " and resid 16 and name HN ))
3.200 1.300 1.300 peak 811 weight 0.10000E+01 volume 0.20469E-02 ppm1 3.132 ppm2 9.742 CV 1
ASSI { 489}
(( segid " " and resid 3 and name HA1 ))
(( segid " " and resid 16 and name HN ))
4.800 2.900 1.200 peak 489 weight 0.10000E+01 volume 0.38068E-03 ppm1 4.122 ppm2 9.742 CV 1
ASSI { 306}
(( segid " " and resid 3 and name HA2 ))
(( segid " " and resid 16 and name HN ))
4.100 2.100 1.900 peak 306 weight 0.10000E+01 volume 0.23215E-03 ppm1 3.807 ppm2 9.741 CV 1
ASSI { 101}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 16 and name HN ))
5.000 3.100 1.000 peak 101 weight 0.10000E+01 volume 0.17349E-03 ppm1 8.145 ppm2 9.739 CV 1
ASSI { 334}
(( segid " " and resid 15 and name HB1 ))
(( segid " " and resid 2 and name HN ))
5.300 3.500 0.700 peak 334 weight 0.10000E+01 volume 0.20469E-03 ppm1 3.132 ppm2 9.252 CV 1
ASSI { 270}
(( segid " " and resid 1 and name HA ))
(( segid " " and resid 2 and name HN ))
2.000 0.500 0.500 peak 270 weight 0.10000E+01 volume 0.15477E-01 ppm1 4.622 ppm2 9.252 CV 1
ASSI { 670}
(( segid " " and resid 2 and name HA ))
(( segid " " and resid 2 and name HN ))
2.900 1.000 1.000 peak 670 weight 0.10000E+01 volume 0.22092E-02 ppm1 4.528 ppm2 9.251 CV 1
ASSI { 512}
(( segid " " and resid 14 and name HB1 ))
(( segid " " and resid 2 and name HN ))
4.300 2.300 1.700 peak 512 weight 0.10000E+01 volume 0.25212E-03 ppm1 2.784 ppm2 9.251 CV 1
ASSI { 72}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 2 and name HN ))
4.500 2.500 1.500 peak 72 weight 0.10000E+01 volume 0.23590E-03 ppm1 8.421 ppm2 9.251 CV 1
ASSI { 358}
(( segid " " and resid 14 and name HB2 ))
(( segid " " and resid 2 and name HN ))
5.500 3.800 0.500 peak 358 weight 0.10000E+01 volume 0.27209E-03 ppm1 2.609 ppm2 9.251 CV 1
ASSI { 4}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 2 and name HN ))
2.500 0.800 0.800 peak 4 weight 0.10000E+01 volume 0.47305E-02 ppm1 9.738 ppm2 9.251 CV 1
ASSI { 723}
(( segid " " and resid 15 and name HA ))
(( segid " " and resid 2 and name HN ))
2.600 0.900 0.900 peak 723 weight 0.10000E+01 volume 0.34074E-02 ppm1 4.926 ppm2 9.251 CV 1
ASSI { 905}
(( segid " " and resid 2 and name HE2 ))
(( segid " " and resid 2 and name HN ))
3.100 1.200 1.200 peak 905 weight 0.10000E+01 volume 0.49926E-02 ppm1 3.062 ppm2 9.251 CV 1
OR { 905}
(( segid " " and resid 2 and name HE1 ))
(( segid " " and resid 2 and name HN ))
ASSI { 903}
(( segid " " and resid 1 and name HB1 ))
(( segid " " and resid 2 and name HN ))
2.300 0.600 0.600 peak 903 weight 0.10000E+01 volume 0.58410E-02 ppm1 3.094 ppm2 9.251 CV 1
ASSI { 802}
(( segid " " and resid 1 and name HB2 ))
(( segid " " and resid 2 and name HN ))
3.700 1.700 1.700 peak 802 weight 0.10000E+01 volume 0.26585E-02 ppm1 3.283 ppm2 9.251 CV 1
ASSI { 665}
(( segid " " and resid 26 and name HA ))
(( segid " " and resid 26 and name HN ))
2.700 0.900 0.900 peak 665 weight 0.10000E+01 volume 0.34323E-02 ppm1 4.611 ppm2 8.932 CV 1
ASSI { 130}
(( segid " " and resid 26 and name H2 ))
(( segid " " and resid 5 and name HN ))
3.500 1.500 1.500 peak 130 weight 0.10000E+01 volume 0.69020E-03 ppm1 7.449 ppm2 8.917 CV 1
ASSI { 113}
(( segid " " and resid 6 and name HN ))
(( segid " " and resid 5 and name HN ))
2.300 0.700 0.700 peak 113 weight 0.10000E+01 volume 0.76135E-02 ppm1 7.840 ppm2 8.915 CV 1
ASSI { 894}
(( segid " " and resid 5 and name HA1 ))
(( segid " " and resid 5 and name HN ))
3.000 1.100 1.100 peak 894 weight 0.10000E+01 volume 0.33450E-02 ppm1 4.320 ppm2 8.910 CV 1
ASSI { 741}
(( segid " " and resid 4 and name HA ))
(( segid " " and resid 5 and name HN ))
1.900 0.500 0.500 peak 741 weight 0.10000E+01 volume 0.17723E-01 ppm1 3.688 ppm2 8.910 CV 1
ASSI { 1000}
(( segid " " and resid 5 and name HA2 ))
(( segid " " and resid 5 and name HN ))
2.200 0.600 0.600 peak 1000 weight 0.10000E+01 volume 0.81503E-02 ppm1 3.609 ppm2 8.910 CV 1
ASSI { 391}
(( segid " " and resid 4 and name HB2 ))
(( segid " " and resid 5 and name HN ))
5.300 3.600 0.700 peak 391 weight 0.10000E+01 volume 0.23090E-03 ppm1 1.696 ppm2 8.908 CV 1
ASSI { 1029}
(( segid " " and resid 3 and name HA2 ))
(( segid " " and resid 3 and name HN ))
2.400 0.700 0.700 peak 1029 weight 0.10000E+01 volume 0.84124E-02 ppm1 3.805 ppm2 8.865 CV 1
ASSI { 989}
(( segid " " and resid 2 and name HA ))
(( segid " " and resid 3 and name HN ))
2.200 0.600 0.600 peak 989 weight 0.10000E+01 volume 0.13854E-01 ppm1 4.529 ppm2 8.865 CV 1
ASSI { 897}
(( segid " " and resid 3 and name HA1 ))
(( segid " " and resid 3 and name HN ))
2.500 0.800 0.800 peak 897 weight 0.10000E+01 volume 0.39316E-02 ppm1 4.090 ppm2 8.865 CV 1
ASSI { 17}
(( segid " " and resid 2 and name HN ))
(( segid " " and resid 3 and name HN ))
4.400 2.400 1.600 peak 17 weight 0.10000E+01 volume 0.62529E-03 ppm1 9.241 ppm2 8.864 CV 1
ASSI { 394}
(( segid " " and resid 2 and name HD2 ))
(( segid " " and resid 3 and name HN ))
5.200 3.300 0.800 peak 394 weight 0.10000E+01 volume 0.31203E-03 ppm1 1.555 ppm2 8.864 CV 1
OR { 394}
(( segid " " and resid 2 and name HD1 ))
(( segid " " and resid 3 and name HN ))
ASSI { 536}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 3 and name HN ))
4.100 2.100 1.900 peak 536 weight 0.10000E+01 volume 0.54170E-03 ppm1 9.739 ppm2 8.861 CV 1
ASSI { 672}
(( segid " " and resid 9 and name HA ))
(( segid " " and resid 9 and name HN ))
2.700 0.900 0.900 peak 672 weight 0.10000E+01 volume 0.25087E-02 ppm1 4.454 ppm2 8.813 CV 1
ASSI { 555}
(( segid " " and resid 8 and name HA ))
(( segid " " and resid 9 and name HN ))
2.200 0.600 0.600 peak 555 weight 0.10000E+01 volume 0.94480E-02 ppm1 4.966 ppm2 8.812 CV 1
ASSI { 956}
(( segid " " and resid 8 and name HB2 ))
(( segid " " and resid 9 and name HN ))
2.200 0.600 0.600 peak 956 weight 0.10000E+01 volume 0.46055E-02 ppm1 3.433 ppm2 8.812 CV 1
ASSI { 619}
(( segid " " and resid 14 and name HB2 ))
(( segid " " and resid 9 and name HN ))
3.900 1.900 1.900 peak 619 weight 0.10000E+01 volume 0.60907E-03 ppm1 2.610 ppm2 8.811 CV 1
ASSI { 757}
(( segid " " and resid 8 and name HB1 ))
(( segid " " and resid 9 and name HN ))
3.900 1.900 1.900 peak 757 weight 0.10000E+01 volume 0.20469E-02 ppm1 2.911 ppm2 8.811 CV 1
ASSI { 1009}
(( segid " " and resid 20 and name HB1 ))
(( segid " " and resid 20 and name HN ))
2.400 0.700 0.700 peak 1009 weight 0.10000E+01 volume 0.54915E-02 ppm1 2.792 ppm2 8.779 CV 1
ASSI { 271}
(( segid " " and resid 26 and name HA ))
(( segid " " and resid 20 and name HN ))
3.400 1.400 1.400 peak 271 weight 0.10000E+01 volume 0.20344E-02 ppm1 4.609 ppm2 8.779 CV 1
ASSI { 355}
(( segid " " and resid 15 and name HB2 ))
(( segid " " and resid 20 and name HN ))
4.600 2.600 1.400 peak 355 weight 0.10000E+01 volume 0.18472E-03 ppm1 2.698 ppm2 8.778 CV 1
ASSI { 888}
(( segid " " and resid 19 and name HA ))
(( segid " " and resid 20 and name HN ))
2.200 0.600 0.600 peak 888 weight 0.10000E+01 volume 0.85248E-02 ppm1 4.539 ppm2 8.777 CV 1
ASSI { 895}
(( segid " " and resid 21 and name HA2 ))
(( segid " " and resid 22 and name HN ))
2.500 0.800 0.800 peak 895 weight 0.10000E+01 volume 0.56163E-02 ppm1 4.127 ppm2 8.689 CV 1
ASSI { 41}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 10 and name HN ))
4.400 2.400 1.600 peak 41 weight 0.10000E+01 volume 0.46930E-03 ppm1 8.810 ppm2 8.687 CV 1
ASSI { 27}
(( segid " " and resid 26 and name HN ))
(( segid " " and resid 26 and name H1 ))
3.900 1.900 1.900 peak 27 weight 0.10000E+01 volume 0.10796E-02 ppm1 8.927 ppm2 8.544 CV 1
ASSI { 583}
(( segid " " and resid 26 and name HA ))
(( segid " " and resid 26 and name H1 ))
2.200 0.600 0.600 peak 583 weight 0.10000E+01 volume 0.10047E-01 ppm1 4.623 ppm2 8.543 CV 1
ASSI { 105}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 26 and name H1 ))
4.200 2.200 1.800 peak 105 weight 0.10000E+01 volume 0.59159E-03 ppm1 7.931 ppm2 8.543 CV 1
ASSI { 718}
(( segid " " and resid 26 and name H2 ))
(( segid " " and resid 26 and name H1 ))
1.500 0.300 0.700 peak 718 weight 0.10000E+01 volume 0.62904E-01 ppm1 7.448 ppm2 8.542 CV 1
ASSI { 808}
(( segid " " and resid 26 and name HB1 ))
(( segid " " and resid 26 and name H1 ))
2.700 0.900 0.900 peak 808 weight 0.10000E+01 volume 0.42311E-02 ppm1 3.167 ppm2 8.542 CV 1
OR { 808}
(( segid " " and resid 26 and name HB2 ))
(( segid " " and resid 26 and name H1 ))
ASSI { 311}
(( segid " " and resid 4 and name HA ))
(( segid " " and resid 26 and name H1 ))
4.300 2.300 1.700 peak 311 weight 0.10000E+01 volume 0.36445E-03 ppm1 3.688 ppm2 8.542 CV 1
ASSI { 990}
(( segid " " and resid 17 and name HA ))
(( segid " " and resid 18 and name HN ))
2.300 0.600 0.600 peak 990 weight 0.10000E+01 volume 0.99848E-02 ppm1 4.518 ppm2 8.475 CV 1
ASSI { 419}
(( segid " " and resid 3 and name HN ))
(( segid " " and resid 8 and name HN ))
4.800 2.900 1.200 peak 419 weight 0.10000E+01 volume 0.23340E-03 ppm1 8.861 ppm2 8.471 CV 1
ASSI { 623}
(( segid " " and resid 7 and name HB1 ))
(( segid " " and resid 8 and name HN ))
4.100 2.100 1.900 peak 623 weight 0.10000E+01 volume 0.12481E-02 ppm1 2.374 ppm2 8.444 CV 1
ASSI { 841}
(( segid " " and resid 25 and name HA ))
(( segid " " and resid 8 and name HN ))
2.500 0.800 0.800 peak 841 weight 0.10000E+01 volume 0.35197E-02 ppm1 5.291 ppm2 8.444 CV 1
ASSI { 771}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 8 and name HN ))
3.700 1.700 1.700 peak 771 weight 0.10000E+01 volume 0.12855E-02 ppm1 8.810 ppm2 8.443 CV 1
ASSI { 316}
(( segid " " and resid 8 and name HB2 ))
(( segid " " and resid 8 and name HN ))
3.600 1.600 1.600 peak 316 weight 0.10000E+01 volume 0.10259E-02 ppm1 3.433 ppm2 8.441 CV 1
ASSI { 28}
(( segid " " and resid 26 and name HN ))
(( segid " " and resid 8 and name HN ))
3.500 1.500 1.500 peak 28 weight 0.10000E+01 volume 0.10958E-02 ppm1 8.929 ppm2 8.441 CV 1
ASSI { 729}
(( segid " " and resid 14 and name HA ))
(( segid " " and resid 15 and name HN ))
3.000 1.200 1.200 peak 729 weight 0.10000E+01 volume 0.23340E-02 ppm1 4.683 ppm2 8.429 CV 1
ASSI { 88}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 15 and name HN ))
2.500 0.800 0.800 peak 88 weight 0.10000E+01 volume 0.41812E-02 ppm1 8.198 ppm2 8.426 CV 1
ASSI { 695}
(( segid " " and resid 14 and name HB2 ))
(( segid " " and resid 15 and name HN ))
3.700 1.700 1.700 peak 695 weight 0.10000E+01 volume 0.11246E-02 ppm1 2.610 ppm2 8.426 CV 1
ASSI { 1}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 17 and name HN ))
2.400 0.700 0.700 peak 1 weight 0.10000E+01 volume 0.68521E-02 ppm1 9.739 ppm2 8.415 CV 1
ASSI { 749}
(( segid " " and resid 16 and name HB2 ))
(( segid " " and resid 17 and name HN ))
3.300 1.400 1.400 peak 749 weight 0.10000E+01 volume 0.22092E-02 ppm1 3.220 ppm2 8.414 CV 1
ASSI { 892}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 17 and name HN ))
2.800 1.000 1.000 peak 892 weight 0.10000E+01 volume 0.39316E-02 ppm1 4.446 ppm2 8.403 CV 1
ASSI { 284}
(( segid " " and resid 21 and name HA1 ))
(( segid " " and resid 23 and name HN ))
4.500 2.500 1.500 peak 284 weight 0.10000E+01 volume 0.16351E-03 ppm1 4.343 ppm2 8.398 CV 1
ASSI { 289}
(( segid " " and resid 21 and name HA2 ))
(( segid " " and resid 23 and name HN ))
4.700 2.800 1.300 peak 289 weight 0.10000E+01 volume 0.44183E-03 ppm1 4.127 ppm2 8.398 CV 1
ASSI { 51}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 23 and name HN ))
2.700 0.900 0.900 peak 51 weight 0.10000E+01 volume 0.32451E-02 ppm1 8.684 ppm2 8.395 CV 1
ASSI { 365}
(( segid " " and resid 12 and name HG2 ))
(( segid " " and resid 13 and name HN ))
4.500 2.500 1.500 peak 365 weight 0.10000E+01 volume 0.19970E-03 ppm1 2.320 ppm2 8.260 CV 1
ASSI { 1049}
(( segid " " and resid 24 and name HA2 ))
(( segid " " and resid 24 and name HN ))
2.200 0.600 0.600 peak 1049 weight 0.10000E+01 volume 0.80754E-02 ppm1 3.753 ppm2 8.259 CV 1
ASSI { 366}
(( segid " " and resid 12 and name HG1 ))
(( segid " " and resid 13 and name HN ))
5.600 3.900 0.400 peak 366 weight 0.10000E+01 volume 0.18472E-03 ppm1 2.282 ppm2 8.258 CV 1
ASSI { 908}
(( segid " " and resid 13 and name HB2 ))
(( segid " " and resid 13 and name HN ))
2.700 0.900 0.900 peak 908 weight 0.10000E+01 volume 0.25961E-02 ppm1 2.894 ppm2 8.258 CV 1
ASSI { 52}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 24 and name HN ))
4.100 2.100 1.900 peak 52 weight 0.10000E+01 volume 0.62404E-03 ppm1 8.684 ppm2 8.257 CV 1
ASSI { 804}
(( segid " " and resid 13 and name HB1 ))
(( segid " " and resid 13 and name HN ))
3.300 1.300 1.300 peak 804 weight 0.10000E+01 volume 0.13854E-02 ppm1 3.283 ppm2 8.257 CV 1
ASSI { 981}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 24 and name HN ))
2.500 0.800 0.800 peak 981 weight 0.10000E+01 volume 0.44807E-02 ppm1 8.385 ppm2 8.256 CV 1
ASSI { 174}
(( segid " " and resid 25 and name HA ))
(( segid " " and resid 24 and name HN ))
5.100 3.300 0.900 peak 174 weight 0.10000E+01 volume 0.23215E-03 ppm1 5.290 ppm2 8.256 CV 1
ASSI { 282}
(( segid " " and resid 11 and name HB ))
(( segid " " and resid 13 and name HN ))
5.900 4.300 0.100 peak 282 weight 0.10000E+01 volume 0.19096E-03 ppm1 4.374 ppm2 8.255 CV 1
ASSI { 290}
(( segid " " and resid 21 and name HA2 ))
(( segid " " and resid 24 and name HN ))
4.800 2.900 1.200 peak 290 weight 0.10000E+01 volume 0.36320E-03 ppm1 4.124 ppm2 8.238 CV 1
ASSI { 886}
(( segid " " and resid 14 and name HA ))
(( segid " " and resid 14 and name HN ))
2.700 0.900 0.900 peak 886 weight 0.10000E+01 volume 0.44183E-02 ppm1 4.689 ppm2 8.204 CV 1
ASSI { 320}
(( segid " " and resid 8 and name HB2 ))
(( segid " " and resid 14 and name HN ))
4.100 2.100 1.900 peak 320 weight 0.10000E+01 volume 0.34822E-03 ppm1 3.404 ppm2 8.204 CV 1
ASSI { 818}
(( segid " " and resid 14 and name HB2 ))
(( segid " " and resid 14 and name HN ))
2.600 0.800 0.800 peak 818 weight 0.10000E+01 volume 0.23590E-02 ppm1 2.610 ppm2 8.203 CV 1
ASSI { 356}
(( segid " " and resid 15 and name HB2 ))
(( segid " " and resid 14 and name HN ))
5.200 3.400 0.800 peak 356 weight 0.10000E+01 volume 0.24088E-03 ppm1 2.699 ppm2 8.200 CV 1
ASSI { 952}
(( segid " " and resid 3 and name HA2 ))
(( segid " " and resid 4 and name HN ))
2.300 0.600 0.600 peak 952 weight 0.10000E+01 volume 0.76135E-02 ppm1 3.806 ppm2 8.152 CV 1
ASSI { 707}
(( segid " " and resid 3 and name HN ))
(( segid " " and resid 4 and name HN ))
3.900 1.900 1.900 peak 707 weight 0.10000E+01 volume 0.11670E-02 ppm1 8.861 ppm2 8.152 CV 1
ASSI { 705}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 4 and name HN ))
4.200 2.200 1.800 peak 705 weight 0.10000E+01 volume 0.87120E-03 ppm1 8.905 ppm2 8.151 CV 1
ASSI { 428}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 21 and name HN ))
4.500 2.500 1.500 peak 428 weight 0.10000E+01 volume 0.44183E-03 ppm1 8.400 ppm2 7.935 CV 1
ASSI { 790}
(( segid " " and resid 20 and name HA ))
(( segid " " and resid 21 and name HN ))
2.100 0.600 0.600 peak 790 weight 0.10000E+01 volume 0.12855E-01 ppm1 4.624 ppm2 7.935 CV 1
ASSI { 795}
(( segid " " and resid 21 and name HA1 ))
(( segid " " and resid 21 and name HN ))
2.600 0.800 0.800 peak 795 weight 0.10000E+01 volume 0.34822E-02 ppm1 4.312 ppm2 7.935 CV 1
ASSI { 422}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 21 and name HN ))
4.200 2.200 1.800 peak 422 weight 0.10000E+01 volume 0.81129E-03 ppm1 8.770 ppm2 7.934 CV 1
ASSI { 687}
(( segid " " and resid 20 and name HB2 ))
(( segid " " and resid 21 and name HN ))
3.400 1.400 1.400 peak 687 weight 0.10000E+01 volume 0.91984E-03 ppm1 3.055 ppm2 7.933 CV 1
ASSI { 80}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 21 and name HN ))
4.000 2.000 2.000 peak 80 weight 0.10000E+01 volume 0.64901E-03 ppm1 8.255 ppm2 7.931 CV 1
ASSI { 691}
(( segid " " and resid 20 and name HB1 ))
(( segid " " and resid 21 and name HN ))
3.900 1.900 1.900 peak 691 weight 0.10000E+01 volume 0.98974E-03 ppm1 2.792 ppm2 7.930 CV 1
ASSI { 35}
(( segid " " and resid 26 and name HN ))
(( segid " " and resid 21 and name HN ))
4.300 2.300 1.700 peak 35 weight 0.10000E+01 volume 0.27833E-03 ppm1 8.927 ppm2 7.929 CV 1
ASSI { 677}
(( segid " " and resid 10 and name HA ))
(( segid " " and resid 11 and name HN ))
2.600 0.800 0.800 peak 677 weight 0.10000E+01 volume 0.43684E-02 ppm1 3.969 ppm2 7.919 CV 1
ASSI { 425}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 11 and name HN ))
3.000 1.100 1.100 peak 425 weight 0.10000E+01 volume 0.20344E-02 ppm1 8.709 ppm2 7.919 CV 1
ASSI { 420}
(( segid " " and resid 3 and name HN ))
(( segid " " and resid 6 and name HN ))
4.400 2.400 1.600 peak 420 weight 0.10000E+01 volume 0.28207E-03 ppm1 8.858 ppm2 7.845 CV 1
ASSI { 496}
(( segid " " and resid 4 and name HA ))
(( segid " " and resid 6 and name HN ))
3.400 1.400 1.400 peak 496 weight 0.10000E+01 volume 0.13604E-02 ppm1 3.687 ppm2 7.845 CV 1
ASSI { 446}
(( segid " " and resid 25 and name HA ))
(( segid " " and resid 6 and name HN ))
4.700 2.700 1.300 peak 446 weight 0.10000E+01 volume 0.21842E-03 ppm1 5.290 ppm2 7.844 CV 1
ASSI { 308}
(( segid " " and resid 3 and name HA2 ))
(( segid " " and resid 6 and name HN ))
5.200 3.400 0.800 peak 308 weight 0.10000E+01 volume 0.15851E-03 ppm1 3.807 ppm2 7.843 CV 1
ASSI { 96}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 6 and name HN ))
4.100 2.100 1.900 peak 96 weight 0.10000E+01 volume 0.37943E-03 ppm1 8.147 ppm2 7.840 CV 1
ASSI { 382}
( segid " " and resid 12 and name HE% )
(( segid " " and resid 12 and name HN ))
5.400 3.700 0.600 peak 382 weight 0.10000E+01 volume 0.19096E-03 ppm1 2.038 ppm2 7.776 CV 1
ASSI { 732}
(( segid " " and resid 11 and name HB ))
(( segid " " and resid 12 and name HN ))
3.000 1.100 1.100 peak 732 weight 0.10000E+01 volume 0.12980E-02 ppm1 4.372 ppm2 7.773 CV 1
ASSI { 821}
(( segid " " and resid 12 and name HG2 ))
(( segid " " and resid 12 and name HN ))
3.600 1.600 1.600 peak 821 weight 0.10000E+01 volume 0.83375E-03 ppm1 2.325 ppm2 7.772 CV 1
ASSI { 300}
(( segid " " and resid 10 and name HA ))
(( segid " " and resid 12 and name HN ))
4.300 2.300 1.700 peak 300 weight 0.10000E+01 volume 0.50301E-03 ppm1 3.970 ppm2 7.772 CV 1
ASSI { 730}
(( segid " " and resid 12 and name HA ))
(( segid " " and resid 12 and name HN ))
2.800 1.000 1.000 peak 730 weight 0.10000E+01 volume 0.28207E-02 ppm1 4.465 ppm2 7.772 CV 1
ASSI { 288}
(( segid " " and resid 11 and name HA ))
(( segid " " and resid 12 and name HN ))
2.900 1.000 1.000 peak 288 weight 0.10000E+01 volume 0.38442E-02 ppm1 4.123 ppm2 7.772 CV 1
ASSI { 431}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 12 and name HN ))
3.400 1.400 1.400 peak 431 weight 0.10000E+01 volume 0.20594E-02 ppm1 8.252 ppm2 7.772 CV 1
ASSI { 822}
(( segid " " and resid 12 and name HG1 ))
(( segid " " and resid 12 and name HN ))
3.100 1.200 1.200 peak 822 weight 0.10000E+01 volume 0.10484E-02 ppm1 2.285 ppm2 7.772 CV 1
ASSI { 779}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 12 and name HN ))
2.900 1.000 1.000 peak 779 weight 0.10000E+01 volume 0.20219E-02 ppm1 7.912 ppm2 7.771 CV 1
ASSI { 47}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 12 and name HN ))
5.000 3.100 1.000 peak 47 weight 0.10000E+01 volume 0.29830E-03 ppm1 8.708 ppm2 7.770 CV 1
ASSI { 89}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 12 and name HN ))
4.000 2.000 2.000 peak 89 weight 0.10000E+01 volume 0.30205E-03 ppm1 8.199 ppm2 7.770 CV 1
ASSI { 43}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 12 and name HN ))
5.100 3.300 0.900 peak 43 weight 0.10000E+01 volume 0.16101E-03 ppm1 8.810 ppm2 7.767 CV 1
ASSI { 42}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 9 and name HE ))
4.800 2.800 1.200 peak 42 weight 0.10000E+01 volume 0.42311E-03 ppm1 8.809 ppm2 7.520 CV 1
ASSI { 429}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 26 and name H2 ))
4.800 2.900 1.200 peak 429 weight 0.10000E+01 volume 0.32076E-03 ppm1 8.412 ppm2 7.456 CV 1
ASSI { 107}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 26 and name H2 ))
4.900 3.000 1.100 peak 107 weight 0.10000E+01 volume 0.33325E-03 ppm1 7.931 ppm2 7.453 CV 1
ASSI { 123}
(( segid " " and resid 12 and name HN ))
( segid " " and resid 13 and name HD% )
5.000 3.100 1.000 peak 123 weight 0.10000E+01 volume 0.21093E-03 ppm1 7.770 ppm2 7.125 CV 1
ASSI { 789}
(( segid " " and resid 13 and name HA ))
( segid " " and resid 13 and name HD% )
3.100 1.200 1.200 peak 789 weight 0.10000E+01 volume 0.26835E-02 ppm1 4.702 ppm2 7.125 CV 1
ASSI { 90}
(( segid " " and resid 14 and name HN ))
( segid " " and resid 13 and name HD% )
4.800 2.900 1.200 peak 90 weight 0.10000E+01 volume 0.30329E-03 ppm1 8.196 ppm2 7.124 CV 1
ASSI { 648}
( segid " " and resid 13 and name HE% )
( segid " " and resid 13 and name HD% )
1.900 0.500 0.500 peak 648 weight 0.10000E+01 volume 0.33200E-01 ppm1 6.832 ppm2 7.123 CV 1
ASSI { 56}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 25 and name HN ))
5.200 3.400 0.800 peak 56 weight 0.10000E+01 volume 0.21343E-03 ppm1 8.684 ppm2 7.111 CV 1
ASSI { 777}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 25 and name HN ))
3.800 1.800 1.800 peak 777 weight 0.10000E+01 volume 0.88993E-03 ppm1 8.397 ppm2 7.109 CV 1
ASSI { 103}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 25 and name HN ))
3.000 1.100 1.100 peak 103 weight 0.10000E+01 volume 0.15726E-02 ppm1 7.931 ppm2 7.109 CV 1
ASSI { 899}
(( segid " " and resid 24 and name HA2 ))
(( segid " " and resid 25 and name HN ))
2.900 1.100 1.100 peak 899 weight 0.10000E+01 volume 0.23465E-02 ppm1 3.753 ppm2 7.108 CV 1
ASSI { 738}
(( segid " " and resid 24 and name HA1 ))
(( segid " " and resid 25 and name HN ))
3.500 1.500 1.500 peak 738 weight 0.10000E+01 volume 0.16600E-02 ppm1 4.010 ppm2 7.108 CV 1
ASSI { 29}
(( segid " " and resid 26 and name HN ))
(( segid " " and resid 25 and name HN ))
3.900 1.900 1.900 peak 29 weight 0.10000E+01 volume 0.88868E-03 ppm1 8.928 ppm2 7.108 CV 1
ASSI { 784}
(( segid " " and resid 25 and name HA ))
(( segid " " and resid 25 and name HN ))
2.600 0.900 0.900 peak 784 weight 0.10000E+01 volume 0.29206E-02 ppm1 5.290 ppm2 7.107 CV 1
ASSI { 291}
(( segid " " and resid 11 and name HA ))
(( segid " " and resid 9 and name HH11))
4.900 3.000 1.100 peak 291 weight 0.10000E+01 volume 0.31328E-03 ppm1 4.122 ppm2 6.832 CV 1
OR { 291}
(( segid " " and resid 11 and name HA ))
(( segid " " and resid 9 and name HH12))
OR { 291}
(( segid " " and resid 11 and name HA ))
(( segid " " and resid 9 and name HH22))
ASSI { 84}
(( segid " " and resid 13 and name HN ))
( segid " " and resid 13 and name HE% )
4.700 2.800 1.300 peak 84 weight 0.10000E+01 volume 0.20594E-03 ppm1 8.260 ppm2 6.829 CV 1
ASSI { 378}
( segid " " and resid 12 and name HE% )
(( segid " " and resid 9 and name HH21))
3.100 1.200 1.200 peak 378 weight 0.10000E+01 volume 0.18222E-02 ppm1 2.045 ppm2 6.812 CV 1
OR { 378}
( segid " " and resid 12 and name HE% )
(( segid " " and resid 9 and name HH22))
ASSI { 363}
(( segid " " and resid 12 and name HG2 ))
(( segid " " and resid 9 and name HH21))
4.500 2.600 1.500 peak 363 weight 0.10000E+01 volume 0.24713E-03 ppm1 2.324 ppm2 6.811 CV 1
OR { 363}
(( segid " " and resid 12 and name HG2 ))
(( segid " " and resid 9 and name HH22))
ASSI { 750}
(( segid " " and resid 9 and name HD2 ))
(( segid " " and resid 9 and name HH11))
3.100 1.200 1.200 peak 750 weight 0.10000E+01 volume 0.15227E-02 ppm1 3.166 ppm2 6.810 CV 1
OR { 750}
(( segid " " and resid 9 and name HD2 ))
(( segid " " and resid 9 and name HH12))
ASSI { 748}
(( segid " " and resid 9 and name HD1 ))
(( segid " " and resid 9 and name HH11))
3.300 1.300 1.300 peak 748 weight 0.10000E+01 volume 0.13105E-02 ppm1 3.216 ppm2 6.810 CV 1
OR { 748}
(( segid " " and resid 9 and name HD1 ))
(( segid " " and resid 9 and name HH12))
ASSI { 547}
(( segid " " and resid 9 and name HE ))
(( segid " " and resid 9 and name HH21))
2.800 1.000 1.000 peak 547 weight 0.10000E+01 volume 0.30579E-02 ppm1 7.516 ppm2 6.809 CV 1
OR { 547}
(( segid " " and resid 9 and name HE ))
(( segid " " and resid 9 and name HH22))
ASSI { 586}
(( segid " " and resid 26 and name HA ))
(( segid " " and resid 25 and name HA ))
4.400 2.400 1.600 peak 586 weight 0.10000E+01 volume 0.49053E-03 ppm1 4.607 ppm2 5.298 CV 1
ASSI { 314}
(( segid " " and resid 5 and name HA2 ))
(( segid " " and resid 25 and name HA ))
4.900 3.000 1.100 peak 314 weight 0.10000E+01 volume 0.18971E-03 ppm1 3.610 ppm2 5.297 CV 1
ASSI { 182}
(( segid " " and resid 7 and name HA ))
(( segid " " and resid 25 and name HA ))
2.500 0.800 0.800 peak 182 weight 0.10000E+01 volume 0.44932E-02 ppm1 4.933 ppm2 5.296 CV 1
ASSI { 296}
(( segid " " and resid 24 and name HA1 ))
(( segid " " and resid 25 and name HA ))
4.600 2.600 1.400 peak 296 weight 0.10000E+01 volume 0.20719E-03 ppm1 4.011 ppm2 5.296 CV 1
ASSI { 753}
(( segid " " and resid 26 and name HB2 ))
(( segid " " and resid 25 and name HA ))
4.700 2.700 1.300 peak 753 weight 0.10000E+01 volume 0.71642E-03 ppm1 3.166 ppm2 5.296 CV 1
OR { 753}
(( segid " " and resid 26 and name HB1 ))
(( segid " " and resid 25 and name HA ))
ASSI { 26}
(( segid " " and resid 26 and name HN ))
(( segid " " and resid 25 and name HA ))
1.900 0.400 0.400 peak 26 weight 0.10000E+01 volume 0.18971E-01 ppm1 8.928 ppm2 5.295 CV 1
ASSI { 142}
(( segid " " and resid 25 and name HE ))
(( segid " " and resid 25 and name HA ))
5.500 3.800 0.500 peak 142 weight 0.10000E+01 volume 0.18847E-03 ppm1 7.224 ppm2 5.295 CV 1
ASSI { 1003}
(( segid " " and resid 8 and name HB2 ))
(( segid " " and resid 8 and name HA ))
2.400 0.700 0.700 peak 1003 weight 0.10000E+01 volume 0.67273E-02 ppm1 3.404 ppm2 4.972 CV 1
ASSI { 537}
(( segid " " and resid 26 and name HN ))
(( segid " " and resid 7 and name HA ))
3.900 1.900 1.900 peak 537 weight 0.10000E+01 volume 0.11283E-02 ppm1 8.928 ppm2 4.938 CV 1
ASSI { 159}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 7 and name HA ))
4.600 2.700 1.400 peak 159 weight 0.10000E+01 volume 0.28582E-03 ppm1 7.096 ppm2 4.936 CV 1
ASSI { 440}
(( segid " " and resid 25 and name HE ))
(( segid " " and resid 7 and name HA ))
5.400 3.600 0.600 peak 440 weight 0.10000E+01 volume 0.23590E-03 ppm1 7.224 ppm2 4.933 CV 1
ASSI { 1006}
(( segid " " and resid 25 and name HD1 ))
(( segid " " and resid 7 and name HA ))
2.200 0.600 0.600 peak 1006 weight 0.10000E+01 volume 0.49552E-02 ppm1 3.103 ppm2 4.932 CV 1
ASSI { 535}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 15 and name HA ))
2.000 0.500 0.500 peak 535 weight 0.10000E+01 volume 0.12606E-01 ppm1 9.738 ppm2 4.931 CV 1
ASSI { 918}
(( segid " " and resid 15 and name HB2 ))
(( segid " " and resid 15 and name HA ))
2.800 1.000 1.000 peak 918 weight 0.10000E+01 volume 0.25711E-02 ppm1 2.698 ppm2 4.929 CV 1
ASSI { 115}
(( segid " " and resid 6 and name HN ))
(( segid " " and resid 6 and name HA ))
2.700 0.900 0.900 peak 115 weight 0.10000E+01 volume 0.35072E-02 ppm1 7.840 ppm2 4.658 CV 1
ASSI { 963}
(( segid " " and resid 1 and name HB1 ))
(( segid " " and resid 1 and name HA ))
2.400 0.700 0.700 peak 963 weight 0.10000E+01 volume 0.70893E-02 ppm1 3.092 ppm2 4.628 CV 1
ASSI { 1032}
(( segid " " and resid 20 and name HB2 ))
(( segid " " and resid 20 and name HA ))
2.500 0.800 0.800 peak 1032 weight 0.10000E+01 volume 0.69769E-02 ppm1 3.060 ppm2 4.627 CV 1
ASSI { 129}
(( segid " " and resid 26 and name H2 ))
(( segid " " and resid 26 and name HA ))
3.400 1.400 1.400 peak 129 weight 0.10000E+01 volume 0.41313E-02 ppm1 7.448 ppm2 4.621 CV 1
ASSI { 810}
(( segid " " and resid 26 and name HB2 ))
(( segid " " and resid 26 and name HA ))
2.400 0.700 0.700 peak 810 weight 0.10000E+01 volume 0.83001E-02 ppm1 3.167 ppm2 4.621 CV 1
OR { 810}
(( segid " " and resid 26 and name HB1 ))
(( segid " " and resid 26 and name HA ))
ASSI { 514}
(( segid " " and resid 15 and name HB2 ))
(( segid " " and resid 19 and name HA ))
3.400 1.400 1.400 peak 514 weight 0.10000E+01 volume 0.75387E-03 ppm1 2.698 ppm2 4.541 CV 1
ASSI { 870}
(( segid " " and resid 2 and name HG1 ))
(( segid " " and resid 2 and name HA ))
2.800 1.000 1.000 peak 870 weight 0.10000E+01 volume 0.27458E-02 ppm1 1.405 ppm2 4.534 CV 1
ASSI { 699}
( segid " " and resid 12 and name HE% )
(( segid " " and resid 12 and name HA ))
4.700 2.800 1.300 peak 699 weight 0.10000E+01 volume 0.53921E-03 ppm1 2.044 ppm2 4.470 CV 1
ASSI { 867}
(( segid " " and resid 12 and name HG1 ))
(( segid " " and resid 12 and name HA ))
3.700 1.700 1.700 peak 867 weight 0.10000E+01 volume 0.13355E-02 ppm1 2.285 ppm2 4.468 CV 1
ASSI { 153}
( segid " " and resid 13 and name HD% )
(( segid " " and resid 12 and name HA ))
3.600 1.700 1.700 peak 153 weight 0.10000E+01 volume 0.75636E-03 ppm1 7.113 ppm2 4.465 CV 1
ASSI { 1016}
(( segid " " and resid 9 and name HG1 ))
(( segid " " and resid 9 and name HA ))
2.900 1.000 1.000 peak 1016 weight 0.10000E+01 volume 0.52922E-02 ppm1 1.677 ppm2 4.460 CV 1
OR { 1016}
(( segid " " and resid 9 and name HG2 ))
(( segid " " and resid 9 and name HA ))
ASSI { 424}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 9 and name HA ))
2.000 0.500 0.500 peak 424 weight 0.10000E+01 volume 0.14603E-01 ppm1 8.709 ppm2 4.460 CV 1
ASSI { 921}
(( segid " " and resid 23 and name HB1 ))
(( segid " " and resid 23 and name HA ))
2.800 1.000 1.000 peak 921 weight 0.10000E+01 volume 0.30579E-02 ppm1 2.094 ppm2 4.455 CV 1
ASSI { 940}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 23 and name HA ))
2.700 0.900 0.900 peak 940 weight 0.10000E+01 volume 0.38193E-02 ppm1 8.398 ppm2 4.447 CV 1
ASSI { 2}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 16 and name HA ))
2.500 0.800 0.800 peak 2 weight 0.10000E+01 volume 0.56413E-02 ppm1 9.738 ppm2 4.437 CV 1
ASSI { 904}
(( segid " " and resid 1 and name HB1 ))
(( segid " " and resid 16 and name HA ))
2.400 0.700 0.700 peak 904 weight 0.10000E+01 volume 0.64651E-02 ppm1 3.094 ppm2 4.437 CV 1
ASSI { 803}
(( segid " " and resid 1 and name HB2 ))
(( segid " " and resid 16 and name HA ))
3.300 1.400 1.400 peak 803 weight 0.10000E+01 volume 0.27209E-02 ppm1 3.283 ppm2 4.436 CV 1
ASSI { 863}
(( segid " " and resid 16 and name HB1 ))
(( segid " " and resid 16 and name HA ))
2.800 1.000 1.000 peak 863 weight 0.10000E+01 volume 0.32950E-02 ppm1 2.816 ppm2 4.436 CV 1
ASSI { 22}
(( segid " " and resid 2 and name HN ))
(( segid " " and resid 16 and name HA ))
4.600 2.700 1.400 peak 22 weight 0.10000E+01 volume 0.39940E-03 ppm1 9.252 ppm2 4.435 CV 1
ASSI { 406}
( segid " " and resid 11 and name HG2%)
(( segid " " and resid 11 and name HB ))
2.300 0.600 0.600 peak 406 weight 0.10000E+01 volume 0.87495E-02 ppm1 1.175 ppm2 4.375 CV 1
ASSI { 444}
(( segid " " and resid 25 and name HA ))
(( segid " " and resid 21 and name HA1 ))
4.400 2.400 1.600 peak 444 weight 0.10000E+01 volume 0.28457E-03 ppm1 5.290 ppm2 4.346 CV 1
ASSI { 116}
(( segid " " and resid 6 and name HN ))
(( segid " " and resid 5 and name HA1 ))
3.000 1.100 1.100 peak 116 weight 0.10000E+01 volume 0.22217E-02 ppm1 7.840 ppm2 4.342 CV 1
ASSI { 703}
(( segid " " and resid 25 and name HG2 ))
(( segid " " and resid 21 and name HA1 ))
4.000 2.000 2.000 peak 703 weight 0.10000E+01 volume 0.45556E-03 ppm1 1.360 ppm2 4.341 CV 1
OR { 703}
(( segid " " and resid 25 and name HG1 ))
(( segid " " and resid 21 and name HA1 ))
ASSI { 313}
(( segid " " and resid 4 and name HA ))
(( segid " " and resid 5 and name HA1 ))
4.900 2.900 1.100 peak 313 weight 0.10000E+01 volume 0.42935E-03 ppm1 3.690 ppm2 4.339 CV 1
ASSI { 1045}
(( segid " " and resid 21 and name HA2 ))
(( segid " " and resid 21 and name HA1 ))
1.700 0.400 0.500 peak 1045 weight 0.10000E+01 volume 0.23839E-01 ppm1 4.127 ppm2 4.330 CV 1
ASSI { 55}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 21 and name HA1 ))
2.300 0.700 0.700 peak 55 weight 0.10000E+01 volume 0.87744E-02 ppm1 8.684 ppm2 4.328 CV 1
ASSI { 669}
(( segid " " and resid 26 and name HA ))
(( segid " " and resid 21 and name HA1 ))
4.000 2.000 2.000 peak 669 weight 0.10000E+01 volume 0.50051E-03 ppm1 4.600 ppm2 4.318 CV 1
ASSI { 45}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 21 and name HA2 ))
4.100 2.100 1.900 peak 45 weight 0.10000E+01 volume 0.43809E-03 ppm1 8.772 ppm2 4.127 CV 1
ASSI { 758}
(( segid " " and resid 20 and name HB1 ))
(( segid " " and resid 21 and name HA2 ))
3.600 1.600 1.600 peak 758 weight 0.10000E+01 volume 0.89367E-03 ppm1 2.817 ppm2 4.119 CV 1
ASSI { 585}
(( segid " " and resid 20 and name HA ))
(( segid " " and resid 21 and name HA2 ))
4.000 2.000 2.000 peak 585 weight 0.10000E+01 volume 0.72391E-03 ppm1 4.624 ppm2 4.115 CV 1
ASSI { 94}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 3 and name HA1 ))
2.400 0.700 0.700 peak 94 weight 0.10000E+01 volume 0.12307E-01 ppm1 8.146 ppm2 4.109 CV 1
ASSI { 63}
(( segid " " and resid 26 and name H1 ))
(( segid " " and resid 18 and name HA1 ))
3.700 1.800 1.800 peak 63 weight 0.10000E+01 volume 0.28082E-03 ppm1 8.537 ppm2 4.085 CV 1
ASSI { 776}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 18 and name HA1 ))
2.100 0.500 0.500 peak 776 weight 0.10000E+01 volume 0.12319E-01 ppm1 8.397 ppm2 4.073 CV 1
ASSI { 710}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 18 and name HA1 ))
2.900 1.100 1.100 peak 710 weight 0.10000E+01 volume 0.37818E-02 ppm1 8.465 ppm2 4.071 CV 1
ASSI { 79}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 24 and name HA1 ))
2.600 0.900 0.900 peak 79 weight 0.10000E+01 volume 0.69894E-02 ppm1 8.255 ppm2 4.032 CV 1
ASSI { 1098}
(( segid " " and resid 24 and name HA2 ))
(( segid " " and resid 24 and name HA1 ))
1.600 0.300 0.600 peak 1098 weight 0.10000E+01 volume 0.32076E-01 ppm1 3.753 ppm2 4.028 CV 1
ASSI { 673}
(( segid " " and resid 9 and name HA ))
(( segid " " and resid 10 and name HA ))
4.500 2.500 1.500 peak 673 weight 0.10000E+01 volume 0.49552E-03 ppm1 4.456 ppm2 3.984 CV 1
ASSI { 44}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 10 and name HA ))
4.600 2.700 1.400 peak 44 weight 0.10000E+01 volume 0.44433E-03 ppm1 8.772 ppm2 3.975 CV 1
ASSI { 914}
(( segid " " and resid 20 and name HB1 ))
(( segid " " and resid 10 and name HA ))
2.800 1.000 1.000 peak 914 weight 0.10000E+01 volume 0.39316E-02 ppm1 2.793 ppm2 3.975 CV 1
ASSI { 817}
(( segid " " and resid 20 and name HB2 ))
(( segid " " and resid 10 and name HA ))
3.000 1.100 1.100 peak 817 weight 0.10000E+01 volume 0.17349E-02 ppm1 3.056 ppm2 3.975 CV 1
ASSI { 46}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 10 and name HA ))
2.500 0.800 0.800 peak 46 weight 0.10000E+01 volume 0.50925E-02 ppm1 8.709 ppm2 3.975 CV 1
ASSI { 544}
(( segid " " and resid 6 and name HN ))
(( segid " " and resid 7 and name HD1 ))
4.600 2.600 1.400 peak 544 weight 0.10000E+01 volume 0.61531E-03 ppm1 7.840 ppm2 3.954 CV 1
ASSI { 624}
(( segid " " and resid 7 and name HB1 ))
(( segid " " and resid 7 and name HD1 ))
3.600 1.600 1.600 peak 624 weight 0.10000E+01 volume 0.10696E-02 ppm1 2.373 ppm2 3.953 CV 1
ASSI { 887}
(( segid " " and resid 6 and name HA ))
(( segid " " and resid 7 and name HD1 ))
2.000 0.500 0.500 peak 887 weight 0.10000E+01 volume 0.12269E-01 ppm1 4.653 ppm2 3.953 CV 1
ASSI { 1062}
(( segid " " and resid 7 and name HD2 ))
(( segid " " and resid 7 and name HD1 ))
1.700 0.300 0.500 peak 1062 weight 0.10000E+01 volume 0.23090E-01 ppm1 3.659 ppm2 3.953 CV 1
ASSI { 823}
(( segid " " and resid 7 and name HG1 ))
(( segid " " and resid 7 and name HD1 ))
2.500 0.800 0.800 peak 823 weight 0.10000E+01 volume 0.31952E-02 ppm1 2.163 ppm2 3.953 CV 1
ASSI { 450}
(( segid " " and resid 7 and name HA ))
(( segid " " and resid 7 and name HD1 ))
3.500 1.500 1.500 peak 450 weight 0.10000E+01 volume 0.90865E-03 ppm1 4.934 ppm2 3.951 CV 1
ASSI { 713}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 18 and name HA2 ))
3.000 1.100 1.100 peak 713 weight 0.10000E+01 volume 0.53796E-02 ppm1 8.398 ppm2 3.816 CV 1
ASSI { 774}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 18 and name HA2 ))
2.200 0.600 0.600 peak 774 weight 0.10000E+01 volume 0.11420E-01 ppm1 8.472 ppm2 3.815 CV 1
ASSI { 1111}
(( segid " " and resid 18 and name HA1 ))
(( segid " " and resid 18 and name HA2 ))
1.500 0.300 0.700 peak 1111 weight 0.10000E+01 volume 0.45556E-01 ppm1 4.085 ppm2 3.808 CV 1
ASSI { 109}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 24 and name HA2 ))
4.600 2.600 1.400 peak 109 weight 0.10000E+01 volume 0.17099E-03 ppm1 7.930 ppm2 3.746 CV 1
ASSI { 755}
(( segid " " and resid 25 and name HD1 ))
(( segid " " and resid 7 and name HD2 ))
4.100 2.100 1.900 peak 755 weight 0.10000E+01 volume 0.69769E-03 ppm1 3.116 ppm2 3.694 CV 1
ASSI { 752}
(( segid " " and resid 26 and name HB1 ))
(( segid " " and resid 4 and name HA ))
2.300 0.700 0.700 peak 752 weight 0.10000E+01 volume 0.71517E-02 ppm1 3.167 ppm2 3.693 CV 1
OR { 752}
(( segid " " and resid 26 and name HB2 ))
(( segid " " and resid 4 and name HA ))
ASSI { 131}
(( segid " " and resid 26 and name H2 ))
(( segid " " and resid 4 and name HA ))
3.600 1.600 1.600 peak 131 weight 0.10000E+01 volume 0.90865E-03 ppm1 7.449 ppm2 3.693 CV 1
ASSI { 825}
(( segid " " and resid 4 and name HB2 ))
(( segid " " and resid 4 and name HA ))
2.800 1.000 1.000 peak 825 weight 0.10000E+01 volume 0.19845E-02 ppm1 1.694 ppm2 3.692 CV 1
ASSI { 643}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 4 and name HA ))
2.300 0.700 0.700 peak 643 weight 0.10000E+01 volume 0.74513E-02 ppm1 8.146 ppm2 3.692 CV 1
ASSI { 977}
( segid " " and resid 6 and name HB% )
(( segid " " and resid 7 and name HD2 ))
2.500 0.800 0.800 peak 977 weight 0.10000E+01 volume 0.61281E-02 ppm1 1.413 ppm2 3.662 CV 1
ASSI { 848}
(( segid " " and resid 6 and name HA ))
(( segid " " and resid 7 and name HD2 ))
2.500 0.800 0.800 peak 848 weight 0.10000E+01 volume 0.69145E-02 ppm1 4.654 ppm2 3.661 CV 1
ASSI { 868}
(( segid " " and resid 7 and name HG1 ))
(( segid " " and resid 7 and name HD2 ))
2.800 1.000 1.000 peak 868 weight 0.10000E+01 volume 0.50301E-02 ppm1 2.164 ppm2 3.660 CV 1
ASSI { 922}
(( segid " " and resid 7 and name HG2 ))
(( segid " " and resid 7 and name HD2 ))
2.500 0.800 0.800 peak 922 weight 0.10000E+01 volume 0.36320E-02 ppm1 1.914 ppm2 3.660 CV 1
OR { 922}
(( segid " " and resid 7 and name HB2 ))
(( segid " " and resid 7 and name HD2 ))
ASSI { 518}
(( segid " " and resid 7 and name HB1 ))
(( segid " " and resid 7 and name HD2 ))
4.100 2.100 1.900 peak 518 weight 0.10000E+01 volume 0.88244E-03 ppm1 2.374 ppm2 3.660 CV 1
ASSI { 183}
(( segid " " and resid 7 and name HA ))
(( segid " " and resid 7 and name HD2 ))
4.000 2.000 2.000 peak 183 weight 0.10000E+01 volume 0.54545E-03 ppm1 4.934 ppm2 3.658 CV 1
ASSI { 1078}
(( segid " " and resid 5 and name HA1 ))
(( segid " " and resid 5 and name HA2 ))
1.800 0.400 0.400 peak 1078 weight 0.10000E+01 volume 0.19346E-01 ppm1 4.356 ppm2 3.600 CV 1
ASSI { 872}
(( segid " " and resid 25 and name HB2 ))
(( segid " " and resid 5 and name HA2 ))
3.700 1.700 1.700 peak 872 weight 0.10000E+01 volume 0.11620E-02 ppm1 1.371 ppm2 3.600 CV 1
ASSI { 840}
(( segid " " and resid 6 and name HN ))
(( segid " " and resid 5 and name HA2 ))
3.200 1.300 1.300 peak 840 weight 0.10000E+01 volume 0.18722E-02 ppm1 7.840 ppm2 3.599 CV 1
ASSI { 53}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 8 and name HB2 ))
5.300 3.500 0.700 peak 53 weight 0.10000E+01 volume 0.16974E-03 ppm1 8.708 ppm2 3.423 CV 1
ASSI { 484}
(( segid " " and resid 9 and name HA ))
(( segid " " and resid 8 and name HB2 ))
4.500 2.600 1.500 peak 484 weight 0.10000E+01 volume 0.39316E-03 ppm1 4.466 ppm2 3.422 CV 1
ASSI { 1107}
(( segid " " and resid 8 and name HB1 ))
(( segid " " and resid 8 and name HB2 ))
1.600 0.300 0.600 peak 1107 weight 0.10000E+01 volume 0.21842E-01 ppm1 2.884 ppm2 3.422 CV 1
ASSI { 32}
(( segid " " and resid 26 and name HN ))
(( segid " " and resid 8 and name HB2 ))
4.800 2.900 1.200 peak 32 weight 0.10000E+01 volume 0.27084E-03 ppm1 8.929 ppm2 3.422 CV 1
ASSI { 554}
( segid " " and resid 13 and name HE% )
(( segid " " and resid 13 and name HB1 ))
4.700 2.800 1.300 peak 554 weight 0.10000E+01 volume 0.56413E-03 ppm1 6.832 ppm2 3.303 CV 1
ASSI { 849}
(( segid " " and resid 1 and name HA ))
(( segid " " and resid 1 and name HB2 ))
2.100 0.600 0.600 peak 849 weight 0.10000E+01 volume 0.12606E-01 ppm1 4.622 ppm2 3.301 CV 1
ASSI { 148}
( segid " " and resid 13 and name HD% )
(( segid " " and resid 13 and name HB1 ))
2.500 0.800 0.800 peak 148 weight 0.10000E+01 volume 0.62779E-02 ppm1 7.125 ppm2 3.300 CV 1
ASSI { 1052}
(( segid " " and resid 1 and name HB1 ))
(( segid " " and resid 1 and name HB2 ))
1.600 0.300 0.600 peak 1052 weight 0.10000E+01 volume 0.31452E-01 ppm1 3.094 ppm2 3.300 CV 1
ASSI { 945}
(( segid " " and resid 13 and name HA ))
(( segid " " and resid 13 and name HB1 ))
2.400 0.700 0.700 peak 945 weight 0.10000E+01 volume 0.44433E-02 ppm1 4.702 ppm2 3.299 CV 1
ASSI { 1106}
(( segid " " and resid 13 and name HB2 ))
(( segid " " and resid 13 and name HB1 ))
1.600 0.300 0.600 peak 1106 weight 0.10000E+01 volume 0.29955E-01 ppm1 2.895 ppm2 3.299 CV 1
ASSI { 138}
(( segid " " and resid 22 and name HE ))
(( segid " " and resid 22 and name HD1 ))
3.200 1.300 1.300 peak 138 weight 0.10000E+01 volume 0.11795E-02 ppm1 7.244 ppm2 3.242 CV 1
OR { 138}
(( segid " " and resid 22 and name HE ))
(( segid " " and resid 22 and name HD2 ))
ASSI { 629}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 16 and name HB2 ))
2.400 0.700 0.700 peak 629 weight 0.10000E+01 volume 0.36070E-02 ppm1 9.738 ppm2 3.241 CV 1
ASSI { 1087}
(( segid " " and resid 16 and name HB1 ))
(( segid " " and resid 16 and name HB2 ))
1.600 0.300 0.600 peak 1087 weight 0.10000E+01 volume 0.36445E-01 ppm1 2.816 ppm2 3.239 CV 1
ASSI { 54}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 22 and name HD2 ))
4.200 2.200 1.800 peak 54 weight 0.10000E+01 volume 0.59034E-03 ppm1 8.684 ppm2 3.239 CV 1
OR { 54}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 22 and name HD1 ))
ASSI { 992}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 16 and name HB2 ))
2.400 0.700 0.700 peak 992 weight 0.10000E+01 volume 0.81129E-02 ppm1 4.442 ppm2 3.239 CV 1
ASSI { 421}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 9 and name HD1 ))
4.900 3.000 1.100 peak 421 weight 0.10000E+01 volume 0.24463E-03 ppm1 8.803 ppm2 3.216 CV 1
OR { 421}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 9 and name HD2 ))
ASSI { 782}
(( segid " " and resid 23 and name HE ))
(( segid " " and resid 23 and name HD2 ))
3.300 1.400 1.400 peak 782 weight 0.10000E+01 volume 0.98475E-03 ppm1 7.219 ppm2 3.200 CV 1
OR { 782}
(( segid " " and resid 23 and name HE ))
(( segid " " and resid 23 and name HD1 ))
ASSI { 850}
(( segid " " and resid 19 and name HA ))
(( segid " " and resid 19 and name HD2 ))
3.800 1.800 1.800 peak 850 weight 0.10000E+01 volume 0.14977E-02 ppm1 4.540 ppm2 3.192 CV 1
OR { 850}
(( segid " " and resid 19 and name HA ))
(( segid " " and resid 19 and name HD1 ))
ASSI { 144}
(( segid " " and resid 19 and name HE ))
(( segid " " and resid 19 and name HD2 ))
3.200 1.300 1.300 peak 144 weight 0.10000E+01 volume 0.13230E-02 ppm1 7.166 ppm2 3.187 CV 1
OR { 144}
(( segid " " and resid 19 and name HE ))
(( segid " " and resid 19 and name HD1 ))
ASSI { 720}
(( segid " " and resid 9 and name HH11))
(( segid " " and resid 9 and name HD2 ))
2.800 1.000 1.000 peak 720 weight 0.10000E+01 volume 0.27958E-02 ppm1 6.804 ppm2 3.176 CV 1
OR { 720}
(( segid " " and resid 9 and name HH11))
(( segid " " and resid 9 and name HD1 ))
OR { 720}
(( segid " " and resid 9 and name HH12))
(( segid " " and resid 9 and name HD2 ))
OR { 720}
(( segid " " and resid 9 and name HH12))
(( segid " " and resid 9 and name HD1 ))
ASSI { 124}
(( segid " " and resid 9 and name HE ))
(( segid " " and resid 9 and name HD1 ))
2.900 1.100 1.100 peak 124 weight 0.10000E+01 volume 0.18971E-02 ppm1 7.515 ppm2 3.175 CV 1
OR { 124}
(( segid " " and resid 9 and name HE ))
(( segid " " and resid 9 and name HD2 ))
ASSI { 364}
(( segid " " and resid 12 and name HG2 ))
(( segid " " and resid 9 and name HD2 ))
4.600 2.700 1.400 peak 364 weight 0.10000E+01 volume 0.27833E-03 ppm1 2.325 ppm2 3.172 CV 1
OR { 364}
(( segid " " and resid 12 and name HG2 ))
(( segid " " and resid 9 and name HD1 ))
ASSI { 128}
(( segid " " and resid 26 and name H2 ))
(( segid " " and resid 26 and name HB1 ))
3.400 1.400 1.400 peak 128 weight 0.10000E+01 volume 0.25087E-02 ppm1 7.448 ppm2 3.170 CV 1
OR { 128}
(( segid " " and resid 26 and name H2 ))
(( segid " " and resid 26 and name HB2 ))
ASSI { 98}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 26 and name HB1 ))
3.900 1.900 1.900 peak 98 weight 0.10000E+01 volume 0.77883E-03 ppm1 8.146 ppm2 3.169 CV 1
OR { 98}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 26 and name HB2 ))
ASSI { 874}
(( segid " " and resid 26 and name HN ))
(( segid " " and resid 26 and name HB2 ))
2.100 0.600 0.600 peak 874 weight 0.10000E+01 volume 0.14977E-01 ppm1 8.928 ppm2 3.168 CV 1
OR { 874}
(( segid " " and resid 26 and name HN ))
(( segid " " and resid 26 and name HB1 ))
ASSI { 114}
(( segid " " and resid 6 and name HN ))
(( segid " " and resid 26 and name HB2 ))
2.500 0.800 0.800 peak 114 weight 0.10000E+01 volume 0.72640E-02 ppm1 7.840 ppm2 3.168 CV 1
OR { 114}
(( segid " " and resid 6 and name HN ))
(( segid " " and resid 26 and name HB1 ))
ASSI { 721}
(( segid " " and resid 25 and name HA ))
(( segid " " and resid 25 and name HD1 ))
3.200 1.300 1.300 peak 721 weight 0.10000E+01 volume 0.13355E-02 ppm1 5.291 ppm2 3.124 CV 1
ASSI { 1091}
(( segid " " and resid 15 and name HB2 ))
(( segid " " and resid 15 and name HB1 ))
1.600 0.300 0.600 peak 1091 weight 0.10000E+01 volume 0.31952E-01 ppm1 2.698 ppm2 3.122 CV 1
ASSI { 163}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 25 and name HD1 ))
5.100 3.200 0.900 peak 163 weight 0.10000E+01 volume 0.19970E-03 ppm1 7.094 ppm2 3.120 CV 1
ASSI { 93}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 2 and name HE1 ))
5.500 3.700 0.500 peak 93 weight 0.10000E+01 volume 0.20968E-03 ppm1 8.195 ppm2 3.079 CV 1
OR { 93}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 2 and name HE2 ))
ASSI { 798}
(( segid " " and resid 8 and name HB2 ))
(( segid " " and resid 2 and name HE1 ))
2.900 1.100 1.100 peak 798 weight 0.10000E+01 volume 0.23465E-02 ppm1 3.404 ppm2 3.074 CV 1
OR { 798}
(( segid " " and resid 8 and name HB2 ))
(( segid " " and resid 2 and name HE2 ))
ASSI { 635}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 20 and name HB2 ))
2.800 1.000 1.000 peak 635 weight 0.10000E+01 volume 0.75886E-02 ppm1 8.771 ppm2 3.074 CV 1
ASSI { 347}
(( segid " " and resid 8 and name HB1 ))
(( segid " " and resid 2 and name HE1 ))
4.800 2.900 1.200 peak 347 weight 0.10000E+01 volume 0.34074E-03 ppm1 2.910 ppm2 3.064 CV 1
OR { 347}
(( segid " " and resid 8 and name HB1 ))
(( segid " " and resid 2 and name HE2 ))
ASSI { 722}
(( segid " " and resid 25 and name HA ))
(( segid " " and resid 25 and name HD2 ))
3.600 1.700 1.700 peak 722 weight 0.10000E+01 volume 0.66898E-03 ppm1 5.291 ppm2 3.029 CV 1
ASSI { 781}
(( segid " " and resid 25 and name HE ))
(( segid " " and resid 25 and name HD2 ))
2.600 0.900 0.900 peak 781 weight 0.10000E+01 volume 0.29456E-02 ppm1 7.223 ppm2 3.025 CV 1
ASSI { 33}
(( segid " " and resid 26 and name HN ))
(( segid " " and resid 25 and name HD2 ))
4.700 2.800 1.300 peak 33 weight 0.10000E+01 volume 0.24713E-03 ppm1 8.928 ppm2 3.023 CV 1
ASSI { 499}
(( segid " " and resid 5 and name HA2 ))
(( segid " " and resid 25 and name HD2 ))
3.700 1.700 1.700 peak 499 weight 0.10000E+01 volume 0.37319E-03 ppm1 3.611 ppm2 3.018 CV 1
ASSI { 164}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 25 and name HD2 ))
5.200 3.300 0.800 peak 164 weight 0.10000E+01 volume 0.20095E-03 ppm1 7.094 ppm2 3.018 CV 1
ASSI { 598}
(( segid " " and resid 24 and name HA1 ))
(( segid " " and resid 10 and name HE2 ))
4.200 2.200 1.800 peak 598 weight 0.10000E+01 volume 0.30080E-03 ppm1 4.013 ppm2 2.989 CV 1
OR { 598}
(( segid " " and resid 24 and name HA1 ))
(( segid " " and resid 10 and name HE1 ))
ASSI { 494}
(( segid " " and resid 24 and name HA2 ))
(( segid " " and resid 10 and name HE2 ))
4.500 2.500 1.500 peak 494 weight 0.10000E+01 volume 0.24837E-03 ppm1 3.753 ppm2 2.983 CV 1
OR { 494}
(( segid " " and resid 24 and name HA2 ))
(( segid " " and resid 10 and name HE1 ))
ASSI { 596}
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 10 and name HE2 ))
4.100 2.100 1.900 peak 596 weight 0.10000E+01 volume 0.34698E-03 ppm1 4.071 ppm2 2.983 CV 1
OR { 596}
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 10 and name HE1 ))
ASSI { 177}
(( segid " " and resid 25 and name HA ))
(( segid " " and resid 8 and name HB1 ))
4.500 2.500 1.500 peak 177 weight 0.10000E+01 volume 0.33574E-03 ppm1 5.291 ppm2 2.905 CV 1
ASSI { 448}
(( segid " " and resid 8 and name HA ))
(( segid " " and resid 8 and name HB1 ))
2.300 0.600 0.600 peak 448 weight 0.10000E+01 volume 0.82751E-02 ppm1 4.967 ppm2 2.904 CV 1
ASSI { 846}
(( segid " " and resid 13 and name HA ))
(( segid " " and resid 13 and name HB2 ))
3.200 1.300 1.300 peak 846 weight 0.10000E+01 volume 0.21967E-02 ppm1 4.696 ppm2 2.904 CV 1
ASSI { 30}
(( segid " " and resid 26 and name HN ))
(( segid " " and resid 8 and name HB1 ))
3.200 1.300 1.300 peak 30 weight 0.10000E+01 volume 0.96977E-03 ppm1 8.929 ppm2 2.904 CV 1
ASSI { 168}
( segid " " and resid 13 and name HE% )
(( segid " " and resid 13 and name HB2 ))
4.600 2.700 1.400 peak 168 weight 0.10000E+01 volume 0.64402E-03 ppm1 6.832 ppm2 2.903 CV 1
ASSI { 149}
( segid " " and resid 13 and name HD% )
(( segid " " and resid 13 and name HB2 ))
2.400 0.700 0.700 peak 149 weight 0.10000E+01 volume 0.74013E-02 ppm1 7.125 ppm2 2.902 CV 1
ASSI { 676}
(( segid " " and resid 3 and name HA1 ))
(( segid " " and resid 16 and name HB1 ))
4.700 2.700 1.300 peak 676 weight 0.10000E+01 volume 0.57536E-03 ppm1 4.090 ppm2 2.823 CV 1
ASSI { 3}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 16 and name HB1 ))
2.900 1.000 1.000 peak 3 weight 0.10000E+01 volume 0.74013E-02 ppm1 9.739 ppm2 2.823 CV 1
ASSI { 102}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 16 and name HB1 ))
5.000 3.100 1.000 peak 102 weight 0.10000E+01 volume 0.18347E-03 ppm1 8.146 ppm2 2.821 CV 1
ASSI { 307}
(( segid " " and resid 3 and name HA2 ))
(( segid " " and resid 16 and name HB1 ))
4.300 2.400 1.700 peak 307 weight 0.10000E+01 volume 0.28207E-03 ppm1 3.807 ppm2 2.818 CV 1
ASSI { 666}
(( segid " " and resid 20 and name HA ))
(( segid " " and resid 20 and name HB1 ))
2.800 1.000 1.000 peak 666 weight 0.10000E+01 volume 0.29331E-02 ppm1 4.625 ppm2 2.804 CV 1
ASSI { 639}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 14 and name HB1 ))
3.100 1.200 1.200 peak 639 weight 0.10000E+01 volume 0.40439E-02 ppm1 8.198 ppm2 2.802 CV 1
ASSI { 404}
(( segid " " and resid 10 and name HG2 ))
(( segid " " and resid 20 and name HB1 ))
4.700 2.800 1.300 peak 404 weight 0.10000E+01 volume 0.24088E-03 ppm1 1.385 ppm2 2.802 CV 1
ASSI { 847}
(( segid " " and resid 14 and name HA ))
(( segid " " and resid 14 and name HB1 ))
2.600 0.800 0.800 peak 847 weight 0.10000E+01 volume 0.46306E-02 ppm1 4.682 ppm2 2.801 CV 1
ASSI { 49}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 20 and name HB1 ))
4.400 2.400 1.600 peak 49 weight 0.10000E+01 volume 0.42186E-03 ppm1 8.709 ppm2 2.801 CV 1
ASSI { 1066}
(( segid " " and resid 14 and name HB2 ))
(( segid " " and resid 14 and name HB1 ))
1.600 0.300 0.600 peak 1066 weight 0.10000E+01 volume 0.25087E-01 ppm1 2.610 ppm2 2.800 CV 1
ASSI { 1104}
(( segid " " and resid 20 and name HB2 ))
(( segid " " and resid 20 and name HB1 ))
1.700 0.400 0.500 peak 1104 weight 0.10000E+01 volume 0.24213E-01 ppm1 3.082 ppm2 2.800 CV 1
ASSI { 649}
(( segid " " and resid 8 and name HA ))
(( segid " " and resid 14 and name HB1 ))
4.600 2.600 1.400 peak 649 weight 0.10000E+01 volume 0.57661E-03 ppm1 4.971 ppm2 2.799 CV 1
ASSI { 5}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 15 and name HB2 ))
3.800 1.800 1.800 peak 5 weight 0.10000E+01 volume 0.14853E-02 ppm1 9.739 ppm2 2.704 CV 1
ASSI { 62}
(( segid " " and resid 26 and name H1 ))
(( segid " " and resid 15 and name HB2 ))
4.400 2.400 1.600 peak 62 weight 0.10000E+01 volume 0.18597E-03 ppm1 8.538 ppm2 2.702 CV 1
ASSI { 744}
(( segid " " and resid 8 and name HB2 ))
(( segid " " and resid 14 and name HB2 ))
3.300 1.300 1.300 peak 744 weight 0.10000E+01 volume 0.13979E-02 ppm1 3.433 ppm2 2.605 CV 1
ASSI { 449}
(( segid " " and resid 8 and name HA ))
(( segid " " and resid 14 and name HB2 ))
4.600 2.600 1.400 peak 449 weight 0.10000E+01 volume 0.68022E-03 ppm1 4.963 ppm2 2.604 CV 1
ASSI { 258}
(( segid " " and resid 14 and name HA ))
(( segid " " and resid 14 and name HB2 ))
2.600 0.800 0.800 peak 258 weight 0.10000E+01 volume 0.52548E-02 ppm1 4.683 ppm2 2.604 CV 1
ASSI { 267}
(( segid " " and resid 6 and name HA ))
(( segid " " and resid 7 and name HB1 ))
5.500 3.800 0.500 peak 267 weight 0.10000E+01 volume 0.24588E-03 ppm1 4.657 ppm2 2.380 CV 1
ASSI { 697}
(( segid " " and resid 7 and name HG1 ))
(( segid " " and resid 7 and name HB1 ))
2.600 0.800 0.800 peak 697 weight 0.10000E+01 volume 0.27833E-02 ppm1 2.166 ppm2 2.376 CV 1
ASSI { 650}
(( segid " " and resid 7 and name HA ))
(( segid " " and resid 7 and name HB1 ))
2.200 0.600 0.600 peak 650 weight 0.10000E+01 volume 0.66399E-02 ppm1 4.932 ppm2 2.375 CV 1
ASSI { 175}
(( segid " " and resid 25 and name HA ))
(( segid " " and resid 7 and name HB1 ))
4.900 3.000 1.100 peak 175 weight 0.10000E+01 volume 0.42061E-03 ppm1 5.292 ppm2 2.373 CV 1
ASSI { 1072}
(( segid " " and resid 7 and name HB2 ))
(( segid " " and resid 7 and name HB1 ))
1.800 0.400 0.400 peak 1072 weight 0.10000E+01 volume 0.20095E-01 ppm1 1.911 ppm2 2.372 CV 1
OR { 1072}
(( segid " " and resid 7 and name HG2 ))
(( segid " " and resid 7 and name HB1 ))
ASSI { 127}
(( segid " " and resid 9 and name HE ))
(( segid " " and resid 12 and name HG2 ))
4.300 2.300 1.700 peak 127 weight 0.10000E+01 volume 0.25462E-03 ppm1 7.516 ppm2 2.334 CV 1
ASSI { 170}
(( segid " " and resid 9 and name HH21))
(( segid " " and resid 12 and name HG2 ))
4.700 2.700 1.300 peak 170 weight 0.10000E+01 volume 0.25087E-03 ppm1 6.807 ppm2 2.331 CV 1
OR { 170}
(( segid " " and resid 9 and name HH22))
(( segid " " and resid 12 and name HG2 ))
OR { 170}
(( segid " " and resid 9 and name HH12))
(( segid " " and resid 12 and name HG2 ))
ASSI { 332}
(( segid " " and resid 9 and name HD2 ))
(( segid " " and resid 12 and name HG2 ))
4.600 2.700 1.400 peak 332 weight 0.10000E+01 volume 0.25961E-03 ppm1 3.165 ppm2 2.328 CV 1
ASSI { 388}
(( segid " " and resid 9 and name HB2 ))
(( segid " " and resid 12 and name HG2 ))
4.900 3.000 1.100 peak 388 weight 0.10000E+01 volume 0.29955E-03 ppm1 1.803 ppm2 2.322 CV 1
OR { 388}
(( segid " " and resid 9 and name HB1 ))
(( segid " " and resid 12 and name HG2 ))
ASSI { 81}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 12 and name HG1 ))
4.400 2.500 1.600 peak 81 weight 0.10000E+01 volume 0.30205E-03 ppm1 8.251 ppm2 2.312 CV 1
OR { 81}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 12 and name HG2 ))
ASSI { 546}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 12 and name HG2 ))
3.000 1.100 1.100 peak 546 weight 0.10000E+01 volume 0.15976E-02 ppm1 7.767 ppm2 2.298 CV 1
OR { 546}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 12 and name HG1 ))
ASSI { 590}
(( segid " " and resid 12 and name HA ))
(( segid " " and resid 12 and name HG2 ))
3.500 1.500 1.500 peak 590 weight 0.10000E+01 volume 0.20095E-02 ppm1 4.465 ppm2 2.295 CV 1
OR { 590}
(( segid " " and resid 12 and name HA ))
(( segid " " and resid 12 and name HG1 ))
ASSI { 1071}
(( segid " " and resid 7 and name HG2 ))
(( segid " " and resid 7 and name HG1 ))
1.800 0.400 0.400 peak 1071 weight 0.10000E+01 volume 0.16101E-01 ppm1 1.914 ppm2 2.171 CV 1
OR { 1071}
(( segid " " and resid 7 and name HB2 ))
(( segid " " and resid 7 and name HG1 ))
ASSI { 451}
(( segid " " and resid 7 and name HA ))
(( segid " " and resid 7 and name HG1 ))
3.900 1.900 1.900 peak 451 weight 0.10000E+01 volume 0.68771E-03 ppm1 4.932 ppm2 2.171 CV 1
ASSI { 268}
(( segid " " and resid 6 and name HA ))
(( segid " " and resid 7 and name HG1 ))
5.300 3.500 0.700 peak 268 weight 0.10000E+01 volume 0.40689E-03 ppm1 4.655 ppm2 2.170 CV 1
ASSI { 160}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 23 and name HB1 ))
4.200 2.200 1.800 peak 160 weight 0.10000E+01 volume 0.30579E-03 ppm1 7.095 ppm2 2.101 CV 1
ASSI { 143}
(( segid " " and resid 23 and name HE ))
(( segid " " and resid 23 and name HB1 ))
4.800 2.900 1.200 peak 143 weight 0.10000E+01 volume 0.24088E-03 ppm1 7.219 ppm2 2.100 CV 1
ASSI { 1056}
(( segid " " and resid 23 and name HB2 ))
(( segid " " and resid 23 and name HB1 ))
1.800 0.400 0.400 peak 1056 weight 0.10000E+01 volume 0.14353E-01 ppm1 1.758 ppm2 2.099 CV 1
ASSI { 73}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 23 and name HB1 ))
3.500 1.600 1.600 peak 73 weight 0.10000E+01 volume 0.14478E-02 ppm1 8.386 ppm2 2.099 CV 1
ASSI { 330}
(( segid " " and resid 23 and name HD2 ))
(( segid " " and resid 23 and name HB1 ))
3.200 1.300 1.300 peak 330 weight 0.10000E+01 volume 0.14728E-02 ppm1 3.198 ppm2 2.098 CV 1
OR { 330}
(( segid " " and resid 23 and name HD1 ))
(( segid " " and resid 23 and name HB1 ))
ASSI { 85}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 23 and name HB1 ))
4.100 2.100 1.900 peak 85 weight 0.10000E+01 volume 0.39940E-03 ppm1 8.255 ppm2 2.096 CV 1
ASSI { 664}
(( segid " " and resid 6 and name HA ))
(( segid " " and resid 7 and name HG2 ))
5.100 3.200 0.900 peak 664 weight 0.10000E+01 volume 0.54795E-03 ppm1 4.656 ppm2 1.927 CV 1
OR { 664}
(( segid " " and resid 6 and name HA ))
(( segid " " and resid 7 and name HB2 ))
ASSI { 997}
(( segid " " and resid 7 and name HD1 ))
(( segid " " and resid 7 and name HG2 ))
2.900 1.000 1.000 peak 997 weight 0.10000E+01 volume 0.48678E-02 ppm1 3.946 ppm2 1.924 CV 1
OR { 997}
(( segid " " and resid 7 and name HD1 ))
(( segid " " and resid 7 and name HB2 ))
ASSI { 141}
(( segid " " and resid 22 and name HE ))
(( segid " " and resid 22 and name HB1 ))
4.900 3.100 1.100 peak 141 weight 0.10000E+01 volume 0.18347E-03 ppm1 7.224 ppm2 1.919 CV 1
OR { 141}
(( segid " " and resid 22 and name HE ))
(( segid " " and resid 22 and name HB2 ))
ASSI { 920}
(( segid " " and resid 12 and name HG1 ))
(( segid " " and resid 12 and name HB2 ))
2.700 0.900 0.900 peak 920 weight 0.10000E+01 volume 0.29580E-02 ppm1 2.285 ppm2 1.911 CV 1
OR { 920}
(( segid " " and resid 12 and name HG1 ))
(( segid " " and resid 12 and name HB1 ))
ASSI { 445}
(( segid " " and resid 25 and name HA ))
(( segid " " and resid 7 and name HB2 ))
5.100 3.200 0.900 peak 445 weight 0.10000E+01 volume 0.35946E-03 ppm1 5.290 ppm2 1.910 CV 1
OR { 445}
(( segid " " and resid 25 and name HA ))
(( segid " " and resid 7 and name HG2 ))
ASSI { 991}
(( segid " " and resid 12 and name HA ))
(( segid " " and resid 12 and name HB1 ))
2.400 0.700 0.700 peak 991 weight 0.10000E+01 volume 0.57162E-02 ppm1 4.465 ppm2 1.908 CV 1
OR { 991}
(( segid " " and resid 12 and name HA ))
(( segid " " and resid 12 and name HB2 ))
ASSI { 637}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 12 and name HB2 ))
2.200 0.600 0.600 peak 637 weight 0.10000E+01 volume 0.43559E-02 ppm1 8.254 ppm2 1.908 CV 1
OR { 637}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 12 and name HB1 ))
ASSI { 154}
( segid " " and resid 13 and name HD% )
(( segid " " and resid 12 and name HB2 ))
3.900 1.900 1.900 peak 154 weight 0.10000E+01 volume 0.67273E-03 ppm1 7.110 ppm2 1.905 CV 1
ASSI { 550}
(( segid " " and resid 9 and name HE ))
(( segid " " and resid 12 and name HB1 ))
4.800 2.900 1.200 peak 550 weight 0.10000E+01 volume 0.32825E-03 ppm1 7.514 ppm2 1.904 CV 1
OR { 550}
(( segid " " and resid 9 and name HE ))
(( segid " " and resid 12 and name HB2 ))
ASSI { 1019}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 22 and name HB2 ))
2.300 0.700 0.700 peak 1019 weight 0.10000E+01 volume 0.94980E-02 ppm1 8.684 ppm2 1.901 CV 1
OR { 1019}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 22 and name HB1 ))
ASSI { 286}
(( segid " " and resid 21 and name HA1 ))
(( segid " " and resid 22 and name HB2 ))
5.500 3.700 0.500 peak 286 weight 0.10000E+01 volume 0.20594E-03 ppm1 4.310 ppm2 1.900 CV 1
OR { 286}
(( segid " " and resid 21 and name HA1 ))
(( segid " " and resid 22 and name HB1 ))
ASSI { 780}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 12 and name HB1 ))
2.800 1.000 1.000 peak 780 weight 0.10000E+01 volume 0.40938E-02 ppm1 7.768 ppm2 1.899 CV 1
OR { 780}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 12 and name HB2 ))
ASSI { 294}
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 22 and name HB1 ))
2.400 0.700 0.700 peak 294 weight 0.10000E+01 volume 0.83875E-02 ppm1 4.067 ppm2 1.899 CV 1
OR { 294}
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 22 and name HB2 ))
ASSI { 714}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 22 and name HB2 ))
3.300 1.400 1.400 peak 714 weight 0.10000E+01 volume 0.12019E-02 ppm1 8.386 ppm2 1.897 CV 1
OR { 714}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 22 and name HB1 ))
ASSI { 806}
(( segid " " and resid 22 and name HD1 ))
(( segid " " and resid 22 and name HB1 ))
3.300 1.300 1.300 peak 806 weight 0.10000E+01 volume 0.13604E-02 ppm1 3.236 ppm2 1.896 CV 1
OR { 806}
(( segid " " and resid 22 and name HD1 ))
(( segid " " and resid 22 and name HB2 ))
OR { 806}
(( segid " " and resid 22 and name HD2 ))
(( segid " " and resid 22 and name HB1 ))
OR { 806}
(( segid " " and resid 22 and name HD2 ))
(( segid " " and resid 22 and name HB2 ))
ASSI { 516}
(( segid " " and resid 14 and name HB2 ))
(( segid " " and resid 2 and name HB1 ))
4.300 2.300 1.700 peak 516 weight 0.10000E+01 volume 0.60282E-03 ppm1 2.610 ppm2 1.896 CV 1
ASSI { 508}
(( segid " " and resid 8 and name HB1 ))
(( segid " " and resid 2 and name HB1 ))
3.600 1.600 1.600 peak 508 weight 0.10000E+01 volume 0.48803E-03 ppm1 2.913 ppm2 1.883 CV 1
OR { 508}
(( segid " " and resid 8 and name HB1 ))
(( segid " " and resid 2 and name HB2 ))
ASSI { 321}
(( segid " " and resid 8 and name HB2 ))
(( segid " " and resid 2 and name HB2 ))
4.800 2.900 1.200 peak 321 weight 0.10000E+01 volume 0.29456E-03 ppm1 3.404 ppm2 1.882 CV 1
OR { 321}
(( segid " " and resid 8 and name HB2 ))
(( segid " " and resid 2 and name HB1 ))
ASSI { 684}
(( segid " " and resid 1 and name HB1 ))
(( segid " " and resid 2 and name HB2 ))
4.300 2.300 1.700 peak 684 weight 0.10000E+01 volume 0.63278E-03 ppm1 3.099 ppm2 1.881 CV 1
OR { 684}
(( segid " " and resid 1 and name HB1 ))
(( segid " " and resid 2 and name HB1 ))
ASSI { 6}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 2 and name HB2 ))
3.400 1.500 1.500 peak 6 weight 0.10000E+01 volume 0.15851E-02 ppm1 9.739 ppm2 1.877 CV 1
OR { 6}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 2 and name HB1 ))
ASSI { 15}
(( segid " " and resid 2 and name HN ))
(( segid " " and resid 2 and name HB2 ))
2.500 0.800 0.800 peak 15 weight 0.10000E+01 volume 0.56787E-02 ppm1 9.248 ppm2 1.876 CV 1
OR { 15}
(( segid " " and resid 2 and name HN ))
(( segid " " and resid 2 and name HB1 ))
ASSI { 686}
(( segid " " and resid 2 and name HE1 ))
(( segid " " and resid 2 and name HB1 ))
4.500 2.500 1.500 peak 686 weight 0.10000E+01 volume 0.55789E-03 ppm1 3.060 ppm2 1.871 CV 1
OR { 686}
(( segid " " and resid 2 and name HE2 ))
(( segid " " and resid 2 and name HB1 ))
OR { 686}
(( segid " " and resid 2 and name HE1 ))
(( segid " " and resid 2 and name HB2 ))
OR { 686}
(( segid " " and resid 2 and name HE2 ))
(( segid " " and resid 2 and name HB2 ))
ASSI { 634}
(( segid " " and resid 3 and name HN ))
(( segid " " and resid 2 and name HB2 ))
2.800 1.000 1.000 peak 634 weight 0.10000E+01 volume 0.31577E-02 ppm1 8.861 ppm2 1.854 CV 1
ASSI { 438}
(( segid " " and resid 6 and name HN ))
(( segid " " and resid 2 and name HB2 ))
4.300 2.300 1.700 peak 438 weight 0.10000E+01 volume 0.50925E-03 ppm1 7.841 ppm2 1.851 CV 1
ASSI { 996}
(( segid " " and resid 10 and name HA ))
(( segid " " and resid 10 and name HB1 ))
2.500 0.800 0.800 peak 996 weight 0.10000E+01 volume 0.54545E-02 ppm1 3.970 ppm2 1.826 CV 1
OR { 996}
(( segid " " and resid 10 and name HA ))
(( segid " " and resid 10 and name HB2 ))
ASSI { 410}
( segid " " and resid 11 and name HG2%)
(( segid " " and resid 9 and name HB2 ))
3.700 1.700 1.700 peak 410 weight 0.10000E+01 volume 0.93607E-03 ppm1 1.169 ppm2 1.817 CV 1
ASSI { 549}
(( segid " " and resid 9 and name HE ))
(( segid " " and resid 9 and name HB2 ))
4.200 2.200 1.800 peak 549 weight 0.10000E+01 volume 0.81628E-03 ppm1 7.516 ppm2 1.808 CV 1
OR { 549}
(( segid " " and resid 9 and name HE ))
(( segid " " and resid 9 and name HB1 ))
ASSI { 1023}
(( segid " " and resid 9 and name HA ))
(( segid " " and resid 9 and name HB1 ))
2.500 0.800 0.800 peak 1023 weight 0.10000E+01 volume 0.51924E-02 ppm1 4.453 ppm2 1.805 CV 1
OR { 1023}
(( segid " " and resid 9 and name HA ))
(( segid " " and resid 9 and name HB2 ))
ASSI { 875}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 19 and name HB2 ))
2.600 0.900 0.900 peak 875 weight 0.10000E+01 volume 0.40189E-02 ppm1 8.771 ppm2 1.785 CV 1
ASSI { 998}
(( segid " " and resid 4 and name HA ))
(( segid " " and resid 4 and name HB1 ))
2.700 0.900 0.900 peak 998 weight 0.10000E+01 volume 0.46556E-02 ppm1 3.701 ppm2 1.784 CV 1
ASSI { 146}
(( segid " " and resid 19 and name HE ))
(( segid " " and resid 19 and name HB2 ))
5.100 3.300 0.900 peak 146 weight 0.10000E+01 volume 0.17349E-03 ppm1 7.165 ppm2 1.783 CV 1
ASSI { 1036}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 4 and name HB1 ))
2.300 0.700 0.700 peak 1036 weight 0.10000E+01 volume 0.11458E-01 ppm1 8.146 ppm2 1.783 CV 1
ASSI { 632}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 4 and name HB1 ))
3.900 1.900 1.900 peak 632 weight 0.10000E+01 volume 0.91364E-03 ppm1 8.905 ppm2 1.782 CV 1
ASSI { 426}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 17 and name HB1 ))
3.600 1.600 1.600 peak 426 weight 0.10000E+01 volume 0.16849E-02 ppm1 8.472 ppm2 1.761 CV 1
OR { 426}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 17 and name HB2 ))
ASSI { 980}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 23 and name HB2 ))
2.400 0.700 0.700 peak 980 weight 0.10000E+01 volume 0.58160E-02 ppm1 8.397 ppm2 1.760 CV 1
ASSI { 441}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 23 and name HB2 ))
4.100 2.100 1.900 peak 441 weight 0.10000E+01 volume 0.45182E-03 ppm1 7.097 ppm2 1.752 CV 1
ASSI { 82}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 23 and name HB2 ))
3.900 1.900 1.900 peak 82 weight 0.10000E+01 volume 0.64152E-03 ppm1 8.255 ppm2 1.745 CV 1
ASSI { 595}
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 22 and name HG2 ))
3.000 1.100 1.100 peak 595 weight 0.10000E+01 volume 0.25961E-02 ppm1 4.068 ppm2 1.727 CV 1
OR { 595}
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 22 and name HG1 ))
ASSI { 978}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 22 and name HG1 ))
2.600 0.900 0.900 peak 978 weight 0.10000E+01 volume 0.47929E-02 ppm1 8.684 ppm2 1.719 CV 1
OR { 978}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 22 and name HG2 ))
ASSI { 1055}
(( segid " " and resid 22 and name HB2 ))
(( segid " " and resid 22 and name HG1 ))
2.400 0.700 0.700 peak 1055 weight 0.10000E+01 volume 0.71018E-02 ppm1 1.881 ppm2 1.719 CV 1
OR { 1055}
(( segid " " and resid 22 and name HB1 ))
(( segid " " and resid 22 and name HG2 ))
OR { 1055}
(( segid " " and resid 22 and name HB1 ))
(( segid " " and resid 22 and name HG1 ))
OR { 1055}
(( segid " " and resid 22 and name HB2 ))
(( segid " " and resid 22 and name HG2 ))
ASSI { 858}
(( segid " " and resid 10 and name HE2 ))
(( segid " " and resid 10 and name HD1 ))
2.900 1.100 1.100 peak 858 weight 0.10000E+01 volume 0.22341E-02 ppm1 2.965 ppm2 1.695 CV 1
OR { 858}
(( segid " " and resid 10 and name HE1 ))
(( segid " " and resid 10 and name HD2 ))
OR { 858}
(( segid " " and resid 10 and name HE2 ))
(( segid " " and resid 10 and name HD2 ))
OR { 858}
(( segid " " and resid 10 and name HE1 ))
(( segid " " and resid 10 and name HD1 ))
ASSI { 25}
(( segid " " and resid 2 and name HN ))
(( segid " " and resid 2 and name HG2 ))
4.500 2.500 1.500 peak 25 weight 0.10000E+01 volume 0.35197E-03 ppm1 9.248 ppm2 1.691 CV 1
ASSI { 1037}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 4 and name HB2 ))
2.200 0.600 0.600 peak 1037 weight 0.10000E+01 volume 0.97352E-02 ppm1 8.146 ppm2 1.689 CV 1
ASSI { 955}
(( segid " " and resid 4 and name HA ))
(( segid " " and resid 4 and name HB2 ))
2.500 0.800 0.800 peak 955 weight 0.10000E+01 volume 0.54170E-02 ppm1 3.687 ppm2 1.688 CV 1
OR { 955}
(( segid " " and resid 4 and name HA ))
(( segid " " and resid 4 and name HD2 ))
ASSI { 820}
(( segid " " and resid 12 and name HG2 ))
(( segid " " and resid 9 and name HG1 ))
3.600 1.600 1.600 peak 820 weight 0.10000E+01 volume 0.10534E-02 ppm1 2.326 ppm2 1.688 CV 1
OR { 820}
(( segid " " and resid 12 and name HG2 ))
(( segid " " and resid 9 and name HG2 ))
ASSI { 122}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 9 and name HG1 ))
3.900 1.900 1.900 peak 122 weight 0.10000E+01 volume 0.46681E-03 ppm1 7.767 ppm2 1.687 CV 1
OR { 122}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 9 and name HG2 ))
ASSI { 633}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 4 and name HB2 ))
4.100 2.100 1.900 peak 633 weight 0.10000E+01 volume 0.89991E-03 ppm1 8.904 ppm2 1.687 CV 1
OR { 633}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 4 and name HD2 ))
ASSI { 493}
(( segid " " and resid 24 and name HA2 ))
(( segid " " and resid 10 and name HD1 ))
4.400 2.400 1.600 peak 493 weight 0.10000E+01 volume 0.28082E-03 ppm1 3.761 ppm2 1.685 CV 1
OR { 493}
(( segid " " and resid 24 and name HA2 ))
(( segid " " and resid 10 and name HD2 ))
ASSI { 938}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 9 and name HG2 ))
2.300 0.600 0.600 peak 938 weight 0.10000E+01 volume 0.61905E-02 ppm1 8.808 ppm2 1.684 CV 1
OR { 938}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 9 and name HG1 ))
ASSI { 134}
(( segid " " and resid 26 and name H2 ))
(( segid " " and resid 4 and name HB2 ))
3.600 1.600 1.600 peak 134 weight 0.10000E+01 volume 0.21468E-03 ppm1 7.449 ppm2 1.684 CV 1
OR { 134}
(( segid " " and resid 26 and name H2 ))
(( segid " " and resid 4 and name HD2 ))
OR { 134}
(( segid " " and resid 26 and name H2 ))
(( segid " " and resid 4 and name HD1 ))
ASSI { 548}
(( segid " " and resid 9 and name HE ))
(( segid " " and resid 9 and name HG1 ))
2.500 0.800 0.800 peak 548 weight 0.10000E+01 volume 0.46180E-02 ppm1 7.516 ppm2 1.683 CV 1
OR { 548}
(( segid " " and resid 9 and name HE ))
(( segid " " and resid 9 and name HG2 ))
ASSI { 172}
(( segid " " and resid 9 and name HH11))
(( segid " " and resid 9 and name HG1 ))
4.400 2.400 1.600 peak 172 weight 0.10000E+01 volume 0.54795E-03 ppm1 6.804 ppm2 1.683 CV 1
OR { 172}
(( segid " " and resid 9 and name HH11))
(( segid " " and resid 9 and name HG2 ))
OR { 172}
(( segid " " and resid 9 and name HH12))
(( segid " " and resid 9 and name HG1 ))
OR { 172}
(( segid " " and resid 9 and name HH12))
(( segid " " and resid 9 and name HG2 ))
OR { 172}
(( segid " " and resid 9 and name HH22))
(( segid " " and resid 9 and name HG1 ))
OR { 172}
(( segid " " and resid 9 and name HH22))
(( segid " " and resid 9 and name HG2 ))
ASSI { 110}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 9 and name HG1 ))
3.700 1.700 1.700 peak 110 weight 0.10000E+01 volume 0.57911E-03 ppm1 7.916 ppm2 1.681 CV 1
OR { 110}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 9 and name HG2 ))
ASSI { 303}
(( segid " " and resid 10 and name HA ))
(( segid " " and resid 10 and name HD2 ))
4.500 2.500 1.500 peak 303 weight 0.10000E+01 volume 0.43185E-03 ppm1 3.969 ppm2 1.675 CV 1
OR { 303}
(( segid " " and resid 10 and name HA ))
(( segid " " and resid 10 and name HD1 ))
ASSI { 540}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 19 and name HG2 ))
3.600 1.600 1.600 peak 540 weight 0.10000E+01 volume 0.82377E-03 ppm1 8.472 ppm2 1.632 CV 1
OR { 540}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 19 and name HB1 ))
ASSI { 492}
(( segid " " and resid 3 and name HA2 ))
(( segid " " and resid 2 and name HD1 ))
5.200 3.400 0.800 peak 492 weight 0.10000E+01 volume 0.22965E-03 ppm1 3.793 ppm2 1.569 CV 1
OR { 492}
(( segid " " and resid 3 and name HA2 ))
(( segid " " and resid 2 and name HD2 ))
ASSI { 693}
(( segid " " and resid 14 and name HB1 ))
(( segid " " and resid 2 and name HD1 ))
4.200 2.200 1.800 peak 693 weight 0.10000E+01 volume 0.44683E-03 ppm1 2.785 ppm2 1.563 CV 1
OR { 693}
(( segid " " and resid 14 and name HB1 ))
(( segid " " and resid 2 and name HD2 ))
ASSI { 617}
(( segid " " and resid 14 and name HB2 ))
(( segid " " and resid 2 and name HD2 ))
4.500 2.500 1.500 peak 617 weight 0.10000E+01 volume 0.82252E-03 ppm1 2.610 ppm2 1.561 CV 1
OR { 617}
(( segid " " and resid 14 and name HB2 ))
(( segid " " and resid 2 and name HD1 ))
ASSI { 19}
(( segid " " and resid 2 and name HN ))
(( segid " " and resid 2 and name HD1 ))
3.200 1.300 1.300 peak 19 weight 0.10000E+01 volume 0.25586E-02 ppm1 9.247 ppm2 1.560 CV 1
OR { 19}
(( segid " " and resid 2 and name HN ))
(( segid " " and resid 2 and name HD2 ))
ASSI { 504}
(( segid " " and resid 8 and name HB2 ))
(( segid " " and resid 2 and name HD2 ))
4.100 2.100 1.900 peak 504 weight 0.10000E+01 volume 0.46681E-03 ppm1 3.404 ppm2 1.560 CV 1
OR { 504}
(( segid " " and resid 8 and name HB2 ))
(( segid " " and resid 2 and name HD1 ))
ASSI { 587}
(( segid " " and resid 1 and name HA ))
(( segid " " and resid 2 and name HD1 ))
3.600 1.700 1.700 peak 587 weight 0.10000E+01 volume 0.10035E-02 ppm1 4.623 ppm2 1.557 CV 1
OR { 587}
(( segid " " and resid 1 and name HA ))
(( segid " " and resid 2 and name HD2 ))
ASSI { 145}
(( segid " " and resid 19 and name HE ))
(( segid " " and resid 19 and name HG1 ))
4.600 2.700 1.400 peak 145 weight 0.10000E+01 volume 0.16849E-03 ppm1 7.166 ppm2 1.544 CV 1
ASSI { 907}
(( segid " " and resid 25 and name HD2 ))
(( segid " " and resid 25 and name HB1 ))
2.700 0.900 0.900 peak 907 weight 0.10000E+01 volume 0.17224E-02 ppm1 3.020 ppm2 1.502 CV 1
ASSI { 139}
(( segid " " and resid 25 and name HE ))
(( segid " " and resid 25 and name HB1 ))
3.900 1.900 1.900 peak 139 weight 0.10000E+01 volume 0.95978E-03 ppm1 7.223 ppm2 1.496 CV 1
ASSI { 597}
(( segid " " and resid 24 and name HA1 ))
(( segid " " and resid 10 and name HG1 ))
4.400 2.400 1.600 peak 597 weight 0.10000E+01 volume 0.35072E-03 ppm1 4.042 ppm2 1.494 CV 1
ASSI { 812}
(( segid " " and resid 25 and name HD1 ))
(( segid " " and resid 25 and name HB1 ))
3.600 1.600 1.600 peak 812 weight 0.10000E+01 volume 0.11645E-02 ppm1 3.103 ppm2 1.489 CV 1
ASSI { 604}
(( segid " " and resid 24 and name HA2 ))
(( segid " " and resid 10 and name HG1 ))
3.800 1.800 1.800 peak 604 weight 0.10000E+01 volume 0.39440E-03 ppm1 3.752 ppm2 1.489 CV 1
ASSI { 880}
(( segid " " and resid 25 and name HA ))
(( segid " " and resid 25 and name HB1 ))
2.400 0.700 0.700 peak 880 weight 0.10000E+01 volume 0.42436E-02 ppm1 5.291 ppm2 1.488 CV 1
ASSI { 370}
(( segid " " and resid 23 and name HB1 ))
(( segid " " and resid 25 and name HB1 ))
5.200 3.400 0.800 peak 370 weight 0.10000E+01 volume 0.18347E-03 ppm1 2.095 ppm2 1.488 CV 1
ASSI { 551}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 25 and name HB1 ))
3.100 1.200 1.200 peak 551 weight 0.10000E+01 volume 0.39690E-02 ppm1 7.096 ppm2 1.486 CV 1
ASSI { 934}
(( segid " " and resid 26 and name HN ))
(( segid " " and resid 25 and name HB1 ))
2.800 1.000 1.000 peak 934 weight 0.10000E+01 volume 0.28082E-02 ppm1 8.927 ppm2 1.484 CV 1
ASSI { 876}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 10 and name HG1 ))
2.600 0.900 0.900 peak 876 weight 0.10000E+01 volume 0.27708E-02 ppm1 8.709 ppm2 1.484 CV 1
ASSI { 674}
(( segid " " and resid 21 and name HA1 ))
(( segid " " and resid 25 and name HB1 ))
4.400 2.400 1.600 peak 674 weight 0.10000E+01 volume 0.44183E-03 ppm1 4.316 ppm2 1.481 CV 1
ASSI { 486}
(( segid " " and resid 9 and name HA ))
(( segid " " and resid 10 and name HG1 ))
5.000 3.100 1.000 peak 486 weight 0.10000E+01 volume 0.25462E-03 ppm1 4.455 ppm2 1.480 CV 1
ASSI { 1017}
(( segid " " and resid 4 and name HD2 ))
(( segid " " and resid 4 and name HG1 ))
2.700 0.900 0.900 peak 1017 weight 0.10000E+01 volume 0.35946E-02 ppm1 1.657 ppm2 1.479 CV 1
OR { 1017}
(( segid " " and resid 4 and name HD1 ))
(( segid " " and resid 4 and name HG1 ))
ASSI { 64}
(( segid " " and resid 26 and name H1 ))
(( segid " " and resid 4 and name HG1 ))
4.500 2.500 1.500 peak 64 weight 0.10000E+01 volume 0.24837E-03 ppm1 8.537 ppm2 1.469 CV 1
ASSI { 132}
(( segid " " and resid 26 and name H2 ))
(( segid " " and resid 4 and name HG1 ))
3.400 1.400 1.400 peak 132 weight 0.10000E+01 volume 0.65026E-03 ppm1 7.449 ppm2 1.465 CV 1
ASSI { 99}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 4 and name HG1 ))
4.400 2.400 1.600 peak 99 weight 0.10000E+01 volume 0.88993E-03 ppm1 8.147 ppm2 1.464 CV 1
ASSI { 988}
(( segid " " and resid 6 and name HA ))
( segid " " and resid 6 and name HB% )
2.300 0.600 0.600 peak 988 weight 0.10000E+01 volume 0.96353E-02 ppm1 4.653 ppm2 1.416 CV 1
ASSI { 319}
(( segid " " and resid 8 and name HB2 ))
(( segid " " and resid 2 and name HG1 ))
5.000 3.100 1.000 peak 319 weight 0.10000E+01 volume 0.24588E-03 ppm1 3.433 ppm2 1.416 CV 1
ASSI { 491}
(( segid " " and resid 3 and name HA2 ))
( segid " " and resid 6 and name HB% )
4.400 2.400 1.600 peak 491 weight 0.10000E+01 volume 0.72890E-03 ppm1 3.807 ppm2 1.415 CV 1
ASSI { 437}
(( segid " " and resid 6 and name HN ))
( segid " " and resid 6 and name HB% )
2.100 0.500 0.500 peak 437 weight 0.10000E+01 volume 0.18597E-01 ppm1 7.840 ppm2 1.415 CV 1
ASSI { 689}
(( segid " " and resid 8 and name HB1 ))
(( segid " " and resid 2 and name HG1 ))
4.300 2.300 1.700 peak 689 weight 0.10000E+01 volume 0.46431E-03 ppm1 2.885 ppm2 1.415 CV 1
ASSI { 367}
(( segid " " and resid 7 and name HG1 ))
( segid " " and resid 6 and name HB% )
5.000 3.200 1.000 peak 367 weight 0.10000E+01 volume 0.54545E-03 ppm1 2.162 ppm2 1.415 CV 1
ASSI { 898}
(( segid " " and resid 7 and name HD1 ))
( segid " " and resid 6 and name HB% )
3.400 1.400 1.400 peak 898 weight 0.10000E+01 volume 0.38941E-02 ppm1 3.949 ppm2 1.414 CV 1
ASSI { 292}
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 10 and name HG2 ))
3.900 1.900 1.900 peak 292 weight 0.10000E+01 volume 0.37818E-03 ppm1 4.088 ppm2 1.414 CV 1
ASSI { 11}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 2 and name HG1 ))
4.500 2.500 1.500 peak 11 weight 0.10000E+01 volume 0.40065E-03 ppm1 9.739 ppm2 1.414 CV 1
ASSI { 20}
(( segid " " and resid 2 and name HN ))
(( segid " " and resid 2 and name HG1 ))
2.500 0.800 0.800 peak 20 weight 0.10000E+01 volume 0.22466E-02 ppm1 9.247 ppm2 1.412 CV 1
ASSI { 618}
(( segid " " and resid 14 and name HB2 ))
(( segid " " and resid 2 and name HG1 ))
4.600 2.700 1.400 peak 618 weight 0.10000E+01 volume 0.62904E-03 ppm1 2.610 ppm2 1.412 CV 1
ASSI { 490}
(( segid " " and resid 3 and name HA1 ))
( segid " " and resid 6 and name HB% )
4.200 2.200 1.800 peak 490 weight 0.10000E+01 volume 0.32576E-03 ppm1 4.124 ppm2 1.411 CV 1
ASSI { 692}
(( segid " " and resid 14 and name HB1 ))
(( segid " " and resid 2 and name HG1 ))
3.200 1.300 1.300 peak 692 weight 0.10000E+01 volume 0.55664E-03 ppm1 2.791 ppm2 1.396 CV 1
ASSI { 933}
(( segid " " and resid 26 and name HN ))
(( segid " " and resid 25 and name HB2 ))
3.000 1.100 1.100 peak 933 weight 0.10000E+01 volume 0.46930E-02 ppm1 8.928 ppm2 1.366 CV 1
OR { 933}
(( segid " " and resid 26 and name HN ))
(( segid " " and resid 25 and name HG2 ))
ASSI { 881}
(( segid " " and resid 25 and name HA ))
(( segid " " and resid 25 and name HG2 ))
2.500 0.800 0.800 peak 881 weight 0.10000E+01 volume 0.55414E-02 ppm1 5.291 ppm2 1.359 CV 1
OR { 881}
(( segid " " and resid 25 and name HA ))
(( segid " " and resid 25 and name HB2 ))
OR { 881}
(( segid " " and resid 25 and name HA ))
(( segid " " and resid 25 and name HG1 ))
ASSI { 140}
(( segid " " and resid 25 and name HE ))
(( segid " " and resid 25 and name HG1 ))
3.700 1.700 1.700 peak 140 weight 0.10000E+01 volume 0.69520E-03 ppm1 7.223 ppm2 1.358 CV 1
OR { 140}
(( segid " " and resid 25 and name HE ))
(( segid " " and resid 25 and name HG2 ))
ASSI { 552}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 25 and name HB2 ))
3.100 1.200 1.200 peak 552 weight 0.10000E+01 volume 0.13355E-02 ppm1 7.113 ppm2 1.354 CV 1
OR { 552}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 25 and name HG2 ))
OR { 552}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 25 and name HG1 ))
ASSI { 690}
(( segid " " and resid 16 and name HB1 ))
(( segid " " and resid 17 and name HG2 ))
4.000 2.000 2.000 peak 690 weight 0.10000E+01 volume 0.57162E-03 ppm1 2.816 ppm2 1.345 CV 1
OR { 690}
(( segid " " and resid 16 and name HB1 ))
(( segid " " and resid 17 and name HG1 ))
ASSI { 925}
(( segid " " and resid 17 and name HB2 ))
(( segid " " and resid 17 and name HG1 ))
2.800 1.000 1.000 peak 925 weight 0.10000E+01 volume 0.27833E-02 ppm1 1.759 ppm2 1.344 CV 1
OR { 925}
(( segid " " and resid 17 and name HB1 ))
(( segid " " and resid 17 and name HG2 ))
OR { 925}
(( segid " " and resid 17 and name HB1 ))
(( segid " " and resid 17 and name HG1 ))
OR { 925}
(( segid " " and resid 17 and name HB2 ))
(( segid " " and resid 17 and name HG2 ))
ASSI { 295}
(( segid " " and resid 24 and name HA1 ))
(( segid " " and resid 25 and name HG2 ))
4.400 2.400 1.600 peak 295 weight 0.10000E+01 volume 0.25087E-03 ppm1 4.046 ppm2 1.344 CV 1
OR { 295}
(( segid " " and resid 24 and name HA1 ))
(( segid " " and resid 25 and name HG1 ))
OR { 295}
(( segid " " and resid 24 and name HA1 ))
(( segid " " and resid 25 and name HB2 ))
ASSI { 327}
(( segid " " and resid 16 and name HB2 ))
(( segid " " and resid 17 and name HG2 ))
4.600 2.700 1.400 peak 327 weight 0.10000E+01 volume 0.50925E-03 ppm1 3.247 ppm2 1.332 CV 1
OR { 327}
(( segid " " and resid 16 and name HB2 ))
(( segid " " and resid 17 and name HG1 ))
ASSI { 857}
(( segid " " and resid 25 and name HD1 ))
(( segid " " and resid 25 and name HG2 ))
3.000 1.100 1.100 peak 857 weight 0.10000E+01 volume 0.12855E-02 ppm1 3.109 ppm2 1.331 CV 1
OR { 857}
(( segid " " and resid 25 and name HD1 ))
(( segid " " and resid 25 and name HG1 ))
ASSI { 843}
(( segid " " and resid 7 and name HA ))
(( segid " " and resid 25 and name HG2 ))
3.300 1.300 1.300 peak 843 weight 0.10000E+01 volume 0.17474E-02 ppm1 4.934 ppm2 1.327 CV 1
OR { 843}
(( segid " " and resid 7 and name HA ))
(( segid " " and resid 25 and name HG1 ))
ASSI { 519}
(( segid " " and resid 7 and name HB1 ))
(( segid " " and resid 25 and name HG2 ))
4.800 2.900 1.200 peak 519 weight 0.10000E+01 volume 0.23340E-03 ppm1 2.373 ppm2 1.325 CV 1
OR { 519}
(( segid " " and resid 7 and name HB1 ))
(( segid " " and resid 25 and name HG1 ))
ASSI { 680}
(( segid " " and resid 4 and name HA ))
(( segid " " and resid 4 and name HG2 ))
3.000 1.200 1.200 peak 680 weight 0.10000E+01 volume 0.13230E-02 ppm1 3.689 ppm2 1.325 CV 1
ASSI { 371}
(( segid " " and resid 23 and name HB1 ))
(( segid " " and resid 25 and name HG1 ))
4.400 2.400 1.600 peak 371 weight 0.10000E+01 volume 0.15851E-03 ppm1 2.092 ppm2 1.324 CV 1
OR { 371}
(( segid " " and resid 23 and name HB1 ))
(( segid " " and resid 25 and name HG2 ))
ASSI { 135}
(( segid " " and resid 26 and name H2 ))
(( segid " " and resid 4 and name HG2 ))
4.300 2.300 1.700 peak 135 weight 0.10000E+01 volume 0.22965E-03 ppm1 7.448 ppm2 1.322 CV 1
ASSI { 120}
(( segid " " and resid 12 and name HN ))
( segid " " and resid 11 and name HG2%)
4.000 2.000 2.000 peak 120 weight 0.10000E+01 volume 0.69145E-03 ppm1 7.768 ppm2 1.175 CV 1
ASSI { 778}
(( segid " " and resid 11 and name HN ))
( segid " " and resid 11 and name HG2%)
3.600 1.600 1.600 peak 778 weight 0.10000E+01 volume 0.26585E-02 ppm1 7.914 ppm2 1.175 CV 1
ASSI { 487}
(( segid " " and resid 11 and name HA ))
( segid " " and resid 11 and name HG2%)
2.400 0.700 0.700 peak 487 weight 0.10000E+01 volume 0.99099E-02 ppm1 4.123 ppm2 1.175 CV 1
ASSI { 279}
(( segid " " and resid 12 and name HA ))
( segid " " and resid 11 and name HG2%)
4.800 2.900 1.200 peak 279 weight 0.10000E+01 volume 0.24588E-03 ppm1 4.462 ppm2 1.174 CV 1
ASSI { 302}
(( segid " " and resid 10 and name HA ))
( segid " " and resid 11 and name HG2%)
4.700 2.800 1.300 peak 302 weight 0.10000E+01 volume 0.49302E-03 ppm1 3.971 ppm2 1.174 CV 1
ASSI { 50}
(( segid " " and resid 10 and name HN ))
( segid " " and resid 11 and name HG2%)
4.500 2.600 1.500 peak 50 weight 0.10000E+01 volume 0.52423E-03 ppm1 8.709 ppm2 1.174 CV 1
ASSI { 393}
(( segid " " and resid 9 and name HG1 ))
( segid " " and resid 11 and name HG2%)
4.800 2.900 1.200 peak 393 weight 0.10000E+01 volume 0.38193E-03 ppm1 1.677 ppm2 1.173 CV 1
OR { 393}
(( segid " " and resid 9 and name HG2 ))
( segid " " and resid 11 and name HG2%)
ASSI { 1140}
(( segid " " and resid 2 and name HN ))
(( segid " " and resid 14 and name HN ))
5.700 4.100 0.300 peak 1140 weight 0.10000E+01 volume 0.14228E-03 ppm1 9.244 ppm2 8.205 CV 1
ASSI { 1141}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 26 and name H1 ))
4.300 2.300 1.700 peak 1141 weight 0.10000E+01 volume 0.47555E-03 ppm1 8.904 ppm2 8.542 CV 1
ASSI { 1147}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 14 and name HN ))
4.700 2.800 1.300 peak 1147 weight 0.10000E+01 volume 0.18847E-03 ppm1 8.772 ppm2 8.209 CV 1
ASSI { 1148}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 14 and name HN ))
5.000 3.200 1.000 peak 1148 weight 0.10000E+01 volume 0.17598E-03 ppm1 8.815 ppm2 8.211 CV 1
ASSI { 1150}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 12 and name HN ))
4.800 2.900 1.200 peak 1150 weight 0.10000E+01 volume 0.13854E-03 ppm1 8.773 ppm2 7.770 CV 1
ASSI { 1151}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 11 and name HN ))
5.000 3.100 1.000 peak 1151 weight 0.10000E+01 volume 0.13480E-03 ppm1 8.806 ppm2 7.925 CV 1
ASSI { 1152}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 21 and name HN ))
4.100 2.100 1.900 peak 1152 weight 0.10000E+01 volume 0.12481E-02 ppm1 8.684 ppm2 7.935 CV 1
ASSI { 1160}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 17 and name HD1 ))
5.300 3.500 0.700 peak 1160 weight 0.10000E+01 volume 0.16226E-03 ppm1 9.739 ppm2 1.632 CV 1
OR { 1160}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 17 and name HD2 ))
ASSI { 1161}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 17 and name HG2 ))
4.800 2.900 1.200 peak 1161 weight 0.10000E+01 volume 0.24837E-03 ppm1 9.737 ppm2 1.342 CV 1
OR { 1161}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 17 and name HG1 ))
ASSI { 1163}
(( segid " " and resid 13 and name HN ))
( segid " " and resid 11 and name HG2%)
3.800 1.800 1.800 peak 1163 weight 0.10000E+01 volume 0.14353E-03 ppm1 8.261 ppm2 1.174 CV 1
ASSI { 1165}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 4 and name HG1 ))
3.500 1.500 1.500 peak 1165 weight 0.10000E+01 volume 0.15726E-02 ppm1 8.902 ppm2 1.461 CV 1
ASSI { 1166}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 4 and name HG2 ))
2.800 1.000 1.000 peak 1166 weight 0.10000E+01 volume 0.18971E-02 ppm1 8.902 ppm2 1.324 CV 1
ASSI { 1167}
(( segid " " and resid 26 and name HN ))
(( segid " " and resid 2 and name HB2 ))
4.500 2.500 1.500 peak 1167 weight 0.10000E+01 volume 0.18847E-03 ppm1 8.928 ppm2 1.887 CV 1
OR { 1167}
(( segid " " and resid 26 and name HN ))
(( segid " " and resid 2 and name HB1 ))
ASSI { 1168}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 2 and name HB1 ))
4.700 2.800 1.300 peak 1168 weight 0.10000E+01 volume 0.41063E-03 ppm1 8.805 ppm2 1.904 CV 1
ASSI { 1169}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 9 and name HB1 ))
3.100 1.200 1.200 peak 1169 weight 0.10000E+01 volume 0.17224E-02 ppm1 8.801 ppm2 1.808 CV 1
OR { 1169}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 9 and name HB2 ))
ASSI { 1170}
(( segid " " and resid 3 and name HN ))
(( segid " " and resid 2 and name HG2 ))
5.300 3.500 0.700 peak 1170 weight 0.10000E+01 volume 0.34074E-03 ppm1 8.858 ppm2 1.695 CV 1
ASSI { 1171}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 19 and name HB1 ))
3.000 1.100 1.100 peak 1171 weight 0.10000E+01 volume 0.20719E-02 ppm1 8.770 ppm2 1.658 CV 1
ASSI { 1172}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 19 and name HG1 ))
4.100 2.200 1.900 peak 1172 weight 0.10000E+01 volume 0.92358E-03 ppm1 8.770 ppm2 1.563 CV 1
ASSI { 1173}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 10 and name HG2 ))
3.500 1.600 1.600 peak 1173 weight 0.10000E+01 volume 0.15102E-02 ppm1 8.709 ppm2 1.397 CV 1
ASSI { 1174}
(( segid " " and resid 26 and name H1 ))
(( segid " " and resid 4 and name HG2 ))
5.300 3.500 0.700 peak 1174 weight 0.10000E+01 volume 0.13105E-03 ppm1 8.537 ppm2 1.326 CV 1
ASSI { 1178}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 19 and name HG1 ))
3.200 1.300 1.300 peak 1178 weight 0.10000E+01 volume 0.27458E-02 ppm1 8.404 ppm2 1.541 CV 1
ASSI { 1179}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 25 and name HB1 ))
5.300 3.500 0.700 peak 1179 weight 0.10000E+01 volume 0.27583E-03 ppm1 8.440 ppm2 1.494 CV 1
ASSI { 1181}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 17 and name HG2 ))
3.700 1.700 1.700 peak 1181 weight 0.10000E+01 volume 0.69769E-03 ppm1 8.406 ppm2 1.338 CV 1
OR { 1181}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 17 and name HG1 ))
ASSI { 1182}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 17 and name HG2 ))
3.200 1.300 1.300 peak 1182 weight 0.10000E+01 volume 0.47180E-03 ppm1 8.470 ppm2 1.335 CV 1
OR { 1182}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 17 and name HG1 ))
ASSI { 1187}
(( segid " " and resid 23 and name HE ))
(( segid " " and resid 23 and name HB2 ))
5.300 3.500 0.700 peak 1187 weight 0.10000E+01 volume 0.10035E-03 ppm1 7.218 ppm2 1.749 CV 1
ASSI { 1190}
( segid " " and resid 13 and name HD% )
(( segid " " and resid 12 and name HG1 ))
5.700 4.100 0.300 peak 1190 weight 0.10000E+01 volume 0.11570E-03 ppm1 7.109 ppm2 2.318 CV 1
OR { 1190}
( segid " " and resid 13 and name HD% )
(( segid " " and resid 12 and name HG2 ))
ASSI { 1191}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 12 and name HG2 ))
6.000 4.600 0.000 peak 1191 weight 0.10000E+01 volume 0.12132E-03 ppm1 7.909 ppm2 2.305 CV 1
OR { 1191}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 12 and name HG1 ))
ASSI { 1192}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 7 and name HG1 ))
6.000 4.400 0.000 peak 1192 weight 0.10000E+01 volume 0.14603E-03 ppm1 8.449 ppm2 2.173 CV 1
ASSI { 1194}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 15 and name HB2 ))
4.700 2.800 1.300 peak 1194 weight 0.10000E+01 volume 0.26086E-03 ppm1 8.470 ppm2 2.706 CV 1
ASSI { 1195}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 8 and name HB1 ))
3.000 1.100 1.100 peak 1195 weight 0.10000E+01 volume 0.15726E-02 ppm1 8.438 ppm2 2.903 CV 1
ASSI { 1197}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 12 and name HG2 ))
5.400 3.600 0.600 peak 1197 weight 0.10000E+01 volume 0.13230E-03 ppm1 8.816 ppm2 2.338 CV 1
ASSI { 1198}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 14 and name HB1 ))
4.000 2.000 2.000 peak 1198 weight 0.10000E+01 volume 0.76135E-03 ppm1 8.806 ppm2 2.800 CV 1
ASSI { 1200}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 2 and name HE1 ))
3.700 1.700 1.700 peak 1200 weight 0.10000E+01 volume 0.29955E-03 ppm1 8.806 ppm2 3.075 CV 1
OR { 1200}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 2 and name HE2 ))
ASSI { 1201}
(( segid " " and resid 25 and name HE ))
(( segid " " and resid 25 and name HD1 ))
3.400 1.500 1.500 peak 1201 weight 0.10000E+01 volume 0.76884E-03 ppm1 7.220 ppm2 3.117 CV 1
ASSI { 1202}
(( segid " " and resid 25 and name HE ))
(( segid " " and resid 5 and name HA2 ))
4.700 2.700 1.300 peak 1202 weight 0.10000E+01 volume 0.11807E-03 ppm1 7.223 ppm2 3.604 CV 1
ASSI { 1203}
(( segid " " and resid 9 and name HE ))
(( segid " " and resid 9 and name HD1 ))
3.100 1.200 1.200 peak 1203 weight 0.10000E+01 volume 0.12481E-02 ppm1 7.515 ppm2 3.229 CV 1
ASSI { 1204}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 15 and name HB1 ))
4.200 2.200 1.800 peak 1204 weight 0.10000E+01 volume 0.24713E-03 ppm1 8.473 ppm2 3.125 CV 1
ASSI { 1208}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 24 and name HA2 ))
3.800 1.800 1.800 peak 1208 weight 0.10000E+01 volume 0.51050E-03 ppm1 8.438 ppm2 3.744 CV 1
ASSI { 1209}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 8 and name HB2 ))
4.000 2.000 2.000 peak 1209 weight 0.10000E+01 volume 0.37444E-03 ppm1 8.771 ppm2 3.418 CV 1
ASSI { 1210}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 26 and name HB1 ))
2.800 0.900 0.900 peak 1210 weight 0.10000E+01 volume 0.48928E-02 ppm1 8.900 ppm2 3.172 CV 1
OR { 1210}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 26 and name HB2 ))
ASSI { 1211}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 9 and name HD2 ))
5.800 4.300 0.200 peak 1211 weight 0.10000E+01 volume 0.13105E-03 ppm1 8.705 ppm2 3.207 CV 1
OR { 1211}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 9 and name HD1 ))
ASSI { 1214}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 21 and name HA2 ))
4.800 2.900 1.200 peak 1214 weight 0.10000E+01 volume 0.56787E-03 ppm1 7.107 ppm2 4.125 CV 1
ASSI { 1215}
(( segid " " and resid 25 and name HE ))
(( segid " " and resid 7 and name HD1 ))
4.600 2.700 1.400 peak 1215 weight 0.10000E+01 volume 0.11196E-03 ppm1 7.223 ppm2 3.952 CV 1
ASSI { 1216}
(( segid " " and resid 6 and name HN ))
(( segid " " and resid 3 and name HA1 ))
4.600 2.700 1.400 peak 1216 weight 0.10000E+01 volume 0.17723E-03 ppm1 7.837 ppm2 4.119 CV 1
ASSI { 1217}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 11 and name HB ))
3.000 1.100 1.100 peak 1217 weight 0.10000E+01 volume 0.15227E-02 ppm1 7.912 ppm2 4.379 CV 1
ASSI { 1219}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 24 and name HA1 ))
4.000 2.000 2.000 peak 1219 weight 0.10000E+01 volume 0.47804E-03 ppm1 8.436 ppm2 4.019 CV 1
ASSI { 1220}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 20 and name HA ))
3.000 1.100 1.100 peak 1220 weight 0.10000E+01 volume 0.18098E-02 ppm1 8.771 ppm2 4.629 CV 1
ASSI { 1221}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 10 and name HA ))
5.000 3.100 1.000 peak 1221 weight 0.10000E+01 volume 0.11021E-03 ppm1 8.816 ppm2 3.983 CV 1
ASSI { 1225}
(( segid " " and resid 15 and name HB2 ))
(( segid " " and resid 2 and name HN ))
5.500 3.700 0.500 peak 1225 weight 0.10000E+01 volume 0.15976E-03 ppm1 2.697 ppm2 9.251 CV 1
ASSI { 1228}
(( segid " " and resid 8 and name HA ))
(( segid " " and resid 8 and name HN ))
2.900 1.000 1.000 peak 1228 weight 0.10000E+01 volume 0.22341E-02 ppm1 4.970 ppm2 8.444 CV 1
ASSI { 1231}
(( segid " " and resid 13 and name HA ))
(( segid " " and resid 13 and name HN ))
2.500 0.800 0.800 peak 1231 weight 0.10000E+01 volume 0.33824E-02 ppm1 4.705 ppm2 8.256 CV 1
ASSI { 1233}
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 22 and name HN ))
2.600 0.900 0.900 peak 1233 weight 0.10000E+01 volume 0.44059E-02 ppm1 4.079 ppm2 8.689 CV 1
ASSI { 1236}
(( segid " " and resid 7 and name HD2 ))
(( segid " " and resid 8 and name HN ))
5.300 3.500 0.700 peak 1236 weight 0.10000E+01 volume 0.11995E-03 ppm1 3.654 ppm2 8.443 CV 1
ASSI { 1237}
(( segid " " and resid 7 and name HD1 ))
(( segid " " and resid 8 and name HN ))
5.400 3.700 0.600 peak 1237 weight 0.10000E+01 volume 0.13854E-03 ppm1 3.945 ppm2 8.441 CV 1
ASSI { 1243}
(( segid " " and resid 25 and name HD1 ))
(( segid " " and resid 26 and name HN ))
3.600 1.700 1.700 peak 1243 weight 0.10000E+01 volume 0.20719E-02 ppm1 3.115 ppm2 8.930 CV 1
ASSI { 1244}
(( segid " " and resid 15 and name HB1 ))
(( segid " " and resid 26 and name H1 ))
4.300 2.300 1.700 peak 1244 weight 0.10000E+01 volume 0.22591E-03 ppm1 3.116 ppm2 8.543 CV 1
ASSI { 1245}
(( segid " " and resid 13 and name HB1 ))
(( segid " " and resid 14 and name HN ))
4.100 2.100 1.900 peak 1245 weight 0.10000E+01 volume 0.10896E-02 ppm1 3.295 ppm2 8.202 CV 1
ASSI { 1248}
(( segid " " and resid 13 and name HB2 ))
(( segid " " and resid 14 and name HN ))
3.900 1.900 1.900 peak 1248 weight 0.10000E+01 volume 0.96353E-03 ppm1 2.896 ppm2 8.200 CV 1
ASSI { 1251}
(( segid " " and resid 17 and name HD2 ))
(( segid " " and resid 18 and name HN ))
3.800 1.800 1.800 peak 1251 weight 0.10000E+01 volume 0.14977E-03 ppm1 1.624 ppm2 8.500 CV 1
OR { 1251}
(( segid " " and resid 17 and name HD1 ))
(( segid " " and resid 18 and name HN ))
ASSI { 1255}
(( segid " " and resid 10 and name HG1 ))
(( segid " " and resid 24 and name HN ))
5.500 3.700 0.500 peak 1255 weight 0.10000E+01 volume 0.10497E-03 ppm1 1.466 ppm2 8.252 CV 1
ASSI { 1257}
(( segid " " and resid 2 and name HG2 ))
(( segid " " and resid 9 and name HN ))
3.500 1.500 1.500 peak 1257 weight 0.10000E+01 volume 0.13480E-02 ppm1 1.715 ppm2 8.812 CV 1
ASSI { 1264}
(( segid " " and resid 25 and name HG2 ))
(( segid " " and resid 26 and name HN ))
3.800 1.800 1.800 peak 1264 weight 0.10000E+01 volume 0.20219E-02 ppm1 1.356 ppm2 8.932 CV 1
OR { 1264}
(( segid " " and resid 25 and name HG1 ))
(( segid " " and resid 26 and name HN ))
ASSI { 1269}
(( segid " " and resid 25 and name HA ))
(( segid " " and resid 21 and name HN ))
4.600 2.600 1.400 peak 1269 weight 0.10000E+01 volume 0.17848E-03 ppm1 5.294 ppm2 7.933 CV 1
ASSI { 1272}
(( segid " " and resid 21 and name HA2 ))
(( segid " " and resid 21 and name HN ))
2.700 0.900 0.900 peak 1272 weight 0.10000E+01 volume 0.54670E-02 ppm1 4.100 ppm2 7.933 CV 1
ASSI { 1278}
(( segid " " and resid 7 and name HD2 ))
(( segid " " and resid 6 and name HN ))
6.000 4.500 0.000 peak 1278 weight 0.10000E+01 volume 0.15102E-03 ppm1 3.645 ppm2 7.838 CV 1
ASSI { 1281}
(( segid " " and resid 21 and name HA1 ))
(( segid " " and resid 25 and name HN ))
4.400 2.400 1.600 peak 1281 weight 0.10000E+01 volume 0.15352E-03 ppm1 4.315 ppm2 7.106 CV 1
ASSI { 1285}
(( segid " " and resid 25 and name HD1 ))
(( segid " " and resid 6 and name HN ))
3.900 1.900 1.900 peak 1285 weight 0.10000E+01 volume 0.79381E-03 ppm1 3.118 ppm2 7.845 CV 1
ASSI { 1287}
(( segid " " and resid 15 and name HB1 ))
(( segid " " and resid 26 and name H2 ))
5.200 3.300 0.800 peak 1287 weight 0.10000E+01 volume 0.26335E-03 ppm1 3.125 ppm2 7.453 CV 1
ASSI { 1291}
(( segid " " and resid 12 and name HB2 ))
( segid " " and resid 13 and name HD% )
5.200 3.400 0.800 peak 1291 weight 0.10000E+01 volume 0.19845E-03 ppm1 1.902 ppm2 7.126 CV 1
OR { 1291}
(( segid " " and resid 12 and name HB1 ))
( segid " " and resid 13 and name HD% )
ASSI { 1293}
(( segid " " and resid 2 and name HG2 ))
(( segid " " and resid 9 and name HE ))
4.600 2.700 1.400 peak 1293 weight 0.10000E+01 volume 0.41313E-03 ppm1 1.720 ppm2 7.518 CV 1
ASSI { 1300}
(( segid " " and resid 25 and name HB2 ))
(( segid " " and resid 25 and name HN ))
3.200 1.300 1.300 peak 1300 weight 0.10000E+01 volume 0.91240E-03 ppm1 1.373 ppm2 7.107 CV 1
ASSI { 1302}
(( segid " " and resid 12 and name HG1 ))
(( segid " " and resid 9 and name HH21))
4.600 2.700 1.400 peak 1302 weight 0.10000E+01 volume 0.14353E-03 ppm1 2.286 ppm2 6.816 CV 1
OR { 1302}
(( segid " " and resid 12 and name HG1 ))
(( segid " " and resid 9 and name HH22))
ASSI { 1306}
(( segid " " and resid 24 and name HA2 ))
(( segid " " and resid 25 and name HA ))
4.500 2.500 1.500 peak 1306 weight 0.10000E+01 volume 0.21093E-03 ppm1 3.752 ppm2 5.296 CV 1
ASSI { 1308}
(( segid " " and resid 8 and name HB2 ))
(( segid " " and resid 25 and name HA ))
5.600 4.000 0.400 peak 1308 weight 0.10000E+01 volume 0.15477E-03 ppm1 3.402 ppm2 5.297 CV 1
ASSI { 1309}
(( segid " " and resid 1 and name HB1 ))
(( segid " " and resid 2 and name HA ))
5.000 3.200 1.000 peak 1309 weight 0.10000E+01 volume 0.17848E-03 ppm1 3.104 ppm2 4.539 CV 1
ASSI { 1313}
(( segid " " and resid 14 and name HB1 ))
(( segid " " and resid 15 and name HA ))
3.500 1.600 1.600 peak 1313 weight 0.10000E+01 volume 0.80255E-03 ppm1 2.785 ppm2 4.955 CV 1
ASSI { 1314}
(( segid " " and resid 14 and name HB2 ))
(( segid " " and resid 15 and name HA ))
4.000 2.000 2.000 peak 1314 weight 0.10000E+01 volume 0.74513E-03 ppm1 2.609 ppm2 4.961 CV 1
ASSI { 1316}
(( segid " " and resid 14 and name HB2 ))
(( segid " " and resid 11 and name HB ))
3.900 1.900 1.900 peak 1316 weight 0.10000E+01 volume 0.11982E-03 ppm1 2.612 ppm2 4.376 CV 1
ASSI { 1320}
(( segid " " and resid 25 and name HB2 ))
(( segid " " and resid 25 and name HA ))
2.900 1.000 1.000 peak 1320 weight 0.10000E+01 volume 0.30829E-02 ppm1 1.371 ppm2 5.296 CV 1
ASSI { 1321}
(( segid " " and resid 25 and name HB1 ))
(( segid " " and resid 7 and name HA ))
4.800 2.900 1.200 peak 1321 weight 0.10000E+01 volume 0.29955E-03 ppm1 1.490 ppm2 4.934 CV 1
ASSI { 1325}
(( segid " " and resid 23 and name HG2 ))
(( segid " " and resid 23 and name HA ))
3.200 1.300 1.300 peak 1325 weight 0.10000E+01 volume 0.13979E-02 ppm1 1.604 ppm2 4.452 CV 1
OR { 1325}
(( segid " " and resid 23 and name HG1 ))
(( segid " " and resid 23 and name HA ))
ASSI { 1329}
(( segid " " and resid 2 and name HB2 ))
(( segid " " and resid 15 and name HA ))
2.700 0.900 0.900 peak 1329 weight 0.10000E+01 volume 0.16849E-02 ppm1 1.854 ppm2 4.931 CV 1
ASSI { 1332}
(( segid " " and resid 4 and name HB1 ))
(( segid " " and resid 3 and name HA1 ))
5.100 3.300 0.900 peak 1332 weight 0.10000E+01 volume 0.26959E-03 ppm1 1.779 ppm2 4.113 CV 1
ASSI { 1333}
(( segid " " and resid 12 and name HG2 ))
(( segid " " and resid 12 and name HA ))
4.000 2.000 2.000 peak 1333 weight 0.10000E+01 volume 0.94980E-03 ppm1 2.324 ppm2 4.466 CV 1
ASSI { 1338}
(( segid " " and resid 10 and name HG2 ))
(( segid " " and resid 10 and name HA ))
3.200 1.300 1.300 peak 1338 weight 0.10000E+01 volume 0.12606E-02 ppm1 1.381 ppm2 3.977 CV 1
ASSI { 1343}
(( segid " " and resid 4 and name HA ))
(( segid " " and resid 3 and name HA1 ))
5.100 3.200 0.900 peak 1343 weight 0.10000E+01 volume 0.19471E-03 ppm1 3.696 ppm2 4.130 CV 1
ASSI { 1346}
(( segid " " and resid 11 and name HB ))
(( segid " " and resid 11 and name HA ))
2.400 0.700 0.700 peak 1346 weight 0.10000E+01 volume 0.87120E-02 ppm1 4.378 ppm2 4.129 CV 1
ASSI { 1348}
(( segid " " and resid 4 and name HG2 ))
(( segid " " and resid 5 and name HA2 ))
3.700 1.700 1.700 peak 1348 weight 0.10000E+01 volume 0.80130E-03 ppm1 1.318 ppm2 3.599 CV 1
ASSI { 1351}
(( segid " " and resid 25 and name HD1 ))
(( segid " " and resid 5 and name HA2 ))
5.400 3.600 0.600 peak 1351 weight 0.10000E+01 volume 0.11608E-03 ppm1 3.117 ppm2 3.614 CV 1
ASSI { 1354}
(( segid " " and resid 12 and name HG1 ))
(( segid " " and resid 9 and name HD2 ))
5.000 3.200 1.000 peak 1354 weight 0.10000E+01 volume 0.10921E-03 ppm1 2.288 ppm2 3.175 CV 1
OR { 1354}
(( segid " " and resid 12 and name HG1 ))
(( segid " " and resid 9 and name HD1 ))
ASSI { 1355}
(( segid " " and resid 3 and name HA1 ))
(( segid " " and resid 3 and name HA2 ))
1.800 0.400 0.400 peak 1355 weight 0.10000E+01 volume 0.16849E-01 ppm1 4.126 ppm2 3.799 CV 1
ASSI { 1356}
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 22 and name HD1 ))
4.200 2.200 1.800 peak 1356 weight 0.10000E+01 volume 0.71767E-03 ppm1 4.068 ppm2 3.236 CV 1
OR { 1356}
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 22 and name HD2 ))
ASSI { 1358}
(( segid " " and resid 24 and name HA1 ))
(( segid " " and resid 25 and name HD1 ))
4.300 2.300 1.700 peak 1358 weight 0.10000E+01 volume 0.28831E-03 ppm1 4.046 ppm2 3.125 CV 1
ASSI { 1364}
(( segid " " and resid 2 and name HB2 ))
(( segid " " and resid 8 and name HB1 ))
4.300 2.300 1.700 peak 1364 weight 0.10000E+01 volume 0.16475E-03 ppm1 1.853 ppm2 2.904 CV 1
ASSI { 1365}
(( segid " " and resid 8 and name HA ))
(( segid " " and resid 2 and name HD2 ))
3.400 1.400 1.400 peak 1365 weight 0.10000E+01 volume 0.82377E-03 ppm1 4.966 ppm2 1.563 CV 1
OR { 1365}
(( segid " " and resid 8 and name HA ))
(( segid " " and resid 2 and name HD1 ))
ASSI { 1366}
(( segid " " and resid 8 and name HA ))
(( segid " " and resid 2 and name HG1 ))
4.200 2.200 1.800 peak 1366 weight 0.10000E+01 volume 0.54670E-03 ppm1 4.970 ppm2 1.417 CV 1
ASSI { 1368}
(( segid " " and resid 17 and name HA ))
(( segid " " and resid 17 and name HG1 ))
3.500 1.500 1.500 peak 1368 weight 0.10000E+01 volume 0.10646E-02 ppm1 4.517 ppm2 1.319 CV 1
OR { 1368}
(( segid " " and resid 17 and name HA ))
(( segid " " and resid 17 and name HG2 ))
ASSI { 1370}
(( segid " " and resid 2 and name HA ))
(( segid " " and resid 2 and name HB2 ))
2.800 1.000 1.000 peak 1370 weight 0.10000E+01 volume 0.45930E-02 ppm1 4.528 ppm2 1.852 CV 1
ASSI { 1371}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 17 and name HG2 ))
4.900 3.000 1.100 peak 1371 weight 0.10000E+01 volume 0.23590E-03 ppm1 4.425 ppm2 1.358 CV 1
OR { 1371}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 17 and name HG1 ))
ASSI { 1372}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 17 and name HD2 ))
3.100 1.200 1.200 peak 1372 weight 0.10000E+01 volume 0.32076E-02 ppm1 4.448 ppm2 1.600 CV 1
OR { 1372}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 17 and name HD1 ))
ASSI { 1377}
(( segid " " and resid 10 and name HA ))
(( segid " " and resid 10 and name HG1 ))
3.500 1.500 1.500 peak 1377 weight 0.10000E+01 volume 0.10035E-02 ppm1 3.969 ppm2 1.483 CV 1
ASSI { 1378}
(( segid " " and resid 18 and name HA1 ))
(( segid " " and resid 19 and name HG1 ))
5.300 3.500 0.700 peak 1378 weight 0.10000E+01 volume 0.21717E-03 ppm1 4.086 ppm2 1.565 CV 1
ASSI { 1379}
(( segid " " and resid 3 and name HA2 ))
(( segid " " and resid 2 and name HB2 ))
4.900 2.900 1.100 peak 1379 weight 0.10000E+01 volume 0.16849E-03 ppm1 3.805 ppm2 1.848 CV 1
ASSI { 1380}
(( segid " " and resid 18 and name HA2 ))
(( segid " " and resid 19 and name HG1 ))
4.400 2.400 1.600 peak 1380 weight 0.10000E+01 volume 0.29830E-03 ppm1 3.822 ppm2 1.549 CV 1
ASSI { 1381}
(( segid " " and resid 18 and name HA2 ))
(( segid " " and resid 19 and name HG2 ))
4.400 2.500 1.600 peak 1381 weight 0.10000E+01 volume 0.25836E-03 ppm1 3.821 ppm2 1.638 CV 1
OR { 1381}
(( segid " " and resid 18 and name HA2 ))
(( segid " " and resid 19 and name HB1 ))
ASSI { 1383}
(( segid " " and resid 4 and name HA ))
(( segid " " and resid 4 and name HG1 ))
2.800 1.000 1.000 peak 1383 weight 0.10000E+01 volume 0.28707E-02 ppm1 3.688 ppm2 1.468 CV 1
ASSI { 1385}
(( segid " " and resid 1 and name HB2 ))
(( segid " " and resid 2 and name HG1 ))
6.000 4.800 0.000 peak 1385 weight 0.10000E+01 volume 0.14977E-03 ppm1 3.283 ppm2 1.409 CV 1
ASSI { 1386}
(( segid " " and resid 13 and name HB1 ))
(( segid " " and resid 19 and name HG1 ))
4.400 2.400 1.600 peak 1386 weight 0.10000E+01 volume 0.17723E-03 ppm1 3.286 ppm2 1.558 CV 1
ASSI { 1387}
(( segid " " and resid 9 and name HD2 ))
( segid " " and resid 11 and name HG2%)
5.300 3.500 0.700 peak 1387 weight 0.10000E+01 volume 0.12731E-03 ppm1 3.177 ppm2 1.172 CV 1
ASSI { 1388}
(( segid " " and resid 2 and name HE1 ))
( segid " " and resid 11 and name HG2%)
5.800 4.100 0.200 peak 1388 weight 0.10000E+01 volume 0.10759E-03 ppm1 3.051 ppm2 1.176 CV 1
OR { 1388}
(( segid " " and resid 2 and name HE2 ))
( segid " " and resid 11 and name HG2%)
ASSI { 1389}
(( segid " " and resid 26 and name HB1 ))
(( segid " " and resid 4 and name HG2 ))
3.500 1.500 1.500 peak 1389 weight 0.10000E+01 volume 0.14478E-02 ppm1 3.161 ppm2 1.343 CV 1
OR { 1389}
(( segid " " and resid 26 and name HB2 ))
(( segid " " and resid 4 and name HG2 ))
ASSI { 1390}
(( segid " " and resid 25 and name HD2 ))
(( segid " " and resid 7 and name HB2 ))
5.600 4.000 0.400 peak 1390 weight 0.10000E+01 volume 0.18472E-03 ppm1 3.022 ppm2 1.905 CV 1
ASSI { 1391}
(( segid " " and resid 26 and name HB2 ))
(( segid " " and resid 2 and name HB2 ))
3.800 1.800 1.800 peak 1391 weight 0.10000E+01 volume 0.45681E-03 ppm1 3.151 ppm2 1.871 CV 1
OR { 1391}
(( segid " " and resid 26 and name HB1 ))
(( segid " " and resid 2 and name HB2 ))
OR { 1391}
(( segid " " and resid 26 and name HB1 ))
(( segid " " and resid 2 and name HB1 ))
ASSI { 1393}
(( segid " " and resid 8 and name HB1 ))
(( segid " " and resid 2 and name HD2 ))
3.800 1.800 1.800 peak 1393 weight 0.10000E+01 volume 0.61531E-03 ppm1 2.911 ppm2 1.562 CV 1
OR { 1393}
(( segid " " and resid 8 and name HB1 ))
(( segid " " and resid 2 and name HD1 ))
ASSI { 1396}
(( segid " " and resid 15 and name HB2 ))
(( segid " " and resid 2 and name HB2 ))
5.400 3.600 0.600 peak 1396 weight 0.10000E+01 volume 0.13729E-03 ppm1 2.698 ppm2 1.869 CV 1
OR { 1396}
(( segid " " and resid 15 and name HB2 ))
(( segid " " and resid 2 and name HB1 ))
ASSI { 1397}
(( segid " " and resid 15 and name HB2 ))
(( segid " " and resid 19 and name HB1 ))
5.700 4.100 0.300 peak 1397 weight 0.10000E+01 volume 0.10584E-03 ppm1 2.701 ppm2 1.631 CV 1
OR { 1397}
(( segid " " and resid 15 and name HB2 ))
(( segid " " and resid 19 and name HG2 ))
ASSI { 1398}
(( segid " " and resid 14 and name HB2 ))
( segid " " and resid 11 and name HG2%)
3.800 1.800 1.800 peak 1398 weight 0.10000E+01 volume 0.15352E-03 ppm1 2.610 ppm2 1.174 CV 1
ASSI { 1400}
(( segid " " and resid 7 and name HB1 ))
(( segid " " and resid 25 and name HB1 ))
6.000 4.500 0.000 peak 1400 weight 0.10000E+01 volume 0.13979E-03 ppm1 2.377 ppm2 1.489 CV 1
ASSI { 1401}
(( segid " " and resid 12 and name HG1 ))
( segid " " and resid 11 and name HG2%)
4.400 2.400 1.600 peak 1401 weight 0.10000E+01 volume 0.17598E-03 ppm1 2.273 ppm2 1.173 CV 1
ASSI { 1402}
(( segid " " and resid 12 and name HG2 ))
( segid " " and resid 11 and name HG2%)
5.800 4.200 0.200 peak 1402 weight 0.10000E+01 volume 0.12980E-03 ppm1 2.329 ppm2 1.171 CV 1
ASSI { 1403}
(( segid " " and resid 12 and name HG1 ))
(( segid " " and resid 9 and name HG1 ))
3.700 1.700 1.700 peak 1403 weight 0.10000E+01 volume 0.75761E-03 ppm1 2.280 ppm2 1.685 CV 1
OR { 1403}
(( segid " " and resid 12 and name HG1 ))
(( segid " " and resid 9 and name HG2 ))
ASSI { 1407}
(( segid " " and resid 9 and name HB2 ))
( segid " " and resid 11 and name HG2%)
4.200 2.200 1.800 peak 1407 weight 0.10000E+01 volume 0.85997E-03 ppm1 1.804 ppm2 1.175 CV 1
OR { 1407}
(( segid " " and resid 9 and name HB1 ))
( segid " " and resid 11 and name HG2%)
ASSI { 1409}
(( segid " " and resid 2 and name HD2 ))
(( segid " " and resid 2 and name HG1 ))
2.100 0.500 0.500 peak 1409 weight 0.10000E+01 volume 0.12606E-01 ppm1 1.553 ppm2 1.414 CV 1
OR { 1409}
(( segid " " and resid 2 and name HD1 ))
(( segid " " and resid 2 and name HG1 ))
ASSI { 1414}
(( segid " " and resid 23 and name HB1 ))
(( segid " " and resid 23 and name HG2 ))
2.900 1.000 1.000 peak 1414 weight 0.10000E+01 volume 0.25462E-02 ppm1 2.083 ppm2 1.614 CV 1
OR { 1414}
(( segid " " and resid 23 and name HB1 ))
(( segid " " and resid 23 and name HG1 ))
ASSI { 1417}
(( segid " " and resid 10 and name HD1 ))
(( segid " " and resid 10 and name HG2 ))
2.700 0.900 0.900 peak 1417 weight 0.10000E+01 volume 0.30704E-02 ppm1 1.673 ppm2 1.414 CV 1
OR { 1417}
(( segid " " and resid 10 and name HD2 ))
(( segid " " and resid 10 and name HG2 ))
ASSI { 1420}
(( segid " " and resid 1 and name HA ))
(( segid " " and resid 14 and name HB2 ))
5.200 3.400 0.800 peak 1420 weight 0.10000E+01 volume 0.17973E-03 ppm1 4.619 ppm2 2.596 CV 1
ASSI { 1422}
(( segid " " and resid 11 and name HB ))
(( segid " " and resid 12 and name HG1 ))
4.600 2.600 1.400 peak 1422 weight 0.10000E+01 volume 0.13854E-03 ppm1 4.370 ppm2 2.289 CV 1
ASSI { 1424}
(( segid " " and resid 18 and name HA1 ))
(( segid " " and resid 15 and name HB2 ))
5.200 3.400 0.800 peak 1424 weight 0.10000E+01 volume 0.11882E-03 ppm1 4.088 ppm2 2.705 CV 1
ASSI { 1425}
(( segid " " and resid 18 and name HA2 ))
(( segid " " and resid 15 and name HB2 ))
5.600 3.900 0.400 peak 1425 weight 0.10000E+01 volume 0.12731E-03 ppm1 3.825 ppm2 2.701 CV 1
ASSI { 1427}
(( segid " " and resid 2 and name HE2 ))
(( segid " " and resid 14 and name HB2 ))
4.600 2.600 1.400 peak 1427 weight 0.10000E+01 volume 0.18472E-03 ppm1 3.063 ppm2 2.605 CV 1
OR { 1427}
(( segid " " and resid 2 and name HE1 ))
(( segid " " and resid 14 and name HB2 ))
ASSI { 1428}
(( segid " " and resid 4 and name HG2 ))
(( segid " " and resid 5 and name HA1 ))
4.300 2.400 1.700 peak 1428 weight 0.10000E+01 volume 0.27833E-03 ppm1 1.313 ppm2 4.342 CV 1
Contact the webmaster for help, if required. Saturday, May 11, 2024 9:21:27 PM GMT (wattos1)