NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
11795 |
1s24   |
cing | 1-original | 1 | XPLOR/CNS | distance | NOE | ambi |
ASSI { 22}
(( segid " 1SG" and resid 52 and name HN ))
( segid " 1SG" and resid 51 and name HG1%)
2.700 0.900 0.900 peak 22 weight 0.10000E+01 volume 0.11300E+06 ppm1 8.285 ppm2 0.982
OR { 22}
(( segid " 1SG" and resid 52 and name HN ))
(( segid " 1SG" and resid 52 and name HG ))
ASSI { 124}
(( segid " 1SG" and resid 13 and name HN ))
( segid " 1SG" and resid 13 and name HD1%)
4.000 2.000 1.500 peak 124 weight 0.10000E+01 volume 0.11700E+05 ppm1 7.729 ppm2 0.423
OR { 124}
(( segid " 1SG" and resid 13 and name HN ))
( segid " 1SG" and resid 6 and name HD1%)
ASSI { 157}
(( segid " 1SG" and resid 7 and name HN ))
(( segid " 1SG" and resid 6 and name HN ))
4.300 2.300 1.200 peak 157 weight 0.10000E+01 volume 0.76700E+04 ppm1 8.287 ppm2 10.138
OR { 157}
(( segid " 1SG" and resid 52 and name HN ))
(( segid " 1SG" and resid 6 and name HN ))
ASSI { 233}
(( segid " 1SG" and resid 48 and name HN ))
(( segid " 1SG" and resid 48 and name HA ))
2.100 0.600 0.600 peak 233 weight 0.10000E+01 volume 0.48100E+06 ppm1 8.063 ppm2 4.305
OR { 233}
(( segid " 1SG" and resid 49 and name HN ))
(( segid " 1SG" and resid 48 and name HA ))
ASSI { 234}
(( segid " 1SG" and resid 48 and name HN ))
(( segid " 1SG" and resid 47 and name HA ))
3.300 1.400 1.400 peak 234 weight 0.10000E+01 volume 0.39300E+05 ppm1 8.063 ppm2 4.035
OR { 234}
(( segid " 1SG" and resid 49 and name HN ))
(( segid " 1SG" and resid 47 and name HA ))
ASSI { 266}
(( segid " 1SG" and resid 33 and name HN ))
(( segid " 1SG" and resid 30 and name HN ))
3.200 1.300 1.300 peak 266 weight 0.10000E+01 volume 0.42600E+05 ppm1 7.382 ppm2 9.329
OR { 266}
(( segid " 1SG" and resid 29 and name HN ))
(( segid " 1SG" and resid 30 and name HN ))
ASSI { 350}
( segid " 1SG" and resid 53 and name HD% )
( segid " 1SG" and resid 13 and name HD1%)
4.000 2.000 1.500 peak 350 weight 0.10000E+01 volume 0.10900E+05 ppm1 6.872 ppm2 0.422
OR { 350}
( segid " 1SG" and resid 53 and name HD% )
( segid " 1SG" and resid 6 and name HD1%)
ASSI { 3}
( segid " 1SG" and resid 25 and name HD% )
(( segid " 1SG" and resid 38 and name HE1 ))
3.700 1.700 1.700 peak 3 weight 0.10000E+01 volume 0.12700E+05 ppm1 6.907 ppm2 10.606
OR { 3}
(( segid " 1SG" and resid 39 and name HN ))
(( segid " 1SG" and resid 38 and name HE1 ))
ASSI { 15}
(( segid " 1SG" and resid 5 and name HE3 ))
(( segid " 1SG" and resid 6 and name HN ))
3.100 1.200 1.200 peak 15 weight 0.10000E+01 volume 0.32600E+05 ppm1 6.742 ppm2 10.140
OR { 15}
( segid " 1SG" and resid 50 and name HE% )
(( segid " 1SG" and resid 6 and name HN ))
ASSI { 21}
(( segid " 1SG" and resid 53 and name HB2 ))
(( segid " 1SG" and resid 6 and name HN ))
3.300 1.400 1.400 peak 21 weight 0.10000E+01 volume 0.25700E+05 ppm1 2.490 ppm2 10.138
OR { 21}
(( segid " 1SG" and resid 50 and name HB2 ))
(( segid " 1SG" and resid 6 and name HN ))
ASSI { 28}
( segid " 1SG" and resid 14 and name HD% )
(( segid " 1SG" and resid 31 and name HN ))
3.400 1.400 1.400 peak 28 weight 0.10000E+01 volume 0.19000E+05 ppm1 7.172 ppm2 9.863
OR { 28}
(( segid " 1SG" and resid 5 and name HH2 ))
(( segid " 1SG" and resid 31 and name HN ))
ASSI { 40}
(( segid " 1SG" and resid 16 and name HA ))
(( segid " 1SG" and resid 31 and name HN ))
5.500 3.800 0.000 peak 40 weight 0.10000E+01 volume 0.36400E+03 ppm1 3.811 ppm2 9.849
OR { 40}
(( segid " 1SG" and resid 32 and name HA ))
(( segid " 1SG" and resid 31 and name HN ))
ASSI { 88}
(( segid " 1SG" and resid 4 and name HB2 ))
(( segid " 1SG" and resid 5 and name HN ))
2.700 0.900 0.900 peak 88 weight 0.10000E+01 volume 0.75100E+05 ppm1 1.593 ppm2 9.298
OR { 88}
(( segid " 1SG" and resid 8 and name HG11))
(( segid " 1SG" and resid 9 and name HN ))
OR { 88}
( segid " 1SG" and resid 22 and name HB% )
(( segid " 1SG" and resid 21 and name HN ))
ASSI { 96}
(( segid " 1SG" and resid 20 and name HB1 ))
(( segid " 1SG" and resid 21 and name HN ))
3.100 1.200 1.200 peak 96 weight 0.10000E+01 volume 0.33100E+05 ppm1 3.038 ppm2 9.283
OR { 96}
(( segid " 1SG" and resid 14 and name HB1 ))
(( segid " 1SG" and resid 5 and name HN ))
ASSI { 105}
(( segid " 1SG" and resid 52 and name HN ))
(( segid " 1SG" and resid 51 and name HN ))
3.300 1.400 1.400 peak 105 weight 0.10000E+01 volume 0.22700E+05 ppm1 8.287 ppm2 9.184
OR { 105}
(( segid " 1SG" and resid 7 and name HN ))
(( segid " 1SG" and resid 51 and name HN ))
ASSI { 109}
(( segid " 1SG" and resid 43 and name HB2 ))
(( segid " 1SG" and resid 45 and name HN ))
2.800 1.000 1.000 peak 109 weight 0.10000E+01 volume 0.65100E+05 ppm1 2.498 ppm2 9.194
OR { 109}
(( segid " 1SG" and resid 50 and name HB2 ))
(( segid " 1SG" and resid 51 and name HN ))
ASSI { 131}
(( segid " 1SG" and resid 25 and name HB2 ))
(( segid " 1SG" and resid 20 and name HN ))
2.200 0.600 0.600 peak 131 weight 0.10000E+01 volume 0.27200E+06 ppm1 2.906 ppm2 9.146
OR { 131}
(( segid " 1SG" and resid 40 and name HB2 ))
(( segid " 1SG" and resid 40 and name HN ))
ASSI { 210}
(( segid " 1SG" and resid 15 and name HN ))
(( segid " 1SG" and resid 16 and name HN ))
2.900 1.100 1.100 peak 210 weight 0.10000E+01 volume 0.51700E+05 ppm1 8.680 ppm2 8.502
OR { 210}
(( segid " 1SG" and resid 14 and name HH ))
(( segid " 1SG" and resid 16 and name HN ))
ASSI { 258}
(( segid " 1SG" and resid 8 and name HN ))
(( segid " 1SG" and resid 7 and name HN ))
5.500 3.800 0.000 peak 258 weight 0.10000E+01 volume 0.44900E+03 ppm1 9.192 ppm2 8.292
OR { 258}
(( segid " 1SG" and resid 51 and name HN ))
(( segid " 1SG" and resid 52 and name HN ))
OR { 258}
(( segid " 1SG" and resid 51 and name HN ))
(( segid " 1SG" and resid 7 and name HN ))
ASSI { 262}
( segid " 1SG" and resid 50 and name HE% )
(( segid " 1SG" and resid 7 and name HN ))
2.600 0.800 0.800 peak 262 weight 0.10000E+01 volume 0.10700E+06 ppm1 6.755 ppm2 8.291
OR { 262}
(( segid " 1SG" and resid 5 and name HE3 ))
(( segid " 1SG" and resid 52 and name HN ))
ASSI { 269}
(( segid " 1SG" and resid 6 and name HG12))
(( segid " 1SG" and resid 7 and name HN ))
5.200 3.400 0.300 peak 269 weight 0.10000E+01 volume 0.15600E+04 ppm1 0.608 ppm2 8.291
OR { 269}
( segid " 1SG" and resid 13 and name HG2%)
(( segid " 1SG" and resid 7 and name HN ))
ASSI { 309}
( segid " 1SG" and resid 9 and name HG2%)
(( segid " 1SG" and resid 11 and name HN ))
3.400 1.400 1.400 peak 309 weight 0.10000E+01 volume 0.20500E+05 ppm1 1.189 ppm2 8.077
OR { 309}
( segid " 1SG" and resid 9 and name HG2%)
(( segid " 1SG" and resid 49 and name HN ))
OR { 309}
(( segid " 1SG" and resid 6 and name HB ))
(( segid " 1SG" and resid 11 and name HN ))
ASSI { 327}
(( segid " 1SG" and resid 53 and name HN ))
(( segid " 1SG" and resid 4 and name HN ))
5.500 3.800 0.000 peak 327 weight 0.10000E+01 volume 0.14500E+03 ppm1 8.723 ppm2 7.978
OR { 327}
(( segid " 1SG" and resid 14 and name HH ))
(( segid " 1SG" and resid 28 and name HN ))
ASSI { 345}
( segid " 1SG" and resid 50 and name HE% )
(( segid " 1SG" and resid 50 and name HN ))
3.600 1.600 1.600 peak 345 weight 0.10000E+01 volume 0.14000E+05 ppm1 6.752 ppm2 7.927
OR { 345}
( segid " 1SG" and resid 50 and name HE% )
(( segid " 1SG" and resid 44 and name HN ))
OR { 345}
(( segid " 1SG" and resid 5 and name HE3 ))
(( segid " 1SG" and resid 50 and name HN ))
ASSI { 371}
(( segid " 1SG" and resid 38 and name HE3 ))
(( segid " 1SG" and resid 38 and name HN ))
3.500 1.500 1.500 peak 371 weight 0.10000E+01 volume 0.15900E+05 ppm1 6.712 ppm2 7.717
OR { 371}
( segid " 1SG" and resid 25 and name HE% )
(( segid " 1SG" and resid 38 and name HN ))
ASSI { 424}
(( segid " 1SG" and resid 39 and name HN ))
(( segid " 1SG" and resid 38 and name HD1 ))
3.500 1.500 1.500 peak 424 weight 0.10000E+01 volume 0.18200E+05 ppm1 6.916 ppm2 7.387
OR { 424}
( segid " 1SG" and resid 25 and name HD% )
(( segid " 1SG" and resid 38 and name HD1 ))
ASSI { 426}
(( segid " 1SG" and resid 38 and name HA ))
(( segid " 1SG" and resid 38 and name HD1 ))
5.500 3.800 0.000 peak 426 weight 0.10000E+01 volume 0.15300E+03 ppm1 4.218 ppm2 7.385
OR { 426}
(( segid " 1SG" and resid 28 and name HA1 ))
(( segid " 1SG" and resid 29 and name HN ))
OR { 426}
(( segid " 1SG" and resid 22 and name HA ))
(( segid " 1SG" and resid 23 and name HN ))
ASSI { 428}
(( segid " 1SG" and resid 38 and name HB1 ))
(( segid " 1SG" and resid 38 and name HD1 ))
2.300 0.700 0.700 peak 428 weight 0.10000E+01 volume 0.20900E+06 ppm1 3.108 ppm2 7.377
OR { 428}
(( segid " 1SG" and resid 28 and name HA2 ))
(( segid " 1SG" and resid 29 and name HN ))
ASSI { 430}
(( segid " 1SG" and resid 23 and name HB1 ))
(( segid " 1SG" and resid 23 and name HN ))
5.500 3.800 0.000 peak 430 weight 0.10000E+01 volume 0.33500E+03 ppm1 1.948 ppm2 7.388
OR { 430}
(( segid " 1SG" and resid 32 and name HB1 ))
(( segid " 1SG" and resid 33 and name HN ))
ASSI { 432}
( segid " 1SG" and resid 29 and name HG2%)
(( segid " 1SG" and resid 29 and name HN ))
4.600 2.600 0.900 peak 432 weight 0.10000E+01 volume 0.32300E+04 ppm1 0.822 ppm2 7.383
OR { 432}
( segid " 1SG" and resid 29 and name HG2%)
(( segid " 1SG" and resid 33 and name HN ))
ASSI { 435}
(( segid " 1SG" and resid 45 and name HN ))
(( segid " 1SG" and resid 43 and name HN ))
3.500 1.500 1.500 peak 435 weight 0.10000E+01 volume 0.16000E+05 ppm1 9.177 ppm2 7.345
OR { 435}
(( segid " 1SG" and resid 40 and name HN ))
(( segid " 1SG" and resid 43 and name HN ))
ASSI { 460}
( segid " 1SG" and resid 52 and name HD1%)
(( segid " 1SG" and resid 5 and name HH2 ))
5.500 3.800 0.000 peak 460 weight 0.10000E+01 volume 0.48200E+03 ppm1 0.403 ppm2 7.177
OR { 460}
( segid " 1SG" and resid 52 and name HD1%)
( segid " 1SG" and resid 14 and name HD% )
OR { 460}
(( segid " 1SG" and resid 34 and name HG11))
( segid " 1SG" and resid 14 and name HD% )
OR { 460}
( segid " 1SG" and resid 6 and name HD1%)
( segid " 1SG" and resid 14 and name HD% )
ASSI { 523}
(( segid " 1SG" and resid 14 and name HH ))
( segid " 1SG" and resid 25 and name HD% )
5.500 3.800 0.000 peak 523 weight 0.10000E+01 volume 0.15900E+03 ppm1 8.724 ppm2 6.885
OR { 523}
(( segid " 1SG" and resid 53 and name HN ))
( segid " 1SG" and resid 53 and name HD% )
ASSI { 547}
(( segid " 1SG" and resid 50 and name HN ))
( segid " 1SG" and resid 50 and name HE% )
3.800 1.800 1.700 peak 547 weight 0.10000E+01 volume 0.10900E+05 ppm1 7.924 ppm2 6.764
OR { 547}
(( segid " 1SG" and resid 44 and name HN ))
( segid " 1SG" and resid 50 and name HE% )
ASSI { 562}
(( segid " 1SG" and resid 23 and name HB1 ))
( segid " 1SG" and resid 25 and name HE% )
3.000 1.100 1.100 peak 562 weight 0.10000E+01 volume 0.39800E+05 ppm1 1.928 ppm2 6.707
OR { 562}
(( segid " 1SG" and resid 31 and name HB2 ))
(( segid " 1SG" and resid 34 and name HN ))
OR { 562}
(( segid " 1SG" and resid 32 and name HB1 ))
(( segid " 1SG" and resid 34 and name HN ))
ASSI { 597}
(( segid " 1SG" and resid 25 and name HB2 ))
( segid " 1SG" and resid 14 and name HE% )
3.300 1.400 1.400 peak 597 weight 0.10000E+01 volume 0.26500E+05 ppm1 2.883 ppm2 6.524
OR { 597}
(( segid " 1SG" and resid 14 and name HB2 ))
( segid " 1SG" and resid 14 and name HE% )
OR { 597}
(( segid " 1SG" and resid 20 and name HB2 ))
( segid " 1SG" and resid 14 and name HE% )
ASSI { 598}
(( segid " 1SG" and resid 31 and name HB1 ))
( segid " 1SG" and resid 14 and name HE% )
2.900 1.100 1.100 peak 598 weight 0.10000E+01 volume 0.53200E+05 ppm1 2.472 ppm2 6.521
OR { 598}
(( segid " 1SG" and resid 16 and name HB1 ))
( segid " 1SG" and resid 14 and name HE% )
ASSI { 612}
( segid " 1SG" and resid 50 and name HD% )
( segid " 1SG" and resid 31 and name HE% )
3.100 1.200 1.200 peak 612 weight 0.10000E+01 volume 0.36000E+05 ppm1 7.137 ppm2 6.392
OR { 612}
( segid " 1SG" and resid 14 and name HD% )
( segid " 1SG" and resid 31 and name HE% )
OR { 612}
(( segid " 1SG" and resid 38 and name HZ2 ))
( segid " 1SG" and resid 31 and name HE% )
ASSI { 643}
(( segid " 1SG" and resid 32 and name HA ))
( segid " 1SG" and resid 31 and name HD% )
5.500 3.800 0.000 peak 643 weight 0.10000E+01 volume 0.12600E+03 ppm1 3.801 ppm2 5.762
OR { 643}
(( segid " 1SG" and resid 16 and name HA ))
( segid " 1SG" and resid 31 and name HD% )
ASSI { 697}
(( segid " 1SG" and resid 45 and name HN ))
(( segid " 1SG" and resid 45 and name HA ))
2.400 0.700 0.700 peak 697 weight 0.10000E+01 volume 0.17300E+06 ppm1 9.177 ppm2 4.227
OR { 697}
(( segid " 1SG" and resid 45 and name HN ))
(( segid " 1SG" and resid 44 and name HA1 ))
ASSI { 698}
(( segid " 1SG" and resid 46 and name HN ))
(( segid " 1SG" and resid 45 and name HA ))
1.900 0.500 0.500 peak 698 weight 0.10000E+01 volume 0.59300E+06 ppm1 8.159 ppm2 4.232
OR { 698}
(( segid " 1SG" and resid 19 and name HN ))
(( segid " 1SG" and resid 18 and name HA ))
ASSI { 718}
(( segid " 1SG" and resid 29 and name HN ))
(( segid " 1SG" and resid 29 and name HB ))
2.600 0.800 0.800 peak 718 weight 0.10000E+01 volume 0.91600E+05 ppm1 7.374 ppm2 4.075
OR { 718}
(( segid " 1SG" and resid 23 and name HN ))
(( segid " 1SG" and resid 23 and name HA ))
ASSI { 726}
(( segid " 1SG" and resid 16 and name HB1 ))
(( segid " 1SG" and resid 30 and name HA ))
2.500 0.800 0.800 peak 726 weight 0.10000E+01 volume 0.11500E+06 ppm1 2.471 ppm2 4.063
OR { 726}
(( segid " 1SG" and resid 31 and name HB1 ))
(( segid " 1SG" and resid 30 and name HA ))
ASSI { 729}
(( segid " 1SG" and resid 49 and name HN ))
(( segid " 1SG" and resid 47 and name HA ))
3.100 1.200 1.200 peak 729 weight 0.10000E+01 volume 0.36500E+05 ppm1 8.097 ppm2 4.035
OR { 729}
(( segid " 1SG" and resid 11 and name HN ))
(( segid " 1SG" and resid 8 and name HA ))
ASSI { 748}
(( segid " 1SG" and resid 25 and name HN ))
(( segid " 1SG" and resid 24 and name HA1 ))
2.600 0.800 0.800 peak 748 weight 0.10000E+01 volume 0.10300E+06 ppm1 7.636 ppm2 3.914
OR { 748}
(( segid " 1SG" and resid 25 and name HN ))
(( segid " 1SG" and resid 21 and name HA ))
ASSI { 760}
(( segid " 1SG" and resid 33 and name HN ))
(( segid " 1SG" and resid 32 and name HA ))
3.400 1.400 1.400 peak 760 weight 0.10000E+01 volume 0.19200E+05 ppm1 7.396 ppm2 3.799
OR { 760}
(( segid " 1SG" and resid 29 and name HN ))
(( segid " 1SG" and resid 16 and name HA ))
ASSI { 772}
(( segid " 1SG" and resid 10 and name HN ))
(( segid " 1SG" and resid 11 and name HA2 ))
3.200 1.300 1.300 peak 772 weight 0.10000E+01 volume 0.27000E+05 ppm1 8.648 ppm2 3.675
OR { 772}
(( segid " 1SG" and resid 15 and name HN ))
(( segid " 1SG" and resid 19 and name HA2 ))
ASSI { 794}
(( segid " 1SG" and resid 29 and name HN ))
(( segid " 1SG" and resid 27 and name HA ))
2.800 1.000 1.000 peak 794 weight 0.10000E+01 volume 0.67700E+05 ppm1 7.375 ppm2 3.565
OR { 794}
(( segid " 1SG" and resid 43 and name HN ))
(( segid " 1SG" and resid 44 and name HA2 ))
ASSI { 799}
(( segid " 1SG" and resid 8 and name HN ))
(( segid " 1SG" and resid 7 and name HA ))
1.900 0.500 0.500 peak 799 weight 0.10000E+01 volume 0.59600E+06 ppm1 9.162 ppm2 3.522
OR { 799}
(( segid " 1SG" and resid 40 and name HN ))
(( segid " 1SG" and resid 40 and name HA ))
ASSI { 806}
(( segid " 1SG" and resid 42 and name HN ))
(( segid " 1SG" and resid 40 and name HA ))
3.200 1.300 1.300 peak 806 weight 0.10000E+01 volume 0.27300E+05 ppm1 8.086 ppm2 3.505
OR { 806}
(( segid " 1SG" and resid 11 and name HN ))
(( segid " 1SG" and resid 7 and name HA ))
ASSI { 856}
( segid " 1SG" and resid 50 and name HE% )
(( segid " 1SG" and resid 40 and name HB1 ))
2.200 0.600 0.600 peak 856 weight 0.10000E+01 volume 0.25800E+06 ppm1 6.791 ppm2 3.123
OR { 856}
( segid " 1SG" and resid 2 and name HE% )
(( segid " 1SG" and resid 28 and name HA2 ))
ASSI { 860}
(( segid " 1SG" and resid 29 and name HG1 ))
(( segid " 1SG" and resid 25 and name HB1 ))
3.500 1.500 1.500 peak 860 weight 0.10000E+01 volume 0.15900E+05 ppm1 6.432 ppm2 3.115
OR { 860}
(( segid " 1SG" and resid 29 and name HG1 ))
(( segid " 1SG" and resid 28 and name HA2 ))
ASSI { 864}
(( segid " 1SG" and resid 44 and name HA2 ))
(( segid " 1SG" and resid 40 and name HB1 ))
3.200 1.300 1.300 peak 864 weight 0.10000E+01 volume 0.28400E+05 ppm1 3.559 ppm2 3.118
OR { 864}
(( segid " 1SG" and resid 27 and name HA ))
(( segid " 1SG" and resid 28 and name HA2 ))
ASSI { 865}
(( segid " 1SG" and resid 25 and name HB2 ))
(( segid " 1SG" and resid 25 and name HB1 ))
1.600 0.300 0.600 peak 865 weight 0.10000E+01 volume 0.21800E+07 ppm1 2.906 ppm2 3.111
OR { 865}
(( segid " 1SG" and resid 40 and name HB2 ))
(( segid " 1SG" and resid 40 and name HB1 ))
OR { 865}
(( segid " 1SG" and resid 38 and name HB2 ))
(( segid " 1SG" and resid 38 and name HB1 ))
ASSI { 900}
( segid " 1SG" and resid 14 and name HE% )
(( segid " 1SG" and resid 25 and name HB2 ))
2.900 1.100 1.100 peak 900 weight 0.10000E+01 volume 0.48000E+05 ppm1 6.523 ppm2 2.882
OR { 900}
( segid " 1SG" and resid 14 and name HE% )
(( segid " 1SG" and resid 20 and name HB2 ))
ASSI { 914}
( segid " 1SG" and resid 50 and name HD% )
(( segid " 1SG" and resid 5 and name HB2 ))
2.200 0.600 0.600 peak 914 weight 0.10000E+01 volume 0.24400E+06 ppm1 7.136 ppm2 2.796
OR { 914}
( segid " 1SG" and resid 14 and name HD% )
(( segid " 1SG" and resid 5 and name HB2 ))
ASSI { 953}
( segid " 1SG" and resid 13 and name HG2%)
(( segid " 1SG" and resid 53 and name HB2 ))
3.600 1.600 1.600 peak 953 weight 0.10000E+01 volume 0.14500E+05 ppm1 0.609 ppm2 2.474
OR { 953}
(( segid " 1SG" and resid 6 and name HG12))
(( segid " 1SG" and resid 53 and name HB2 ))
ASSI { 988}
(( segid " 1SG" and resid 44 and name HA1 ))
(( segid " 1SG" and resid 39 and name HB2 ))
5.500 3.800 0.000 peak 988 weight 0.10000E+01 volume 0.26000E+03 ppm1 4.215 ppm2 2.208
OR { 988}
(( segid " 1SG" and resid 38 and name HA ))
(( segid " 1SG" and resid 39 and name HB2 ))
OR { 988}
(( segid " 1SG" and resid 45 and name HA ))
(( segid " 1SG" and resid 39 and name HB2 ))
ASSI { 991}
(( segid " 1SG" and resid 44 and name HA2 ))
(( segid " 1SG" and resid 39 and name HB2 ))
4.100 2.100 1.400 peak 991 weight 0.10000E+01 volume 0.62400E+04 ppm1 3.547 ppm2 2.205
OR { 991}
(( segid " 1SG" and resid 40 and name HA ))
(( segid " 1SG" and resid 39 and name HB2 ))
ASSI { 1022}
(( segid " 1SG" and resid 5 and name HE1 ))
(( segid " 1SG" and resid 31 and name HB2 ))
4.300 2.300 1.200 peak 1022 weight 0.10000E+01 volume 0.47000E+04 ppm1 9.712 ppm2 1.961
OR { 1022}
(( segid " 1SG" and resid 5 and name HE1 ))
(( segid " 1SG" and resid 16 and name HB2 ))
ASSI { 1028}
(( segid " 1SG" and resid 5 and name HD1 ))
(( segid " 1SG" and resid 16 and name HB2 ))
5.500 3.800 0.000 peak 1028 weight 0.10000E+01 volume 0.98600E+03 ppm1 6.961 ppm2 1.961
OR { 1028}
(( segid " 1SG" and resid 5 and name HZ3 ))
(( segid " 1SG" and resid 31 and name HB2 ))
OR { 1028}
(( segid " 1SG" and resid 5 and name HD1 ))
(( segid " 1SG" and resid 31 and name HB2 ))
ASSI { 1031}
(( segid " 1SG" and resid 16 and name HB1 ))
(( segid " 1SG" and resid 16 and name HB2 ))
1.700 0.400 0.500 peak 1031 weight 0.10000E+01 volume 0.11000E+07 ppm1 2.470 ppm2 1.964
OR { 1031}
(( segid " 1SG" and resid 31 and name HB1 ))
(( segid " 1SG" and resid 31 and name HB2 ))
ASSI { 1036}
(( segid " 1SG" and resid 2 and name HB2 ))
(( segid " 1SG" and resid 16 and name HB2 ))
5.500 3.800 0.000 peak 1036 weight 0.10000E+01 volume 0.63400E+03 ppm1 2.876 ppm2 1.951
OR { 1036}
(( segid " 1SG" and resid 20 and name HB2 ))
(( segid " 1SG" and resid 23 and name HB1 ))
ASSI { 1091}
( segid " 1SG" and resid 13 and name HG2%)
(( segid " 1SG" and resid 4 and name HB2 ))
2.100 0.600 0.600 peak 1091 weight 0.10000E+01 volume 0.34800E+06 ppm1 0.640 ppm2 1.601
OR { 1091}
( segid " 1SG" and resid 13 and name HG2%)
(( segid " 1SG" and resid 13 and name HG11))
ASSI { 1148}
(( segid " 1SG" and resid 3 and name HG ))
(( segid " 1SG" and resid 3 and name HB2 ))
1.900 0.500 0.500 peak 1148 weight 0.10000E+01 volume 0.67800E+06 ppm1 0.766 ppm2 1.203
OR { 1148}
(( segid " 1SG" and resid 6 and name HG11))
(( segid " 1SG" and resid 6 and name HB ))
ASSI { 1194}
(( segid " 1SG" and resid 51 and name HN ))
( segid " 1SG" and resid 6 and name HG2%)
2.200 0.600 0.600 peak 1194 weight 0.10000E+01 volume 0.30400E+06 ppm1 9.196 ppm2 0.852
OR { 1194}
(( segid " 1SG" and resid 51 and name HN ))
( segid " 1SG" and resid 51 and name HG2%)
OR { 1194}
(( segid " 1SG" and resid 8 and name HN ))
( segid " 1SG" and resid 6 and name HG2%)
ASSI { 1201}
(( segid " 1SG" and resid 53 and name HB2 ))
( segid " 1SG" and resid 6 and name HG2%)
4.500 2.500 1.000 peak 1201 weight 0.10000E+01 volume 0.37800E+04 ppm1 2.490 ppm2 0.839
OR { 1201}
(( segid " 1SG" and resid 33 and name HB2 ))
( segid " 1SG" and resid 29 and name HG2%)
ASSI { 1206}
(( segid " 1SG" and resid 25 and name HB1 ))
( segid " 1SG" and resid 29 and name HG2%)
5.500 3.800 0.000 peak 1206 weight 0.10000E+01 volume 0.83000E+03 ppm1 3.126 ppm2 0.817
OR { 1206}
(( segid " 1SG" and resid 28 and name HA2 ))
( segid " 1SG" and resid 29 and name HG2%)
ASSI { 1251}
(( segid " 1SG" and resid 6 and name HG12))
( segid " 1SG" and resid 6 and name HD1%)
1.900 0.500 0.500 peak 1251 weight 0.10000E+01 volume 0.63400E+06 ppm1 0.638 ppm2 0.421
OR { 1251}
( segid " 1SG" and resid 13 and name HG2%)
( segid " 1SG" and resid 13 and name HD1%)
ASSI { 1260}
(( segid " 1SG" and resid 5 and name HH2 ))
( segid " 1SG" and resid 52 and name HD1%)
5.500 3.800 0.000 peak 1260 weight 0.10000E+01 volume 0.61700E+03 ppm1 7.174 ppm2 0.397
OR { 1260}
( segid " 1SG" and resid 14 and name HD% )
( segid " 1SG" and resid 52 and name HD1%)
ASSI { 1281}
( segid " 1SG" and resid 25 and name HD% )
( segid " 1SG" and resid 34 and name HG2%)
3.900 1.900 1.600 peak 1281 weight 0.10000E+01 volume 0.90700E+04 ppm1 6.904 ppm2 -0.196
OR { 1281}
(( segid " 1SG" and resid 39 and name HN ))
( segid " 1SG" and resid 34 and name HG2%)
ASSI { 1282}
( segid " 1SG" and resid 25 and name HE% )
( segid " 1SG" and resid 34 and name HG2%)
2.200 0.600 0.600 peak 1282 weight 0.10000E+01 volume 0.24800E+06 ppm1 6.710 ppm2 -0.193
OR { 1282}
(( segid " 1SG" and resid 38 and name HE3 ))
( segid " 1SG" and resid 34 and name HG2%)
ASSI { 1311}
(( segid " 1SG" and resid 33 and name HN ))
( segid " 1SG" and resid 34 and name HD1%)
4.600 2.600 0.900 peak 1311 weight 0.10000E+01 volume 0.32100E+04 ppm1 7.395 ppm2 -1.231
OR { 1311}
(( segid " 1SG" and resid 38 and name HD1 ))
( segid " 1SG" and resid 34 and name HD1%)
ASSI { 1328}
(( segid " 1SG" and resid 14 and name HN ))
(( segid " 1SG" and resid 5 and name HA ))
4.400 2.400 1.100 peak 1328 weight 0.10000E+01 volume 0.42600E+04 ppm1 9.759 ppm2 5.047
OR { 1328}
(( segid " 1SG" and resid 5 and name HE1 ))
(( segid " 1SG" and resid 5 and name HA ))
ASSI { 1331}
(( segid " 1SG" and resid 5 and name HE1 ))
( segid " 1SG" and resid 14 and name HD% )
3.400 1.400 1.400 peak 1331 weight 0.10000E+01 volume 0.21900E+05 ppm1 9.757 ppm2 7.162
OR { 1331}
(( segid " 1SG" and resid 14 and name HN ))
( segid " 1SG" and resid 14 and name HD% )
ASSI { 1340}
( segid " 1SG" and resid 34 and name HD1%)
(( segid " 1SG" and resid 38 and name HB1 ))
5.400 3.600 0.100 peak 1340 weight 0.10000E+01 volume 0.12200E+04 ppm1 -1.230 ppm2 3.100
OR { 1340}
( segid " 1SG" and resid 34 and name HD1%)
(( segid " 1SG" and resid 25 and name HB1 ))
ASSI { 1366}
(( segid " 1SG" and resid 16 and name HN ))
(( segid " 1SG" and resid 15 and name HB1 ))
4.000 2.000 1.500 peak 1366 weight 0.10000E+01 volume 0.78400E+04 ppm1 8.499 ppm2 2.852
OR { 1366}
(( segid " 1SG" and resid 16 and name HN ))
(( segid " 1SG" and resid 2 and name HB2 ))
ASSI { 1399}
(( segid " 1SG" and resid 17 and name HN ))
(( segid " 1SG" and resid 15 and name HB1 ))
3.400 1.400 1.400 peak 1399 weight 0.10000E+01 volume 0.20000E+05 ppm1 8.220 ppm2 2.854
OR { 1399}
(( segid " 1SG" and resid 17 and name HN ))
(( segid " 1SG" and resid 2 and name HB2 ))
ASSI { 1401}
(( segid " 1SG" and resid 37 and name HN ))
(( segid " 1SG" and resid 37 and name HB1 ))
2.500 0.800 0.800 peak 1401 weight 0.10000E+01 volume 0.12600E+06 ppm1 8.184 ppm2 2.882
OR { 1401}
(( segid " 1SG" and resid 17 and name HN ))
(( segid " 1SG" and resid 15 and name HB1 ))
ASSI { 1407}
(( segid " 1SG" and resid 15 and name HN ))
(( segid " 1SG" and resid 19 and name HA1 ))
3.200 1.300 1.300 peak 1407 weight 0.10000E+01 volume 0.28100E+05 ppm1 8.684 ppm2 3.925
OR { 1407}
(( segid " 1SG" and resid 14 and name HH ))
(( segid " 1SG" and resid 19 and name HA1 ))
ASSI { 1409}
(( segid " 1SG" and resid 20 and name HN ))
(( segid " 1SG" and resid 25 and name HB2 ))
2.100 0.600 0.600 peak 1409 weight 0.10000E+01 volume 0.32600E+06 ppm1 9.143 ppm2 2.909
OR { 1409}
(( segid " 1SG" and resid 40 and name HN ))
(( segid " 1SG" and resid 40 and name HB2 ))
OR { 1409}
(( segid " 1SG" and resid 45 and name HN ))
(( segid " 1SG" and resid 40 and name HB2 ))
ASSI { 1410}
(( segid " 1SG" and resid 20 and name HN ))
(( segid " 1SG" and resid 25 and name HB1 ))
2.100 0.600 0.600 peak 1410 weight 0.10000E+01 volume 0.35400E+06 ppm1 9.143 ppm2 3.103
OR { 1410}
(( segid " 1SG" and resid 40 and name HN ))
(( segid " 1SG" and resid 40 and name HB1 ))
OR { 1410}
(( segid " 1SG" and resid 45 and name HN ))
(( segid " 1SG" and resid 40 and name HB1 ))
ASSI { 1411}
(( segid " 1SG" and resid 40 and name HN ))
(( segid " 1SG" and resid 40 and name HB2 ))
2.900 1.100 1.100 peak 1411 weight 0.10000E+01 volume 0.48700E+05 ppm1 9.177 ppm2 2.913
OR { 1411}
(( segid " 1SG" and resid 45 and name HN ))
(( segid " 1SG" and resid 40 and name HB2 ))
ASSI { 1412}
(( segid " 1SG" and resid 40 and name HN ))
(( segid " 1SG" and resid 40 and name HB1 ))
2.400 0.700 0.700 peak 1412 weight 0.10000E+01 volume 0.17800E+06 ppm1 9.177 ppm2 3.109
OR { 1412}
(( segid " 1SG" and resid 45 and name HN ))
(( segid " 1SG" and resid 40 and name HB1 ))
ASSI { 1444}
(( segid " 1SG" and resid 51 and name HN ))
( segid " 1SG" and resid 51 and name HG1%)
2.600 0.800 0.800 peak 1444 weight 0.10000E+01 volume 0.96700E+05 ppm1 9.196 ppm2 1.009
OR { 1444}
(( segid " 1SG" and resid 8 and name HN ))
( segid " 1SG" and resid 51 and name HG1%)
ASSI { 1485}
( segid " 1SG" and resid 50 and name HD% )
(( segid " 1SG" and resid 5 and name HA ))
3.500 1.500 1.500 peak 1485 weight 0.10000E+01 volume 0.17400E+05 ppm1 7.135 ppm2 5.059
OR { 1485}
( segid " 1SG" and resid 14 and name HD% )
(( segid " 1SG" and resid 5 and name HA ))
ASSI { 1495}
(( segid " 1SG" and resid 6 and name HG12))
(( segid " 1SG" and resid 6 and name HA ))
3.000 1.100 1.100 peak 1495 weight 0.10000E+01 volume 0.46300E+05 ppm1 0.610 ppm2 5.391
OR { 1495}
( segid " 1SG" and resid 13 and name HG2%)
(( segid " 1SG" and resid 6 and name HA ))
ASSI { 1511}
( segid " 1SG" and resid 53 and name HE% )
( segid " 1SG" and resid 13 and name HD1%)
2.600 0.800 0.800 peak 1511 weight 0.10000E+01 volume 0.10000E+06 ppm1 6.725 ppm2 0.422
OR { 1511}
( segid " 1SG" and resid 53 and name HE% )
( segid " 1SG" and resid 6 and name HD1%)
ASSI { 1514}
( segid " 1SG" and resid 52 and name HD1%)
(( segid " 1SG" and resid 52 and name HB1 ))
2.300 0.700 0.700 peak 1514 weight 0.10000E+01 volume 0.23900E+06 ppm1 0.409 ppm2 1.211
OR { 1514}
( segid " 1SG" and resid 6 and name HD1%)
(( segid " 1SG" and resid 6 and name HB ))
ASSI { 1562}
(( segid " 1SG" and resid 20 and name HB2 ))
(( segid " 1SG" and resid 20 and name HA ))
2.400 0.700 0.700 peak 1562 weight 0.10000E+01 volume 0.16300E+06 ppm1 2.878 ppm2 4.778
OR { 1562}
(( segid " 1SG" and resid 15 and name HB1 ))
(( segid " 1SG" and resid 15 and name HA ))
ASSI { 1580}
( segid " 1SG" and resid 9 and name HG2%)
(( segid " 1SG" and resid 49 and name HA ))
2.400 2.400 2.100 peak 1580 weight 0.10000E+01 volume 0.16300E+06 ppm1 1.171 ppm2 4.790
OR { 1580}
(( segid " 1SG" and resid 3 and name HB2 ))
(( segid " 1SG" and resid 2 and name HA ))
ASSI { 1588}
( segid " 1SG" and resid 8 and name HD1%)
(( segid " 1SG" and resid 8 and name HA ))
2.700 0.900 0.900 peak 1588 weight 0.10000E+01 volume 0.76500E+05 ppm1 0.870 ppm2 4.035
OR { 1588}
( segid " 1SG" and resid 6 and name HG2%)
(( segid " 1SG" and resid 8 and name HA ))
ASSI { 1614}
(( segid " 1SG" and resid 53 and name HB2 ))
(( segid " 1SG" and resid 53 and name HA ))
2.200 0.600 0.600 peak 1614 weight 0.10000E+01 volume 0.25600E+06 ppm1 2.487 ppm2 4.478
OR { 1614}
(( segid " 1SG" and resid 33 and name HB2 ))
(( segid " 1SG" and resid 33 and name HA ))
ASSI { 1625}
(( segid " 1SG" and resid 8 and name HG12))
(( segid " 1SG" and resid 9 and name HA ))
2.400 2.400 2.100 peak 1625 weight 0.10000E+01 volume 0.16300E+06 ppm1 1.444 ppm2 4.145
OR { 1625}
(( segid " 1SG" and resid 13 and name HB ))
(( segid " 1SG" and resid 12 and name HA ))
ASSI { 1627}
(( segid " 1SG" and resid 13 and name HG11))
(( segid " 1SG" and resid 12 and name HA ))
1.900 1.900 2.600 peak 1627 weight 0.10000E+01 volume 0.63900E+06 ppm1 1.591 ppm2 4.159
OR { 1627}
(( segid " 1SG" and resid 8 and name HG11))
(( segid " 1SG" and resid 9 and name HA ))
ASSI { 31}
( segid " 1SG" and resid 14 and name HD% )
(( segid " 1SG" and resid 5 and name HE1 ))
2.900 1.100 1.100 peak 31 weight 0.10000E+01 volume 0.23400E+05 ppm1 7.276 ppm2 9.834
OR { 31}
( segid " 1SG" and resid 50 and name HD% )
(( segid " 1SG" and resid 14 and name HN ))
OR { 31}
( segid " 1SG" and resid 14 and name HD% )
(( segid " 1SG" and resid 14 and name HN ))
ASSI { 56}
(( segid " 1SG" and resid 4 and name HB2 ))
(( segid " 1SG" and resid 5 and name HN ))
2.800 1.000 1.000 peak 56 weight 0.10000E+01 volume 0.33000E+05 ppm1 1.693 ppm2 9.387
OR { 56}
(( segid " 1SG" and resid 8 and name HG11))
(( segid " 1SG" and resid 9 and name HN ))
ASSI { 85}
( segid " 1SG" and resid 6 and name HG2%)
(( segid " 1SG" and resid 51 and name HN ))
2.200 0.600 0.600 peak 85 weight 0.10000E+01 volume 0.12800E+06 ppm1 0.965 ppm2 9.296
OR { 85}
( segid " 1SG" and resid 51 and name HG2%)
(( segid " 1SG" and resid 51 and name HN ))
ASSI { 256}
(( segid " 1SG" and resid 4 and name HB2 ))
(( segid " 1SG" and resid 4 and name HN ))
3.600 1.600 1.600 peak 256 weight 0.10000E+01 volume 0.68300E+04 ppm1 1.694 ppm2 8.036
OR { 256}
( segid " 1SG" and resid 45 and name HB% )
(( segid " 1SG" and resid 44 and name HN ))
ASSI { 300}
(( segid " 1SG" and resid 30 and name HN ))
(( segid " 1SG" and resid 33 and name HN ))
5.500 3.800 0.000 peak 300 weight 0.10000E+01 volume 0.42000E+03 ppm1 9.360 ppm2 7.496
OR { 300}
(( segid " 1SG" and resid 21 and name HN ))
(( segid " 1SG" and resid 23 and name HN ))
OR { 300}
(( segid " 1SG" and resid 30 and name HN ))
(( segid " 1SG" and resid 29 and name HN ))
ASSI { 337}
( segid " 1SG" and resid 31 and name HE% )
( segid " 1SG" and resid 50 and name HD% )
4.600 2.600 0.900 peak 337 weight 0.10000E+01 volume 0.16100E+04 ppm1 6.496 ppm2 7.262
OR { 337}
( segid " 1SG" and resid 31 and name HE% )
( segid " 1SG" and resid 14 and name HD% )
ASSI { 392}
( segid " 1SG" and resid 17 and name HB% )
( segid " 1SG" and resid 2 and name HE% )
2.700 0.900 0.900 peak 392 weight 0.10000E+01 volume 0.41900E+05 ppm1 1.354 ppm2 6.934
OR { 392}
( segid " 1SG" and resid 17 and name HB% )
(( segid " 1SG" and resid 18 and name HN ))
ASSI { 415}
(( segid " 1SG" and resid 33 and name HN ))
(( segid " 1SG" and resid 34 and name HN ))
2.000 0.500 0.500 peak 415 weight 0.10000E+01 volume 0.22300E+06 ppm1 7.479 ppm2 6.807
OR { 415}
(( segid " 1SG" and resid 38 and name HD1 ))
( segid " 1SG" and resid 25 and name HE% )
ASSI { 470}
( segid " 1SG" and resid 14 and name HD% )
( segid " 1SG" and resid 31 and name HD% )
2.400 0.700 0.700 peak 470 weight 0.10000E+01 volume 0.75600E+05 ppm1 7.280 ppm2 5.868
OR { 470}
(( segid " 1SG" and resid 5 and name HH2 ))
( segid " 1SG" and resid 31 and name HD% )
ASSI { 530}
(( segid " 1SG" and resid 39 and name HN ))
(( segid " 1SG" and resid 38 and name HA ))
1.900 0.500 0.500 peak 530 weight 0.10000E+01 volume 0.36600E+06 ppm1 6.930 ppm2 4.351
OR { 530}
(( segid " 1SG" and resid 18 and name HN ))
(( segid " 1SG" and resid 18 and name HA ))
ASSI { 531}
(( segid " 1SG" and resid 38 and name HB2 ))
(( segid " 1SG" and resid 38 and name HA ))
3.000 1.100 1.100 peak 531 weight 0.10000E+01 volume 0.20300E+05 ppm1 3.016 ppm2 4.342
OR { 531}
(( segid " 1SG" and resid 37 and name HB1 ))
(( segid " 1SG" and resid 38 and name HA ))
ASSI { 547}
(( segid " 1SG" and resid 29 and name HN ))
(( segid " 1SG" and resid 29 and name HB ))
1.900 0.500 0.500 peak 547 weight 0.10000E+01 volume 0.32900E+06 ppm1 7.497 ppm2 4.203
OR { 547}
(( segid " 1SG" and resid 23 and name HN ))
(( segid " 1SG" and resid 23 and name HA ))
OR { 547}
(( segid " 1SG" and resid 29 and name HN ))
(( segid " 1SG" and resid 29 and name HA ))
ASSI { 602}
(( segid " 1SG" and resid 28 and name HN ))
(( segid " 1SG" and resid 27 and name HA ))
1.900 0.500 0.500 peak 602 weight 0.10000E+01 volume 0.33300E+06 ppm1 8.079 ppm2 3.686
OR { 602}
(( segid " 1SG" and resid 44 and name HN ))
(( segid " 1SG" and resid 44 and name HA2 ))
ASSI { 610}
( segid " 1SG" and resid 50 and name HD% )
(( segid " 1SG" and resid 7 and name HA ))
2.800 1.000 1.000 peak 610 weight 0.10000E+01 volume 0.30100E+05 ppm1 7.241 ppm2 3.627
OR { 610}
(( segid " 1SG" and resid 38 and name HZ2 ))
(( segid " 1SG" and resid 40 and name HA ))
ASSI { 654}
(( segid " 1SG" and resid 26 and name HN ))
(( segid " 1SG" and resid 25 and name HB1 ))
3.400 1.400 1.400 peak 654 weight 0.10000E+01 volume 0.93700E+04 ppm1 8.362 ppm2 3.244
OR { 654}
(( segid " 1SG" and resid 17 and name HN ))
(( segid " 1SG" and resid 28 and name HA2 ))
ASSI { 665}
( segid " 1SG" and resid 25 and name HD% )
(( segid " 1SG" and resid 20 and name HB1 ))
2.200 2.200 2.300 peak 665 weight 0.10000E+01 volume 0.14200E+06 ppm1 7.017 ppm2 3.157
OR { 665}
(( segid " 1SG" and resid 38 and name HH2 ))
(( segid " 1SG" and resid 14 and name HB1 ))
ASSI { 683}
( segid " 1SG" and resid 9 and name HG2%)
(( segid " 1SG" and resid 40 and name HB2 ))
5.400 3.600 0.100 peak 683 weight 0.10000E+01 volume 0.58800E+03 ppm1 1.269 ppm2 3.046
OR { 683}
(( segid " 1SG" and resid 3 and name HB2 ))
(( segid " 1SG" and resid 5 and name HB1 ))
ASSI { 684}
(( segid " 1SG" and resid 40 and name HN ))
(( segid " 1SG" and resid 40 and name HB2 ))
2.200 0.600 0.600 peak 684 weight 0.10000E+01 volume 0.15300E+06 ppm1 9.221 ppm2 3.030
OR { 684}
(( segid " 1SG" and resid 20 and name HN ))
(( segid " 1SG" and resid 20 and name HB2 ))
ASSI { 693}
( segid " 1SG" and resid 45 and name HB% )
(( segid " 1SG" and resid 40 and name HB2 ))
2.200 2.200 2.300 peak 693 weight 0.10000E+01 volume 0.13500E+06 ppm1 1.725 ppm2 3.025
OR { 693}
( segid " 1SG" and resid 22 and name HB% )
(( segid " 1SG" and resid 20 and name HB2 ))
ASSI { 700}
( segid " 1SG" and resid 2 and name HD% )
(( segid " 1SG" and resid 2 and name HB2 ))
1.800 0.400 0.400 peak 700 weight 0.10000E+01 volume 0.43800E+06 ppm1 7.297 ppm2 2.980
OR { 700}
( segid " 1SG" and resid 14 and name HD% )
(( segid " 1SG" and resid 14 and name HB2 ))
ASSI { 707}
( segid " 1SG" and resid 13 and name HG2%)
(( segid " 1SG" and resid 14 and name HB2 ))
3.700 1.700 1.700 peak 707 weight 0.10000E+01 volume 0.62600E+04 ppm1 0.764 ppm2 2.972
OR { 707}
( segid " 1SG" and resid 13 and name HG2%)
(( segid " 1SG" and resid 15 and name HB1 ))
ASSI { 731}
(( segid " 1SG" and resid 44 and name HA1 ))
(( segid " 1SG" and resid 43 and name HB2 ))
3.200 1.300 1.300 peak 731 weight 0.10000E+01 volume 0.13300E+05 ppm1 4.327 ppm2 2.675
OR { 731}
(( segid " 1SG" and resid 38 and name HA ))
(( segid " 1SG" and resid 37 and name HB2 ))
ASSI { 739}
(( segid " 1SG" and resid 5 and name HE3 ))
(( segid " 1SG" and resid 50 and name HB2 ))
2.500 0.800 0.800 peak 739 weight 0.10000E+01 volume 0.56900E+05 ppm1 6.860 ppm2 2.617
OR { 739}
( segid " 1SG" and resid 50 and name HE% )
(( segid " 1SG" and resid 50 and name HB2 ))
ASSI { 816}
( segid " 1SG" and resid 2 and name HD% )
(( segid " 1SG" and resid 16 and name HB2 ))
2.700 0.900 0.900 peak 816 weight 0.10000E+01 volume 0.41000E+05 ppm1 7.309 ppm2 2.088
OR { 816}
(( segid " 1SG" and resid 5 and name HH2 ))
(( segid " 1SG" and resid 31 and name HB2 ))
ASSI { 827}
( segid " 1SG" and resid 25 and name HE% )
(( segid " 1SG" and resid 23 and name HB1 ))
4.400 2.400 1.100 peak 827 weight 0.10000E+01 volume 0.20500E+04 ppm1 6.825 ppm2 2.060
OR { 827}
(( segid " 1SG" and resid 38 and name HE3 ))
(( segid " 1SG" and resid 47 and name HB1 ))
ASSI { 842}
(( segid " 1SG" and resid 53 and name HB2 ))
(( segid " 1SG" and resid 4 and name HB1 ))
4.900 3.000 0.600 peak 842 weight 0.10000E+01 volume 0.10700E+04 ppm1 2.594 ppm2 1.962
OR { 842}
(( segid " 1SG" and resid 50 and name HB2 ))
(( segid " 1SG" and resid 47 and name HB2 ))
ASSI { 925}
(( segid " 1SG" and resid 7 and name HB1 ))
( segid " 1SG" and resid 9 and name HG2%)
3.400 1.400 1.400 peak 925 weight 0.10000E+01 volume 0.10300E+05 ppm1 3.048 ppm2 1.276
OR { 925}
(( segid " 1SG" and resid 40 and name HB2 ))
( segid " 1SG" and resid 9 and name HG2%)
ASSI { 1011}
(( segid " 1SG" and resid 52 and name HB1 ))
( segid " 1SG" and resid 52 and name HD2%)
3.100 1.200 1.200 peak 1011 weight 0.10000E+01 volume 0.16200E+05 ppm1 1.332 ppm2 0.391
OR { 1011}
(( segid " 1SG" and resid 3 and name HB2 ))
( segid " 1SG" and resid 52 and name HD2%)
ASSI { 1058}
(( segid " 1SG" and resid 5 and name HN ))
(( segid " 1SG" and resid 5 and name HB1 ))
5.500 3.800 0.000 peak 1058 weight 0.10000E+01 volume 0.48300E+03 ppm1 9.385 ppm2 3.051
OR { 1058}
(( segid " 1SG" and resid 9 and name HN ))
(( segid " 1SG" and resid 7 and name HB1 ))
ASSI { 1065}
(( segid " 1SG" and resid 8 and name HN ))
(( segid " 1SG" and resid 9 and name HB ))
5.500 3.800 0.000 peak 1065 weight 0.10000E+01 volume 0.22300E+03 ppm1 9.241 ppm2 4.491
OR { 1065}
(( segid " 1SG" and resid 45 and name HN ))
(( segid " 1SG" and resid 9 and name HB ))
ASSI { 1073}
(( segid " 1SG" and resid 20 and name HN ))
(( segid " 1SG" and resid 25 and name HB1 ))
2.200 0.600 0.600 peak 1073 weight 0.10000E+01 volume 0.12300E+06 ppm1 9.221 ppm2 3.226
OR { 1073}
(( segid " 1SG" and resid 40 and name HN ))
(( segid " 1SG" and resid 40 and name HB1 ))
ASSI { 1084}
(( segid " 1SG" and resid 14 and name HH ))
(( segid " 1SG" and resid 19 and name HA2 ))
5.500 3.800 0.000 peak 1084 weight 0.10000E+01 volume 0.43000E+03 ppm1 8.746 ppm2 3.792
OR { 1084}
(( segid " 1SG" and resid 10 and name HN ))
(( segid " 1SG" and resid 11 and name HA2 ))
ASSI { 1087}
(( segid " 1SG" and resid 53 and name HN ))
(( segid " 1SG" and resid 52 and name HB1 ))
4.000 2.000 1.500 peak 1087 weight 0.10000E+01 volume 0.39500E+04 ppm1 8.807 ppm2 1.333
OR { 1087}
(( segid " 1SG" and resid 53 and name HN ))
(( segid " 1SG" and resid 6 and name HB ))
ASSI { 1106}
(( segid " 1SG" and resid 2 and name HN ))
(( segid " 1SG" and resid 2 and name HA ))
4.700 2.800 0.800 peak 1106 weight 0.10000E+01 volume 0.14600E+04 ppm1 8.366 ppm2 4.917
OR { 1106}
(( segid " 1SG" and resid 17 and name HN ))
(( segid " 1SG" and resid 15 and name HA ))
ASSI { 1110}
(( segid " 1SG" and resid 7 and name HN ))
(( segid " 1SG" and resid 11 and name HA2 ))
5.500 3.800 0.000 peak 1110 weight 0.10000E+01 volume 0.32600E+03 ppm1 8.391 ppm2 3.796
OR { 1110}
(( segid " 1SG" and resid 26 and name HN ))
(( segid " 1SG" and resid 19 and name HA2 ))
ASSI { 1119}
(( segid " 1SG" and resid 26 and name HN ))
(( segid " 1SG" and resid 24 and name HA1 ))
3.600 1.600 1.600 peak 1119 weight 0.10000E+01 volume 0.65200E+04 ppm1 8.339 ppm2 4.029
OR { 1119}
(( segid " 1SG" and resid 17 and name HN ))
(( segid " 1SG" and resid 19 and name HA1 ))
ASSI { 1146}
(( segid " 1SG" and resid 38 and name HE3 ))
(( segid " 1SG" and resid 47 and name HA ))
4.900 3.000 0.600 peak 1146 weight 0.10000E+01 volume 0.11600E+04 ppm1 6.830 ppm2 4.157
OR { 1146}
(( segid " 1SG" and resid 5 and name HE3 ))
(( segid " 1SG" and resid 47 and name HA ))
ASSI { 1147}
( segid " 1SG" and resid 14 and name HE% )
(( segid " 1SG" and resid 30 and name HA ))
2.800 1.000 1.000 peak 1147 weight 0.10000E+01 volume 0.34400E+05 ppm1 6.636 ppm2 4.182
OR { 1147}
( segid " 1SG" and resid 14 and name HE% )
(( segid " 1SG" and resid 29 and name HB ))
ASSI { 1149}
( segid " 1SG" and resid 50 and name HE% )
(( segid " 1SG" and resid 50 and name HB1 ))
3.100 1.200 1.200 peak 1149 weight 0.10000E+01 volume 0.17200E+05 ppm1 6.866 ppm2 3.786
OR { 1149}
(( segid " 1SG" and resid 5 and name HE3 ))
(( segid " 1SG" and resid 50 and name HB1 ))
OR { 1149}
(( segid " 1SG" and resid 38 and name HE3 ))
(( segid " 1SG" and resid 50 and name HB1 ))
ASSI { 1152}
( segid " 1SG" and resid 25 and name HE% )
(( segid " 1SG" and resid 38 and name HB1 ))
3.200 1.300 1.300 peak 1152 weight 0.10000E+01 volume 0.13900E+05 ppm1 6.828 ppm2 3.205
OR { 1152}
(( segid " 1SG" and resid 38 and name HE3 ))
(( segid " 1SG" and resid 38 and name HB1 ))
ASSI { 1161}
( segid " 1SG" and resid 14 and name HD% )
(( segid " 1SG" and resid 4 and name HB1 ))
5.300 3.500 0.200 peak 1161 weight 0.10000E+01 volume 0.72300E+03 ppm1 7.313 ppm2 1.954
OR { 1161}
(( segid " 1SG" and resid 5 and name HH2 ))
(( segid " 1SG" and resid 47 and name HB2 ))
OR { 1161}
( segid " 1SG" and resid 2 and name HD% )
(( segid " 1SG" and resid 4 and name HB1 ))
ASSI { 1165}
(( segid " 1SG" and resid 23 and name HN ))
(( segid " 1SG" and resid 24 and name HA1 ))
5.500 3.800 0.000 peak 1165 weight 0.10000E+01 volume 0.53700E+03 ppm1 7.501 ppm2 4.028
OR { 1165}
(( segid " 1SG" and resid 29 and name HN ))
(( segid " 1SG" and resid 19 and name HA1 ))
ASSI { 1195}
(( segid " 1SG" and resid 38 and name HD1 ))
(( segid " 1SG" and resid 39 and name HN ))
3.000 1.100 1.100 peak 1195 weight 0.10000E+01 volume 0.23000E+05 ppm1 7.502 ppm2 6.929
OR { 1195}
(( segid " 1SG" and resid 29 and name HN ))
( segid " 1SG" and resid 2 and name HE% )
ASSI { 1273}
(( segid " 1SG" and resid 6 and name HB ))
(( segid " 1SG" and resid 11 and name HA2 ))
4.800 2.900 0.700 peak 1273 weight 0.10000E+01 volume 0.12100E+04 ppm1 1.316 ppm2 3.786
OR { 1273}
( segid " 1SG" and resid 9 and name HG2%)
(( segid " 1SG" and resid 11 and name HA2 ))
OR { 1273}
( segid " 1SG" and resid 9 and name HG2%)
(( segid " 1SG" and resid 50 and name HB1 ))
ASSI { 1291}
(( segid " 1SG" and resid 23 and name HB1 ))
(( segid " 1SG" and resid 23 and name HA ))
2.000 0.500 0.500 peak 1291 weight 0.10000E+01 volume 0.25300E+06 ppm1 2.073 ppm2 4.178
OR { 1291}
(( segid " 1SG" and resid 47 and name HB1 ))
(( segid " 1SG" and resid 47 and name HA ))
ASSI { 1330}
(( segid " 1SG" and resid 17 and name HN ))
(( segid " 1SG" and resid 2 and name HB1 ))
2.600 0.800 0.800 peak 1330 weight 0.10000E+01 volume 0.49400E+05 ppm1 8.335 ppm2 3.318
OR { 1330}
(( segid " 1SG" and resid 2 and name HN ))
(( segid " 1SG" and resid 2 and name HB1 ))
REMARKS restraints for the sulphur to cadmium bonds and to beta carbon
REMARKS to enforce proper sp3 hybridation note the different segment specifications
REMARKS distance is restrained to 2.5 +- 0.1
assign ( resid 7 and name sg ) ( resid 1 and name cd ) 2.5 0.05 0.05
assign ( resid 10 and name sg ) ( resid 1 and name cd ) 2.5 0.05 0.05
assign ( resid 40 and name sg ) ( resid 1 and name cd ) 2.5 0.05 0.05
assign ( resid 43 and name sg ) ( resid 1 and name cd ) 2.5 0.05 0.05
assign ( resid 7 and name cb ) ( resid 1 and name cd ) 3.5 0.25 0.25
assign ( resid 10 and name cb ) ( resid 1 and name cd ) 3.5 0.25 0.25
assign ( resid 40 and name cb ) ( resid 1 and name cd ) 3.5 0.25 0.25
assign ( resid 43 and name cb ) ( resid 1 and name cd ) 3.5 0.25 0.25
REMARKS known (???) hbonds in the beta sheet
REMARKS region of the cterm rubredoxin
REMARKS note that more hbonds can be added as
REMARKS structure developes
assign (resid 5 and name hn) (resid 14 and name o) 1.95 0.25 0.25
assign (resid 5 and name n) (resid 14 and name o) 2.95 0.25 0.25
assign (resid 14 and name hn) (resid 5 and name o) 1.95 0.25 0.25
assign (resid 14 and name n) (resid 5 and name o) 2.95 0.25 0.25
assign (resid 6 and name hn) (resid 51 and name o) 1.95 0.25 0.25
assign (resid 6 and name n) (resid 51 and name o) 2.95 0.25 0.25
assign (resid 51 and name hn) (resid 6 and name o) 1.95 0.25 0.25
assign (resid 51 and name n) (resid 6 and name o) 2.95 0.25 0.25
assign (resid 7 and name hn) (resid 12 and name o) 1.95 0.25 0.25
assign (resid 7 and name n) (resid 12 and name o) 2.95 0.25 0.25
assign (resid 8 and name hn) (resid 49 and name o) 1.95 0.25 0.25
assign (resid 8 and name n) (resid 49 and name o) 2.95 0.25 0.25
assign (resid 50 and name hn) (resid 47 and name o) 1.95 0.25 0.25
assign (resid 50 and name n) (resid 47 and name o) 2.95 0.25 0.25
ASSI { 13}
( segid " 1SG" and resid 53 and name HD% )
(( segid " 1SG" and resid 53 and name HB2 ))
2.600 0.800 0.800 peak 13 weight 0.10000E+01 volume 0.13900E+06 ppm1 6.873 ppm2 2.482
ASSI { 27}
(( segid " 1SG" and resid 51 and name HN ))
(( segid " 1SG" and resid 51 and name HA ))
2.600 0.800 0.800 peak 27 weight 0.10000E+01 volume 0.13700E+06 ppm1 9.197 ppm2 4.987
ASSI { 47}
(( segid " 1SG" and resid 25 and name HN ))
(( segid " 1SG" and resid 24 and name HN ))
2.500 0.800 0.800 peak 47 weight 0.10000E+01 volume 0.17400E+06 ppm1 7.635 ppm2 7.521
ASSI { 48}
( segid " 1SG" and resid 25 and name HD% )
(( segid " 1SG" and resid 25 and name HB2 ))
2.400 0.700 0.700 peak 48 weight 0.10000E+01 volume 0.22800E+06 ppm1 6.897 ppm2 2.899
ASSI { 54}
(( segid " 1SG" and resid 25 and name HZ ))
( segid " 1SG" and resid 25 and name HE% )
2.000 0.500 0.500 peak 54 weight 0.10000E+01 volume 0.81600E+06 ppm1 6.572 ppm2 6.688
ASSI { 60}
(( segid " 1SG" and resid 38 and name HN ))
(( segid " 1SG" and resid 38 and name HA ))
2.600 0.800 0.800 peak 60 weight 0.10000E+01 volume 0.14200E+06 ppm1 7.716 ppm2 4.227
ASSI { 66}
(( segid " 1SG" and resid 38 and name HD1 ))
(( segid " 1SG" and resid 38 and name HB1 ))
2.300 0.700 0.700 peak 66 weight 0.10000E+01 volume 0.32100E+06 ppm1 7.387 ppm2 3.108
ASSI { 73}
(( segid " 1SG" and resid 38 and name HH2 ))
(( segid " 1SG" and resid 38 and name HZ2 ))
2.500 0.800 0.800 peak 73 weight 0.10000E+01 volume 0.17500E+06 ppm1 6.872 ppm2 7.109
ASSI { 76}
(( segid " 1SG" and resid 37 and name HN ))
(( segid " 1SG" and resid 37 and name HA ))
2.400 0.700 0.700 peak 76 weight 0.10000E+01 volume 0.22600E+06 ppm1 8.186 ppm2 4.574
ASSI { 78}
(( segid " 1SG" and resid 37 and name HN ))
(( segid " 1SG" and resid 37 and name HB2 ))
2.600 0.800 0.800 peak 78 weight 0.10000E+01 volume 0.15600E+06 ppm1 8.186 ppm2 2.560
ASSI { 79}
(( segid " 1SG" and resid 19 and name HN ))
(( segid " 1SG" and resid 18 and name HN ))
2.200 0.600 0.600 peak 79 weight 0.10000E+01 volume 0.37600E+06 ppm1 8.172 ppm2 6.806
ASSI { 80}
(( segid " 1SG" and resid 19 and name HN ))
(( segid " 1SG" and resid 19 and name HA1 ))
2.400 0.700 0.700 peak 80 weight 0.10000E+01 volume 0.26600E+06 ppm1 8.172 ppm2 3.922
ASSI { 81}
(( segid " 1SG" and resid 19 and name HN ))
(( segid " 1SG" and resid 19 and name HA2 ))
2.600 0.800 0.800 peak 81 weight 0.10000E+01 volume 0.14500E+06 ppm1 8.172 ppm2 3.669
ASSI { 87}
(( segid " 1SG" and resid 18 and name HN ))
(( segid " 1SG" and resid 18 and name HA ))
2.600 0.800 0.800 peak 87 weight 0.10000E+01 volume 0.14200E+06 ppm1 6.806 ppm2 4.248
ASSI { 105}
(( segid " 1SG" and resid 15 and name HN ))
(( segid " 1SG" and resid 15 and name HA ))
2.200 2.200 2.300 peak 105 weight 0.10000E+01 volume 0.47000E+06 ppm1 8.676 ppm2 4.789
ASSI { 120}
(( segid " 1SG" and resid 13 and name HN ))
(( segid " 1SG" and resid 13 and name HG11))
5.500 3.800 0.000 peak 120 weight 0.10000E+01 volume 0.78100E+03 ppm1 7.727 ppm2 1.613
ASSI { 131}
(( segid " 1SG" and resid 11 and name HN ))
(( segid " 1SG" and resid 11 and name HA1 ))
2.400 0.700 0.700 peak 131 weight 0.10000E+01 volume 0.27100E+06 ppm1 8.092 ppm2 4.211
ASSI { 145}
(( segid " 1SG" and resid 9 and name HN ))
(( segid " 1SG" and resid 8 and name HN ))
2.200 0.600 0.600 peak 145 weight 0.10000E+01 volume 0.39100E+06 ppm1 9.285 ppm2 9.161
ASSI { 181}
(( segid " 1SG" and resid 5 and name HH2 ))
(( segid " 1SG" and resid 5 and name HZ2 ))
2.200 0.600 0.600 peak 181 weight 0.10000E+01 volume 0.37000E+06 ppm1 7.171 ppm2 7.524
ASSI { 183}
(( segid " 1SG" and resid 5 and name HH2 ))
(( segid " 1SG" and resid 5 and name HZ3 ))
2.000 0.500 0.500 peak 183 weight 0.10000E+01 volume 0.66800E+06 ppm1 7.171 ppm2 6.981
ASSI { 186}
(( segid " 1SG" and resid 4 and name HN ))
(( segid " 1SG" and resid 3 and name HA ))
2.000 0.500 0.500 peak 186 weight 0.10000E+01 volume 0.75300E+06 ppm1 7.975 ppm2 4.584
ASSI { 191}
(( segid " 1SG" and resid 2 and name HN ))
(( segid " 1SG" and resid 2 and name HA ))
1.400 1.400 3.100 peak 191 weight 0.10000E+01 volume 0.72000E+07 ppm1 8.381 ppm2 4.795
ASSI { 206}
(( segid " 1SG" and resid 43 and name HN ))
(( segid " 1SG" and resid 43 and name HB1 ))
3.200 1.300 1.300 peak 206 weight 0.10000E+01 volume 0.46100E+05 ppm1 7.346 ppm2 3.293
ASSI { 213}
(( segid " 1SG" and resid 44 and name HN ))
(( segid " 1SG" and resid 45 and name HN ))
2.600 0.800 0.800 peak 213 weight 0.10000E+01 volume 0.13900E+06 ppm1 7.910 ppm2 9.177
ASSI { 219}
(( segid " 1SG" and resid 46 and name HN ))
(( segid " 1SG" and resid 45 and name HA ))
2.100 0.600 0.600 peak 219 weight 0.10000E+01 volume 0.58900E+06 ppm1 8.159 ppm2 4.227
ASSI { 236}
(( segid " 1SG" and resid 49 and name HN ))
(( segid " 1SG" and resid 50 and name HN ))
2.000 0.500 0.500 peak 236 weight 0.10000E+01 volume 0.76800E+06 ppm1 8.063 ppm2 7.926
ASSI { 241}
(( segid " 1SG" and resid 33 and name HN ))
(( segid " 1SG" and resid 34 and name HN ))
2.200 0.600 0.600 peak 241 weight 0.10000E+01 volume 0.41400E+06 ppm1 7.395 ppm2 6.710
ASSI { 254}
(( segid " 1SG" and resid 32 and name HN ))
(( segid " 1SG" and resid 32 and name HA ))
2.600 0.800 0.800 peak 254 weight 0.10000E+01 volume 0.14000E+06 ppm1 9.136 ppm2 3.799
ASSI { 268}
(( segid " 1SG" and resid 29 and name HN ))
(( segid " 1SG" and resid 29 and name HB ))
2.200 0.600 0.600 peak 268 weight 0.10000E+01 volume 0.38200E+06 ppm1 7.382 ppm2 4.095
OR { 268}
(( segid " 1SG" and resid 29 and name HN ))
(( segid " 1SG" and resid 29 and name HA ))
ASSI { 277}
(( segid " 1SG" and resid 28 and name HN ))
(( segid " 1SG" and resid 28 and name HA2 ))
2.200 0.600 0.600 peak 277 weight 0.10000E+01 volume 0.38600E+06 ppm1 7.966 ppm2 3.127
ASSI { 278}
(( segid " 1SG" and resid 28 and name HN ))
(( segid " 1SG" and resid 27 and name HA ))
2.200 0.600 0.600 peak 278 weight 0.10000E+01 volume 0.40100E+06 ppm1 7.966 ppm2 3.562
ASSI { 281}
(( segid " 1SG" and resid 39 and name HN ))
(( segid " 1SG" and resid 38 and name HA ))
2.200 0.600 0.600 peak 281 weight 0.10000E+01 volume 0.39600E+06 ppm1 6.922 ppm2 4.227
ASSI { 292}
(( segid " 1SG" and resid 16 and name HN ))
(( segid " 1SG" and resid 15 and name HB2 ))
5.500 3.800 0.000 peak 292 weight 0.10000E+01 volume 0.42000E+03 ppm1 8.500 ppm2 2.143
ASSI { 298}
(( segid " 1SG" and resid 21 and name HN ))
(( segid " 1SG" and resid 20 and name HA ))
2.000 0.500 0.500 peak 298 weight 0.10000E+01 volume 0.69900E+06 ppm1 9.281 ppm2 4.774
ASSI { 303}
(( segid " 1SG" and resid 22 and name HN ))
( segid " 1SG" and resid 22 and name HB% )
2.200 0.600 0.600 peak 303 weight 0.10000E+01 volume 0.40300E+06 ppm1 8.386 ppm2 1.594
ASSI { 306}
(( segid " 1SG" and resid 23 and name HN ))
(( segid " 1SG" and resid 23 and name HA ))
2.500 0.800 0.800 peak 306 weight 0.10000E+01 volume 0.18400E+06 ppm1 7.375 ppm2 4.070
ASSI { 319}
(( segid " 1SG" and resid 54 and name HN ))
(( segid " 1SG" and resid 53 and name HB1 ))
5.500 3.800 0.000 peak 319 weight 0.10000E+01 volume 0.70700E+03 ppm1 7.818 ppm2 2.595
ASSI { 320}
(( segid " 1SG" and resid 54 and name HN ))
(( segid " 1SG" and resid 53 and name HB2 ))
5.500 3.800 0.000 peak 320 weight 0.10000E+01 volume 0.11300E+04 ppm1 7.821 ppm2 2.484
ASSI { 349}
( segid " 1SG" and resid 53 and name HD% )
(( segid " 1SG" and resid 6 and name HG12))
2.600 0.800 0.800 peak 349 weight 0.10000E+01 volume 0.14000E+06 ppm1 6.873 ppm2 0.613
ASSI { 354}
(( segid " 1SG" and resid 18 and name HN ))
(( segid " 1SG" and resid 18 and name HB2 ))
3.000 1.100 1.100 peak 354 weight 0.10000E+01 volume 0.63900E+05 ppm1 6.809 ppm2 1.518
ASSI { 355}
( segid " 1SG" and resid 2 and name HD% )
( segid " 1SG" and resid 2 and name HE% )
1.900 0.500 0.500 peak 355 weight 0.10000E+01 volume 0.87000E+06 ppm1 7.201 ppm2 6.800
ASSI { 357}
(( segid " 1SG" and resid 4 and name HN ))
(( segid " 1SG" and resid 4 and name HB2 ))
2.600 2.600 1.900 peak 357 weight 0.10000E+01 volume 0.14000E+06 ppm1 7.975 ppm2 1.594
ASSI { 363}
(( segid " 1SG" and resid 26 and name HN ))
(( segid " 1SG" and resid 26 and name HA ))
2.600 0.800 0.800 peak 363 weight 0.10000E+01 volume 0.13800E+06 ppm1 8.310 ppm2 4.080
ASSI { 366}
(( segid " 1SG" and resid 26 and name HN ))
(( segid " 1SG" and resid 25 and name HB2 ))
3.800 1.800 1.700 peak 366 weight 0.10000E+01 volume 0.14800E+05 ppm1 8.310 ppm2 2.895
ASSI { 367}
(( segid " 1SG" and resid 26 and name HN ))
(( segid " 1SG" and resid 26 and name HB ))
1.800 0.400 0.400 peak 367 weight 0.10000E+01 volume 0.12600E+07 ppm1 8.310 ppm2 4.241
ASSI { 369}
(( segid " 1SG" and resid 32 and name HN ))
(( segid " 1SG" and resid 30 and name HB2 ))
5.500 3.800 0.000 peak 369 weight 0.10000E+01 volume 0.11700E+04 ppm1 9.137 ppm2 1.724
ASSI { 370}
(( segid " 1SG" and resid 33 and name HN ))
(( segid " 1SG" and resid 30 and name HB2 ))
5.100 3.300 0.400 peak 370 weight 0.10000E+01 volume 0.25900E+04 ppm1 7.398 ppm2 1.723
ASSI { 371}
(( segid " 1SG" and resid 33 and name HN ))
(( segid " 1SG" and resid 32 and name HB1 ))
3.100 1.200 1.200 peak 371 weight 0.10000E+01 volume 0.52400E+05 ppm1 7.395 ppm2 1.915
ASSI { 380}
(( segid " 1SG" and resid 8 and name HN ))
(( segid " 1SG" and resid 8 and name HG12))
3.200 1.300 1.300 peak 380 weight 0.10000E+01 volume 0.43100E+05 ppm1 9.161 ppm2 1.456
ASSI { 1}
(( segid " 1SG" and resid 38 and name HD1 ))
(( segid " 1SG" and resid 38 and name HE1 ))
2.200 0.600 0.600 peak 1 weight 0.10000E+01 volume 0.31100E+06 ppm1 7.389 ppm2 10.605
ASSI { 4}
( segid " 1SG" and resid 25 and name HE% )
(( segid " 1SG" and resid 38 and name HE1 ))
2.800 1.000 1.000 peak 4 weight 0.10000E+01 volume 0.66200E+05 ppm1 6.692 ppm2 10.606
ASSI { 5}
(( segid " 1SG" and resid 25 and name HZ ))
(( segid " 1SG" and resid 38 and name HE1 ))
3.000 1.100 1.100 peak 5 weight 0.10000E+01 volume 0.39700E+05 ppm1 6.571 ppm2 10.602
ASSI { 6}
(( segid " 1SG" and resid 19 and name HA2 ))
(( segid " 1SG" and resid 38 and name HE1 ))
5.500 3.800 0.000 peak 6 weight 0.10000E+01 volume 0.11700E+04 ppm1 3.668 ppm2 10.605
ASSI { 8}
(( segid " 1SG" and resid 23 and name HB1 ))
(( segid " 1SG" and resid 38 and name HE1 ))
5.500 3.800 0.000 peak 8 weight 0.10000E+01 volume 0.30300E+03 ppm1 1.949 ppm2 10.602
ASSI { 9}
(( segid " 1SG" and resid 53 and name HB1 ))
(( segid " 1SG" and resid 6 and name HN ))
3.900 1.900 1.600 peak 9 weight 0.10000E+01 volume 0.89900E+04 ppm1 2.597 ppm2 10.145
ASSI { 10}
(( segid " 1SG" and resid 14 and name HN ))
(( segid " 1SG" and resid 6 and name HN ))
3.700 1.700 1.700 peak 10 weight 0.10000E+01 volume 0.12300E+05 ppm1 9.758 ppm2 10.137
ASSI { 11}
(( segid " 1SG" and resid 5 and name HN ))
(( segid " 1SG" and resid 6 and name HN ))
3.500 1.500 1.500 peak 11 weight 0.10000E+01 volume 0.15900E+05 ppm1 9.296 ppm2 10.141
ASSI { 12}
(( segid " 1SG" and resid 51 and name HN ))
(( segid " 1SG" and resid 6 and name HN ))
2.400 0.700 0.700 peak 12 weight 0.10000E+01 volume 0.14500E+06 ppm1 9.197 ppm2 10.139
ASSI { 13}
(( segid " 1SG" and resid 53 and name HN ))
(( segid " 1SG" and resid 6 and name HN ))
3.000 1.100 1.100 peak 13 weight 0.10000E+01 volume 0.40800E+05 ppm1 8.725 ppm2 10.139
ASSI { 14}
( segid " 1SG" and resid 50 and name HD% )
(( segid " 1SG" and resid 6 and name HN ))
3.000 1.100 1.100 peak 14 weight 0.10000E+01 volume 0.42200E+05 ppm1 7.136 ppm2 10.139
ASSI { 20}
(( segid " 1SG" and resid 5 and name HB2 ))
(( segid " 1SG" and resid 6 and name HN ))
3.200 1.300 1.300 peak 20 weight 0.10000E+01 volume 0.27800E+05 ppm1 2.790 ppm2 10.140
ASSI { 22}
(( segid " 1SG" and resid 6 and name HB ))
(( segid " 1SG" and resid 6 and name HN ))
4.900 3.000 0.600 peak 22 weight 0.10000E+01 volume 0.23400E+04 ppm1 1.200 ppm2 10.138
ASSI { 25}
(( segid " 1SG" and resid 13 and name HG12))
(( segid " 1SG" and resid 6 and name HN ))
5.300 3.500 0.200 peak 25 weight 0.10000E+01 volume 0.13800E+04 ppm1 0.496 ppm2 10.137
ASSI { 29}
(( segid " 1SG" and resid 5 and name HD1 ))
(( segid " 1SG" and resid 31 and name HN ))
3.300 1.400 1.400 peak 29 weight 0.10000E+01 volume 0.23700E+05 ppm1 6.960 ppm2 9.863
ASSI { 30}
( segid " 1SG" and resid 14 and name HE% )
(( segid " 1SG" and resid 31 and name HN ))
3.000 1.100 1.100 peak 30 weight 0.10000E+01 volume 0.44800E+05 ppm1 6.522 ppm2 9.862
ASSI { 37}
(( segid " 1SG" and resid 31 and name HB2 ))
(( segid " 1SG" and resid 31 and name HN ))
2.600 0.800 0.800 peak 37 weight 0.10000E+01 volume 0.93200E+05 ppm1 1.964 ppm2 9.862
ASSI { 38}
( segid " 1SG" and resid 34 and name HD1%)
(( segid " 1SG" and resid 31 and name HN ))
4.000 2.000 1.500 peak 38 weight 0.10000E+01 volume 0.74300E+04 ppm1 -1.221 ppm2 9.866
ASSI { 39}
(( segid " 1SG" and resid 30 and name HN ))
(( segid " 1SG" and resid 31 and name HN ))
3.900 1.900 1.600 peak 39 weight 0.10000E+01 volume 0.96000E+04 ppm1 9.327 ppm2 9.860
ASSI { 43}
(( segid " 1SG" and resid 30 and name HB2 ))
(( segid " 1SG" and resid 31 and name HN ))
5.500 3.800 0.000 peak 43 weight 0.10000E+01 volume 0.57100E+03 ppm1 1.715 ppm2 9.860
ASSI { 49}
(( segid " 1SG" and resid 5 and name HN ))
(( segid " 1SG" and resid 14 and name HN ))
2.600 0.800 0.800 peak 49 weight 0.10000E+01 volume 0.98300E+05 ppm1 9.300 ppm2 9.758
ASSI { 55}
(( segid " 1SG" and resid 31 and name HN ))
(( segid " 1SG" and resid 5 and name HE1 ))
2.400 0.700 0.700 peak 55 weight 0.10000E+01 volume 0.16200E+06 ppm1 9.860 ppm2 9.719
ASSI { 58}
(( segid " 1SG" and resid 5 and name HZ2 ))
(( segid " 1SG" and resid 5 and name HE1 ))
2.400 0.700 0.700 peak 58 weight 0.10000E+01 volume 0.15000E+06 ppm1 7.522 ppm2 9.714
ASSI { 59}
(( segid " 1SG" and resid 5 and name HD1 ))
(( segid " 1SG" and resid 5 and name HE1 ))
2.200 0.600 0.600 peak 59 weight 0.10000E+01 volume 0.25300E+06 ppm1 6.960 ppm2 9.715
ASSI { 60}
( segid " 1SG" and resid 14 and name HE% )
(( segid " 1SG" and resid 5 and name HE1 ))
3.600 1.600 1.600 peak 60 weight 0.10000E+01 volume 0.14800E+05 ppm1 6.525 ppm2 9.717
ASSI { 62}
(( segid " 1SG" and resid 31 and name HA ))
(( segid " 1SG" and resid 5 and name HE1 ))
4.800 2.900 0.700 peak 62 weight 0.10000E+01 volume 0.24500E+04 ppm1 3.362 ppm2 9.713
ASSI { 64}
(( segid " 1SG" and resid 31 and name HB1 ))
(( segid " 1SG" and resid 5 and name HE1 ))
2.700 0.900 0.900 peak 64 weight 0.10000E+01 volume 0.87400E+05 ppm1 2.470 ppm2 9.714
ASSI { 66}
(( segid " 1SG" and resid 3 and name HB1 ))
(( segid " 1SG" and resid 5 and name HE1 ))
2.600 0.800 0.800 peak 66 weight 0.10000E+01 volume 0.10000E+06 ppm1 1.760 ppm2 9.714
ASSI { 70}
(( segid " 1SG" and resid 29 and name HG1 ))
(( segid " 1SG" and resid 30 and name HN ))
3.800 1.800 1.700 peak 70 weight 0.10000E+01 volume 0.99400E+04 ppm1 6.433 ppm2 9.340
ASSI { 72}
( segid " 1SG" and resid 29 and name HG2%)
(( segid " 1SG" and resid 30 and name HN ))
2.900 1.100 1.100 peak 72 weight 0.10000E+01 volume 0.48000E+05 ppm1 0.824 ppm2 9.331
ASSI { 76}
(( segid " 1SG" and resid 33 and name HB2 ))
(( segid " 1SG" and resid 30 and name HN ))
3.200 1.300 1.300 peak 76 weight 0.10000E+01 volume 0.27800E+05 ppm1 2.500 ppm2 9.323
ASSI { 83}
(( segid " 1SG" and resid 4 and name HN ))
(( segid " 1SG" and resid 5 and name HN ))
4.100 2.100 1.400 peak 83 weight 0.10000E+01 volume 0.69200E+04 ppm1 7.974 ppm2 9.306
ASSI { 84}
( segid " 1SG" and resid 14 and name HD% )
(( segid " 1SG" and resid 5 and name HN ))
3.500 1.500 1.500 peak 84 weight 0.10000E+01 volume 0.16200E+05 ppm1 7.168 ppm2 9.303
ASSI { 85}
(( segid " 1SG" and resid 5 and name HD1 ))
(( segid " 1SG" and resid 5 and name HN ))
2.600 0.800 0.800 peak 85 weight 0.10000E+01 volume 0.10100E+06 ppm1 6.960 ppm2 9.302
ASSI { 89}
( segid " 1SG" and resid 13 and name HG2%)
(( segid " 1SG" and resid 5 and name HN ))
3.000 1.100 1.100 peak 89 weight 0.10000E+01 volume 0.39500E+05 ppm1 0.642 ppm2 9.303
ASSI { 92}
(( segid " 1SG" and resid 22 and name HN ))
(( segid " 1SG" and resid 21 and name HN ))
2.600 0.800 0.800 peak 92 weight 0.10000E+01 volume 0.10000E+06 ppm1 8.386 ppm2 9.283
ASSI { 93}
(( segid " 1SG" and resid 11 and name HN ))
(( segid " 1SG" and resid 9 and name HN ))
3.400 1.400 1.400 peak 93 weight 0.10000E+01 volume 0.19400E+05 ppm1 8.094 ppm2 9.288
ASSI { 98}
(( segid " 1SG" and resid 21 and name HB1 ))
(( segid " 1SG" and resid 21 and name HN ))
2.200 0.600 0.600 peak 98 weight 0.10000E+01 volume 0.29400E+06 ppm1 2.095 ppm2 9.287
ASSI { 106}
( segid " 1SG" and resid 50 and name HD% )
(( segid " 1SG" and resid 51 and name HN ))
2.900 1.100 1.100 peak 106 weight 0.10000E+01 volume 0.48100E+05 ppm1 7.134 ppm2 9.191
ASSI { 112}
(( segid " 1SG" and resid 43 and name HN ))
(( segid " 1SG" and resid 45 and name HN ))
3.200 1.300 1.300 peak 112 weight 0.10000E+01 volume 0.29400E+05 ppm1 7.351 ppm2 9.170
ASSI { 114}
(( segid " 1SG" and resid 7 and name HA ))
(( segid " 1SG" and resid 8 and name HN ))
2.100 0.600 0.600 peak 114 weight 0.10000E+01 volume 0.32100E+06 ppm1 3.519 ppm2 9.164
ASSI { 115}
( segid " 1SG" and resid 45 and name HB% )
(( segid " 1SG" and resid 45 and name HN ))
2.100 0.600 0.600 peak 115 weight 0.10000E+01 volume 0.31900E+06 ppm1 1.589 ppm2 9.174
ASSI { 117}
( segid " 1SG" and resid 8 and name HG2%)
(( segid " 1SG" and resid 8 and name HN ))
2.300 0.700 0.700 peak 117 weight 0.10000E+01 volume 0.21000E+06 ppm1 1.049 ppm2 9.167
ASSI { 119}
(( segid " 1SG" and resid 10 and name HN ))
(( segid " 1SG" and resid 8 and name HN ))
3.900 1.900 1.600 peak 119 weight 0.10000E+01 volume 0.82700E+04 ppm1 8.644 ppm2 9.162
ASSI { 123}
(( segid " 1SG" and resid 19 and name HN ))
(( segid " 1SG" and resid 20 and name HN ))
3.100 1.200 1.200 peak 123 weight 0.10000E+01 volume 0.37500E+05 ppm1 8.166 ppm2 9.146
ASSI { 125}
(( segid " 1SG" and resid 33 and name HN ))
(( segid " 1SG" and resid 32 and name HN ))
2.600 0.800 0.800 peak 125 weight 0.10000E+01 volume 0.10500E+06 ppm1 7.395 ppm2 9.137
ASSI { 126}
( segid " 1SG" and resid 25 and name HD% )
(( segid " 1SG" and resid 20 and name HN ))
3.500 1.500 1.500 peak 126 weight 0.10000E+01 volume 0.15900E+05 ppm1 6.902 ppm2 9.134
ASSI { 136}
( segid " 1SG" and resid 14 and name HE% )
(( segid " 1SG" and resid 20 and name HN ))
3.500 1.500 1.500 peak 136 weight 0.10000E+01 volume 0.18000E+05 ppm1 6.521 ppm2 9.129
ASSI { 139}
(( segid " 1SG" and resid 10 and name HN ))
(( segid " 1SG" and resid 12 and name HN ))
3.200 1.300 1.300 peak 139 weight 0.10000E+01 volume 0.30000E+05 ppm1 8.647 ppm2 9.060
ASSI { 141}
(( segid " 1SG" and resid 11 and name HN ))
(( segid " 1SG" and resid 12 and name HN ))
2.600 0.800 0.800 peak 141 weight 0.10000E+01 volume 0.10800E+06 ppm1 8.093 ppm2 9.061
ASSI { 146}
(( segid " 1SG" and resid 7 and name HB2 ))
(( segid " 1SG" and resid 12 and name HN ))
3.100 1.200 1.200 peak 146 weight 0.10000E+01 volume 0.36700E+05 ppm1 2.355 ppm2 9.061
ASSI { 147}
(( segid " 1SG" and resid 5 and name HE1 ))
(( segid " 1SG" and resid 3 and name HN ))
3.700 1.700 1.700 peak 147 weight 0.10000E+01 volume 0.12200E+05 ppm1 9.713 ppm2 8.988
ASSI { 151}
( segid " 1SG" and resid 2 and name HD% )
(( segid " 1SG" and resid 3 and name HN ))
2.700 0.900 0.900 peak 151 weight 0.10000E+01 volume 0.82800E+05 ppm1 7.198 ppm2 8.987
ASSI { 153}
(( segid " 1SG" and resid 16 and name HB1 ))
(( segid " 1SG" and resid 3 and name HN ))
2.700 0.900 0.900 peak 153 weight 0.10000E+01 volume 0.76100E+05 ppm1 2.484 ppm2 8.986
ASSI { 155}
(( segid " 1SG" and resid 3 and name HB1 ))
(( segid " 1SG" and resid 3 and name HN ))
2.200 0.600 0.600 peak 155 weight 0.10000E+01 volume 0.25000E+06 ppm1 1.763 ppm2 8.987
ASSI { 158}
(( segid " 1SG" and resid 3 and name HG ))
(( segid " 1SG" and resid 3 and name HN ))
5.400 3.600 0.100 peak 158 weight 0.10000E+01 volume 0.13200E+04 ppm1 0.780 ppm2 8.986
ASSI { 163}
(( segid " 1SG" and resid 4 and name HN ))
(( segid " 1SG" and resid 53 and name HN ))
5.500 3.800 0.000 peak 163 weight 0.10000E+01 volume 0.69900E+03 ppm1 7.971 ppm2 8.723
ASSI { 164}
(( segid " 1SG" and resid 54 and name HN ))
(( segid " 1SG" and resid 53 and name HN ))
3.300 1.400 1.400 peak 164 weight 0.10000E+01 volume 0.23400E+05 ppm1 7.819 ppm2 8.729
ASSI { 165}
( segid " 1SG" and resid 53 and name HD% )
(( segid " 1SG" and resid 53 and name HN ))
3.800 1.800 1.700 peak 165 weight 0.10000E+01 volume 0.96500E+04 ppm1 6.882 ppm2 8.715
ASSI { 168}
(( segid " 1SG" and resid 53 and name HB2 ))
(( segid " 1SG" and resid 53 and name HN ))
2.400 0.700 0.700 peak 168 weight 0.10000E+01 volume 0.16800E+06 ppm1 2.482 ppm2 8.723
ASSI { 170}
(( segid " 1SG" and resid 52 and name HG ))
(( segid " 1SG" and resid 53 and name HN ))
3.700 1.700 1.700 peak 170 weight 0.10000E+01 volume 0.12400E+05 ppm1 0.959 ppm2 8.724
ASSI { 171}
( segid " 1SG" and resid 52 and name HD1%)
(( segid " 1SG" and resid 53 and name HN ))
2.800 1.000 1.000 peak 171 weight 0.10000E+01 volume 0.60600E+05 ppm1 0.404 ppm2 8.726
ASSI { 174}
( segid " 1SG" and resid 14 and name HE% )
(( segid " 1SG" and resid 14 and name HH ))
2.200 0.600 0.600 peak 174 weight 0.10000E+01 volume 0.24200E+06 ppm1 6.521 ppm2 8.685
ASSI { 175}
(( segid " 1SG" and resid 29 and name HG1 ))
(( segid " 1SG" and resid 14 and name HH ))
3.400 1.400 1.400 peak 175 weight 0.10000E+01 volume 0.18900E+05 ppm1 6.433 ppm2 8.686
ASSI { 178}
(( segid " 1SG" and resid 14 and name HN ))
(( segid " 1SG" and resid 15 and name HN ))
4.200 2.200 1.300 peak 178 weight 0.10000E+01 volume 0.53500E+04 ppm1 9.757 ppm2 8.678
ASSI { 181}
( segid " 1SG" and resid 14 and name HD% )
(( segid " 1SG" and resid 15 and name HN ))
2.700 0.900 0.900 peak 181 weight 0.10000E+01 volume 0.87700E+05 ppm1 7.171 ppm2 8.679
ASSI { 186}
(( segid " 1SG" and resid 15 and name HB2 ))
(( segid " 1SG" and resid 15 and name HN ))
2.800 1.000 1.000 peak 186 weight 0.10000E+01 volume 0.71700E+05 ppm1 2.154 ppm2 8.679
ASSI { 188}
( segid " 1SG" and resid 13 and name HG2%)
(( segid " 1SG" and resid 15 and name HN ))
3.400 1.400 1.400 peak 188 weight 0.10000E+01 volume 0.21300E+05 ppm1 0.644 ppm2 8.682
ASSI { 189}
(( segid " 1SG" and resid 11 and name HA2 ))
(( segid " 1SG" and resid 10 and name HN ))
5.500 3.800 0.000 peak 189 weight 0.10000E+01 volume 0.16300E+03 ppm1 3.680 ppm2 8.655
ASSI { 193}
(( segid " 1SG" and resid 11 and name HN ))
(( segid " 1SG" and resid 10 and name HN ))
2.200 0.600 0.600 peak 193 weight 0.10000E+01 volume 0.28300E+06 ppm1 8.093 ppm2 8.647
ASSI { 196}
(( segid " 1SG" and resid 7 and name HA ))
(( segid " 1SG" and resid 10 and name HN ))
3.900 1.900 1.600 peak 196 weight 0.10000E+01 volume 0.92500E+04 ppm1 3.507 ppm2 8.646
ASSI { 197}
( segid " 1SG" and resid 9 and name HG2%)
(( segid " 1SG" and resid 10 and name HN ))
3.100 1.200 1.200 peak 197 weight 0.10000E+01 volume 0.32200E+05 ppm1 1.172 ppm2 8.649
ASSI { 198}
(( segid " 1SG" and resid 7 and name HN ))
(( segid " 1SG" and resid 10 and name HN ))
5.500 3.800 0.000 peak 198 weight 0.10000E+01 volume 0.23500E+03 ppm1 8.298 ppm2 8.628
ASSI { 204}
( segid " 1SG" and resid 46 and name HG2%)
(( segid " 1SG" and resid 47 and name HN ))
4.700 2.800 0.800 peak 204 weight 0.10000E+01 volume 0.29500E+04 ppm1 1.329 ppm2 8.597
ASSI { 207}
(( segid " 1SG" and resid 5 and name HE1 ))
(( segid " 1SG" and resid 16 and name HN ))
5.000 3.100 0.500 peak 207 weight 0.10000E+01 volume 0.20700E+04 ppm1 9.715 ppm2 8.510
ASSI { 208}
(( segid " 1SG" and resid 5 and name HN ))
(( segid " 1SG" and resid 16 and name HN ))
4.000 2.000 1.500 peak 208 weight 0.10000E+01 volume 0.80600E+04 ppm1 9.303 ppm2 8.507
ASSI { 211}
(( segid " 1SG" and resid 17 and name HN ))
(( segid " 1SG" and resid 16 and name HN ))
2.600 0.800 0.800 peak 211 weight 0.10000E+01 volume 0.10000E+06 ppm1 8.222 ppm2 8.501
ASSI { 212}
( segid " 1SG" and resid 14 and name HD% )
(( segid " 1SG" and resid 16 and name HN ))
3.400 1.400 1.400 peak 212 weight 0.10000E+01 volume 0.21000E+05 ppm1 7.193 ppm2 8.498
ASSI { 214}
( segid " 1SG" and resid 14 and name HE% )
(( segid " 1SG" and resid 16 and name HN ))
3.400 1.400 1.400 peak 214 weight 0.10000E+01 volume 0.19700E+05 ppm1 6.523 ppm2 8.503
ASSI { 216}
(( segid " 1SG" and resid 16 and name HB1 ))
(( segid " 1SG" and resid 16 and name HN ))
2.600 0.800 0.800 peak 216 weight 0.10000E+01 volume 0.10000E+06 ppm1 2.491 ppm2 8.500
ASSI { 220}
(( segid " 1SG" and resid 16 and name HB2 ))
(( segid " 1SG" and resid 16 and name HN ))
3.200 1.300 1.300 peak 220 weight 0.10000E+01 volume 0.27600E+05 ppm1 1.960 ppm2 8.498
ASSI { 235}
(( segid " 1SG" and resid 21 and name HB1 ))
(( segid " 1SG" and resid 22 and name HN ))
2.500 0.800 0.800 peak 235 weight 0.10000E+01 volume 0.12400E+06 ppm1 2.090 ppm2 8.385
ASSI { 240}
( segid " 1SG" and resid 2 and name HD% )
(( segid " 1SG" and resid 2 and name HN ))
2.800 1.000 1.000 peak 240 weight 0.10000E+01 volume 0.69100E+05 ppm1 7.199 ppm2 8.382
ASSI { 249}
( segid " 1SG" and resid 26 and name HG2%)
(( segid " 1SG" and resid 26 and name HN ))
2.000 0.500 0.500 peak 249 weight 0.10000E+01 volume 0.45900E+06 ppm1 1.295 ppm2 8.320
ASSI { 251}
(( segid " 1SG" and resid 25 and name HN ))
(( segid " 1SG" and resid 26 and name HN ))
5.500 3.800 0.000 peak 251 weight 0.10000E+01 volume 0.37700E+03 ppm1 7.637 ppm2 8.316
ASSI { 257}
(( segid " 1SG" and resid 25 and name HB1 ))
(( segid " 1SG" and resid 26 and name HN ))
4.100 2.100 1.400 peak 257 weight 0.10000E+01 volume 0.62100E+04 ppm1 3.126 ppm2 8.316
ASSI { 266}
(( segid " 1SG" and resid 7 and name HB2 ))
(( segid " 1SG" and resid 7 and name HN ))
2.000 0.500 0.500 peak 266 weight 0.10000E+01 volume 0.48000E+06 ppm1 2.333 ppm2 8.289
ASSI { 268}
( segid " 1SG" and resid 51 and name HG2%)
(( segid " 1SG" and resid 52 and name HN ))
4.300 2.300 1.200 peak 268 weight 0.10000E+01 volume 0.50600E+04 ppm1 0.858 ppm2 8.288
ASSI { 279}
( segid " 1SG" and resid 2 and name HD% )
(( segid " 1SG" and resid 17 and name HN ))
5.500 3.800 0.000 peak 279 weight 0.10000E+01 volume 0.10300E+04 ppm1 7.198 ppm2 8.216
ASSI { 280}
(( segid " 1SG" and resid 17 and name HA ))
(( segid " 1SG" and resid 17 and name HN ))
2.700 0.900 0.900 peak 280 weight 0.10000E+01 volume 0.74400E+05 ppm1 2.963 ppm2 8.208
ASSI { 284}
(( segid " 1SG" and resid 38 and name HN ))
(( segid " 1SG" and resid 37 and name HN ))
2.400 0.700 0.700 peak 284 weight 0.10000E+01 volume 0.16900E+06 ppm1 7.716 ppm2 8.189
ASSI { 294}
( segid " 1SG" and resid 45 and name HB% )
(( segid " 1SG" and resid 46 and name HN ))
2.600 0.800 0.800 peak 294 weight 0.10000E+01 volume 0.11200E+06 ppm1 1.589 ppm2 8.155
ASSI { 295}
( segid " 1SG" and resid 46 and name HG2%)
(( segid " 1SG" and resid 46 and name HN ))
2.400 0.700 0.700 peak 295 weight 0.10000E+01 volume 0.17800E+06 ppm1 1.324 ppm2 8.158
ASSI { 300}
(( segid " 1SG" and resid 8 and name HA ))
(( segid " 1SG" and resid 11 and name HN ))
5.500 3.800 0.000 peak 300 weight 0.10000E+01 volume 0.34200E+03 ppm1 4.035 ppm2 8.092
ASSI { 303}
(( segid " 1SG" and resid 10 and name HB1 ))
(( segid " 1SG" and resid 11 and name HN ))
5.500 3.800 0.000 peak 303 weight 0.10000E+01 volume 0.56500E+03 ppm1 3.426 ppm2 8.085
ASSI { 313}
(( segid " 1SG" and resid 47 and name HB1 ))
(( segid " 1SG" and resid 48 and name HN ))
2.600 0.800 0.800 peak 313 weight 0.10000E+01 volume 0.11000E+06 ppm1 1.991 ppm2 8.054
ASSI { 328}
(( segid " 1SG" and resid 19 and name HN ))
(( segid " 1SG" and resid 28 and name HN ))
3.300 1.400 1.400 peak 328 weight 0.10000E+01 volume 0.25200E+05 ppm1 8.168 ppm2 7.970
ASSI { 329}
(( segid " 1SG" and resid 17 and name HA ))
(( segid " 1SG" and resid 28 and name HN ))
3.000 1.100 1.100 peak 329 weight 0.10000E+01 volume 0.42700E+05 ppm1 2.959 ppm2 7.972
ASSI { 332}
(( segid " 1SG" and resid 3 and name HG ))
(( segid " 1SG" and resid 4 and name HN ))
4.500 2.500 1.000 peak 332 weight 0.10000E+01 volume 0.36500E+04 ppm1 0.774 ppm2 7.981
ASSI { 333}
( segid " 1SG" and resid 52 and name HD1%)
(( segid " 1SG" and resid 4 and name HN ))
5.500 3.800 0.000 peak 333 weight 0.10000E+01 volume 0.75600E+03 ppm1 0.404 ppm2 7.978
ASSI { 340}
(( segid " 1SG" and resid 55 and name HB2 ))
(( segid " 1SG" and resid 55 and name HN ))
2.100 0.600 0.600 peak 340 weight 0.10000E+01 volume 0.35200E+06 ppm1 1.734 ppm2 7.956
ASSI { 341}
(( segid " 1SG" and resid 49 and name HA ))
(( segid " 1SG" and resid 50 and name HN ))
2.900 1.100 1.100 peak 341 weight 0.10000E+01 volume 0.53600E+05 ppm1 4.777 ppm2 7.943
ASSI { 344}
( segid " 1SG" and resid 50 and name HD% )
(( segid " 1SG" and resid 50 and name HN ))
2.500 0.800 0.800 peak 344 weight 0.10000E+01 volume 0.12400E+06 ppm1 7.133 ppm2 7.928
ASSI { 346}
(( segid " 1SG" and resid 31 and name HZ ))
(( segid " 1SG" and resid 50 and name HN ))
5.500 3.800 0.000 peak 346 weight 0.10000E+01 volume 0.47700E+03 ppm1 6.641 ppm2 7.924
ASSI { 349}
(( segid " 1SG" and resid 40 and name HB2 ))
(( segid " 1SG" and resid 44 and name HN ))
2.800 1.000 1.000 peak 349 weight 0.10000E+01 volume 0.65900E+05 ppm1 2.911 ppm2 7.924
ASSI { 358}
( segid " 1SG" and resid 53 and name HD% )
(( segid " 1SG" and resid 54 and name HN ))
3.500 1.500 1.500 peak 358 weight 0.10000E+01 volume 0.17300E+05 ppm1 6.874 ppm2 7.821
ASSI { 365}
(( segid " 1SG" and resid 12 and name HN ))
(( segid " 1SG" and resid 13 and name HN ))
3.500 1.500 1.500 peak 365 weight 0.10000E+01 volume 0.18200E+05 ppm1 9.059 ppm2 7.732
ASSI { 367}
(( segid " 1SG" and resid 13 and name HB ))
(( segid " 1SG" and resid 13 and name HN ))
2.200 0.600 0.600 peak 367 weight 0.10000E+01 volume 0.28500E+06 ppm1 1.447 ppm2 7.730
ASSI { 374}
(( segid " 1SG" and resid 37 and name HB2 ))
(( segid " 1SG" and resid 38 and name HN ))
5.500 3.800 0.000 peak 374 weight 0.10000E+01 volume 0.35700E+03 ppm1 2.571 ppm2 7.711
ASSI { 382}
(( segid " 1SG" and resid 23 and name HN ))
(( segid " 1SG" and resid 25 and name HN ))
3.000 1.100 1.100 peak 382 weight 0.10000E+01 volume 0.47400E+05 ppm1 7.378 ppm2 7.643
ASSI { 388}
(( segid " 1SG" and resid 20 and name HB1 ))
(( segid " 1SG" and resid 25 and name HN ))
3.000 1.100 1.100 peak 388 weight 0.10000E+01 volume 0.44800E+05 ppm1 3.022 ppm2 7.650
ASSI { 394}
(( segid " 1SG" and resid 23 and name HN ))
(( segid " 1SG" and resid 24 and name HN ))
2.400 0.700 0.700 peak 394 weight 0.10000E+01 volume 0.16500E+06 ppm1 7.375 ppm2 7.528
ASSI { 396}
(( segid " 1SG" and resid 5 and name HZ3 ))
(( segid " 1SG" and resid 5 and name HZ2 ))
3.100 1.200 1.200 peak 396 weight 0.10000E+01 volume 0.32400E+05 ppm1 6.972 ppm2 7.521
OR { 396}
(( segid " 1SG" and resid 5 and name HD1 ))
(( segid " 1SG" and resid 5 and name HZ2 ))
ASSI { 398}
(( segid " 1SG" and resid 31 and name HB2 ))
(( segid " 1SG" and resid 5 and name HZ2 ))
5.000 3.100 0.500 peak 398 weight 0.10000E+01 volume 0.19200E+04 ppm1 1.956 ppm2 7.523
ASSI { 405}
(( segid " 1SG" and resid 34 and name HG11))
(( segid " 1SG" and resid 33 and name HN ))
5.500 3.800 0.000 peak 405 weight 0.10000E+01 volume 0.17400E+03 ppm1 0.368 ppm2 7.409
ASSI { 410}
(( segid " 1SG" and resid 25 and name HZ ))
(( segid " 1SG" and resid 38 and name HD1 ))
2.600 0.800 0.800 peak 410 weight 0.10000E+01 volume 0.95300E+05 ppm1 6.572 ppm2 7.391
ASSI { 414}
(( segid " 1SG" and resid 32 and name HB2 ))
(( segid " 1SG" and resid 33 and name HN ))
2.600 0.800 0.800 peak 414 weight 0.10000E+01 volume 0.10600E+06 ppm1 2.144 ppm2 7.396
ASSI { 415}
( segid " 1SG" and resid 22 and name HB% )
(( segid " 1SG" and resid 23 and name HN ))
2.600 0.800 0.800 peak 415 weight 0.10000E+01 volume 0.10900E+06 ppm1 1.585 ppm2 7.389
ASSI { 416}
(( segid " 1SG" and resid 34 and name HB ))
(( segid " 1SG" and resid 33 and name HN ))
4.200 2.200 1.300 peak 416 weight 0.10000E+01 volume 0.58500E+04 ppm1 0.570 ppm2 7.401
ASSI { 419}
(( segid " 1SG" and resid 14 and name HH ))
(( segid " 1SG" and resid 29 and name HN ))
3.200 1.300 1.300 peak 419 weight 0.10000E+01 volume 0.26700E+05 ppm1 8.684 ppm2 7.379
ASSI { 431}
(( segid " 1SG" and resid 23 and name HB2 ))
(( segid " 1SG" and resid 23 and name HN ))
2.400 0.700 0.700 peak 431 weight 0.10000E+01 volume 0.17100E+06 ppm1 1.486 ppm2 7.376
ASSI { 443}
(( segid " 1SG" and resid 16 and name HN ))
( segid " 1SG" and resid 2 and name HD% )
5.500 3.800 0.000 peak 443 weight 0.10000E+01 volume 0.11100E+04 ppm1 8.500 ppm2 7.193
ASSI { 455}
(( segid " 1SG" and resid 5 and name HD1 ))
( segid " 1SG" and resid 14 and name HD% )
1.900 0.500 0.500 peak 455 weight 0.10000E+01 volume 0.63100E+06 ppm1 6.971 ppm2 7.177
ASSI { 461}
( segid " 1SG" and resid 52 and name HD2%)
(( segid " 1SG" and resid 5 and name HH2 ))
5.500 3.800 0.000 peak 461 weight 0.10000E+01 volume 0.56500E+03 ppm1 0.283 ppm2 7.177
ASSI { 473}
(( segid " 1SG" and resid 31 and name HZ ))
( segid " 1SG" and resid 50 and name HD% )
2.800 1.000 1.000 peak 473 weight 0.10000E+01 volume 0.62300E+05 ppm1 6.639 ppm2 7.134
ASSI { 490}
(( segid " 1SG" and resid 52 and name HN ))
(( segid " 1SG" and resid 5 and name HZ3 ))
3.300 1.400 1.400 peak 490 weight 0.10000E+01 volume 0.22300E+05 ppm1 8.285 ppm2 6.982
ASSI { 491}
(( segid " 1SG" and resid 5 and name HZ2 ))
(( segid " 1SG" and resid 5 and name HZ3 ))
4.300 2.300 1.200 peak 491 weight 0.10000E+01 volume 0.50500E+04 ppm1 7.532 ppm2 6.982
ASSI { 494}
(( segid " 1SG" and resid 5 and name HE3 ))
(( segid " 1SG" and resid 5 and name HZ3 ))
2.200 0.600 0.600 peak 494 weight 0.10000E+01 volume 0.25400E+06 ppm1 6.732 ppm2 6.984
ASSI { 495}
( segid " 1SG" and resid 31 and name HE% )
(( segid " 1SG" and resid 5 and name HZ3 ))
3.300 1.400 1.400 peak 495 weight 0.10000E+01 volume 0.22600E+05 ppm1 6.392 ppm2 6.977
OR { 495}
( segid " 1SG" and resid 31 and name HE% )
(( segid " 1SG" and resid 5 and name HD1 ))
ASSI { 496}
(( segid " 1SG" and resid 52 and name HA ))
(( segid " 1SG" and resid 5 and name HZ3 ))
4.600 2.600 0.900 peak 496 weight 0.10000E+01 volume 0.34800E+04 ppm1 3.431 ppm2 6.984
ASSI { 497}
( segid " 1SG" and resid 52 and name HD2%)
(( segid " 1SG" and resid 5 and name HZ3 ))
5.500 3.800 0.000 peak 497 weight 0.10000E+01 volume 0.98000E+03 ppm1 0.288 ppm2 6.985
ASSI { 507}
(( segid " 1SG" and resid 52 and name HB2 ))
(( segid " 1SG" and resid 5 and name HZ3 ))
3.200 1.300 1.300 peak 507 weight 0.10000E+01 volume 0.29700E+05 ppm1 1.086 ppm2 6.964
ASSI { 512}
(( segid " 1SG" and resid 38 and name HE1 ))
(( segid " 1SG" and resid 39 and name HN ))
5.500 3.800 0.000 peak 512 weight 0.10000E+01 volume 0.38900E+03 ppm1 10.606 ppm2 6.921
ASSI { 514}
(( segid " 1SG" and resid 38 and name HD1 ))
(( segid " 1SG" and resid 39 and name HN ))
2.800 1.000 1.000 peak 514 weight 0.10000E+01 volume 0.72200E+05 ppm1 7.389 ppm2 6.922
ASSI { 519}
(( segid " 1SG" and resid 26 and name HN ))
( segid " 1SG" and resid 25 and name HD% )
3.200 1.300 1.300 peak 519 weight 0.10000E+01 volume 0.30700E+05 ppm1 8.311 ppm2 6.902
ASSI { 538}
(( segid " 1SG" and resid 18 and name HB1 ))
(( segid " 1SG" and resid 18 and name HN ))
2.700 0.900 0.900 peak 538 weight 0.10000E+01 volume 0.76800E+05 ppm1 1.699 ppm2 6.809
ASSI { 543}
(( segid " 1SG" and resid 40 and name HB1 ))
( segid " 1SG" and resid 50 and name HE% )
2.400 0.700 0.700 peak 543 weight 0.10000E+01 volume 0.16200E+06 ppm1 3.111 ppm2 6.778
ASSI { 554}
(( segid " 1SG" and resid 5 and name HB1 ))
(( segid " 1SG" and resid 5 and name HE3 ))
2.000 0.500 0.500 peak 554 weight 0.10000E+01 volume 0.50000E+06 ppm1 2.915 ppm2 6.752
ASSI { 559}
(( segid " 1SG" and resid 38 and name HN ))
(( segid " 1SG" and resid 38 and name HE3 ))
4.000 2.000 1.500 peak 559 weight 0.10000E+01 volume 0.79700E+04 ppm1 7.716 ppm2 6.716
ASSI { 563}
(( segid " 1SG" and resid 34 and name HB ))
(( segid " 1SG" and resid 34 and name HN ))
2.000 0.500 0.500 peak 563 weight 0.10000E+01 volume 0.49600E+06 ppm1 0.583 ppm2 6.715
ASSI { 570}
( segid " 1SG" and resid 34 and name HD1%)
( segid " 1SG" and resid 25 and name HE% )
2.500 0.800 0.800 peak 570 weight 0.10000E+01 volume 0.12700E+06 ppm1 -1.233 ppm2 6.704
ASSI { 578}
(( segid " 1SG" and resid 50 and name HB2 ))
(( segid " 1SG" and resid 31 and name HZ ))
3.200 1.300 1.300 peak 578 weight 0.10000E+01 volume 0.31200E+05 ppm1 2.513 ppm2 6.638
ASSI { 582}
( segid " 1SG" and resid 34 and name HG2%)
(( segid " 1SG" and resid 25 and name HZ ))
2.600 0.800 0.800 peak 582 weight 0.10000E+01 volume 0.10100E+06 ppm1 -0.192 ppm2 6.571
ASSI { 584}
( segid " 1SG" and resid 25 and name HD% )
( segid " 1SG" and resid 14 and name HE% )
2.400 0.700 0.700 peak 584 weight 0.10000E+01 volume 0.17700E+06 ppm1 6.900 ppm2 6.533
ASSI { 585}
( segid " 1SG" and resid 34 and name HD1%)
( segid " 1SG" and resid 14 and name HE% )
2.700 0.900 0.900 peak 585 weight 0.10000E+01 volume 0.86800E+05 ppm1 -1.232 ppm2 6.530
ASSI { 591}
(( segid " 1SG" and resid 19 and name HN ))
( segid " 1SG" and resid 14 and name HE% )
4.200 2.200 1.300 peak 591 weight 0.10000E+01 volume 0.57500E+04 ppm1 8.172 ppm2 6.522
ASSI { 593}
( segid " 1SG" and resid 14 and name HD% )
( segid " 1SG" and resid 14 and name HE% )
2.000 0.500 0.500 peak 593 weight 0.10000E+01 volume 0.48900E+06 ppm1 7.171 ppm2 6.522
ASSI { 599}
(( segid " 1SG" and resid 16 and name HB2 ))
( segid " 1SG" and resid 14 and name HE% )
5.500 3.800 0.000 peak 599 weight 0.10000E+01 volume 0.33500E+03 ppm1 1.954 ppm2 6.521
ASSI { 606}
(( segid " 1SG" and resid 29 and name HN ))
(( segid " 1SG" and resid 29 and name HG1 ))
2.400 0.700 0.700 peak 606 weight 0.10000E+01 volume 0.15900E+06 ppm1 7.379 ppm2 6.432
ASSI { 611}
(( segid " 1SG" and resid 50 and name HN ))
( segid " 1SG" and resid 31 and name HE% )
4.100 2.100 1.400 peak 611 weight 0.10000E+01 volume 0.62400E+04 ppm1 7.925 ppm2 6.401
ASSI { 618}
(( segid " 1SG" and resid 50 and name HB2 ))
( segid " 1SG" and resid 31 and name HE% )
3.000 1.100 1.100 peak 618 weight 0.10000E+01 volume 0.46300E+05 ppm1 2.493 ppm2 6.394
ASSI { 619}
( segid " 1SG" and resid 34 and name HG2%)
( segid " 1SG" and resid 31 and name HE% )
4.100 2.100 1.400 peak 619 weight 0.10000E+01 volume 0.67200E+04 ppm1 -0.189 ppm2 6.394
ASSI { 620}
( segid " 1SG" and resid 34 and name HD1%)
( segid " 1SG" and resid 31 and name HE% )
2.900 1.100 1.100 peak 620 weight 0.10000E+01 volume 0.57200E+05 ppm1 -1.230 ppm2 6.394
ASSI { 625}
( segid " 1SG" and resid 50 and name HD% )
(( segid " 1SG" and resid 38 and name HZ3 ))
3.400 1.400 1.400 peak 625 weight 0.10000E+01 volume 0.19900E+05 ppm1 7.122 ppm2 6.086
ASSI { 628}
( segid " 1SG" and resid 31 and name HE% )
(( segid " 1SG" and resid 38 and name HZ3 ))
2.700 0.900 0.900 peak 628 weight 0.10000E+01 volume 0.79000E+05 ppm1 6.391 ppm2 6.085
ASSI { 630}
(( segid " 1SG" and resid 40 and name HA ))
(( segid " 1SG" and resid 38 and name HZ3 ))
3.900 1.900 1.600 peak 630 weight 0.10000E+01 volume 0.88100E+04 ppm1 3.493 ppm2 6.089
ASSI { 631}
( segid " 1SG" and resid 34 and name HG2%)
(( segid " 1SG" and resid 38 and name HZ3 ))
4.400 2.400 1.100 peak 631 weight 0.10000E+01 volume 0.42700E+04 ppm1 -0.187 ppm2 6.085
ASSI { 632}
( segid " 1SG" and resid 34 and name HD1%)
(( segid " 1SG" and resid 38 and name HZ3 ))
4.000 2.000 1.500 peak 632 weight 0.10000E+01 volume 0.73800E+04 ppm1 -1.224 ppm2 6.083
ASSI { 634}
(( segid " 1SG" and resid 31 and name HN ))
( segid " 1SG" and resid 31 and name HD% )
3.000 1.100 1.100 peak 634 weight 0.10000E+01 volume 0.44900E+05 ppm1 9.861 ppm2 5.762
ASSI { 635}
(( segid " 1SG" and resid 5 and name HE1 ))
( segid " 1SG" and resid 31 and name HD% )
3.400 1.400 1.400 peak 635 weight 0.10000E+01 volume 0.21300E+05 ppm1 9.713 ppm2 5.762
ASSI { 636}
(( segid " 1SG" and resid 32 and name HN ))
( segid " 1SG" and resid 31 and name HD% )
4.200 2.200 1.300 peak 636 weight 0.10000E+01 volume 0.54400E+04 ppm1 9.136 ppm2 5.762
ASSI { 637}
(( segid " 1SG" and resid 5 and name HZ2 ))
( segid " 1SG" and resid 31 and name HD% )
3.700 1.700 1.700 peak 637 weight 0.10000E+01 volume 0.11900E+05 ppm1 7.516 ppm2 5.762
ASSI { 639}
(( segid " 1SG" and resid 5 and name HZ3 ))
( segid " 1SG" and resid 31 and name HD% )
3.400 1.400 1.400 peak 639 weight 0.10000E+01 volume 0.20100E+05 ppm1 6.963 ppm2 5.763
OR { 639}
(( segid " 1SG" and resid 5 and name HD1 ))
( segid " 1SG" and resid 31 and name HD% )
ASSI { 640}
(( segid " 1SG" and resid 31 and name HZ ))
( segid " 1SG" and resid 31 and name HD% )
3.000 1.100 1.100 peak 640 weight 0.10000E+01 volume 0.47300E+05 ppm1 6.648 ppm2 5.763
ASSI { 641}
( segid " 1SG" and resid 14 and name HE% )
( segid " 1SG" and resid 31 and name HD% )
3.100 1.200 1.200 peak 641 weight 0.10000E+01 volume 0.35600E+05 ppm1 6.524 ppm2 5.762
ASSI { 642}
( segid " 1SG" and resid 31 and name HE% )
( segid " 1SG" and resid 31 and name HD% )
1.900 0.500 0.500 peak 642 weight 0.10000E+01 volume 0.57000E+06 ppm1 6.391 ppm2 5.763
ASSI { 644}
(( segid " 1SG" and resid 31 and name HA ))
( segid " 1SG" and resid 31 and name HD% )
2.500 0.800 0.800 peak 644 weight 0.10000E+01 volume 0.13500E+06 ppm1 3.364 ppm2 5.762
ASSI { 645}
(( segid " 1SG" and resid 5 and name HB2 ))
( segid " 1SG" and resid 31 and name HD% )
3.500 1.500 1.500 peak 645 weight 0.10000E+01 volume 0.15900E+05 ppm1 2.793 ppm2 5.759
ASSI { 646}
(( segid " 1SG" and resid 31 and name HB1 ))
( segid " 1SG" and resid 31 and name HD% )
2.500 0.800 0.800 peak 646 weight 0.10000E+01 volume 0.14400E+06 ppm1 2.470 ppm2 5.762
ASSI { 647}
(( segid " 1SG" and resid 31 and name HB2 ))
( segid " 1SG" and resid 31 and name HD% )
2.400 0.700 0.700 peak 647 weight 0.10000E+01 volume 0.15800E+06 ppm1 1.963 ppm2 5.762
ASSI { 649}
( segid " 1SG" and resid 34 and name HD1%)
( segid " 1SG" and resid 31 and name HD% )
2.300 0.700 0.700 peak 649 weight 0.10000E+01 volume 0.19300E+06 ppm1 -1.231 ppm2 5.763
ASSI { 655}
(( segid " 1SG" and resid 7 and name HA ))
(( segid " 1SG" and resid 50 and name HA ))
2.400 0.700 0.700 peak 655 weight 0.10000E+01 volume 0.15900E+06 ppm1 3.519 ppm2 5.436
ASSI { 657}
(( segid " 1SG" and resid 50 and name HB2 ))
(( segid " 1SG" and resid 50 and name HA ))
2.800 1.000 1.000 peak 657 weight 0.10000E+01 volume 0.71700E+05 ppm1 2.498 ppm2 5.434
ASSI { 658}
(( segid " 1SG" and resid 6 and name HN ))
(( segid " 1SG" and resid 6 and name HA ))
2.600 0.800 0.800 peak 658 weight 0.10000E+01 volume 0.10500E+06 ppm1 10.138 ppm2 5.403
ASSI { 659}
(( segid " 1SG" and resid 14 and name HN ))
(( segid " 1SG" and resid 6 and name HA ))
2.700 0.900 0.900 peak 659 weight 0.10000E+01 volume 0.87000E+05 ppm1 9.757 ppm2 5.386
ASSI { 663}
(( segid " 1SG" and resid 5 and name HN ))
(( segid " 1SG" and resid 4 and name HA ))
2.000 0.500 0.500 peak 663 weight 0.10000E+01 volume 0.54000E+06 ppm1 9.300 ppm2 5.346
ASSI { 664}
(( segid " 1SG" and resid 26 and name HN ))
(( segid " 1SG" and resid 25 and name HA ))
1.900 0.500 0.500 peak 664 weight 0.10000E+01 volume 0.64400E+06 ppm1 8.309 ppm2 5.355
ASSI { 668}
(( segid " 1SG" and resid 6 and name HA ))
(( segid " 1SG" and resid 13 and name HA ))
3.000 1.100 1.100 peak 668 weight 0.10000E+01 volume 0.41400E+05 ppm1 5.392 ppm2 5.168
ASSI { 670}
(( segid " 1SG" and resid 10 and name HN ))
(( segid " 1SG" and resid 10 and name HA ))
2.600 0.800 0.800 peak 670 weight 0.10000E+01 volume 0.94700E+05 ppm1 8.639 ppm2 5.104
ASSI { 673}
(( segid " 1SG" and resid 6 and name HN ))
(( segid " 1SG" and resid 5 and name HA ))
2.000 0.500 0.500 peak 673 weight 0.10000E+01 volume 0.51100E+06 ppm1 10.137 ppm2 5.061
ASSI { 675}
(( segid " 1SG" and resid 43 and name HN ))
(( segid " 1SG" and resid 43 and name HA ))
2.600 0.800 0.800 peak 675 weight 0.10000E+01 volume 0.10200E+06 ppm1 7.346 ppm2 4.973
ASSI { 676}
(( segid " 1SG" and resid 15 and name HN ))
(( segid " 1SG" and resid 14 and name HA ))
1.800 0.400 0.400 peak 676 weight 0.10000E+01 volume 0.83700E+06 ppm1 8.676 ppm2 4.890
ASSI { 678}
(( segid " 1SG" and resid 46 and name HN ))
(( segid " 1SG" and resid 46 and name HA ))
2.600 0.800 0.800 peak 678 weight 0.10000E+01 volume 0.10300E+06 ppm1 8.158 ppm2 4.678
ASSI { 681}
(( segid " 1SG" and resid 54 and name HN ))
(( segid " 1SG" and resid 53 and name HA ))
1.900 0.500 0.500 peak 681 weight 0.10000E+01 volume 0.58700E+06 ppm1 7.819 ppm2 4.482
ASSI { 688}
(( segid " 1SG" and resid 9 and name HN ))
(( segid " 1SG" and resid 9 and name HB ))
2.200 0.600 0.600 peak 688 weight 0.10000E+01 volume 0.27000E+06 ppm1 9.288 ppm2 4.377
ASSI { 699}
(( segid " 1SG" and resid 38 and name HD1 ))
(( segid " 1SG" and resid 38 and name HA ))
2.500 0.800 0.800 peak 699 weight 0.10000E+01 volume 0.13600E+06 ppm1 7.388 ppm2 4.223
ASSI { 701}
(( segid " 1SG" and resid 38 and name HB2 ))
(( segid " 1SG" and resid 38 and name HA ))
2.600 0.800 0.800 peak 701 weight 0.10000E+01 volume 0.90600E+05 ppm1 2.903 ppm2 4.224
ASSI { 702}
(( segid " 1SG" and resid 44 and name HN ))
(( segid " 1SG" and resid 44 and name HA1 ))
2.400 0.700 0.700 peak 702 weight 0.10000E+01 volume 0.15300E+06 ppm1 7.907 ppm2 4.214
ASSI { 704}
( segid " 1SG" and resid 34 and name HG2%)
(( segid " 1SG" and resid 38 and name HA ))
3.400 1.400 1.400 peak 704 weight 0.10000E+01 volume 0.19700E+05 ppm1 -0.192 ppm2 4.211
ASSI { 707}
(( segid " 1SG" and resid 43 and name HB2 ))
(( segid " 1SG" and resid 44 and name HA1 ))
2.500 2.500 2.000 peak 707 weight 0.10000E+01 volume 0.13400E+06 ppm1 2.560 ppm2 4.199
ASSI { 712}
( segid " 1SG" and resid 9 and name HG2%)
(( segid " 1SG" and resid 9 and name HA ))
1.900 0.500 0.500 peak 712 weight 0.10000E+01 volume 0.58700E+06 ppm1 1.182 ppm2 4.157
ASSI { 714}
(( segid " 1SG" and resid 55 and name HN ))
(( segid " 1SG" and resid 54 and name HA ))
2.000 0.500 0.500 peak 714 weight 0.10000E+01 volume 0.56100E+06 ppm1 7.951 ppm2 4.140
ASSI { 717}
(( segid " 1SG" and resid 14 and name HH ))
(( segid " 1SG" and resid 29 and name HB ))
2.100 0.600 0.600 peak 717 weight 0.10000E+01 volume 0.33200E+06 ppm1 8.684 ppm2 4.087
ASSI { 720}
( segid " 1SG" and resid 29 and name HG2%)
(( segid " 1SG" and resid 29 and name HB ))
1.900 0.500 0.500 peak 720 weight 0.10000E+01 volume 0.57800E+06 ppm1 0.824 ppm2 4.093
OR { 720}
( segid " 1SG" and resid 29 and name HG2%)
(( segid " 1SG" and resid 29 and name HA ))
ASSI { 724}
( segid " 1SG" and resid 14 and name HE% )
(( segid " 1SG" and resid 30 and name HA ))
2.700 0.900 0.900 peak 724 weight 0.10000E+01 volume 0.87400E+05 ppm1 6.521 ppm2 4.066
ASSI { 727}
(( segid " 1SG" and resid 8 and name HN ))
(( segid " 1SG" and resid 8 and name HA ))
2.500 0.800 0.800 peak 727 weight 0.10000E+01 volume 0.13200E+06 ppm1 9.161 ppm2 4.034
ASSI { 733}
(( segid " 1SG" and resid 50 and name HB1 ))
(( segid " 1SG" and resid 47 and name HA ))
3.900 1.900 1.600 peak 733 weight 0.10000E+01 volume 0.85000E+04 ppm1 3.675 ppm2 4.046
ASSI { 734}
(( segid " 1SG" and resid 8 and name HB ))
(( segid " 1SG" and resid 8 and name HA ))
2.100 0.600 0.600 peak 734 weight 0.10000E+01 volume 0.40800E+06 ppm1 2.072 ppm2 4.037
ASSI { 735}
(( segid " 1SG" and resid 47 and name HB2 ))
(( segid " 1SG" and resid 47 and name HA ))
2.200 0.600 0.600 peak 735 weight 0.10000E+01 volume 0.25900E+06 ppm1 1.854 ppm2 4.048
ASSI { 736}
( segid " 1SG" and resid 8 and name HG2%)
(( segid " 1SG" and resid 8 and name HA ))
2.200 0.600 0.600 peak 736 weight 0.10000E+01 volume 0.28100E+06 ppm1 1.048 ppm2 4.034
ASSI { 740}
(( segid " 1SG" and resid 55 and name HN ))
(( segid " 1SG" and resid 55 and name HA ))
2.500 0.800 0.800 peak 740 weight 0.10000E+01 volume 0.13000E+06 ppm1 7.949 ppm2 3.940
ASSI { 741}
(( segid " 1SG" and resid 56 and name HN ))
(( segid " 1SG" and resid 55 and name HA ))
2.200 0.600 0.600 peak 741 weight 0.10000E+01 volume 0.26100E+06 ppm1 7.869 ppm2 3.940
ASSI { 742}
(( segid " 1SG" and resid 55 and name HB1 ))
(( segid " 1SG" and resid 55 and name HA ))
2.800 1.000 1.000 peak 742 weight 0.10000E+01 volume 0.70600E+05 ppm1 1.930 ppm2 3.937
ASSI { 743}
(( segid " 1SG" and resid 21 and name HN ))
(( segid " 1SG" and resid 21 and name HA ))
2.500 0.800 0.800 peak 743 weight 0.10000E+01 volume 0.12400E+06 ppm1 9.281 ppm2 3.925
ASSI { 744}
(( segid " 1SG" and resid 20 and name HN ))
(( segid " 1SG" and resid 19 and name HA1 ))
2.400 0.700 0.700 peak 744 weight 0.10000E+01 volume 0.16100E+06 ppm1 9.130 ppm2 3.921
ASSI { 747}
(( segid " 1SG" and resid 55 and name HB2 ))
(( segid " 1SG" and resid 55 and name HA ))
3.100 1.200 1.200 peak 747 weight 0.10000E+01 volume 0.34600E+05 ppm1 1.728 ppm2 3.928
ASSI { 749}
(( segid " 1SG" and resid 24 and name HN ))
(( segid " 1SG" and resid 24 and name HA1 ))
2.300 0.700 0.700 peak 749 weight 0.10000E+01 volume 0.18800E+06 ppm1 7.527 ppm2 3.902
ASSI { 753}
(( segid " 1SG" and resid 14 and name HH ))
(( segid " 1SG" and resid 16 and name HA ))
2.600 0.800 0.800 peak 753 weight 0.10000E+01 volume 0.11300E+06 ppm1 8.684 ppm2 3.809
ASSI { 754}
(( segid " 1SG" and resid 16 and name HN ))
(( segid " 1SG" and resid 16 and name HA ))
2.600 0.800 0.800 peak 754 weight 0.10000E+01 volume 0.10900E+06 ppm1 8.499 ppm2 3.811
ASSI { 758}
(( segid " 1SG" and resid 16 and name HB1 ))
(( segid " 1SG" and resid 16 and name HA ))
3.000 1.100 1.100 peak 758 weight 0.10000E+01 volume 0.46500E+05 ppm1 2.496 ppm2 3.806
ASSI { 761}
(( segid " 1SG" and resid 34 and name HN ))
(( segid " 1SG" and resid 32 and name HA ))
3.100 1.200 1.200 peak 761 weight 0.10000E+01 volume 0.37800E+05 ppm1 6.707 ppm2 3.793
ASSI { 764}
(( segid " 1SG" and resid 32 and name HB2 ))
(( segid " 1SG" and resid 32 and name HA ))
2.600 0.800 0.800 peak 764 weight 0.10000E+01 volume 0.99900E+05 ppm1 2.148 ppm2 3.799
ASSI { 765}
(( segid " 1SG" and resid 32 and name HB1 ))
(( segid " 1SG" and resid 32 and name HA ))
1.900 0.500 0.500 peak 765 weight 0.10000E+01 volume 0.63200E+06 ppm1 1.907 ppm2 3.799
ASSI { 774}
(( segid " 1SG" and resid 50 and name HN ))
(( segid " 1SG" and resid 50 and name HB1 ))
2.200 0.600 0.600 peak 774 weight 0.10000E+01 volume 0.28100E+06 ppm1 7.927 ppm2 3.679
ASSI { 776}
(( segid " 1SG" and resid 31 and name HZ ))
(( segid " 1SG" and resid 50 and name HB1 ))
2.600 0.800 0.800 peak 776 weight 0.10000E+01 volume 0.99700E+05 ppm1 6.640 ppm2 3.681
ASSI { 779}
(( segid " 1SG" and resid 20 and name HB1 ))
(( segid " 1SG" and resid 19 and name HA2 ))
5.500 3.800 0.000 peak 779 weight 0.10000E+01 volume 0.74700E+03 ppm1 3.053 ppm2 3.676
ASSI { 785}
(( segid " 1SG" and resid 25 and name HN ))
(( segid " 1SG" and resid 24 and name HA2 ))
2.700 0.900 0.900 peak 785 weight 0.10000E+01 volume 0.75400E+05 ppm1 7.641 ppm2 3.635
ASSI { 792}
(( segid " 1SG" and resid 19 and name HN ))
(( segid " 1SG" and resid 27 and name HA ))
3.100 1.200 1.200 peak 792 weight 0.10000E+01 volume 0.33300E+05 ppm1 8.171 ppm2 3.562
ASSI { 798}
(( segid " 1SG" and resid 9 and name HN ))
(( segid " 1SG" and resid 7 and name HA ))
3.200 1.300 1.300 peak 798 weight 0.10000E+01 volume 0.27700E+05 ppm1 9.288 ppm2 3.525
ASSI { 802}
( segid " 1SG" and resid 8 and name HG2%)
(( segid " 1SG" and resid 7 and name HA ))
3.100 1.200 1.200 peak 802 weight 0.10000E+01 volume 0.32100E+05 ppm1 1.047 ppm2 3.521
ASSI { 812}
(( segid " 1SG" and resid 52 and name HN ))
(( segid " 1SG" and resid 52 and name HA ))
2.500 0.800 0.800 peak 812 weight 0.10000E+01 volume 0.12200E+06 ppm1 8.284 ppm2 3.431
ASSI { 816}
(( segid " 1SG" and resid 5 and name HZ3 ))
(( segid " 1SG" and resid 52 and name HA ))
4.200 2.200 1.300 peak 816 weight 0.10000E+01 volume 0.56800E+04 ppm1 6.981 ppm2 3.434
OR { 816}
(( segid " 1SG" and resid 5 and name HD1 ))
(( segid " 1SG" and resid 52 and name HA ))
ASSI { 817}
(( segid " 1SG" and resid 5 and name HE3 ))
(( segid " 1SG" and resid 52 and name HA ))
2.800 1.000 1.000 peak 817 weight 0.10000E+01 volume 0.70500E+05 ppm1 6.740 ppm2 3.428
ASSI { 819}
(( segid " 1SG" and resid 53 and name HB1 ))
(( segid " 1SG" and resid 52 and name HA ))
3.700 1.700 1.700 peak 819 weight 0.10000E+01 volume 0.12400E+05 ppm1 2.596 ppm2 3.424
ASSI { 821}
(( segid " 1SG" and resid 52 and name HB1 ))
(( segid " 1SG" and resid 52 and name HA ))
2.700 0.900 0.900 peak 821 weight 0.10000E+01 volume 0.86900E+05 ppm1 1.237 ppm2 3.430
ASSI { 822}
(( segid " 1SG" and resid 52 and name HB2 ))
(( segid " 1SG" and resid 52 and name HA ))
2.400 0.700 0.700 peak 822 weight 0.10000E+01 volume 0.17100E+06 ppm1 1.093 ppm2 3.430
ASSI { 823}
( segid " 1SG" and resid 52 and name HD1%)
(( segid " 1SG" and resid 52 and name HA ))
2.300 0.700 0.700 peak 823 weight 0.10000E+01 volume 0.19200E+06 ppm1 0.402 ppm2 3.429
ASSI { 824}
( segid " 1SG" and resid 52 and name HD2%)
(( segid " 1SG" and resid 52 and name HA ))
2.500 0.800 0.800 peak 824 weight 0.10000E+01 volume 0.11700E+06 ppm1 0.278 ppm2 3.431
ASSI { 828}
(( segid " 1SG" and resid 10 and name HB2 ))
(( segid " 1SG" and resid 10 and name HB1 ))
1.800 0.400 0.400 peak 828 weight 0.10000E+01 volume 0.90200E+06 ppm1 2.454 ppm2 3.380
ASSI { 830}
( segid " 1SG" and resid 34 and name HD1%)
(( segid " 1SG" and resid 31 and name HA ))
2.200 0.600 0.600 peak 830 weight 0.10000E+01 volume 0.27500E+06 ppm1 -1.232 ppm2 3.370
ASSI { 831}
(( segid " 1SG" and resid 31 and name HN ))
(( segid " 1SG" and resid 31 and name HA ))
2.500 0.800 0.800 peak 831 weight 0.10000E+01 volume 0.11400E+06 ppm1 9.861 ppm2 3.367
ASSI { 834}
(( segid " 1SG" and resid 32 and name HN ))
(( segid " 1SG" and resid 31 and name HA ))
2.700 0.900 0.900 peak 834 weight 0.10000E+01 volume 0.75300E+05 ppm1 9.132 ppm2 3.353
ASSI { 842}
(( segid " 1SG" and resid 34 and name HG12))
(( segid " 1SG" and resid 34 and name HA ))
2.400 0.700 0.700 peak 842 weight 0.10000E+01 volume 0.18500E+06 ppm1 -0.979 ppm2 3.311
ASSI { 845}
(( segid " 1SG" and resid 43 and name HB2 ))
(( segid " 1SG" and resid 43 and name HB1 ))
1.900 0.500 0.500 peak 845 weight 0.10000E+01 volume 0.76900E+06 ppm1 2.533 ppm2 3.290
ASSI { 847}
(( segid " 1SG" and resid 17 and name HN ))
(( segid " 1SG" and resid 2 and name HB1 ))
2.700 0.900 0.900 peak 847 weight 0.10000E+01 volume 0.85200E+05 ppm1 8.222 ppm2 3.207
ASSI { 848}
( segid " 1SG" and resid 17 and name HB% )
(( segid " 1SG" and resid 2 and name HB1 ))
2.700 0.900 0.900 peak 848 weight 0.10000E+01 volume 0.86500E+05 ppm1 1.246 ppm2 3.211
ASSI { 870}
(( segid " 1SG" and resid 39 and name HB2 ))
(( segid " 1SG" and resid 40 and name HB1 ))
5.500 3.800 0.000 peak 870 weight 0.10000E+01 volume 0.59200E+03 ppm1 2.210 ppm2 3.103
ASSI { 872}
( segid " 1SG" and resid 34 and name HG2%)
(( segid " 1SG" and resid 38 and name HB1 ))
2.400 0.700 0.700 peak 872 weight 0.10000E+01 volume 0.16100E+06 ppm1 -0.193 ppm2 3.101
ASSI { 873}
(( segid " 1SG" and resid 21 and name HN ))
(( segid " 1SG" and resid 20 and name HB1 ))
3.000 1.100 1.100 peak 873 weight 0.10000E+01 volume 0.46100E+05 ppm1 9.283 ppm2 3.047
ASSI { 880}
( segid " 1SG" and resid 14 and name HD% )
(( segid " 1SG" and resid 14 and name HB1 ))
2.000 0.500 0.500 peak 880 weight 0.10000E+01 volume 0.47700E+06 ppm1 7.173 ppm2 3.019
ASSI { 884}
( segid " 1SG" and resid 17 and name HB% )
(( segid " 1SG" and resid 17 and name HA ))
2.100 0.600 0.600 peak 884 weight 0.10000E+01 volume 0.39300E+06 ppm1 1.239 ppm2 2.965
ASSI { 889}
( segid " 1SG" and resid 50 and name HD% )
(( segid " 1SG" and resid 5 and name HB1 ))
2.000 0.500 0.500 peak 889 weight 0.10000E+01 volume 0.42400E+06 ppm1 7.126 ppm2 2.934
ASSI { 896}
(( segid " 1SG" and resid 38 and name HN ))
(( segid " 1SG" and resid 38 and name HB2 ))
2.200 0.600 0.600 peak 896 weight 0.10000E+01 volume 0.24600E+06 ppm1 7.716 ppm2 2.903
ASSI { 906}
(( segid " 1SG" and resid 16 and name HB2 ))
(( segid " 1SG" and resid 2 and name HB2 ))
5.500 3.800 0.000 peak 906 weight 0.10000E+01 volume 0.42700E+03 ppm1 1.959 ppm2 2.863
ASSI { 909}
( segid " 1SG" and resid 17 and name HB% )
(( segid " 1SG" and resid 2 and name HB2 ))
2.500 0.800 0.800 peak 909 weight 0.10000E+01 volume 0.11400E+06 ppm1 1.246 ppm2 2.858
ASSI { 911}
(( segid " 1SG" and resid 3 and name HN ))
(( segid " 1SG" and resid 2 and name HB2 ))
3.500 1.500 1.500 peak 911 weight 0.10000E+01 volume 0.15800E+05 ppm1 8.985 ppm2 2.851
ASSI { 915}
(( segid " 1SG" and resid 5 and name HD1 ))
(( segid " 1SG" and resid 5 and name HB2 ))
2.600 0.800 0.800 peak 915 weight 0.10000E+01 volume 0.10200E+06 ppm1 6.960 ppm2 2.794
ASSI { 925}
(( segid " 1SG" and resid 4 and name HB2 ))
(( segid " 1SG" and resid 53 and name HB1 ))
5.500 3.800 0.000 peak 925 weight 0.10000E+01 volume 0.94600E+03 ppm1 1.589 ppm2 2.593
ASSI { 933}
(( segid " 1SG" and resid 50 and name HN ))
(( segid " 1SG" and resid 50 and name HB2 ))
2.500 0.800 0.800 peak 933 weight 0.10000E+01 volume 0.11900E+06 ppm1 7.926 ppm2 2.507
ASSI { 934}
(( segid " 1SG" and resid 33 and name HN ))
(( segid " 1SG" and resid 33 and name HB2 ))
2.200 0.600 0.600 peak 934 weight 0.10000E+01 volume 0.26600E+06 ppm1 7.395 ppm2 2.515
ASSI { 935}
(( segid " 1SG" and resid 51 and name HN ))
(( segid " 1SG" and resid 50 and name HB2 ))
3.100 1.200 1.200 peak 935 weight 0.10000E+01 volume 0.32900E+05 ppm1 9.195 ppm2 2.505
ASSI { 937}
(( segid " 1SG" and resid 5 and name HE3 ))
(( segid " 1SG" and resid 50 and name HB2 ))
2.500 0.800 0.800 peak 937 weight 0.10000E+01 volume 0.13100E+06 ppm1 6.736 ppm2 2.500
ASSI { 942}
( segid " 1SG" and resid 6 and name HG2%)
(( segid " 1SG" and resid 53 and name HB2 ))
2.800 1.000 1.000 peak 942 weight 0.10000E+01 volume 0.60400E+05 ppm1 0.827 ppm2 2.499
ASSI { 943}
(( segid " 1SG" and resid 6 and name HN ))
(( segid " 1SG" and resid 53 and name HB2 ))
3.000 1.100 1.100 peak 943 weight 0.10000E+01 volume 0.39700E+05 ppm1 10.138 ppm2 2.489
ASSI { 947}
(( segid " 1SG" and resid 17 and name HN ))
(( segid " 1SG" and resid 16 and name HB1 ))
3.000 1.100 1.100 peak 947 weight 0.10000E+01 volume 0.41800E+05 ppm1 8.222 ppm2 2.487
ASSI { 957}
(( segid " 1SG" and resid 5 and name HD1 ))
(( segid " 1SG" and resid 31 and name HB1 ))
3.100 1.200 1.200 peak 957 weight 0.10000E+01 volume 0.38600E+05 ppm1 6.961 ppm2 2.466
ASSI { 963}
(( segid " 1SG" and resid 31 and name HB2 ))
(( segid " 1SG" and resid 31 and name HB1 ))
1.600 0.300 0.600 peak 963 weight 0.10000E+01 volume 0.15500E+07 ppm1 1.962 ppm2 2.466
ASSI { 976}
( segid " 1SG" and resid 51 and name HG2%)
(( segid " 1SG" and resid 51 and name HB ))
2.100 0.600 0.600 peak 976 weight 0.10000E+01 volume 0.38500E+06 ppm1 0.853 ppm2 2.326
ASSI { 978}
(( segid " 1SG" and resid 39 and name HN ))
(( segid " 1SG" and resid 39 and name HB1 ))
2.700 0.900 0.900 peak 978 weight 0.10000E+01 volume 0.74900E+05 ppm1 6.920 ppm2 2.306
ASSI { 987}
(( segid " 1SG" and resid 39 and name HN ))
(( segid " 1SG" and resid 39 and name HB2 ))
3.200 1.300 1.300 peak 987 weight 0.10000E+01 volume 0.30100E+05 ppm1 6.919 ppm2 2.211
ASSI { 990}
(( segid " 1SG" and resid 44 and name HA2 ))
(( segid " 1SG" and resid 39 and name HB2 ))
4.400 2.400 1.100 peak 990 weight 0.10000E+01 volume 0.45900E+04 ppm1 3.569 ppm2 2.207
ASSI { 998}
(( segid " 1SG" and resid 32 and name HN ))
(( segid " 1SG" and resid 32 and name HB2 ))
2.200 0.600 0.600 peak 998 weight 0.10000E+01 volume 0.25100E+06 ppm1 9.137 ppm2 2.142
ASSI { 1003}
( segid " 1SG" and resid 13 and name HG2%)
(( segid " 1SG" and resid 15 and name HB2 ))
3.300 1.400 1.400 peak 1003 weight 0.10000E+01 volume 0.25900E+05 ppm1 0.640 ppm2 2.142
ASSI { 1004}
(( segid " 1SG" and resid 31 and name HN ))
(( segid " 1SG" and resid 30 and name HB1 ))
3.500 1.500 1.500 peak 1004 weight 0.10000E+01 volume 0.17300E+05 ppm1 9.860 ppm2 2.129
ASSI { 1011}
(( segid " 1SG" and resid 51 and name HB ))
(( segid " 1SG" and resid 8 and name HB ))
4.000 2.000 1.500 peak 1011 weight 0.10000E+01 volume 0.81600E+04 ppm1 2.285 ppm2 2.087
ASSI { 1012}
(( segid " 1SG" and resid 8 and name HN ))
(( segid " 1SG" and resid 8 and name HB ))
2.800 1.000 1.000 peak 1012 weight 0.10000E+01 volume 0.62100E+05 ppm1 9.160 ppm2 2.075
ASSI { 1015}
( segid " 1SG" and resid 8 and name HG2%)
(( segid " 1SG" and resid 8 and name HB ))
2.200 0.600 0.600 peak 1015 weight 0.10000E+01 volume 0.25000E+06 ppm1 1.044 ppm2 2.071
ASSI { 1025}
(( segid " 1SG" and resid 17 and name HN ))
(( segid " 1SG" and resid 16 and name HB2 ))
3.400 1.400 1.400 peak 1025 weight 0.10000E+01 volume 0.22000E+05 ppm1 8.255 ppm2 1.961
ASSI { 1034}
(( segid " 1SG" and resid 23 and name HN ))
(( segid " 1SG" and resid 23 and name HB1 ))
2.600 0.800 0.800 peak 1034 weight 0.10000E+01 volume 0.97300E+05 ppm1 7.387 ppm2 1.954
ASSI { 1039}
(( segid " 1SG" and resid 32 and name HN ))
(( segid " 1SG" and resid 32 and name HB1 ))
2.200 0.600 0.600 peak 1039 weight 0.10000E+01 volume 0.24800E+06 ppm1 9.137 ppm2 1.915
ASSI { 1049}
(( segid " 1SG" and resid 53 and name HB1 ))
(( segid " 1SG" and resid 4 and name HB1 ))
2.700 0.900 0.900 peak 1049 weight 0.10000E+01 volume 0.74900E+05 ppm1 2.596 ppm2 1.860
ASSI { 1052}
(( segid " 1SG" and resid 5 and name HN ))
(( segid " 1SG" and resid 4 and name HB1 ))
2.700 2.700 1.800 peak 1052 weight 0.10000E+01 volume 0.80000E+05 ppm1 9.327 ppm2 1.844
ASSI { 1053}
(( segid " 1SG" and resid 47 and name HN ))
(( segid " 1SG" and resid 47 and name HB2 ))
2.800 1.000 1.000 peak 1053 weight 0.10000E+01 volume 0.61100E+05 ppm1 8.593 ppm2 1.859
ASSI { 1057}
(( segid " 1SG" and resid 4 and name HB2 ))
(( segid " 1SG" and resid 4 and name HB1 ))
1.800 0.400 0.400 peak 1057 weight 0.10000E+01 volume 0.97400E+06 ppm1 1.590 ppm2 1.855
ASSI { 1064}
(( segid " 1SG" and resid 5 and name HD1 ))
(( segid " 1SG" and resid 3 and name HB1 ))
5.500 3.800 0.000 peak 1064 weight 0.10000E+01 volume 0.85500E+03 ppm1 6.960 ppm2 1.762
ASSI { 1068}
(( segid " 1SG" and resid 3 and name HG ))
(( segid " 1SG" and resid 3 and name HB1 ))
2.000 2.000 2.500 peak 1068 weight 0.10000E+01 volume 0.53900E+06 ppm1 0.763 ppm2 1.767
ASSI { 1074}
(( segid " 1SG" and resid 55 and name HB1 ))
(( segid " 1SG" and resid 55 and name HB2 ))
1.800 0.400 0.400 peak 1074 weight 0.10000E+01 volume 0.82800E+06 ppm1 1.925 ppm2 1.734
ASSI { 1079}
(( segid " 1SG" and resid 15 and name HB1 ))
(( segid " 1SG" and resid 18 and name HB1 ))
3.100 1.200 1.200 peak 1079 weight 0.10000E+01 volume 0.37400E+05 ppm1 2.867 ppm2 1.702
ASSI { 1084}
( segid " 1SG" and resid 6 and name HG2%)
(( segid " 1SG" and resid 13 and name HG11))
2.200 2.200 2.300 peak 1084 weight 0.10000E+01 volume 0.27600E+06 ppm1 0.860 ppm2 1.614
ASSI { 1098}
( segid " 1SG" and resid 9 and name HG2%)
( segid " 1SG" and resid 45 and name HB% )
1.600 1.600 2.900 peak 1098 weight 0.10000E+01 volume 0.17000E+07 ppm1 1.145 ppm2 1.589
ASSI { 1099}
(( segid " 1SG" and resid 47 and name HN ))
( segid " 1SG" and resid 45 and name HB% )
5.200 3.400 0.300 peak 1099 weight 0.10000E+01 volume 0.16100E+04 ppm1 8.592 ppm2 1.563
ASSI { 1102}
( segid " 1SG" and resid 25 and name HD% )
(( segid " 1SG" and resid 23 and name HB2 ))
2.800 1.000 1.000 peak 1102 weight 0.10000E+01 volume 0.66700E+05 ppm1 6.897 ppm2 1.491
ASSI { 1104}
(( segid " 1SG" and resid 20 and name HB1 ))
(( segid " 1SG" and resid 23 and name HB2 ))
2.600 0.800 0.800 peak 1104 weight 0.10000E+01 volume 0.90400E+05 ppm1 3.041 ppm2 1.486
ASSI { 1112}
(( segid " 1SG" and resid 9 and name HN ))
(( segid " 1SG" and resid 8 and name HG12))
5.400 3.600 0.100 peak 1112 weight 0.10000E+01 volume 0.13200E+04 ppm1 9.289 ppm2 1.459
ASSI { 1115}
( segid " 1SG" and resid 8 and name HG2%)
(( segid " 1SG" and resid 8 and name HG12))
3.100 1.200 1.200 peak 1115 weight 0.10000E+01 volume 0.34500E+05 ppm1 1.047 ppm2 1.456
ASSI { 1120}
(( segid " 1SG" and resid 8 and name HB ))
(( segid " 1SG" and resid 8 and name HG12))
2.200 0.600 0.600 peak 1120 weight 0.10000E+01 volume 0.24300E+06 ppm1 2.068 ppm2 1.444
ASSI { 1126}
(( segid " 1SG" and resid 48 and name HN ))
( segid " 1SG" and resid 46 and name HG2%)
3.000 1.100 1.100 peak 1126 weight 0.10000E+01 volume 0.44700E+05 ppm1 8.041 ppm2 1.323
ASSI { 1131}
( segid " 1SG" and resid 2 and name HD% )
( segid " 1SG" and resid 17 and name HB% )
2.600 0.800 0.800 peak 1131 weight 0.10000E+01 volume 0.97700E+05 ppm1 7.197 ppm2 1.249
ASSI { 1139}
(( segid " 1SG" and resid 18 and name HB2 ))
( segid " 1SG" and resid 17 and name HB% )
3.300 1.400 1.400 peak 1139 weight 0.10000E+01 volume 0.26000E+05 ppm1 1.488 ppm2 1.240
ASSI { 1142}
( segid " 1SG" and resid 6 and name HG2%)
(( segid " 1SG" and resid 6 and name HB ))
2.500 0.800 0.800 peak 1142 weight 0.10000E+01 volume 0.12200E+06 ppm1 0.850 ppm2 1.212
ASSI { 1143}
( segid " 1SG" and resid 52 and name HD2%)
(( segid " 1SG" and resid 52 and name HB1 ))
2.500 0.800 0.800 peak 1143 weight 0.10000E+01 volume 0.14200E+06 ppm1 0.279 ppm2 1.224
ASSI { 1149}
(( segid " 1SG" and resid 6 and name HG12))
(( segid " 1SG" and resid 6 and name HB ))
1.900 0.500 0.500 peak 1149 weight 0.10000E+01 volume 0.71500E+06 ppm1 0.606 ppm2 1.205
ASSI { 1152}
(( segid " 1SG" and resid 5 and name HE1 ))
(( segid " 1SG" and resid 3 and name HB2 ))
3.200 1.300 1.300 peak 1152 weight 0.10000E+01 volume 0.31700E+05 ppm1 9.713 ppm2 1.190
ASSI { 1154}
(( segid " 1SG" and resid 4 and name HN ))
(( segid " 1SG" and resid 3 and name HB2 ))
2.400 0.700 0.700 peak 1154 weight 0.10000E+01 volume 0.15000E+06 ppm1 7.978 ppm2 1.187
ASSI { 1157}
(( segid " 1SG" and resid 9 and name HN ))
( segid " 1SG" and resid 9 and name HG2%)
2.900 1.100 1.100 peak 1157 weight 0.10000E+01 volume 0.49400E+05 ppm1 9.291 ppm2 1.164
ASSI { 1167}
(( segid " 1SG" and resid 52 and name HN ))
(( segid " 1SG" and resid 52 and name HB2 ))
2.200 0.600 0.600 peak 1167 weight 0.10000E+01 volume 0.28000E+06 ppm1 8.285 ppm2 1.097
ASSI { 1170}
(( segid " 1SG" and resid 5 and name HH2 ))
(( segid " 1SG" and resid 52 and name HB2 ))
3.600 1.600 1.600 peak 1170 weight 0.10000E+01 volume 0.13500E+05 ppm1 7.171 ppm2 1.083
ASSI { 1173}
( segid " 1SG" and resid 52 and name HD2%)
(( segid " 1SG" and resid 52 and name HB2 ))
2.300 0.700 0.700 peak 1173 weight 0.10000E+01 volume 0.21900E+06 ppm1 0.278 ppm2 1.085
ASSI { 1179}
(( segid " 1SG" and resid 9 and name HN ))
( segid " 1SG" and resid 8 and name HG2%)
3.500 1.500 1.500 peak 1179 weight 0.10000E+01 volume 0.17500E+05 ppm1 9.289 ppm2 1.050
ASSI { 1189}
( segid " 1SG" and resid 52 and name HD2%)
(( segid " 1SG" and resid 52 and name HG ))
2.400 0.700 0.700 peak 1189 weight 0.10000E+01 volume 0.14800E+06 ppm1 0.281 ppm2 0.961
ASSI { 1197}
( segid " 1SG" and resid 8 and name HG2%)
( segid " 1SG" and resid 8 and name HD1%)
2.000 0.500 0.500 peak 1197 weight 0.10000E+01 volume 0.47600E+06 ppm1 1.048 ppm2 0.857
ASSI { 1198}
(( segid " 1SG" and resid 6 and name HG12))
( segid " 1SG" and resid 6 and name HG2%)
2.200 0.600 0.600 peak 1198 weight 0.10000E+01 volume 0.27300E+06 ppm1 0.607 ppm2 0.852
ASSI { 1203}
(( segid " 1SG" and resid 14 and name HH ))
( segid " 1SG" and resid 29 and name HG2%)
3.500 1.500 1.500 peak 1203 weight 0.10000E+01 volume 0.16200E+05 ppm1 8.684 ppm2 0.822
ASSI { 1212}
(( segid " 1SG" and resid 3 and name HB2 ))
(( segid " 1SG" and resid 3 and name HG ))
1.800 1.800 2.700 peak 1212 weight 0.10000E+01 volume 0.85400E+06 ppm1 1.199 ppm2 0.765
ASSI { 1214}
( segid " 1SG" and resid 52 and name HD1%)
(( segid " 1SG" and resid 3 and name HG ))
2.600 0.800 0.800 peak 1214 weight 0.10000E+01 volume 0.92500E+05 ppm1 0.404 ppm2 0.770
ASSI { 1215}
( segid " 1SG" and resid 52 and name HD2%)
(( segid " 1SG" and resid 3 and name HG ))
3.800 1.800 1.700 peak 1215 weight 0.10000E+01 volume 0.10600E+05 ppm1 0.277 ppm2 0.768
ASSI { 1220}
(( segid " 1SG" and resid 14 and name HN ))
( segid " 1SG" and resid 13 and name HG2%)
2.400 0.700 0.700 peak 1220 weight 0.10000E+01 volume 0.17400E+06 ppm1 9.758 ppm2 0.642
ASSI { 1223}
(( segid " 1SG" and resid 13 and name HN ))
( segid " 1SG" and resid 13 and name HG2%)
3.000 1.100 1.100 peak 1223 weight 0.10000E+01 volume 0.45000E+05 ppm1 7.728 ppm2 0.642
ASSI { 1226}
(( segid " 1SG" and resid 13 and name HB ))
( segid " 1SG" and resid 13 and name HG2%)
2.000 0.500 0.500 peak 1226 weight 0.10000E+01 volume 0.44000E+06 ppm1 1.450 ppm2 0.642
ASSI { 1227}
( segid " 1SG" and resid 13 and name HD1%)
( segid " 1SG" and resid 13 and name HG2%)
2.000 0.500 0.500 peak 1227 weight 0.10000E+01 volume 0.49900E+06 ppm1 0.420 ppm2 0.635
ASSI { 1228}
(( segid " 1SG" and resid 7 and name HN ))
(( segid " 1SG" and resid 6 and name HG12))
4.000 2.000 1.500 peak 1228 weight 0.10000E+01 volume 0.72900E+04 ppm1 8.289 ppm2 0.614
ASSI { 1229}
(( segid " 1SG" and resid 53 and name HB2 ))
(( segid " 1SG" and resid 6 and name HG12))
5.500 3.800 0.000 peak 1229 weight 0.10000E+01 volume 0.14300E+03 ppm1 2.488 ppm2 0.617
ASSI { 1230}
(( segid " 1SG" and resid 6 and name HN ))
(( segid " 1SG" and resid 6 and name HG12))
5.500 3.800 0.000 peak 1230 weight 0.10000E+01 volume 0.31000E+03 ppm1 10.139 ppm2 0.602
ASSI { 1231}
(( segid " 1SG" and resid 11 and name HN ))
(( segid " 1SG" and resid 6 and name HG12))
4.600 2.600 0.900 peak 1231 weight 0.10000E+01 volume 0.33900E+04 ppm1 8.094 ppm2 0.606
ASSI { 1240}
( segid " 1SG" and resid 34 and name HD1%)
(( segid " 1SG" and resid 34 and name HB ))
2.400 0.700 0.700 peak 1240 weight 0.10000E+01 volume 0.17100E+06 ppm1 -1.233 ppm2 0.574
ASSI { 1242}
(( segid " 1SG" and resid 6 and name HG11))
(( segid " 1SG" and resid 13 and name HG12))
3.200 1.300 1.300 peak 1242 weight 0.10000E+01 volume 0.30800E+05 ppm1 0.725 ppm2 0.505
ASSI { 1243}
(( segid " 1SG" and resid 14 and name HN ))
(( segid " 1SG" and resid 13 and name HG12))
3.200 1.300 1.300 peak 1243 weight 0.10000E+01 volume 0.29000E+05 ppm1 9.758 ppm2 0.494
ASSI { 1244}
(( segid " 1SG" and resid 13 and name HN ))
(( segid " 1SG" and resid 13 and name HG12))
2.800 1.000 1.000 peak 1244 weight 0.10000E+01 volume 0.59200E+05 ppm1 7.729 ppm2 0.491
ASSI { 1248}
(( segid " 1SG" and resid 6 and name HB ))
(( segid " 1SG" and resid 13 and name HG12))
2.900 1.100 1.100 peak 1248 weight 0.10000E+01 volume 0.50000E+05 ppm1 1.203 ppm2 0.490
ASSI { 1250}
(( segid " 1SG" and resid 13 and name HB ))
( segid " 1SG" and resid 13 and name HD1%)
2.300 0.700 0.700 peak 1250 weight 0.10000E+01 volume 0.19600E+06 ppm1 1.449 ppm2 0.423
ASSI { 1253}
(( segid " 1SG" and resid 7 and name HN ))
( segid " 1SG" and resid 6 and name HD1%)
4.200 2.200 1.300 peak 1253 weight 0.10000E+01 volume 0.53700E+04 ppm1 8.285 ppm2 0.406
ASSI { 1264}
( segid " 1SG" and resid 34 and name HD1%)
(( segid " 1SG" and resid 34 and name HG11))
2.200 0.600 0.600 peak 1264 weight 0.10000E+01 volume 0.28900E+06 ppm1 -1.237 ppm2 0.371
ASSI { 1266}
(( segid " 1SG" and resid 53 and name HN ))
( segid " 1SG" and resid 52 and name HD2%)
3.400 1.400 1.400 peak 1266 weight 0.10000E+01 volume 0.21700E+05 ppm1 8.724 ppm2 0.278
ASSI { 1267}
(( segid " 1SG" and resid 52 and name HN ))
( segid " 1SG" and resid 52 and name HD2%)
5.000 3.100 0.500 peak 1267 weight 0.10000E+01 volume 0.19100E+04 ppm1 8.285 ppm2 0.277
ASSI { 1276}
( segid " 1SG" and resid 52 and name HD1%)
( segid " 1SG" and resid 52 and name HD2%)
3.400 1.400 1.400 peak 1276 weight 0.10000E+01 volume 0.20300E+05 ppm1 0.402 ppm2 0.277
ASSI { 1279}
(( segid " 1SG" and resid 38 and name HN ))
( segid " 1SG" and resid 34 and name HG2%)
3.100 1.200 1.200 peak 1279 weight 0.10000E+01 volume 0.37500E+05 ppm1 7.716 ppm2 -0.191
ASSI { 1280}
(( segid " 1SG" and resid 38 and name HD1 ))
( segid " 1SG" and resid 34 and name HG2%)
3.200 1.300 1.300 peak 1280 weight 0.10000E+01 volume 0.27600E+05 ppm1 7.389 ppm2 -0.193
ASSI { 1288}
(( segid " 1SG" and resid 31 and name HA ))
( segid " 1SG" and resid 34 and name HG2%)
2.600 0.800 0.800 peak 1288 weight 0.10000E+01 volume 0.10100E+06 ppm1 3.378 ppm2 -0.194
ASSI { 1294}
(( segid " 1SG" and resid 34 and name HB ))
( segid " 1SG" and resid 34 and name HG2%)
2.000 0.500 0.500 peak 1294 weight 0.10000E+01 volume 0.44800E+06 ppm1 0.577 ppm2 -0.194
ASSI { 1295}
(( segid " 1SG" and resid 34 and name HG11))
( segid " 1SG" and resid 34 and name HG2%)
2.600 0.800 0.800 peak 1295 weight 0.10000E+01 volume 0.11000E+06 ppm1 0.371 ppm2 -0.192
ASSI { 1296}
(( segid " 1SG" and resid 34 and name HG12))
( segid " 1SG" and resid 34 and name HG2%)
2.400 0.700 0.700 peak 1296 weight 0.10000E+01 volume 0.17200E+06 ppm1 -0.979 ppm2 -0.193
ASSI { 1297}
( segid " 1SG" and resid 34 and name HD1%)
( segid " 1SG" and resid 34 and name HG2%)
2.000 0.500 0.500 peak 1297 weight 0.10000E+01 volume 0.43600E+06 ppm1 -1.232 ppm2 -0.193
ASSI { 1300}
(( segid " 1SG" and resid 25 and name HZ ))
(( segid " 1SG" and resid 34 and name HG12))
3.500 1.500 1.500 peak 1300 weight 0.10000E+01 volume 0.17500E+05 ppm1 6.570 ppm2 -0.979
ASSI { 1301}
( segid " 1SG" and resid 31 and name HD% )
(( segid " 1SG" and resid 34 and name HG12))
5.500 3.800 0.000 peak 1301 weight 0.10000E+01 volume 0.12200E+03 ppm1 5.767 ppm2 -0.975
ASSI { 1304}
(( segid " 1SG" and resid 34 and name HB ))
(( segid " 1SG" and resid 34 and name HG12))
2.300 0.700 0.700 peak 1304 weight 0.10000E+01 volume 0.22600E+06 ppm1 0.578 ppm2 -0.976
ASSI { 1305}
(( segid " 1SG" and resid 34 and name HG11))
(( segid " 1SG" and resid 34 and name HG12))
1.800 0.400 0.400 peak 1305 weight 0.10000E+01 volume 0.79700E+06 ppm1 0.374 ppm2 -0.979
ASSI { 1307}
( segid " 1SG" and resid 34 and name HD1%)
(( segid " 1SG" and resid 34 and name HG12))
2.100 0.600 0.600 peak 1307 weight 0.10000E+01 volume 0.41700E+06 ppm1 -1.238 ppm2 -0.981
ASSI { 1310}
(( segid " 1SG" and resid 14 and name HH ))
( segid " 1SG" and resid 34 and name HD1%)
3.300 1.400 1.400 peak 1310 weight 0.10000E+01 volume 0.23500E+05 ppm1 8.683 ppm2 -1.232
ASSI { 1312}
( segid " 1SG" and resid 14 and name HD% )
( segid " 1SG" and resid 34 and name HD1%)
3.300 1.400 1.400 peak 1312 weight 0.10000E+01 volume 0.24500E+05 ppm1 7.172 ppm2 -1.231
ASSI { 1313}
( segid " 1SG" and resid 25 and name HD% )
( segid " 1SG" and resid 34 and name HD1%)
3.000 1.100 1.100 peak 1313 weight 0.10000E+01 volume 0.40700E+05 ppm1 6.898 ppm2 -1.231
ASSI { 1320}
( segid " 1SG" and resid 29 and name HG2%)
( segid " 1SG" and resid 34 and name HD1%)
2.500 0.800 0.800 peak 1320 weight 0.10000E+01 volume 0.11900E+06 ppm1 0.824 ppm2 -1.229
ASSI { 1326}
(( segid " 1SG" and resid 31 and name HN ))
(( segid " 1SG" and resid 33 and name HN ))
5.500 3.800 0.000 peak 1326 weight 0.10000E+01 volume 0.20000E+03 ppm1 9.861 ppm2 7.417
ASSI { 1330}
(( segid " 1SG" and resid 14 and name HN ))
(( segid " 1SG" and resid 14 and name HB1 ))
3.000 1.100 1.100 peak 1330 weight 0.10000E+01 volume 0.41600E+05 ppm1 9.758 ppm2 3.020
ASSI { 1332}
(( segid " 1SG" and resid 5 and name HE1 ))
(( segid " 1SG" and resid 30 and name HA ))
4.700 2.800 0.800 peak 1332 weight 0.10000E+01 volume 0.27500E+04 ppm1 9.715 ppm2 4.044
ASSI { 1334}
(( segid " 1SG" and resid 30 and name HN ))
(( segid " 1SG" and resid 30 and name HB1 ))
3.000 1.100 1.100 peak 1334 weight 0.10000E+01 volume 0.41900E+05 ppm1 9.327 ppm2 2.123
ASSI { 1335}
(( segid " 1SG" and resid 30 and name HN ))
(( segid " 1SG" and resid 30 and name HA ))
3.300 1.400 1.400 peak 1335 weight 0.10000E+01 volume 0.25600E+05 ppm1 9.328 ppm2 4.052
ASSI { 1336}
(( segid " 1SG" and resid 9 and name HN ))
(( segid " 1SG" and resid 9 and name HA ))
2.800 1.000 1.000 peak 1336 weight 0.10000E+01 volume 0.67500E+05 ppm1 9.289 ppm2 4.140
ASSI { 1337}
(( segid " 1SG" and resid 9 and name HN ))
(( segid " 1SG" and resid 8 and name HA ))
2.900 1.100 1.100 peak 1337 weight 0.10000E+01 volume 0.57100E+05 ppm1 9.288 ppm2 4.034
ASSI { 1338}
(( segid " 1SG" and resid 10 and name HN ))
(( segid " 1SG" and resid 9 and name HA ))
3.200 1.300 1.300 peak 1338 weight 0.10000E+01 volume 0.28500E+05 ppm1 8.641 ppm2 4.153
ASSI { 1339}
(( segid " 1SG" and resid 53 and name HN ))
(( segid " 1SG" and resid 53 and name HA ))
2.600 0.800 0.800 peak 1339 weight 0.10000E+01 volume 0.11100E+06 ppm1 8.725 ppm2 4.483
ASSI { 1342}
(( segid " 1SG" and resid 34 and name HB ))
(( segid " 1SG" and resid 34 and name HG11))
2.400 0.700 0.700 peak 1342 weight 0.10000E+01 volume 0.16700E+06 ppm1 0.582 ppm2 0.370
ASSI { 1343}
(( segid " 1SG" and resid 38 and name HZ3 ))
( segid " 1SG" and resid 31 and name HD% )
3.300 1.400 1.400 peak 1343 weight 0.10000E+01 volume 0.25000E+05 ppm1 6.088 ppm2 5.766
ASSI { 1346}
( segid " 1SG" and resid 31 and name HE% )
(( segid " 1SG" and resid 31 and name HA ))
4.100 2.100 1.400 peak 1346 weight 0.10000E+01 volume 0.66800E+04 ppm1 6.389 ppm2 3.364
ASSI { 1347}
( segid " 1SG" and resid 31 and name HE% )
(( segid " 1SG" and resid 47 and name HA ))
3.200 1.300 1.300 peak 1347 weight 0.10000E+01 volume 0.27600E+05 ppm1 6.390 ppm2 4.033
ASSI { 1348}
(( segid " 1SG" and resid 50 and name HN ))
(( segid " 1SG" and resid 50 and name HA ))
2.700 0.900 0.900 peak 1348 weight 0.10000E+01 volume 0.78000E+05 ppm1 7.928 ppm2 5.438
ASSI { 1352}
( segid " 1SG" and resid 50 and name HD% )
(( segid " 1SG" and resid 50 and name HA ))
2.700 0.900 0.900 peak 1352 weight 0.10000E+01 volume 0.87800E+05 ppm1 7.136 ppm2 5.431
ASSI { 1355}
(( segid " 1SG" and resid 5 and name HN ))
(( segid " 1SG" and resid 5 and name HA ))
2.700 0.900 0.900 peak 1355 weight 0.10000E+01 volume 0.82000E+05 ppm1 9.296 ppm2 5.064
ASSI { 1357}
( segid " 1SG" and resid 53 and name HD% )
(( segid " 1SG" and resid 53 and name HA ))
2.300 0.700 0.700 peak 1357 weight 0.10000E+01 volume 0.19000E+06 ppm1 6.872 ppm2 4.482
ASSI { 1358}
(( segid " 1SG" and resid 44 and name HN ))
(( segid " 1SG" and resid 44 and name HA2 ))
2.300 0.700 0.700 peak 1358 weight 0.10000E+01 volume 0.19500E+06 ppm1 7.909 ppm2 3.559
ASSI { 1359}
(( segid " 1SG" and resid 44 and name HN ))
(( segid " 1SG" and resid 43 and name HA ))
3.300 1.400 1.400 peak 1359 weight 0.10000E+01 volume 0.23800E+05 ppm1 7.908 ppm2 4.975
ASSI { 1360}
(( segid " 1SG" and resid 24 and name HN ))
(( segid " 1SG" and resid 24 and name HA2 ))
2.200 0.600 0.600 peak 1360 weight 0.10000E+01 volume 0.25200E+06 ppm1 7.527 ppm2 3.629
ASSI { 1363}
(( segid " 1SG" and resid 39 and name HN ))
(( segid " 1SG" and resid 39 and name HA ))
2.800 1.000 1.000 peak 1363 weight 0.10000E+01 volume 0.60300E+05 ppm1 6.922 ppm2 4.612
ASSI { 1364}
(( segid " 1SG" and resid 24 and name HN ))
(( segid " 1SG" and resid 23 and name HA ))
3.000 1.100 1.100 peak 1364 weight 0.10000E+01 volume 0.43400E+05 ppm1 7.526 ppm2 4.070
ASSI { 1367}
(( segid " 1SG" and resid 11 and name HN ))
(( segid " 1SG" and resid 10 and name HA ))
3.200 1.300 1.300 peak 1367 weight 0.10000E+01 volume 0.28800E+05 ppm1 8.094 ppm2 5.105
ASSI { 1373}
(( segid " 1SG" and resid 20 and name HN ))
(( segid " 1SG" and resid 20 and name HA ))
2.500 0.800 0.800 peak 1373 weight 0.10000E+01 volume 0.11800E+06 ppm1 9.132 ppm2 4.769
ASSI { 1374}
(( segid " 1SG" and resid 12 and name HN ))
(( segid " 1SG" and resid 11 and name HA2 ))
2.900 1.100 1.100 peak 1374 weight 0.10000E+01 volume 0.50800E+05 ppm1 9.061 ppm2 3.670
ASSI { 1375}
(( segid " 1SG" and resid 12 and name HN ))
(( segid " 1SG" and resid 11 and name HA1 ))
3.100 1.200 1.200 peak 1375 weight 0.10000E+01 volume 0.32800E+05 ppm1 9.059 ppm2 4.211
ASSI { 1377}
(( segid " 1SG" and resid 40 and name HN ))
(( segid " 1SG" and resid 39 and name HA ))
2.200 0.600 0.600 peak 1377 weight 0.10000E+01 volume 0.30200E+06 ppm1 9.143 ppm2 4.613
ASSI { 1378}
(( segid " 1SG" and resid 47 and name HN ))
(( segid " 1SG" and resid 46 and name HA ))
2.200 0.600 0.600 peak 1378 weight 0.10000E+01 volume 0.28500E+06 ppm1 8.593 ppm2 4.677
ASSI { 1379}
(( segid " 1SG" and resid 47 and name HN ))
(( segid " 1SG" and resid 46 and name HB ))
2.000 0.500 0.500 peak 1379 weight 0.10000E+01 volume 0.43000E+06 ppm1 8.593 ppm2 4.837
ASSI { 1380}
(( segid " 1SG" and resid 46 and name HN ))
(( segid " 1SG" and resid 46 and name HB ))
2.900 1.100 1.100 peak 1380 weight 0.10000E+01 volume 0.55000E+05 ppm1 8.159 ppm2 4.837
ASSI { 1381}
(( segid " 1SG" and resid 48 and name HN ))
(( segid " 1SG" and resid 46 and name HA ))
4.000 2.000 1.500 peak 1381 weight 0.10000E+01 volume 0.82000E+04 ppm1 8.052 ppm2 4.673
ASSI { 1384}
(( segid " 1SG" and resid 54 and name HN ))
(( segid " 1SG" and resid 54 and name HA ))
2.400 0.700 0.700 peak 1384 weight 0.10000E+01 volume 0.15200E+06 ppm1 7.812 ppm2 4.139
ASSI { 1389}
(( segid " 1SG" and resid 17 and name HN ))
(( segid " 1SG" and resid 18 and name HN ))
2.200 0.600 0.600 peak 1389 weight 0.10000E+01 volume 0.24900E+06 ppm1 8.221 ppm2 6.806
ASSI { 1391}
(( segid " 1SG" and resid 3 and name HN ))
(( segid " 1SG" and resid 2 and name HB1 ))
2.600 0.800 0.800 peak 1391 weight 0.10000E+01 volume 0.10000E+06 ppm1 8.981 ppm2 3.202
ASSI { 1392}
(( segid " 1SG" and resid 3 and name HN ))
(( segid " 1SG" and resid 3 and name HB2 ))
3.400 1.400 1.400 peak 1392 weight 0.10000E+01 volume 0.20200E+05 ppm1 8.983 ppm2 1.191
ASSI { 1395}
( segid " 1SG" and resid 2 and name HD% )
(( segid " 1SG" and resid 2 and name HB1 ))
2.200 0.600 0.600 peak 1395 weight 0.10000E+01 volume 0.29300E+06 ppm1 7.197 ppm2 3.205
ASSI { 1396}
(( segid " 1SG" and resid 3 and name HN ))
(( segid " 1SG" and resid 2 and name HA ))
1.800 0.400 0.400 peak 1396 weight 0.10000E+01 volume 0.85900E+06 ppm1 8.987 ppm2 4.789
ASSI { 1397}
(( segid " 1SG" and resid 43 and name HN ))
(( segid " 1SG" and resid 43 and name HB2 ))
2.900 1.100 1.100 peak 1397 weight 0.10000E+01 volume 0.48700E+05 ppm1 7.352 ppm2 2.531
ASSI { 1404}
( segid " 1SG" and resid 14 and name HE% )
(( segid " 1SG" and resid 31 and name HA ))
3.200 1.300 1.300 peak 1404 weight 0.10000E+01 volume 0.26700E+05 ppm1 6.523 ppm2 3.367
ASSI { 1405}
( segid " 1SG" and resid 14 and name HE% )
(( segid " 1SG" and resid 19 and name HA2 ))
3.200 1.300 1.300 peak 1405 weight 0.10000E+01 volume 0.31200E+05 ppm1 6.521 ppm2 3.670
ASSI { 1408}
(( segid " 1SG" and resid 14 and name HH ))
(( segid " 1SG" and resid 19 and name HA2 ))
4.200 2.200 1.300 peak 1408 weight 0.10000E+01 volume 0.59700E+04 ppm1 8.681 ppm2 3.672
ASSI { 1415}
(( segid " 1SG" and resid 10 and name HN ))
(( segid " 1SG" and resid 10 and name HB2 ))
2.800 1.000 1.000 peak 1415 weight 0.10000E+01 volume 0.61500E+05 ppm1 8.644 ppm2 2.467
ASSI { 1416}
(( segid " 1SG" and resid 10 and name HN ))
(( segid " 1SG" and resid 10 and name HB1 ))
3.100 1.200 1.200 peak 1416 weight 0.10000E+01 volume 0.34900E+05 ppm1 8.644 ppm2 3.387
ASSI { 1417}
(( segid " 1SG" and resid 25 and name HZ ))
( segid " 1SG" and resid 34 and name HD1%)
3.700 1.700 1.700 peak 1417 weight 0.10000E+01 volume 0.13100E+05 ppm1 6.569 ppm2 -1.230
ASSI { 1419}
(( segid " 1SG" and resid 52 and name HN ))
(( segid " 1SG" and resid 52 and name HB1 ))
2.100 0.600 0.600 peak 1419 weight 0.10000E+01 volume 0.32800E+06 ppm1 8.286 ppm2 1.223
ASSI { 1421}
(( segid " 1SG" and resid 5 and name HZ2 ))
( segid " 1SG" and resid 52 and name HD1%)
5.500 3.800 0.000 peak 1421 weight 0.10000E+01 volume 0.82400E+03 ppm1 7.524 ppm2 0.401
ASSI { 1422}
(( segid " 1SG" and resid 5 and name HD1 ))
( segid " 1SG" and resid 52 and name HD1%)
5.500 3.800 0.000 peak 1422 weight 0.10000E+01 volume 0.20300E+03 ppm1 6.974 ppm2 0.392
OR { 1422}
(( segid " 1SG" and resid 5 and name HZ3 ))
( segid " 1SG" and resid 52 and name HD1%)
ASSI { 1424}
(( segid " 1SG" and resid 52 and name HG ))
(( segid " 1SG" and resid 52 and name HA ))
5.000 3.100 0.500 peak 1424 weight 0.10000E+01 volume 0.19900E+04 ppm1 0.956 ppm2 3.435
ASSI { 1428}
(( segid " 1SG" and resid 52 and name HB2 ))
( segid " 1SG" and resid 52 and name HD1%)
2.400 0.700 0.700 peak 1428 weight 0.10000E+01 volume 0.16100E+06 ppm1 1.077 ppm2 0.403
ASSI { 1429}
( segid " 1SG" and resid 52 and name HD1%)
(( segid " 1SG" and resid 3 and name HB1 ))
5.000 3.100 0.500 peak 1429 weight 0.10000E+01 volume 0.20700E+04 ppm1 0.402 ppm2 1.765
ASSI { 1430}
( segid " 1SG" and resid 52 and name HD2%)
(( segid " 1SG" and resid 3 and name HB1 ))
5.500 3.800 0.000 peak 1430 weight 0.10000E+01 volume 0.98300E+03 ppm1 0.274 ppm2 1.765
ASSI { 1431}
( segid " 1SG" and resid 50 and name HE% )
(( segid " 1SG" and resid 38 and name HZ3 ))
3.000 1.100 1.100 peak 1431 weight 0.10000E+01 volume 0.41200E+05 ppm1 6.765 ppm2 6.088
ASSI { 1433}
( segid " 1SG" and resid 53 and name HD% )
( segid " 1SG" and resid 53 and name HE% )
1.800 0.400 0.400 peak 1433 weight 0.10000E+01 volume 0.96700E+06 ppm1 6.877 ppm2 6.736
ASSI { 1434}
( segid " 1SG" and resid 25 and name HE% )
( segid " 1SG" and resid 25 and name HD% )
2.000 0.500 0.500 peak 1434 weight 0.10000E+01 volume 0.53700E+06 ppm1 6.688 ppm2 6.899
ASSI { 1436}
( segid " 1SG" and resid 25 and name HE% )
(( segid " 1SG" and resid 25 and name HA ))
3.300 1.400 1.400 peak 1436 weight 0.10000E+01 volume 0.22700E+05 ppm1 6.686 ppm2 5.346
ASSI { 1438}
(( segid " 1SG" and resid 25 and name HN ))
(( segid " 1SG" and resid 25 and name HB1 ))
2.500 0.800 0.800 peak 1438 weight 0.10000E+01 volume 0.13400E+06 ppm1 7.636 ppm2 3.098
ASSI { 1439}
( segid " 1SG" and resid 25 and name HD% )
(( segid " 1SG" and resid 25 and name HB1 ))
2.100 0.600 0.600 peak 1439 weight 0.10000E+01 volume 0.37400E+06 ppm1 6.899 ppm2 3.098
ASSI { 1441}
(( segid " 1SG" and resid 33 and name HN ))
(( segid " 1SG" and resid 33 and name HB1 ))
2.700 0.900 0.900 peak 1441 weight 0.10000E+01 volume 0.78900E+05 ppm1 7.398 ppm2 2.666
ASSI { 1442}
(( segid " 1SG" and resid 33 and name HN ))
(( segid " 1SG" and resid 33 and name HA ))
2.700 0.900 0.900 peak 1442 weight 0.10000E+01 volume 0.85400E+05 ppm1 7.390 ppm2 4.457
ASSI { 1443}
(( segid " 1SG" and resid 51 and name HN ))
(( segid " 1SG" and resid 51 and name HB ))
4.500 2.500 1.000 peak 1443 weight 0.10000E+01 volume 0.39800E+04 ppm1 9.196 ppm2 2.323
ASSI { 1445}
( segid " 1SG" and resid 51 and name HG1%)
( segid " 1SG" and resid 51 and name HG2%)
2.000 0.500 0.500 peak 1445 weight 0.10000E+01 volume 0.42500E+06 ppm1 1.000 ppm2 0.847
ASSI { 1448}
(( segid " 1SG" and resid 5 and name HN ))
(( segid " 1SG" and resid 5 and name HB1 ))
3.100 1.200 1.200 peak 1448 weight 0.10000E+01 volume 0.33400E+05 ppm1 9.300 ppm2 2.926
ASSI { 1453}
(( segid " 1SG" and resid 5 and name HD1 ))
(( segid " 1SG" and resid 5 and name HB1 ))
3.200 1.300 1.300 peak 1453 weight 0.10000E+01 volume 0.27700E+05 ppm1 6.961 ppm2 2.923
ASSI { 1456}
(( segid " 1SG" and resid 48 and name HN ))
(( segid " 1SG" and resid 47 and name HB2 ))
4.100 2.100 1.400 peak 1456 weight 0.10000E+01 volume 0.67600E+04 ppm1 8.052 ppm2 1.845
ASSI { 1458}
(( segid " 1SG" and resid 49 and name HN ))
(( segid " 1SG" and resid 48 and name HA ))
2.400 2.400 2.100 peak 1458 weight 0.10000E+01 volume 0.14600E+06 ppm1 8.097 ppm2 4.305
ASSI { 1460}
(( segid " 1SG" and resid 29 and name HG1 ))
( segid " 1SG" and resid 29 and name HG2%)
4.800 2.900 0.700 peak 1460 weight 0.10000E+01 volume 0.25300E+04 ppm1 6.432 ppm2 0.817
ASSI { 1461}
(( segid " 1SG" and resid 29 and name HG1 ))
(( segid " 1SG" and resid 25 and name HA ))
3.200 1.300 1.300 peak 1461 weight 0.10000E+01 volume 0.27100E+05 ppm1 6.433 ppm2 5.345
ASSI { 1464}
(( segid " 1SG" and resid 31 and name HA ))
(( segid " 1SG" and resid 34 and name HG12))
3.200 1.300 1.300 peak 1464 weight 0.10000E+01 volume 0.30500E+05 ppm1 3.371 ppm2 -0.979
ASSI { 1470}
(( segid " 1SG" and resid 34 and name HA ))
( segid " 1SG" and resid 34 and name HD1%)
3.400 1.400 1.400 peak 1470 weight 0.10000E+01 volume 0.18800E+05 ppm1 3.306 ppm2 -1.228
ASSI { 1474}
(( segid " 1SG" and resid 34 and name HN ))
(( segid " 1SG" and resid 31 and name HA ))
2.600 0.800 0.800 peak 1474 weight 0.10000E+01 volume 0.97700E+05 ppm1 6.710 ppm2 3.367
ASSI { 1475}
( segid " 1SG" and resid 14 and name HD% )
(( segid " 1SG" and resid 5 and name HE1 ))
2.700 0.900 0.900 peak 1475 weight 0.10000E+01 volume 0.78600E+05 ppm1 7.170 ppm2 9.735
ASSI { 1476}
(( segid " 1SG" and resid 5 and name HZ2 ))
(( segid " 1SG" and resid 31 and name HN ))
4.000 2.000 1.500 peak 1476 weight 0.10000E+01 volume 0.78000E+04 ppm1 7.518 ppm2 9.865
ASSI { 1477}
(( segid " 1SG" and resid 31 and name HZ ))
(( segid " 1SG" and resid 47 and name HB2 ))
4.400 2.400 1.100 peak 1477 weight 0.10000E+01 volume 0.41800E+04 ppm1 6.643 ppm2 1.866
ASSI { 1479}
(( segid " 1SG" and resid 31 and name HZ ))
(( segid " 1SG" and resid 50 and name HA ))
3.900 1.900 1.600 peak 1479 weight 0.10000E+01 volume 0.92800E+04 ppm1 6.645 ppm2 5.439
ASSI { 1482}
(( segid " 1SG" and resid 5 and name HZ2 ))
(( segid " 1SG" and resid 31 and name HB1 ))
5.400 3.600 0.100 peak 1482 weight 0.10000E+01 volume 0.13000E+04 ppm1 7.518 ppm2 2.459
ASSI { 1483}
(( segid " 1SG" and resid 5 and name HZ2 ))
(( segid " 1SG" and resid 3 and name HB1 ))
5.500 3.800 0.000 peak 1483 weight 0.10000E+01 volume 0.94600E+03 ppm1 7.518 ppm2 1.756
ASSI { 1486}
(( segid " 1SG" and resid 7 and name HN ))
(( segid " 1SG" and resid 13 and name HA ))
3.800 1.800 1.700 peak 1486 weight 0.10000E+01 volume 0.10600E+05 ppm1 8.289 ppm2 5.168
ASSI { 1489}
(( segid " 1SG" and resid 19 and name HN ))
(( segid " 1SG" and resid 18 and name HB1 ))
4.800 2.900 0.700 peak 1489 weight 0.10000E+01 volume 0.24400E+04 ppm1 8.172 ppm2 1.706
ASSI { 1492}
( segid " 1SG" and resid 13 and name HD1%)
(( segid " 1SG" and resid 13 and name HG11))
2.000 0.500 0.500 peak 1492 weight 0.10000E+01 volume 0.47300E+06 ppm1 0.420 ppm2 1.615
ASSI { 1493}
( segid " 1SG" and resid 13 and name HG2%)
(( segid " 1SG" and resid 13 and name HA ))
2.300 0.700 0.700 peak 1493 weight 0.10000E+01 volume 0.19800E+06 ppm1 0.640 ppm2 5.169
ASSI { 1494}
( segid " 1SG" and resid 13 and name HG2%)
(( segid " 1SG" and resid 4 and name HA ))
3.000 1.100 1.100 peak 1494 weight 0.10000E+01 volume 0.47200E+05 ppm1 0.643 ppm2 5.367
ASSI { 1497}
( segid " 1SG" and resid 6 and name HD1%)
(( segid " 1SG" and resid 13 and name HA ))
2.700 0.900 0.900 peak 1497 weight 0.10000E+01 volume 0.87600E+05 ppm1 0.421 ppm2 5.169
ASSI { 1499}
(( segid " 1SG" and resid 13 and name HG11))
(( segid " 1SG" and resid 13 and name HA ))
5.200 3.400 0.300 peak 1499 weight 0.10000E+01 volume 0.16100E+04 ppm1 1.619 ppm2 5.168
ASSI { 1500}
(( segid " 1SG" and resid 13 and name HB ))
(( segid " 1SG" and resid 13 and name HA ))
2.900 1.100 1.100 peak 1500 weight 0.10000E+01 volume 0.53100E+05 ppm1 1.454 ppm2 5.170
ASSI { 1505}
(( segid " 1SG" and resid 5 and name HZ3 ))
(( segid " 1SG" and resid 51 and name HA ))
2.500 2.500 2.000 peak 1505 weight 0.10000E+01 volume 0.11400E+06 ppm1 6.981 ppm2 4.986
ASSI { 1510}
( segid " 1SG" and resid 53 and name HE% )
(( segid " 1SG" and resid 6 and name HG12))
2.300 0.700 0.700 peak 1510 weight 0.10000E+01 volume 0.20500E+06 ppm1 6.725 ppm2 0.613
ASSI { 1523}
(( segid " 1SG" and resid 43 and name HN ))
(( segid " 1SG" and resid 40 and name HB2 ))
3.000 1.100 1.100 peak 1523 weight 0.10000E+01 volume 0.39000E+05 ppm1 7.388 ppm2 2.898
ASSI { 1533}
(( segid " 1SG" and resid 42 and name HN ))
(( segid " 1SG" and resid 40 and name HB1 ))
2.400 2.400 2.100 peak 1533 weight 0.10000E+01 volume 0.17000E+06 ppm1 8.050 ppm2 3.108
ASSI { 1534}
(( segid " 1SG" and resid 42 and name HN ))
(( segid " 1SG" and resid 40 and name HB2 ))
2.700 0.900 0.900 peak 1534 weight 0.10000E+01 volume 0.82000E+05 ppm1 8.046 ppm2 2.926
ASSI { 1539}
(( segid " 1SG" and resid 55 and name HN ))
(( segid " 1SG" and resid 55 and name HB1 ))
2.800 1.000 1.000 peak 1539 weight 0.10000E+01 volume 0.68400E+05 ppm1 7.951 ppm2 1.911
ASSI { 1540}
(( segid " 1SG" and resid 7 and name HB1 ))
( segid " 1SG" and resid 6 and name HD1%)
2.600 0.800 0.800 peak 1540 weight 0.10000E+01 volume 0.10100E+06 ppm1 2.988 ppm2 0.437
ASSI { 1543}
(( segid " 1SG" and resid 33 and name HB1 ))
( segid " 1SG" and resid 29 and name HG2%)
5.400 3.600 0.100 peak 1543 weight 0.10000E+01 volume 0.12300E+04 ppm1 2.684 ppm2 0.819
ASSI { 1548}
(( segid " 1SG" and resid 24 and name HA1 ))
(( segid " 1SG" and resid 24 and name HA2 ))
2.000 0.500 0.500 peak 1548 weight 0.10000E+01 volume 0.48700E+06 ppm1 3.907 ppm2 3.625
ASSI { 1551}
(( segid " 1SG" and resid 52 and name HA ))
(( segid " 1SG" and resid 5 and name HA ))
2.600 0.800 0.800 peak 1551 weight 0.10000E+01 volume 0.94500E+05 ppm1 3.428 ppm2 5.069
ASSI { 1552}
(( segid " 1SG" and resid 43 and name HB1 ))
(( segid " 1SG" and resid 43 and name HA ))
2.400 0.700 0.700 peak 1552 weight 0.10000E+01 volume 0.17600E+06 ppm1 3.281 ppm2 4.973
ASSI { 1555}
(( segid " 1SG" and resid 20 and name HB1 ))
(( segid " 1SG" and resid 20 and name HA ))
2.200 2.200 2.300 peak 1555 weight 0.10000E+01 volume 0.31400E+06 ppm1 3.043 ppm2 4.772
ASSI { 1558}
(( segid " 1SG" and resid 25 and name HB2 ))
(( segid " 1SG" and resid 25 and name HA ))
2.700 0.900 0.900 peak 1558 weight 0.10000E+01 volume 0.78900E+05 ppm1 2.890 ppm2 5.347
ASSI { 1560}
(( segid " 1SG" and resid 5 and name HB2 ))
(( segid " 1SG" and resid 5 and name HA ))
2.600 0.800 0.800 peak 1560 weight 0.10000E+01 volume 0.10000E+06 ppm1 2.790 ppm2 5.059
ASSI { 1561}
(( segid " 1SG" and resid 14 and name HB2 ))
(( segid " 1SG" and resid 14 and name HA ))
3.000 1.100 1.100 peak 1561 weight 0.10000E+01 volume 0.46800E+05 ppm1 2.865 ppm2 4.884
ASSI { 1563}
(( segid " 1SG" and resid 15 and name HB1 ))
(( segid " 1SG" and resid 15 and name HA ))
2.500 0.800 0.800 peak 1563 weight 0.10000E+01 volume 0.13500E+06 ppm1 2.845 ppm2 4.776
ASSI { 1564}
(( segid " 1SG" and resid 37 and name HB1 ))
(( segid " 1SG" and resid 37 and name HA ))
2.600 0.800 0.800 peak 1564 weight 0.10000E+01 volume 0.91800E+05 ppm1 2.865 ppm2 4.574
ASSI { 1567}
(( segid " 1SG" and resid 43 and name HB2 ))
(( segid " 1SG" and resid 43 and name HA ))
2.300 0.700 0.700 peak 1567 weight 0.10000E+01 volume 0.23800E+06 ppm1 2.532 ppm2 4.974
ASSI { 1568}
(( segid " 1SG" and resid 10 and name HB2 ))
(( segid " 1SG" and resid 10 and name HA ))
2.200 0.600 0.600 peak 1568 weight 0.10000E+01 volume 0.25300E+06 ppm1 2.456 ppm2 5.102
ASSI { 1569}
(( segid " 1SG" and resid 51 and name HB ))
(( segid " 1SG" and resid 51 and name HA ))
2.200 2.200 2.300 peak 1569 weight 0.10000E+01 volume 0.29900E+06 ppm1 2.324 ppm2 4.986
ASSI { 1570}
(( segid " 1SG" and resid 4 and name HB1 ))
(( segid " 1SG" and resid 4 and name HA ))
3.500 1.500 1.500 peak 1570 weight 0.10000E+01 volume 0.17200E+05 ppm1 1.843 ppm2 5.343
ASSI { 1571}
(( segid " 1SG" and resid 4 and name HB2 ))
(( segid " 1SG" and resid 4 and name HA ))
2.400 0.700 0.700 peak 1571 weight 0.10000E+01 volume 0.15300E+06 ppm1 1.592 ppm2 5.347
ASSI { 1573}
( segid " 1SG" and resid 51 and name HG1%)
(( segid " 1SG" and resid 50 and name HA ))
2.800 1.000 1.000 peak 1573 weight 0.10000E+01 volume 0.61600E+05 ppm1 1.005 ppm2 5.435
ASSI { 1575}
( segid " 1SG" and resid 51 and name HG1%)
(( segid " 1SG" and resid 51 and name HA ))
2.100 0.600 0.600 peak 1575 weight 0.10000E+01 volume 0.35800E+06 ppm1 1.000 ppm2 4.986
ASSI { 1576}
(( segid " 1SG" and resid 52 and name HB2 ))
(( segid " 1SG" and resid 51 and name HA ))
2.800 2.800 1.700 peak 1576 weight 0.10000E+01 volume 0.60600E+05 ppm1 1.098 ppm2 4.991
ASSI { 1577}
(( segid " 1SG" and resid 6 and name HB ))
(( segid " 1SG" and resid 13 and name HA ))
3.200 1.300 1.300 peak 1577 weight 0.10000E+01 volume 0.27800E+05 ppm1 1.201 ppm2 5.164
ASSI { 1578}
( segid " 1SG" and resid 46 and name HG2%)
(( segid " 1SG" and resid 46 and name HB ))
1.900 0.500 0.500 peak 1578 weight 0.10000E+01 volume 0.59300E+06 ppm1 1.324 ppm2 4.833
ASSI { 1579}
( segid " 1SG" and resid 46 and name HG2%)
(( segid " 1SG" and resid 46 and name HA ))
2.300 0.700 0.700 peak 1579 weight 0.10000E+01 volume 0.21700E+06 ppm1 1.325 ppm2 4.678
ASSI { 1581}
(( segid " 1SG" and resid 3 and name HB2 ))
(( segid " 1SG" and resid 3 and name HA ))
2.400 0.700 0.700 peak 1581 weight 0.10000E+01 volume 0.16500E+06 ppm1 1.194 ppm2 4.583
ASSI { 1583}
( segid " 1SG" and resid 6 and name HG2%)
(( segid " 1SG" and resid 53 and name HA ))
2.600 0.800 0.800 peak 1583 weight 0.10000E+01 volume 0.10300E+06 ppm1 0.857 ppm2 4.481
ASSI { 1584}
(( segid " 1SG" and resid 3 and name HG ))
(( segid " 1SG" and resid 3 and name HA ))
2.100 0.600 0.600 peak 1584 weight 0.10000E+01 volume 0.38900E+06 ppm1 0.768 ppm2 4.584
ASSI { 1592}
( segid " 1SG" and resid 29 and name HG2%)
(( segid " 1SG" and resid 34 and name HA ))
3.400 1.400 1.400 peak 1592 weight 0.10000E+01 volume 0.18900E+05 ppm1 0.822 ppm2 3.310
ASSI { 1601}
( segid " 1SG" and resid 8 and name HD1%)
(( segid " 1SG" and resid 8 and name HB ))
3.800 1.800 1.700 peak 1601 weight 0.10000E+01 volume 0.10500E+05 ppm1 0.882 ppm2 2.086
ASSI { 1603}
(( segid " 1SG" and resid 52 and name HG ))
(( segid " 1SG" and resid 52 and name HB1 ))
4.100 2.100 1.400 peak 1603 weight 0.10000E+01 volume 0.62100E+04 ppm1 0.954 ppm2 1.225
ASSI { 1610}
(( segid " 1SG" and resid 44 and name HA2 ))
(( segid " 1SG" and resid 44 and name HA1 ))
2.000 0.500 0.500 peak 1610 weight 0.10000E+01 volume 0.49800E+06 ppm1 3.568 ppm2 4.214
ASSI { 1613}
(( segid " 1SG" and resid 37 and name HB2 ))
(( segid " 1SG" and resid 37 and name HA ))
2.300 0.700 0.700 peak 1613 weight 0.10000E+01 volume 0.22500E+06 ppm1 2.583 ppm2 4.573
ASSI { 1615}
(( segid " 1SG" and resid 39 and name HB1 ))
(( segid " 1SG" and resid 39 and name HA ))
2.400 0.700 0.700 peak 1615 weight 0.10000E+01 volume 0.18200E+06 ppm1 2.313 ppm2 4.626
ASSI { 1616}
(( segid " 1SG" and resid 39 and name HB2 ))
(( segid " 1SG" and resid 39 and name HA ))
2.400 0.700 0.700 peak 1616 weight 0.10000E+01 volume 0.17600E+06 ppm1 2.208 ppm2 4.610
ASSI { 1620}
(( segid " 1SG" and resid 3 and name HB1 ))
(( segid " 1SG" and resid 3 and name HA ))
2.400 0.700 0.700 peak 1620 weight 0.10000E+01 volume 0.17700E+06 ppm1 1.762 ppm2 4.584
ASSI { 1623}
(( segid " 1SG" and resid 47 and name HB1 ))
(( segid " 1SG" and resid 48 and name HA ))
2.200 2.200 2.300 peak 1623 weight 0.10000E+01 volume 0.27500E+06 ppm1 1.986 ppm2 4.320
ASSI { 1624}
(( segid " 1SG" and resid 23 and name HB1 ))
(( segid " 1SG" and resid 23 and name HA ))
2.000 0.500 0.500 peak 1624 weight 0.10000E+01 volume 0.52500E+06 ppm1 1.963 ppm2 4.060
ASSI { 1626}
(( segid " 1SG" and resid 23 and name HB2 ))
(( segid " 1SG" and resid 23 and name HA ))
2.700 0.900 0.900 peak 1626 weight 0.10000E+01 volume 0.73400E+05 ppm1 1.477 ppm2 4.075
ASSI { 1630}
( segid " 1SG" and resid 9 and name HG2%)
(( segid " 1SG" and resid 9 and name HB ))
2.000 0.500 0.500 peak 1630 weight 0.10000E+01 volume 0.43700E+06 ppm1 1.172 ppm2 4.377
ASSI { 1631}
(( segid " 1SG" and resid 18 and name HB1 ))
(( segid " 1SG" and resid 18 and name HA ))
2.100 0.600 0.600 peak 1631 weight 0.10000E+01 volume 0.39600E+06 ppm1 1.696 ppm2 4.250
ASSI { 1643}
( segid " 1SG" and resid 50 and name HE% )
( segid " 1SG" and resid 50 and name HD% )
2.000 0.500 0.500 peak 1643 weight 0.10000E+01 volume 0.48300E+06 ppm1 6.758 ppm2 7.135
ASSI { 2}
(( segid " 1SG" and resid 38 and name HZ2 ))
(( segid " 1SG" and resid 38 and name HE1 ))
2.400 0.700 0.700 peak 2 weight 0.10000E+01 volume 0.73800E+05 ppm1 7.229 ppm2 10.704
ASSI { 11}
(( segid " 1SG" and resid 52 and name HA ))
(( segid " 1SG" and resid 6 and name HN ))
3.200 1.300 1.300 peak 11 weight 0.10000E+01 volume 0.13800E+05 ppm1 3.553 ppm2 10.213
ASSI { 16}
( segid " 1SG" and resid 6 and name HG2%)
(( segid " 1SG" and resid 6 and name HN ))
2.200 0.600 0.600 peak 16 weight 0.10000E+01 volume 0.12400E+06 ppm1 0.964 ppm2 10.212
ASSI { 18}
(( segid " 1SG" and resid 32 and name HN ))
(( segid " 1SG" and resid 31 and name HN ))
2.500 0.800 0.800 peak 18 weight 0.10000E+01 volume 0.56200E+05 ppm1 9.176 ppm2 9.975
ASSI { 26}
(( segid " 1SG" and resid 31 and name HB1 ))
(( segid " 1SG" and resid 31 and name HN ))
2.100 0.600 0.600 peak 26 weight 0.10000E+01 volume 0.15900E+06 ppm1 2.575 ppm2 9.972
ASSI { 34}
(( segid " 1SG" and resid 14 and name HB2 ))
(( segid " 1SG" and resid 14 and name HN ))
2.300 0.700 0.700 peak 34 weight 0.10000E+01 volume 0.98900E+05 ppm1 2.980 ppm2 9.835
ASSI { 39}
(( segid " 1SG" and resid 13 and name HN ))
(( segid " 1SG" and resid 14 and name HN ))
3.600 1.600 1.600 peak 39 weight 0.10000E+01 volume 0.68800E+04 ppm1 7.779 ppm2 9.824
ASSI { 42}
( segid " 1SG" and resid 50 and name HE% )
(( segid " 1SG" and resid 14 and name HN ))
2.800 1.000 1.000 peak 42 weight 0.10000E+01 volume 0.29400E+05 ppm1 6.878 ppm2 9.834
ASSI { 55}
(( segid " 1SG" and resid 5 and name HB2 ))
(( segid " 1SG" and resid 5 and name HN ))
2.400 0.700 0.700 peak 55 weight 0.10000E+01 volume 0.75100E+05 ppm1 2.909 ppm2 9.396
ASSI { 58}
(( segid " 1SG" and resid 10 and name HN ))
(( segid " 1SG" and resid 9 and name HN ))
2.200 0.600 0.600 peak 58 weight 0.10000E+01 volume 0.12900E+06 ppm1 8.755 ppm2 9.374
ASSI { 91}
(( segid " 1SG" and resid 7 and name HN ))
(( segid " 1SG" and resid 8 and name HN ))
5.300 3.500 0.200 peak 91 weight 0.10000E+01 volume 0.69900E+03 ppm1 8.386 ppm2 9.238
ASSI { 96}
( segid " 1SG" and resid 50 and name HE% )
(( segid " 1SG" and resid 40 and name HN ))
3.000 1.100 1.100 peak 96 weight 0.10000E+01 volume 0.22200E+05 ppm1 6.881 ppm2 9.233
ASSI { 97}
(( segid " 1SG" and resid 39 and name HB1 ))
(( segid " 1SG" and resid 40 and name HN ))
2.600 0.800 0.800 peak 97 weight 0.10000E+01 volume 0.53500E+05 ppm1 2.434 ppm2 9.232
ASSI { 100}
(( segid " 1SG" and resid 40 and name HB2 ))
(( segid " 1SG" and resid 40 and name HN ))
2.000 2.000 2.500 peak 100 weight 0.10000E+01 volume 0.21200E+06 ppm1 3.017 ppm2 9.213
ASSI { 101}
(( segid " 1SG" and resid 25 and name HN ))
(( segid " 1SG" and resid 20 and name HN ))
2.800 1.000 1.000 peak 101 weight 0.10000E+01 volume 0.30000E+05 ppm1 7.733 ppm2 9.192
ASSI { 110}
(( segid " 1SG" and resid 31 and name HB1 ))
(( segid " 1SG" and resid 32 and name HN ))
4.200 2.200 1.300 peak 110 weight 0.10000E+01 volume 0.26200E+04 ppm1 2.579 ppm2 9.179
ASSI { 115}
(( segid " 1SG" and resid 7 and name HN ))
(( segid " 1SG" and resid 12 and name HN ))
3.400 1.400 1.400 peak 115 weight 0.10000E+01 volume 0.10200E+05 ppm1 8.390 ppm2 9.163
ASSI { 119}
(( segid " 1SG" and resid 16 and name HN ))
(( segid " 1SG" and resid 3 and name HN ))
3.600 1.600 1.600 peak 119 weight 0.10000E+01 volume 0.72600E+04 ppm1 8.591 ppm2 9.073
ASSI { 120}
(( segid " 1SG" and resid 2 and name HN ))
(( segid " 1SG" and resid 3 and name HN ))
3.600 1.600 1.600 peak 120 weight 0.10000E+01 volume 0.66000E+04 ppm1 8.366 ppm2 9.071
ASSI { 124}
(( segid " 1SG" and resid 16 and name HB2 ))
(( segid " 1SG" and resid 3 and name HN ))
2.700 0.900 0.900 peak 124 weight 0.10000E+01 volume 0.39100E+05 ppm1 2.088 ppm2 9.075
ASSI { 152}
(( segid " 1SG" and resid 19 and name HA1 ))
(( segid " 1SG" and resid 14 and name HH ))
5.500 3.800 0.000 peak 152 weight 0.10000E+01 volume 0.92900E+02 ppm1 4.025 ppm2 8.723
ASSI { 156}
(( segid " 1SG" and resid 48 and name HN ))
(( segid " 1SG" and resid 47 and name HN ))
2.600 0.800 0.800 peak 156 weight 0.10000E+01 volume 0.49700E+05 ppm1 8.132 ppm2 8.695
ASSI { 169}
(( segid " 1SG" and resid 5 and name HD1 ))
(( segid " 1SG" and resid 16 and name HN ))
3.100 1.200 1.200 peak 169 weight 0.10000E+01 volume 0.18100E+05 ppm1 7.075 ppm2 8.594
ASSI { 180}
(( segid " 1SG" and resid 24 and name HN ))
(( segid " 1SG" and resid 22 and name HN ))
5.500 3.800 0.000 peak 180 weight 0.10000E+01 volume 0.48200E+03 ppm1 7.617 ppm2 8.468
ASSI { 181}
(( segid " 1SG" and resid 23 and name HN ))
(( segid " 1SG" and resid 22 and name HN ))
2.400 0.700 0.700 peak 181 weight 0.10000E+01 volume 0.88600E+05 ppm1 7.490 ppm2 8.464
ASSI { 192}
( segid " 1SG" and resid 50 and name HE% )
(( segid " 1SG" and resid 7 and name HN ))
3.000 1.100 1.100 peak 192 weight 0.10000E+01 volume 0.20200E+05 ppm1 6.880 ppm2 8.397
ASSI { 195}
(( segid " 1SG" and resid 7 and name HB1 ))
(( segid " 1SG" and resid 7 and name HN ))
2.300 0.700 0.700 peak 195 weight 0.10000E+01 volume 0.94900E+05 ppm1 3.066 ppm2 8.393
ASSI { 201}
(( segid " 1SG" and resid 29 and name HG1 ))
(( segid " 1SG" and resid 26 and name HN ))
3.200 1.300 1.300 peak 201 weight 0.10000E+01 volume 0.13300E+05 ppm1 6.503 ppm2 8.368
ASSI { 204}
(( segid " 1SG" and resid 2 and name HB1 ))
(( segid " 1SG" and resid 2 and name HN ))
3.200 1.300 1.300 peak 204 weight 0.10000E+01 volume 0.14800E+05 ppm1 3.335 ppm2 8.357
ASSI { 212}
( segid " 1SG" and resid 17 and name HB% )
(( segid " 1SG" and resid 17 and name HN ))
1.800 0.400 0.400 peak 212 weight 0.10000E+01 volume 0.44900E+06 ppm1 1.349 ppm2 8.334
ASSI { 216}
(( segid " 1SG" and resid 51 and name HB ))
(( segid " 1SG" and resid 52 and name HN ))
2.200 2.200 2.300 peak 216 weight 0.10000E+01 volume 0.13300E+06 ppm1 2.436 ppm2 8.324
ASSI { 236}
(( segid " 1SG" and resid 43 and name HN ))
(( segid " 1SG" and resid 42 and name HN ))
2.200 0.600 0.600 peak 236 weight 0.10000E+01 volume 0.14300E+06 ppm1 7.459 ppm2 8.166
ASSI { 248}
(( segid " 1SG" and resid 29 and name HN ))
(( segid " 1SG" and resid 28 and name HN ))
2.200 0.600 0.600 peak 248 weight 0.10000E+01 volume 0.12700E+06 ppm1 7.500 ppm2 8.084
ASSI { 253}
(( segid " 1SG" and resid 43 and name HN ))
(( segid " 1SG" and resid 44 and name HN ))
2.100 0.600 0.600 peak 253 weight 0.10000E+01 volume 0.20200E+06 ppm1 7.460 ppm2 8.038
ASSI { 327}
(( segid " 1SG" and resid 16 and name HB2 ))
( segid " 1SG" and resid 2 and name HD% )
3.400 1.400 1.400 peak 327 weight 0.10000E+01 volume 0.91600E+04 ppm1 2.084 ppm2 7.313
ASSI { 329}
(( segid " 1SG" and resid 14 and name HB2 ))
( segid " 1SG" and resid 14 and name HD% )
2.000 0.500 0.500 peak 329 weight 0.10000E+01 volume 0.26900E+06 ppm1 2.979 ppm2 7.297
ASSI { 342}
(( segid " 1SG" and resid 5 and name HB2 ))
( segid " 1SG" and resid 50 and name HD% )
2.400 0.700 0.700 peak 342 weight 0.10000E+01 volume 0.80300E+05 ppm1 2.909 ppm2 7.257
ASSI { 348}
(( segid " 1SG" and resid 40 and name HA ))
(( segid " 1SG" and resid 38 and name HZ2 ))
5.500 3.800 0.000 peak 348 weight 0.10000E+01 volume 0.24700E+03 ppm1 3.615 ppm2 7.230
ASSI { 364}
(( segid " 1SG" and resid 31 and name HB1 ))
(( segid " 1SG" and resid 5 and name HD1 ))
3.400 1.400 1.400 peak 364 weight 0.10000E+01 volume 0.10300E+05 ppm1 2.571 ppm2 7.078
OR { 364}
(( segid " 1SG" and resid 31 and name HB1 ))
(( segid " 1SG" and resid 5 and name HZ3 ))
ASSI { 369}
(( segid " 1SG" and resid 20 and name HB1 ))
( segid " 1SG" and resid 25 and name HD% )
2.600 0.800 0.800 peak 369 weight 0.10000E+01 volume 0.49400E+05 ppm1 3.147 ppm2 7.023
ASSI { 381}
(( segid " 1SG" and resid 4 and name HB2 ))
( segid " 1SG" and resid 53 and name HD% )
3.700 1.700 1.700 peak 381 weight 0.10000E+01 volume 0.55200E+04 ppm1 1.691 ppm2 6.988
ASSI { 382}
(( segid " 1SG" and resid 6 and name HB ))
( segid " 1SG" and resid 53 and name HD% )
3.500 1.500 1.500 peak 382 weight 0.10000E+01 volume 0.78000E+04 ppm1 1.320 ppm2 6.992
ASSI { 401}
(( segid " 1SG" and resid 7 and name HB2 ))
( segid " 1SG" and resid 50 and name HE% )
3.400 1.400 1.400 peak 401 weight 0.10000E+01 volume 0.10700E+05 ppm1 2.461 ppm2 6.887
ASSI { 421}
( segid " 1SG" and resid 31 and name HE% )
(( segid " 1SG" and resid 31 and name HZ ))
2.000 0.500 0.500 peak 421 weight 0.10000E+01 volume 0.25400E+06 ppm1 6.491 ppm2 6.744
ASSI { 431}
(( segid " 1SG" and resid 31 and name HA ))
(( segid " 1SG" and resid 25 and name HZ ))
3.400 1.400 1.400 peak 431 weight 0.10000E+01 volume 0.10300E+05 ppm1 3.480 ppm2 6.670
ASSI { 461}
(( segid " 1SG" and resid 38 and name HH2 ))
(( segid " 1SG" and resid 38 and name HZ3 ))
2.200 0.600 0.600 peak 461 weight 0.10000E+01 volume 0.14000E+06 ppm1 6.995 ppm2 6.218
ASSI { 462}
(( segid " 1SG" and resid 38 and name HE3 ))
(( segid " 1SG" and resid 38 and name HZ3 ))
2.200 0.600 0.600 peak 462 weight 0.10000E+01 volume 0.12300E+06 ppm1 6.829 ppm2 6.220
ASSI { 479}
(( segid " 1SG" and resid 51 and name HN ))
(( segid " 1SG" and resid 50 and name HA ))
1.800 0.400 0.400 peak 479 weight 0.10000E+01 volume 0.40600E+06 ppm1 9.287 ppm2 5.551
ASSI { 480}
(( segid " 1SG" and resid 50 and name HB1 ))
(( segid " 1SG" and resid 50 and name HA ))
3.000 1.100 1.100 peak 480 weight 0.10000E+01 volume 0.22700E+05 ppm1 3.797 ppm2 5.552
ASSI { 485}
(( segid " 1SG" and resid 7 and name HN ))
(( segid " 1SG" and resid 6 and name HA ))
1.800 0.400 0.400 peak 485 weight 0.10000E+01 volume 0.40200E+06 ppm1 8.387 ppm2 5.494
ASSI { 487}
(( segid " 1SG" and resid 6 and name HB ))
(( segid " 1SG" and resid 6 and name HA ))
1.900 0.500 0.500 peak 487 weight 0.10000E+01 volume 0.29000E+06 ppm1 1.321 ppm2 5.496
ASSI { 488}
(( segid " 1SG" and resid 13 and name HG12))
(( segid " 1SG" and resid 6 and name HA ))
3.200 1.300 1.300 peak 488 weight 0.10000E+01 volume 0.13200E+05 ppm1 0.639 ppm2 5.497
ASSI { 490}
(( segid " 1SG" and resid 16 and name HN ))
(( segid " 1SG" and resid 4 and name HA ))
2.600 0.800 0.800 peak 490 weight 0.10000E+01 volume 0.48300E+05 ppm1 8.591 ppm2 5.457
ASSI { 493}
(( segid " 1SG" and resid 25 and name HN ))
(( segid " 1SG" and resid 25 and name HA ))
2.600 0.800 0.800 peak 493 weight 0.10000E+01 volume 0.53300E+05 ppm1 7.733 ppm2 5.445
ASSI { 494}
( segid " 1SG" and resid 25 and name HD% )
(( segid " 1SG" and resid 25 and name HA ))
2.000 0.500 0.500 peak 494 weight 0.10000E+01 volume 0.22000E+06 ppm1 7.017 ppm2 5.443
ASSI { 495}
(( segid " 1SG" and resid 25 and name HB1 ))
(( segid " 1SG" and resid 25 and name HA ))
2.500 0.800 0.800 peak 495 weight 0.10000E+01 volume 0.56400E+05 ppm1 3.214 ppm2 5.442
ASSI { 497}
(( segid " 1SG" and resid 14 and name HN ))
(( segid " 1SG" and resid 13 and name HA ))
1.800 0.400 0.400 peak 497 weight 0.10000E+01 volume 0.40700E+06 ppm1 9.828 ppm2 5.285
ASSI { 499}
(( segid " 1SG" and resid 13 and name HG12))
(( segid " 1SG" and resid 13 and name HA ))
2.400 0.700 0.700 peak 499 weight 0.10000E+01 volume 0.73800E+05 ppm1 0.641 ppm2 5.284
ASSI { 501}
(( segid " 1SG" and resid 10 and name HB1 ))
(( segid " 1SG" and resid 10 and name HA ))
2.200 0.600 0.600 peak 501 weight 0.10000E+01 volume 0.13400E+06 ppm1 3.514 ppm2 5.212
ASSI { 505}
(( segid " 1SG" and resid 53 and name HN ))
(( segid " 1SG" and resid 5 and name HA ))
2.200 0.600 0.600 peak 505 weight 0.10000E+01 volume 0.13700E+06 ppm1 8.807 ppm2 5.179
ASSI { 508}
(( segid " 1SG" and resid 52 and name HN ))
(( segid " 1SG" and resid 51 and name HA ))
2.000 0.500 0.500 peak 508 weight 0.10000E+01 volume 0.23400E+06 ppm1 8.318 ppm2 5.095
ASSI { 523}
(( segid " 1SG" and resid 48 and name HN ))
(( segid " 1SG" and resid 48 and name HA ))
2.300 0.700 0.700 peak 523 weight 0.10000E+01 volume 0.10100E+06 ppm1 8.131 ppm2 4.424
ASSI { 525}
( segid " 1SG" and resid 26 and name HG2%)
(( segid " 1SG" and resid 26 and name HB ))
2.200 0.600 0.600 peak 525 weight 0.10000E+01 volume 0.13400E+06 ppm1 1.442 ppm2 4.431
ASSI { 528}
(( segid " 1SG" and resid 45 and name HN ))
(( segid " 1SG" and resid 45 and name HA ))
2.300 0.700 0.700 peak 528 weight 0.10000E+01 volume 0.91400E+05 ppm1 9.274 ppm2 4.350
ASSI { 538}
(( segid " 1SG" and resid 12 and name HN ))
(( segid " 1SG" and resid 12 and name HA ))
2.400 0.700 0.700 peak 538 weight 0.10000E+01 volume 0.76500E+05 ppm1 9.163 ppm2 4.279
ASSI { 539}
(( segid " 1SG" and resid 22 and name HN ))
(( segid " 1SG" and resid 22 and name HA ))
2.500 0.800 0.800 peak 539 weight 0.10000E+01 volume 0.66400E+05 ppm1 8.460 ppm2 4.278
ASSI { 541}
(( segid " 1SG" and resid 13 and name HN ))
(( segid " 1SG" and resid 12 and name HA ))
1.800 0.400 0.400 peak 541 weight 0.10000E+01 volume 0.42900E+06 ppm1 7.775 ppm2 4.272
ASSI { 544}
(( segid " 1SG" and resid 30 and name HN ))
(( segid " 1SG" and resid 29 and name HA ))
1.800 0.400 0.400 peak 544 weight 0.10000E+01 volume 0.45700E+06 ppm1 9.362 ppm2 4.216
ASSI { 548}
(( segid " 1SG" and resid 29 and name HG1 ))
(( segid " 1SG" and resid 29 and name HB ))
2.200 0.600 0.600 peak 548 weight 0.10000E+01 volume 0.14700E+06 ppm1 6.502 ppm2 4.200
ASSI { 549}
(( segid " 1SG" and resid 31 and name HN ))
(( segid " 1SG" and resid 30 and name HA ))
2.000 0.500 0.500 peak 549 weight 0.10000E+01 volume 0.22400E+06 ppm1 9.969 ppm2 4.175
ASSI { 551}
(( segid " 1SG" and resid 30 and name HB1 ))
(( segid " 1SG" and resid 30 and name HA ))
2.500 0.800 0.800 peak 551 weight 0.10000E+01 volume 0.62100E+05 ppm1 2.244 ppm2 4.174
ASSI { 552}
(( segid " 1SG" and resid 47 and name HN ))
(( segid " 1SG" and resid 47 and name HA ))
2.400 0.700 0.700 peak 552 weight 0.10000E+01 volume 0.74700E+05 ppm1 8.692 ppm2 4.158
ASSI { 553}
(( segid " 1SG" and resid 48 and name HN ))
(( segid " 1SG" and resid 47 and name HA ))
3.000 1.100 1.100 peak 553 weight 0.10000E+01 volume 0.20600E+05 ppm1 8.132 ppm2 4.157
ASSI { 554}
( segid " 1SG" and resid 50 and name HD% )
(( segid " 1SG" and resid 47 and name HA ))
2.400 0.700 0.700 peak 554 weight 0.10000E+01 volume 0.77500E+05 ppm1 7.246 ppm2 4.158
ASSI { 555}
(( segid " 1SG" and resid 31 and name HZ ))
(( segid " 1SG" and resid 47 and name HA ))
2.600 0.800 0.800 peak 555 weight 0.10000E+01 volume 0.47800E+05 ppm1 6.740 ppm2 4.157
ASSI { 558}
(( segid " 1SG" and resid 38 and name HZ3 ))
(( segid " 1SG" and resid 47 and name HA ))
3.500 1.500 1.500 peak 558 weight 0.10000E+01 volume 0.80500E+04 ppm1 6.212 ppm2 4.152
ASSI { 565}
(( segid " 1SG" and resid 22 and name HN ))
(( segid " 1SG" and resid 21 and name HA ))
3.100 1.200 1.200 peak 565 weight 0.10000E+01 volume 0.16200E+05 ppm1 8.460 ppm2 4.048
ASSI { 571}
( segid " 1SG" and resid 14 and name HE% )
(( segid " 1SG" and resid 19 and name HA1 ))
2.600 0.800 0.800 peak 571 weight 0.10000E+01 volume 0.44100E+05 ppm1 6.636 ppm2 4.014
ASSI { 574}
( segid " 1SG" and resid 14 and name HE% )
(( segid " 1SG" and resid 16 and name HA ))
2.200 0.600 0.600 peak 574 weight 0.10000E+01 volume 0.13300E+06 ppm1 6.636 ppm2 3.927
ASSI { 583}
(( segid " 1SG" and resid 51 and name HN ))
(( segid " 1SG" and resid 50 and name HB1 ))
3.600 1.600 1.600 peak 583 weight 0.10000E+01 volume 0.64500E+04 ppm1 9.290 ppm2 3.792
ASSI { 584}
(( segid " 1SG" and resid 20 and name HN ))
(( segid " 1SG" and resid 19 and name HA2 ))
2.000 0.500 0.500 peak 584 weight 0.10000E+01 volume 0.22900E+06 ppm1 9.188 ppm2 3.788
ASSI { 585}
(( segid " 1SG" and resid 11 and name HN ))
(( segid " 1SG" and resid 11 and name HA2 ))
2.000 0.500 0.500 peak 585 weight 0.10000E+01 volume 0.22300E+06 ppm1 8.202 ppm2 3.785
ASSI { 587}
( segid " 1SG" and resid 50 and name HD% )
(( segid " 1SG" and resid 50 and name HB1 ))
2.000 0.500 0.500 peak 587 weight 0.10000E+01 volume 0.24600E+06 ppm1 7.239 ppm2 3.777
ASSI { 589}
( segid " 1SG" and resid 31 and name HE% )
(( segid " 1SG" and resid 50 and name HB1 ))
2.700 0.900 0.900 peak 589 weight 0.10000E+01 volume 0.35900E+05 ppm1 6.497 ppm2 3.783
ASSI { 592}
(( segid " 1SG" and resid 50 and name HB2 ))
(( segid " 1SG" and resid 50 and name HB1 ))
1.800 0.400 0.400 peak 592 weight 0.10000E+01 volume 0.43500E+06 ppm1 2.633 ppm2 3.782
ASSI { 599}
(( segid " 1SG" and resid 26 and name HB ))
(( segid " 1SG" and resid 24 and name HA2 ))
5.500 3.800 0.000 peak 599 weight 0.10000E+01 volume 0.30600E+03 ppm1 4.428 ppm2 3.729
ASSI { 603}
(( segid " 1SG" and resid 29 and name HN ))
(( segid " 1SG" and resid 27 and name HA ))
3.000 1.100 1.100 peak 603 weight 0.10000E+01 volume 0.20300E+05 ppm1 7.502 ppm2 3.686
ASSI { 609}
(( segid " 1SG" and resid 7 and name HN ))
(( segid " 1SG" and resid 7 and name HA ))
2.700 0.900 0.900 peak 609 weight 0.10000E+01 volume 0.36900E+05 ppm1 8.388 ppm2 3.636
ASSI { 612}
(( segid " 1SG" and resid 38 and name HH2 ))
(( segid " 1SG" and resid 40 and name HA ))
3.900 1.900 1.600 peak 612 weight 0.10000E+01 volume 0.42500E+04 ppm1 6.992 ppm2 3.617
ASSI { 613}
( segid " 1SG" and resid 50 and name HE% )
(( segid " 1SG" and resid 40 and name HA ))
2.500 0.800 0.800 peak 613 weight 0.10000E+01 volume 0.56400E+05 ppm1 6.878 ppm2 3.615
ASSI { 617}
(( segid " 1SG" and resid 53 and name HN ))
(( segid " 1SG" and resid 52 and name HA ))
1.800 0.400 0.400 peak 617 weight 0.10000E+01 volume 0.38800E+06 ppm1 8.807 ppm2 3.554
ASSI { 628}
(( segid " 1SG" and resid 31 and name HB1 ))
(( segid " 1SG" and resid 31 and name HA ))
1.600 1.600 2.900 peak 628 weight 0.10000E+01 volume 0.79000E+06 ppm1 2.564 ppm2 3.498
ASSI { 634}
(( segid " 1SG" and resid 34 and name HB ))
(( segid " 1SG" and resid 31 and name HA ))
2.600 0.800 0.800 peak 634 weight 0.10000E+01 volume 0.44500E+05 ppm1 0.694 ppm2 3.483
ASSI { 648}
(( segid " 1SG" and resid 16 and name HB1 ))
(( segid " 1SG" and resid 2 and name HB1 ))
2.200 0.600 0.600 peak 648 weight 0.10000E+01 volume 0.15300E+06 ppm1 2.592 ppm2 3.313
ASSI { 652}
( segid " 1SG" and resid 2 and name HE% )
(( segid " 1SG" and resid 28 and name HA2 ))
2.400 2.400 2.100 peak 652 weight 0.10000E+01 volume 0.78800E+05 ppm1 6.920 ppm2 3.254
ASSI { 653}
(( segid " 1SG" and resid 45 and name HN ))
(( segid " 1SG" and resid 40 and name HB1 ))
2.200 0.600 0.600 peak 653 weight 0.10000E+01 volume 0.14000E+06 ppm1 9.274 ppm2 3.228
ASSI { 659}
(( segid " 1SG" and resid 38 and name HN ))
(( segid " 1SG" and resid 38 and name HB1 ))
2.200 0.600 0.600 peak 659 weight 0.10000E+01 volume 0.12800E+06 ppm1 7.801 ppm2 3.208
ASSI { 677}
(( segid " 1SG" and resid 12 and name HN ))
(( segid " 1SG" and resid 7 and name HB1 ))
2.300 0.700 0.700 peak 677 weight 0.10000E+01 volume 0.10800E+06 ppm1 9.165 ppm2 3.064
ASSI { 680}
(( segid " 1SG" and resid 7 and name HB2 ))
(( segid " 1SG" and resid 7 and name HB1 ))
1.800 0.400 0.400 peak 680 weight 0.10000E+01 volume 0.39300E+06 ppm1 2.467 ppm2 3.069
ASSI { 681}
(( segid " 1SG" and resid 6 and name HN ))
(( segid " 1SG" and resid 5 and name HB1 ))
5.000 3.100 0.500 peak 681 weight 0.10000E+01 volume 0.92600E+03 ppm1 10.207 ppm2 3.052
ASSI { 682}
(( segid " 1SG" and resid 5 and name HB2 ))
(( segid " 1SG" and resid 5 and name HB1 ))
1.700 0.400 0.500 peak 682 weight 0.10000E+01 volume 0.53300E+06 ppm1 2.908 ppm2 3.059
ASSI { 697}
(( segid " 1SG" and resid 15 and name HN ))
(( segid " 1SG" and resid 15 and name HB1 ))
2.200 0.600 0.600 peak 697 weight 0.10000E+01 volume 0.13600E+06 ppm1 8.750 ppm2 2.985
ASSI { 698}
(( segid " 1SG" and resid 2 and name HN ))
(( segid " 1SG" and resid 2 and name HB2 ))
2.200 0.600 0.600 peak 698 weight 0.10000E+01 volume 0.14600E+06 ppm1 8.368 ppm2 2.980
ASSI { 701}
(( segid " 1SG" and resid 14 and name HB1 ))
(( segid " 1SG" and resid 14 and name HB2 ))
1.800 0.400 0.400 peak 701 weight 0.10000E+01 volume 0.43100E+06 ppm1 3.129 ppm2 2.981
ASSI { 702}
(( segid " 1SG" and resid 15 and name HB2 ))
(( segid " 1SG" and resid 15 and name HB1 ))
1.700 0.400 0.500 peak 702 weight 0.10000E+01 volume 0.67100E+06 ppm1 2.267 ppm2 2.985
ASSI { 723}
(( segid " 1SG" and resid 53 and name HN ))
(( segid " 1SG" and resid 53 and name HB1 ))
2.200 0.600 0.600 peak 723 weight 0.10000E+01 volume 0.12800E+06 ppm1 8.807 ppm2 2.722
ASSI { 725}
( segid " 1SG" and resid 53 and name HD% )
(( segid " 1SG" and resid 53 and name HB1 ))
2.300 0.700 0.700 peak 725 weight 0.10000E+01 volume 0.10400E+06 ppm1 6.986 ppm2 2.721
ASSI { 738}
( segid " 1SG" and resid 50 and name HD% )
(( segid " 1SG" and resid 50 and name HB2 ))
2.000 0.500 0.500 peak 738 weight 0.10000E+01 volume 0.23200E+06 ppm1 7.244 ppm2 2.616
ASSI { 757}
(( segid " 1SG" and resid 4 and name HB1 ))
(( segid " 1SG" and resid 53 and name HB2 ))
5.500 3.800 0.000 peak 757 weight 0.10000E+01 volume 0.25000E+03 ppm1 1.966 ppm2 2.582
ASSI { 763}
( segid " 1SG" and resid 14 and name HE% )
(( segid " 1SG" and resid 31 and name HB1 ))
4.900 3.000 0.600 peak 763 weight 0.10000E+01 volume 0.11000E+04 ppm1 6.638 ppm2 2.574
ASSI { 779}
( segid " 1SG" and resid 51 and name HG1%)
(( segid " 1SG" and resid 51 and name HB ))
2.000 0.500 0.500 peak 779 weight 0.10000E+01 volume 0.26400E+06 ppm1 1.121 ppm2 2.437
ASSI { 823}
(( segid " 1SG" and resid 47 and name HN ))
(( segid " 1SG" and resid 47 and name HB1 ))
2.400 0.700 0.700 peak 823 weight 0.10000E+01 volume 0.83000E+05 ppm1 8.692 ppm2 2.066
ASSI { 825}
(( segid " 1SG" and resid 23 and name HB2 ))
(( segid " 1SG" and resid 23 and name HB1 ))
1.600 0.300 0.600 peak 825 weight 0.10000E+01 volume 0.87000E+06 ppm1 1.591 ppm2 2.064
ASSI { 837}
(( segid " 1SG" and resid 4 and name HN ))
(( segid " 1SG" and resid 4 and name HB1 ))
2.400 0.700 0.700 peak 837 weight 0.10000E+01 volume 0.80200E+05 ppm1 8.033 ppm2 1.954
ASSI { 838}
( segid " 1SG" and resid 53 and name HD% )
(( segid " 1SG" and resid 4 and name HB1 ))
4.200 2.200 1.300 peak 838 weight 0.10000E+01 volume 0.26300E+04 ppm1 6.985 ppm2 1.958
ASSI { 848}
(( segid " 1SG" and resid 3 and name HB2 ))
(( segid " 1SG" and resid 3 and name HB1 ))
1.700 0.400 0.500 peak 848 weight 0.10000E+01 volume 0.69700E+06 ppm1 1.307 ppm2 1.878
ASSI { 854}
(( segid " 1SG" and resid 30 and name HN ))
(( segid " 1SG" and resid 30 and name HB2 ))
2.400 0.700 0.700 peak 854 weight 0.10000E+01 volume 0.73800E+05 ppm1 9.362 ppm2 1.840
ASSI { 861}
(( segid " 1SG" and resid 17 and name HA ))
(( segid " 1SG" and resid 18 and name HB1 ))
2.400 2.400 2.100 peak 861 weight 0.10000E+01 volume 0.81400E+05 ppm1 3.082 ppm2 1.794
ASSI { 864}
( segid " 1SG" and resid 8 and name HD1%)
(( segid " 1SG" and resid 8 and name HG11))
4.200 2.200 1.300 peak 864 weight 0.10000E+01 volume 0.26700E+04 ppm1 0.981 ppm2 1.723
ASSI { 872}
(( segid " 1SG" and resid 20 and name HB1 ))
( segid " 1SG" and resid 22 and name HB% )
5.500 3.800 0.000 peak 872 weight 0.10000E+01 volume 0.50200E+03 ppm1 3.147 ppm2 1.701
ASSI { 875}
( segid " 1SG" and resid 13 and name HG2%)
(( segid " 1SG" and resid 4 and name HB2 ))
2.200 0.600 0.600 peak 875 weight 0.10000E+01 volume 0.15100E+06 ppm1 0.764 ppm2 1.714
ASSI { 906}
(( segid " 1SG" and resid 52 and name HB2 ))
(( segid " 1SG" and resid 52 and name HB1 ))
1.600 0.300 0.600 peak 906 weight 0.10000E+01 volume 0.99000E+06 ppm1 1.202 ppm2 1.342
ASSI { 948}
(( segid " 1SG" and resid 51 and name HN ))
( segid " 1SG" and resid 51 and name HG1%)
2.700 0.900 0.900 peak 948 weight 0.10000E+01 volume 0.36200E+05 ppm1 9.286 ppm2 1.123
ASSI { 971}
(( segid " 1SG" and resid 4 and name HB1 ))
( segid " 1SG" and resid 13 and name HG2%)
4.500 2.500 1.000 peak 971 weight 0.10000E+01 volume 0.17800E+04 ppm1 1.947 ppm2 0.772
ASSI { 992}
(( segid " 1SG" and resid 13 and name HG11))
(( segid " 1SG" and resid 13 and name HG12))
1.800 0.400 0.400 peak 992 weight 0.10000E+01 volume 0.52000E+06 ppm1 1.735 ppm2 0.646
ASSI { 993}
( segid " 1SG" and resid 53 and name HD% )
( segid " 1SG" and resid 6 and name HD1%)
4.900 3.000 0.600 peak 993 weight 0.10000E+01 volume 0.11300E+04 ppm1 6.989 ppm2 0.559
ASSI { 997}
(( segid " 1SG" and resid 6 and name HB ))
( segid " 1SG" and resid 6 and name HD1%)
2.700 0.900 0.900 peak 997 weight 0.10000E+01 volume 0.35600E+05 ppm1 1.331 ppm2 0.548
ASSI { 1003}
(( segid " 1SG" and resid 34 and name HN ))
(( segid " 1SG" and resid 34 and name HG11))
2.400 0.700 0.700 peak 1003 weight 0.10000E+01 volume 0.82800E+05 ppm1 6.803 ppm2 0.496
ASSI { 1009}
(( segid " 1SG" and resid 5 and name HZ2 ))
( segid " 1SG" and resid 52 and name HD2%)
3.800 1.800 1.700 peak 1009 weight 0.10000E+01 volume 0.51300E+04 ppm1 7.641 ppm2 0.397
ASSI { 1022}
(( segid " 1SG" and resid 38 and name HB2 ))
( segid " 1SG" and resid 34 and name HG2%)
2.400 0.700 0.700 peak 1022 weight 0.10000E+01 volume 0.79600E+05 ppm1 3.017 ppm2 -0.080
ASSI { 1029}
( segid " 1SG" and resid 25 and name HE% )
(( segid " 1SG" and resid 34 and name HG12))
2.500 0.800 0.800 peak 1029 weight 0.10000E+01 volume 0.58300E+05 ppm1 6.806 ppm2 -0.820
ASSI { 1047}
(( segid " 1SG" and resid 38 and name HE1 ))
(( segid " 1SG" and resid 40 and name HA ))
5.500 3.800 0.000 peak 1047 weight 0.10000E+01 volume 0.94300E+02 ppm1 10.697 ppm2 3.622
ASSI { 1049}
(( segid " 1SG" and resid 6 and name HN ))
(( segid " 1SG" and resid 53 and name HA ))
3.500 1.500 1.500 peak 1049 weight 0.10000E+01 volume 0.79900E+04 ppm1 10.207 ppm2 4.593
ASSI { 1050}
(( segid " 1SG" and resid 14 and name HN ))
(( segid " 1SG" and resid 14 and name HA ))
2.600 0.800 0.800 peak 1050 weight 0.10000E+01 volume 0.47700E+05 ppm1 9.824 ppm2 5.007
ASSI { 1054}
(( segid " 1SG" and resid 8 and name HN ))
(( segid " 1SG" and resid 50 and name HA ))
2.700 0.900 0.900 peak 1054 weight 0.10000E+01 volume 0.43100E+05 ppm1 9.238 ppm2 5.551
ASSI { 1056}
(( segid " 1SG" and resid 5 and name HN ))
(( segid " 1SG" and resid 15 and name HA ))
2.800 2.800 1.700 peak 1056 weight 0.10000E+01 volume 0.33700E+05 ppm1 9.389 ppm2 4.930
ASSI { 1066}
(( segid " 1SG" and resid 32 and name HN ))
(( segid " 1SG" and resid 33 and name HA ))
5.500 3.800 0.000 peak 1066 weight 0.10000E+01 volume 0.47500E+03 ppm1 9.188 ppm2 4.545
ASSI { 1070}
(( segid " 1SG" and resid 45 and name HN ))
(( segid " 1SG" and resid 40 and name HB2 ))
2.900 1.100 1.100 peak 1070 weight 0.10000E+01 volume 0.27800E+05 ppm1 9.274 ppm2 3.029
ASSI { 1074}
(( segid " 1SG" and resid 20 and name HN ))
(( segid " 1SG" and resid 20 and name HB1 ))
2.400 0.700 0.700 peak 1074 weight 0.10000E+01 volume 0.78900E+05 ppm1 9.189 ppm2 3.165
ASSI { 1079}
(( segid " 1SG" and resid 3 and name HN ))
(( segid " 1SG" and resid 3 and name HA ))
2.500 0.800 0.800 peak 1079 weight 0.10000E+01 volume 0.65500E+05 ppm1 9.062 ppm2 4.699
ASSI { 1081}
(( segid " 1SG" and resid 10 and name HN ))
(( segid " 1SG" and resid 9 and name HB ))
2.200 0.600 0.600 peak 1081 weight 0.10000E+01 volume 0.11900E+06 ppm1 8.758 ppm2 4.495
ASSI { 1082}
(( segid " 1SG" and resid 16 and name HN ))
(( segid " 1SG" and resid 15 and name HA ))
1.900 0.500 0.500 peak 1082 weight 0.10000E+01 volume 0.30300E+06 ppm1 8.591 ppm2 4.931
ASSI { 1088}
(( segid " 1SG" and resid 53 and name HN ))
(( segid " 1SG" and resid 52 and name HB2 ))
4.100 2.100 1.400 peak 1088 weight 0.10000E+01 volume 0.30000E+04 ppm1 8.809 ppm2 1.222
ASSI { 1093}
(( segid " 1SG" and resid 7 and name HN ))
(( segid " 1SG" and resid 6 and name HB ))
2.300 2.300 2.200 peak 1093 weight 0.10000E+01 volume 0.90500E+05 ppm1 8.389 ppm2 1.325
ASSI { 1097}
(( segid " 1SG" and resid 4 and name HN ))
(( segid " 1SG" and resid 4 and name HA ))
2.800 1.000 1.000 peak 1097 weight 0.10000E+01 volume 0.29800E+05 ppm1 8.046 ppm2 5.461
ASSI { 1099}
(( segid " 1SG" and resid 13 and name HN ))
(( segid " 1SG" and resid 13 and name HA ))
2.500 0.800 0.800 peak 1099 weight 0.10000E+01 volume 0.55900E+05 ppm1 7.782 ppm2 5.288
ASSI { 1100}
(( segid " 1SG" and resid 13 and name HN ))
(( segid " 1SG" and resid 14 and name HA ))
5.000 3.100 0.500 peak 1100 weight 0.10000E+01 volume 0.99500E+03 ppm1 7.750 ppm2 5.008
ASSI { 1103}
(( segid " 1SG" and resid 48 and name HN ))
(( segid " 1SG" and resid 46 and name HB ))
2.600 0.800 0.800 peak 1103 weight 0.10000E+01 volume 0.52700E+05 ppm1 8.132 ppm2 4.959
ASSI { 1104}
(( segid " 1SG" and resid 49 and name HN ))
(( segid " 1SG" and resid 49 and name HA ))
2.400 0.700 0.700 peak 1104 weight 0.10000E+01 volume 0.86100E+05 ppm1 8.176 ppm2 4.915
ASSI { 1109}
(( segid " 1SG" and resid 17 and name HN ))
(( segid " 1SG" and resid 16 and name HA ))
5.400 3.600 0.100 peak 1109 weight 0.10000E+01 volume 0.61200E+03 ppm1 8.335 ppm2 3.925
ASSI { 1113}
(( segid " 1SG" and resid 52 and name HN ))
(( segid " 1SG" and resid 52 and name HG ))
2.800 2.800 1.700 peak 1113 weight 0.10000E+01 volume 0.32500E+05 ppm1 8.319 ppm2 1.097
ASSI { 1116}
(( segid " 1SG" and resid 37 and name HN ))
(( segid " 1SG" and resid 37 and name HB1 ))
3.300 1.400 1.400 peak 1116 weight 0.10000E+01 volume 0.12100E+05 ppm1 8.265 ppm2 2.990
ASSI { 1121}
(( segid " 1SG" and resid 28 and name HN ))
(( segid " 1SG" and resid 28 and name HA1 ))
2.300 0.700 0.700 peak 1121 weight 0.10000E+01 volume 0.11100E+06 ppm1 8.084 ppm2 4.273
ASSI { 1122}
(( segid " 1SG" and resid 50 and name HN ))
(( segid " 1SG" and resid 48 and name HA ))
3.700 1.700 1.700 peak 1122 weight 0.10000E+01 volume 0.59700E+04 ppm1 8.007 ppm2 4.410
ASSI { 1125}
(( segid " 1SG" and resid 38 and name HN ))
(( segid " 1SG" and resid 37 and name HA ))
2.700 0.900 0.900 peak 1125 weight 0.10000E+01 volume 0.35400E+05 ppm1 7.801 ppm2 4.691
ASSI { 1128}
( segid " 1SG" and resid 25 and name HD% )
(( segid " 1SG" and resid 34 and name HG12))
4.500 2.500 1.000 peak 1128 weight 0.10000E+01 volume 0.18200E+04 ppm1 7.017 ppm2 -0.817
ASSI { 1130}
( segid " 1SG" and resid 53 and name HD% )
( segid " 1SG" and resid 6 and name HG2%)
3.000 1.100 1.100 peak 1130 weight 0.10000E+01 volume 0.21700E+05 ppm1 6.987 ppm2 0.960
ASSI { 1133}
(( segid " 1SG" and resid 25 and name HN ))
(( segid " 1SG" and resid 25 and name HB2 ))
2.400 0.700 0.700 peak 1133 weight 0.10000E+01 volume 0.81100E+05 ppm1 7.736 ppm2 3.014
ASSI { 1139}
( segid " 1SG" and resid 2 and name HD% )
(( segid " 1SG" and resid 2 and name HA ))
2.000 0.500 0.500 peak 1139 weight 0.10000E+01 volume 0.24100E+06 ppm1 7.309 ppm2 4.915
ASSI { 1140}
( segid " 1SG" and resid 14 and name HD% )
(( segid " 1SG" and resid 14 and name HA ))
2.200 0.600 0.600 peak 1140 weight 0.10000E+01 volume 0.12100E+06 ppm1 7.279 ppm2 5.007
ASSI { 1141}
(( segid " 1SG" and resid 5 and name HD1 ))
(( segid " 1SG" and resid 15 and name HA ))
4.000 2.000 1.500 peak 1141 weight 0.10000E+01 volume 0.36500E+04 ppm1 7.077 ppm2 4.932
ASSI { 1143}
( segid " 1SG" and resid 53 and name HE% )
(( segid " 1SG" and resid 53 and name HA ))
5.000 3.100 0.500 peak 1143 weight 0.10000E+01 volume 0.10000E+04 ppm1 6.848 ppm2 4.593
ASSI { 1144}
(( segid " 1SG" and resid 34 and name HN ))
(( segid " 1SG" and resid 33 and name HA ))
3.900 1.900 1.600 peak 1144 weight 0.10000E+01 volume 0.46600E+04 ppm1 6.801 ppm2 4.565
ASSI { 1151}
(( segid " 1SG" and resid 34 and name HN ))
(( segid " 1SG" and resid 34 and name HA ))
2.300 0.700 0.700 peak 1151 weight 0.10000E+01 volume 0.11500E+06 ppm1 6.808 ppm2 3.439
ASSI { 1155}
(( segid " 1SG" and resid 29 and name HG1 ))
(( segid " 1SG" and resid 25 and name HB1 ))
5.400 3.600 0.100 peak 1155 weight 0.10000E+01 volume 0.64300E+03 ppm1 6.502 ppm2 3.233
ASSI { 1156}
( segid " 1SG" and resid 31 and name HE% )
(( segid " 1SG" and resid 47 and name HB1 ))
3.700 1.700 1.700 peak 1156 weight 0.10000E+01 volume 0.56100E+04 ppm1 6.498 ppm2 2.051
ASSI { 1157}
( segid " 1SG" and resid 31 and name HE% )
(( segid " 1SG" and resid 47 and name HB2 ))
4.600 2.600 0.900 peak 1157 weight 0.10000E+01 volume 0.17100E+04 ppm1 6.499 ppm2 1.968
ASSI { 1158}
(( segid " 1SG" and resid 34 and name HN ))
(( segid " 1SG" and resid 33 and name HB2 ))
5.400 3.600 0.100 peak 1158 weight 0.10000E+01 volume 0.64300E+03 ppm1 6.802 ppm2 2.643
ASSI { 1162}
( segid " 1SG" and resid 2 and name HD% )
(( segid " 1SG" and resid 16 and name HB1 ))
2.400 0.700 0.700 peak 1162 weight 0.10000E+01 volume 0.87200E+05 ppm1 7.307 ppm2 2.596
ASSI { 1166}
(( segid " 1SG" and resid 33 and name HN ))
(( segid " 1SG" and resid 32 and name HA ))
5.000 3.100 0.500 peak 1166 weight 0.10000E+01 volume 0.10200E+04 ppm1 7.476 ppm2 3.894
ASSI { 1169}
(( segid " 1SG" and resid 23 and name HN ))
(( segid " 1SG" and resid 20 and name HB1 ))
2.300 2.300 2.200 peak 1169 weight 0.10000E+01 volume 0.11700E+06 ppm1 7.474 ppm2 3.174
ASSI { 1181}
(( segid " 1SG" and resid 5 and name HD1 ))
(( segid " 1SG" and resid 4 and name HA ))
2.600 0.800 0.800 peak 1181 weight 0.10000E+01 volume 0.47300E+05 ppm1 7.076 ppm2 5.457
ASSI { 1183}
(( segid " 1SG" and resid 5 and name HE3 ))
(( segid " 1SG" and resid 51 and name HA ))
2.600 0.800 0.800 peak 1183 weight 0.10000E+01 volume 0.48000E+05 ppm1 6.860 ppm2 5.096
ASSI { 1184}
(( segid " 1SG" and resid 5 and name HE3 ))
(( segid " 1SG" and resid 5 and name HA ))
3.200 1.300 1.300 peak 1184 weight 0.10000E+01 volume 0.13100E+05 ppm1 6.865 ppm2 5.176
ASSI { 1185}
( segid " 1SG" and resid 50 and name HE% )
(( segid " 1SG" and resid 13 and name HA ))
4.700 2.800 0.800 peak 1185 weight 0.10000E+01 volume 0.14900E+04 ppm1 6.882 ppm2 5.287
ASSI { 1186}
( segid " 1SG" and resid 50 and name HE% )
(( segid " 1SG" and resid 6 and name HA ))
3.600 1.600 1.600 peak 1186 weight 0.10000E+01 volume 0.69000E+04 ppm1 6.877 ppm2 5.503
ASSI { 1188}
(( segid " 1SG" and resid 4 and name HA ))
(( segid " 1SG" and resid 15 and name HA ))
2.700 0.900 0.900 peak 1188 weight 0.10000E+01 volume 0.42100E+05 ppm1 5.454 ppm2 4.930
ASSI { 1190}
(( segid " 1SG" and resid 31 and name HZ ))
(( segid " 1SG" and resid 38 and name HZ3 ))
3.100 1.200 1.200 peak 1190 weight 0.10000E+01 volume 0.15700E+05 ppm1 6.741 ppm2 6.217
ASSI { 1197}
( segid " 1SG" and resid 34 and name HD1%)
(( segid " 1SG" and resid 38 and name HE1 ))
5.500 3.800 0.000 peak 1197 weight 0.10000E+01 volume 0.36000E+03 ppm1 -1.088 ppm2 10.690
ASSI { 1206}
(( segid " 1SG" and resid 34 and name HA ))
( segid " 1SG" and resid 34 and name HG2%)
2.400 0.700 0.700 peak 1206 weight 0.10000E+01 volume 0.73200E+05 ppm1 3.423 ppm2 -0.079
ASSI { 1207}
(( segid " 1SG" and resid 31 and name HA ))
(( segid " 1SG" and resid 34 and name HG11))
2.800 1.000 1.000 peak 1207 weight 0.10000E+01 volume 0.28700E+05 ppm1 3.493 ppm2 0.487
ASSI { 1208}
(( segid " 1SG" and resid 34 and name HA ))
(( segid " 1SG" and resid 34 and name HG11))
2.900 1.100 1.100 peak 1208 weight 0.10000E+01 volume 0.25700E+05 ppm1 3.422 ppm2 0.486
ASSI { 1209}
(( segid " 1SG" and resid 34 and name HA ))
(( segid " 1SG" and resid 34 and name HB ))
3.100 1.200 1.200 peak 1209 weight 0.10000E+01 volume 0.18100E+05 ppm1 3.408 ppm2 0.699
ASSI { 1212}
(( segid " 1SG" and resid 9 and name HB ))
(( segid " 1SG" and resid 9 and name HA ))
5.500 3.800 0.000 peak 1212 weight 0.10000E+01 volume 0.40500E+03 ppm1 4.514 ppm2 4.275
ASSI { 1217}
(( segid " 1SG" and resid 47 and name HA ))
(( segid " 1SG" and resid 47 and name HB1 ))
3.200 1.300 1.300 peak 1217 weight 0.10000E+01 volume 0.13000E+05 ppm1 4.148 ppm2 2.067
ASSI { 1219}
(( segid " 1SG" and resid 7 and name HA ))
(( segid " 1SG" and resid 7 and name HB2 ))
4.500 2.500 1.000 peak 1219 weight 0.10000E+01 volume 0.17500E+04 ppm1 3.620 ppm2 2.462
ASSI { 1223}
(( segid " 1SG" and resid 31 and name HA ))
(( segid " 1SG" and resid 31 and name HB2 ))
2.700 0.900 0.900 peak 1223 weight 0.10000E+01 volume 0.38300E+05 ppm1 3.483 ppm2 2.075
ASSI { 1226}
(( segid " 1SG" and resid 2 and name HB1 ))
(( segid " 1SG" and resid 2 and name HB2 ))
2.000 0.500 0.500 peak 1226 weight 0.10000E+01 volume 0.23800E+06 ppm1 3.335 ppm2 2.979
ASSI { 1228}
(( segid " 1SG" and resid 40 and name HA ))
(( segid " 1SG" and resid 40 and name HB1 ))
4.900 3.000 0.600 peak 1228 weight 0.10000E+01 volume 0.11000E+04 ppm1 3.643 ppm2 3.219
ASSI { 1229}
(( segid " 1SG" and resid 37 and name HB1 ))
(( segid " 1SG" and resid 37 and name HB2 ))
1.800 0.400 0.400 peak 1229 weight 0.10000E+01 volume 0.44300E+06 ppm1 3.008 ppm2 2.673
ASSI { 1234}
(( segid " 1SG" and resid 2 and name HB1 ))
(( segid " 1SG" and resid 2 and name HA ))
2.300 0.700 0.700 peak 1234 weight 0.10000E+01 volume 0.11700E+06 ppm1 3.325 ppm2 4.919
ASSI { 1236}
(( segid " 1SG" and resid 14 and name HB1 ))
(( segid " 1SG" and resid 14 and name HA ))
2.400 0.700 0.700 peak 1236 weight 0.10000E+01 volume 0.73200E+05 ppm1 3.126 ppm2 5.006
ASSI { 1237}
(( segid " 1SG" and resid 5 and name HB1 ))
(( segid " 1SG" and resid 5 and name HA ))
3.100 1.200 1.200 peak 1237 weight 0.10000E+01 volume 0.16100E+05 ppm1 3.067 ppm2 5.178
ASSI { 1242}
( segid " 1SG" and resid 6 and name HD1%)
(( segid " 1SG" and resid 6 and name HA ))
5.100 3.300 0.400 peak 1242 weight 0.10000E+01 volume 0.83600E+03 ppm1 0.550 ppm2 5.498
ASSI { 1243}
(( segid " 1SG" and resid 6 and name HG12))
(( segid " 1SG" and resid 6 and name HA ))
2.900 1.100 1.100 peak 1243 weight 0.10000E+01 volume 0.24300E+05 ppm1 0.718 ppm2 5.499
ASSI { 1247}
(( segid " 1SG" and resid 11 and name HA2 ))
(( segid " 1SG" and resid 11 and name HA1 ))
1.900 0.500 0.500 peak 1247 weight 0.10000E+01 volume 0.28200E+06 ppm1 3.797 ppm2 4.327
ASSI { 1249}
(( segid " 1SG" and resid 19 and name HA2 ))
(( segid " 1SG" and resid 19 and name HA1 ))
2.400 0.700 0.700 peak 1249 weight 0.10000E+01 volume 0.77800E+05 ppm1 3.802 ppm2 4.017
ASSI { 1256}
(( segid " 1SG" and resid 20 and name HB2 ))
(( segid " 1SG" and resid 20 and name HA ))
2.300 0.700 0.700 peak 1256 weight 0.10000E+01 volume 0.96400E+05 ppm1 2.990 ppm2 4.896
ASSI { 1260}
(( segid " 1SG" and resid 16 and name HB1 ))
(( segid " 1SG" and resid 2 and name HA ))
5.000 3.100 0.500 peak 1260 weight 0.10000E+01 volume 0.92100E+03 ppm1 2.590 ppm2 4.918
ASSI { 1261}
(( segid " 1SG" and resid 15 and name HB2 ))
(( segid " 1SG" and resid 15 and name HA ))
2.500 0.800 0.800 peak 1261 weight 0.10000E+01 volume 0.59000E+05 ppm1 2.268 ppm2 4.931
ASSI { 1280}
(( segid " 1SG" and resid 4 and name HB2 ))
(( segid " 1SG" and resid 15 and name HA ))
4.700 2.800 0.800 peak 1280 weight 0.10000E+01 volume 0.14400E+04 ppm1 1.692 ppm2 4.939
ASSI { 1293}
(( segid " 1SG" and resid 30 and name HB2 ))
(( segid " 1SG" and resid 29 and name HA ))
2.500 2.500 2.000 peak 1293 weight 0.10000E+01 volume 0.59500E+05 ppm1 1.871 ppm2 4.221
ASSI { 1295}
( segid " 1SG" and resid 45 and name HB% )
(( segid " 1SG" and resid 45 and name HA ))
1.900 0.500 0.500 peak 1295 weight 0.10000E+01 volume 0.28300E+06 ppm1 1.707 ppm2 4.357
ASSI { 1296}
(( segid " 1SG" and resid 18 and name HB2 ))
(( segid " 1SG" and resid 18 and name HA ))
2.800 1.000 1.000 peak 1296 weight 0.10000E+01 volume 0.34700E+05 ppm1 1.595 ppm2 4.368
ASSI { 1300}
(( segid " 1SG" and resid 16 and name HB2 ))
(( segid " 1SG" and resid 16 and name HA ))
2.300 0.700 0.700 peak 1300 weight 0.10000E+01 volume 0.96600E+05 ppm1 2.084 ppm2 3.922
ASSI { 1304}
(( segid " 1SG" and resid 53 and name HB2 ))
(( segid " 1SG" and resid 53 and name HA ))
2.200 0.600 0.600 peak 1304 weight 0.10000E+01 volume 0.13500E+06 ppm1 2.605 ppm2 4.585
ASSI { 1306}
(( segid " 1SG" and resid 53 and name HB1 ))
(( segid " 1SG" and resid 53 and name HA ))
2.700 0.900 0.900 peak 1306 weight 0.10000E+01 volume 0.38400E+05 ppm1 2.719 ppm2 4.594
ASSI { 1307}
(( segid " 1SG" and resid 33 and name HB1 ))
(( segid " 1SG" and resid 33 and name HA ))
2.300 0.700 0.700 peak 1307 weight 0.10000E+01 volume 0.96600E+05 ppm1 2.761 ppm2 4.571
ASSI { 1308}
(( segid " 1SG" and resid 38 and name HB1 ))
(( segid " 1SG" and resid 38 and name HA ))
2.300 0.700 0.700 peak 1308 weight 0.10000E+01 volume 0.11100E+06 ppm1 3.209 ppm2 4.340
ASSI { 1310}
(( segid " 1SG" and resid 28 and name HA2 ))
(( segid " 1SG" and resid 28 and name HA1 ))
2.000 0.500 0.500 peak 1310 weight 0.10000E+01 volume 0.25800E+06 ppm1 3.272 ppm2 4.273
ASSI { 1314}
( segid " 1SG" and resid 22 and name HB% )
(( segid " 1SG" and resid 22 and name HA ))
2.100 0.600 0.600 peak 1314 weight 0.10000E+01 volume 0.18200E+06 ppm1 1.702 ppm2 4.276
ASSI { 1315}
(( segid " 1SG" and resid 8 and name HG12))
(( segid " 1SG" and resid 8 and name HA ))
3.200 1.300 1.300 peak 1315 weight 0.10000E+01 volume 0.14300E+05 ppm1 1.594 ppm2 4.168
ASSI { 1316}
(( segid " 1SG" and resid 8 and name HG12))
(( segid " 1SG" and resid 9 and name HA ))
3.100 1.200 1.200 peak 1316 weight 0.10000E+01 volume 0.16900E+05 ppm1 1.577 ppm2 4.258
ASSI { 1318}
( segid " 1SG" and resid 26 and name HG2%)
(( segid " 1SG" and resid 26 and name HA ))
2.400 0.700 0.700 peak 1318 weight 0.10000E+01 volume 0.74200E+05 ppm1 1.410 ppm2 4.226
ASSI { 1322}
(( segid " 1SG" and resid 17 and name HA ))
(( segid " 1SG" and resid 2 and name HB1 ))
2.500 2.500 2.000 peak 1322 weight 0.10000E+01 volume 0.62500E+05 ppm1 3.127 ppm2 3.305
ASSI { 1325}
(( segid " 1SG" and resid 30 and name HB1 ))
(( segid " 1SG" and resid 30 and name HB2 ))
1.800 0.400 0.400 peak 1325 weight 0.10000E+01 volume 0.48700E+06 ppm1 2.241 ppm2 1.841
ASSI { 1329}
(( segid " 1SG" and resid 13 and name HB ))
(( segid " 1SG" and resid 13 and name HG12))
2.700 0.900 0.900 peak 1329 weight 0.10000E+01 volume 0.38100E+05 ppm1 1.588 ppm2 0.646
ASSI { 1333}
(( segid " 1SG" and resid 44 and name HN ))
(( segid " 1SG" and resid 40 and name HB1 ))
2.400 0.700 0.700 peak 1333 weight 0.10000E+01 volume 0.75800E+05 ppm1 8.035 ppm2 3.229
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