NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
12753 |
1tk7   |
6262 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | simple |
ASSI { 38}
(( segid " " and resid 17 and name HE1 ))
(( segid " " and resid 17 and name HN ))
6.000 6.000 0.000 peak 38 weight 0.10000E+01 volume 0.11272E-04 ppm1 10.409 ppm2 7.852 CV 1
ASSI { 47}
(( segid " " and resid 61 and name HE1 ))
(( segid " " and resid 61 and name HN ))
6.000 5.900 0.000 peak 47 weight 0.10000E+01 volume 0.75944E-04 ppm1 10.478 ppm2 7.658 CV 1
ASSI { 50}
(( segid " " and resid 61 and name HE1 ))
(( segid " " and resid 61 and name HZ2 ))
3.200 1.300 1.300 peak 50 weight 0.10000E+01 volume 0.13082E-02 ppm1 10.476 ppm2 7.308 CV 1
ASSI { 51}
(( segid " " and resid 61 and name HE1 ))
(( segid " " and resid 61 and name HD1 ))
2.800 1.000 1.000 peak 51 weight 0.10000E+01 volume 0.29011E-02 ppm1 10.476 ppm2 7.066 CV 1
ASSI { 57}
(( segid " " and resid 17 and name HE1 ))
(( segid " " and resid 17 and name HZ2 ))
2.900 1.100 1.100 peak 57 weight 0.10000E+01 volume 0.22469E-02 ppm1 10.408 ppm2 7.432 CV 1
ASSI { 58}
(( segid " " and resid 17 and name HE1 ))
(( segid " " and resid 17 and name HD1 ))
2.600 0.900 0.900 peak 58 weight 0.10000E+01 volume 0.43996E-02 ppm1 10.408 ppm2 7.070 CV 1
ASSI { 59}
(( segid " " and resid 17 and name HE1 ))
( segid " " and resid 29 and name HD% )
6.000 5.000 0.000 peak 59 weight 0.10000E+01 volume 0.46467E-04 ppm1 10.405 ppm2 6.709 CV 1
ASSI { 61}
(( segid " " and resid 17 and name HE1 ))
(( segid " " and resid 42 and name HB2 ))
6.000 6.000 0.000 peak 61 weight 0.10000E+01 volume 0.11426E-04 ppm1 10.410 ppm2 2.416 CV 1
ASSI { 62}
(( segid " " and resid 17 and name HE1 ))
(( segid " " and resid 42 and name HG2 ))
3.700 1.700 1.700 peak 62 weight 0.10000E+01 volume 0.50470E-03 ppm1 10.408 ppm2 1.989 CV 1
ASSI { 63}
(( segid " " and resid 17 and name HE1 ))
(( segid " " and resid 42 and name HD2 ))
5.400 3.700 0.600 peak 63 weight 0.10000E+01 volume 0.16248E-03 ppm1 10.408 ppm2 1.418 CV 1
ASSI { 145}
(( segid " " and resid 85 and name HN ))
(( segid " " and resid 84 and name HG2 ))
3.500 1.600 1.600 peak 145 weight 0.10000E+01 volume 0.21108E-02 ppm1 8.179 ppm2 1.913 CV 1
ASSI { 173}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 19 and name HA ))
2.800 1.000 1.000 peak 173 weight 0.10000E+01 volume 0.17192E-02 ppm1 8.955 ppm2 4.423 CV 1
ASSI { 175}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 19 and name HG2 ))
2.600 0.800 0.800 peak 175 weight 0.10000E+01 volume 0.15696E-02 ppm1 8.952 ppm2 0.836 CV 1
ASSI { 176}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 18 and name HN ))
6.000 4.800 0.000 peak 176 weight 0.10000E+01 volume 0.36975E-04 ppm1 8.948 ppm2 9.498 CV 1
ASSI { 177}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 20 and name HB2 ))
3.000 3.000 3.000 peak 177 weight 0.10000E+01 volume 0.28267E-02 ppm1 8.950 ppm2 1.534 CV 1
ASSI { 184}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 29 and name HA ))
6.000 6.000 0.000 peak 184 weight 0.10000E+01 volume 0.11120E-04 ppm1 8.542 ppm2 5.259 CV 1
ASSI { 185}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 19 and name HA ))
2.200 0.600 0.600 peak 185 weight 0.10000E+01 volume 0.61802E-02 ppm1 8.536 ppm2 4.417 CV 1
ASSI { 186}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 20 and name HB2 ))
4.300 2.300 1.700 peak 186 weight 0.10000E+01 volume 0.12162E-03 ppm1 8.537 ppm2 1.509 CV 1
ASSI { 196}
(( segid " " and resid 64 and name HN ))
(( segid " " and resid 63 and name HN ))
5.400 3.700 0.600 peak 196 weight 0.10000E+01 volume 0.15146E-03 ppm1 8.022 ppm2 8.651 CV 1
ASSI { 212}
(( segid " " and resid 64 and name HN ))
( segid " " and resid 73 and name HD% )
5.800 4.200 0.200 peak 212 weight 0.10000E+01 volume 0.12336E-03 ppm1 8.021 ppm2 7.020 CV 1
ASSI { 213}
(( segid " " and resid 64 and name HN ))
(( segid " " and resid 64 and name HA ))
2.200 2.200 3.800 peak 213 weight 0.10000E+01 volume 0.71225E-02 ppm1 8.019 ppm2 4.236 CV 1
ASSI { 222}
(( segid " " and resid 64 and name HN ))
(( segid " " and resid 63 and name HG12))
3.200 3.200 2.800 peak 222 weight 0.10000E+01 volume 0.37736E-02 ppm1 8.017 ppm2 0.446 CV 1
ASSI { 245}
(( segid " " and resid 71 and name HN ))
(( segid " " and resid 70 and name HA ))
2.100 0.600 0.600 peak 245 weight 0.10000E+01 volume 0.78377E-02 ppm1 8.888 ppm2 4.523 CV 1
ASSI { 246}
(( segid " " and resid 71 and name HN ))
(( segid " " and resid 71 and name HA ))
2.900 1.000 1.000 peak 246 weight 0.10000E+01 volume 0.15214E-02 ppm1 8.888 ppm2 4.104 CV 1
ASSI { 248}
(( segid " " and resid 71 and name HN ))
(( segid " " and resid 70 and name HB2 ))
3.300 1.300 1.300 peak 248 weight 0.10000E+01 volume 0.36263E-02 ppm1 8.888 ppm2 2.188 CV 1
ASSI { 252}
(( segid " " and resid 71 and name HN ))
(( segid " " and resid 71 and name HG2 ))
3.400 1.400 1.400 peak 252 weight 0.10000E+01 volume 0.57279E-03 ppm1 8.889 ppm2 0.836 CV 1
ASSI { 259}
(( segid " " and resid 71 and name HN ))
(( segid " " and resid 66 and name HN ))
6.000 6.000 0.000 peak 259 weight 0.10000E+01 volume 0.11006E-04 ppm1 8.883 ppm2 9.616 CV 1
ASSI { 307}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 21 and name HG12))
2.700 0.900 0.900 peak 307 weight 0.10000E+01 volume 0.39557E-02 ppm1 9.010 ppm2 0.907 CV 1
ASSI { 308}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 21 and name HA ))
2.000 0.500 0.500 peak 308 weight 0.10000E+01 volume 0.80050E-02 ppm1 9.008 ppm2 4.783 CV 1
ASSI { 309}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 22 and name HB2 ))
2.700 0.900 0.900 peak 309 weight 0.10000E+01 volume 0.16388E-02 ppm1 9.007 ppm2 2.720 CV 1
ASSI { 326}
(( segid " " and resid 83 and name HN ))
(( segid " " and resid 84 and name HN ))
2.500 0.800 0.800 peak 326 weight 0.10000E+01 volume 0.28776E-02 ppm1 9.334 ppm2 8.934 CV 1
ASSI { 327}
(( segid " " and resid 83 and name HN ))
( segid " " and resid 83 and name HD% )
3.600 1.600 1.600 peak 327 weight 0.10000E+01 volume 0.14809E-02 ppm1 9.329 ppm2 7.687 CV 1
ASSI { 328}
(( segid " " and resid 83 and name HN ))
(( segid " " and resid 83 and name HA ))
3.000 1.100 1.100 peak 328 weight 0.10000E+01 volume 0.13603E-02 ppm1 9.331 ppm2 5.093 CV 1
ASSI { 329}
(( segid " " and resid 83 and name HN ))
(( segid " " and resid 82 and name HA ))
2.400 0.700 0.700 peak 329 weight 0.10000E+01 volume 0.34858E-02 ppm1 9.329 ppm2 4.695 CV 1
ASSI { 330}
(( segid " " and resid 83 and name HN ))
(( segid " " and resid 82 and name HB ))
4.200 2.200 1.800 peak 330 weight 0.10000E+01 volume 0.56013E-03 ppm1 9.330 ppm2 4.438 CV 1
ASSI { 337}
(( segid " " and resid 83 and name HN ))
(( segid " " and resid 84 and name HG2 ))
4.000 2.000 2.000 peak 337 weight 0.10000E+01 volume 0.10761E-02 ppm1 9.326 ppm2 1.917 CV 1
ASSI { 342}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 10 and name HN ))
3.100 1.200 1.200 peak 342 weight 0.10000E+01 volume 0.11728E-02 ppm1 8.453 ppm2 8.222 CV 1
ASSI { 345}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 41 and name HB2 ))
3.100 3.100 2.900 peak 345 weight 0.10000E+01 volume 0.26014E-02 ppm1 8.452 ppm2 2.688 CV 1
ASSI { 356}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 28 and name HN ))
4.900 3.000 1.100 peak 356 weight 0.10000E+01 volume 0.11590E-03 ppm1 8.432 ppm2 8.714 CV 1
ASSI { 362}
(( segid " " and resid 51 and name HN ))
(( segid " " and resid 50 and name HB2 ))
3.100 1.200 1.200 peak 362 weight 0.10000E+01 volume 0.21439E-02 ppm1 8.372 ppm2 3.831 CV 1
OR { 362}
(( segid " " and resid 51 and name HN ))
(( segid " " and resid 50 and name HG ))
ASSI { 363}
(( segid " " and resid 51 and name HN ))
(( segid " " and resid 51 and name HG ))
2.100 2.100 3.900 peak 363 weight 0.10000E+01 volume 0.83151E-02 ppm1 8.374 ppm2 1.611 CV 1
ASSI { 368}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 26 and name HN ))
4.900 3.000 1.100 peak 368 weight 0.10000E+01 volume 0.25745E-03 ppm1 8.430 ppm2 7.841 CV 1
ASSI { 369}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 26 and name HA ))
2.000 0.500 0.500 peak 369 weight 0.10000E+01 volume 0.10296E-01 ppm1 8.431 ppm2 4.448 CV 1
ASSI { 370}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 27 and name HB ))
2.200 0.600 0.600 peak 370 weight 0.10000E+01 volume 0.75988E-02 ppm1 8.431 ppm2 1.930 CV 1
ASSI { 373}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 10 and name HG ))
3.200 3.200 2.800 peak 373 weight 0.10000E+01 volume 0.30728E-02 ppm1 8.432 ppm2 0.756 CV 1
ASSI { 379}
(( segid " " and resid 41 and name HN ))
(( segid " " and resid 29 and name HZ ))
3.100 1.200 1.200 peak 379 weight 0.10000E+01 volume 0.20705E-02 ppm1 8.349 ppm2 7.268 CV 1
ASSI { 380}
(( segid " " and resid 41 and name HN ))
( segid " " and resid 29 and name HE% )
4.700 2.800 1.300 peak 380 weight 0.10000E+01 volume 0.10044E-03 ppm1 8.345 ppm2 7.033 CV 1
ASSI { 382}
(( segid " " and resid 41 and name HN ))
(( segid " " and resid 41 and name HB2 ))
2.600 0.800 0.800 peak 382 weight 0.10000E+01 volume 0.65615E-02 ppm1 8.349 ppm2 2.674 CV 1
ASSI { 412}
(( segid " " and resid 75 and name HN ))
(( segid " " and resid 82 and name HN ))
6.000 6.000 0.000 peak 412 weight 0.10000E+01 volume 0.34691E-04 ppm1 8.373 ppm2 9.149 CV 1
ASSI { 414}
(( segid " " and resid 75 and name HN ))
(( segid " " and resid 80 and name HN ))
2.700 0.900 0.900 peak 414 weight 0.10000E+01 volume 0.22025E-02 ppm1 8.368 ppm2 7.325 CV 1
ASSI { 417}
(( segid " " and resid 75 and name HN ))
(( segid " " and resid 81 and name HA ))
4.000 2.000 2.000 peak 417 weight 0.10000E+01 volume 0.84313E-03 ppm1 8.368 ppm2 5.456 CV 1
ASSI { 418}
(( segid " " and resid 75 and name HN ))
(( segid " " and resid 75 and name HA ))
3.200 1.300 1.300 peak 418 weight 0.10000E+01 volume 0.73174E-03 ppm1 8.366 ppm2 3.697 CV 1
ASSI { 427}
(( segid " " and resid 87 and name HN ))
(( segid " " and resid 57 and name HA ))
4.300 2.400 1.700 peak 427 weight 0.10000E+01 volume 0.17470E-03 ppm1 8.110 ppm2 4.168 CV 1
ASSI { 428}
(( segid " " and resid 87 and name HN ))
(( segid " " and resid 86 and name HA ))
3.000 1.100 1.100 peak 428 weight 0.10000E+01 volume 0.15409E-02 ppm1 8.110 ppm2 3.572 CV 1
ASSI { 430}
(( segid " " and resid 87 and name HN ))
(( segid " " and resid 87 and name HE ))
3.500 1.600 1.600 peak 430 weight 0.10000E+01 volume 0.15050E-02 ppm1 8.107 ppm2 9.203 CV 1
ASSI { 433}
(( segid " " and resid 87 and name HN ))
(( segid " " and resid 87 and name HA ))
2.600 0.900 0.900 peak 433 weight 0.10000E+01 volume 0.28424E-02 ppm1 8.109 ppm2 3.987 CV 1
ASSI { 434}
(( segid " " and resid 87 and name HN ))
(( segid " " and resid 87 and name HB2 ))
2.600 0.800 0.800 peak 434 weight 0.10000E+01 volume 0.26560E-02 ppm1 8.109 ppm2 2.732 CV 1
ASSI { 436}
(( segid " " and resid 87 and name HN ))
(( segid " " and resid 87 and name HD2 ))
4.100 2.100 1.900 peak 436 weight 0.10000E+01 volume 0.12316E-02 ppm1 8.109 ppm2 0.811 CV 1
ASSI { 462}
(( segid " " and resid 31 and name HN ))
(( segid " " and resid 31 and name HA ))
4.600 2.600 1.400 peak 462 weight 0.10000E+01 volume 0.96060E-04 ppm1 8.562 ppm2 3.862 CV 1
ASSI { 464}
(( segid " " and resid 31 and name HN ))
(( segid " " and resid 31 and name HB2 ))
3.000 1.200 1.200 peak 464 weight 0.10000E+01 volume 0.14686E-02 ppm1 8.557 ppm2 2.529 CV 1
ASSI { 468}
(( segid " " and resid 31 and name HN ))
(( segid " " and resid 30 and name HN ))
6.000 6.000 0.000 peak 468 weight 0.10000E+01 volume 0.10568E-04 ppm1 8.542 ppm2 9.422 CV 1
ASSI { 469}
(( segid " " and resid 31 and name HN ))
(( segid " " and resid 36 and name HN ))
4.900 2.900 1.100 peak 469 weight 0.10000E+01 volume 0.64496E-04 ppm1 8.540 ppm2 7.551 CV 1
ASSI { 470}
(( segid " " and resid 31 and name HN ))
( segid " " and resid 29 and name HD% )
5.900 4.400 0.100 peak 470 weight 0.10000E+01 volume 0.89825E-04 ppm1 8.540 ppm2 6.721 CV 1
ASSI { 489}
(( segid " " and resid 63 and name HN ))
(( segid " " and resid 64 and name HA ))
3.300 3.300 2.700 peak 489 weight 0.10000E+01 volume 0.12427E-02 ppm1 8.655 ppm2 4.240 CV 1
ASSI { 490}
(( segid " " and resid 63 and name HN ))
(( segid " " and resid 62 and name HB2 ))
3.300 1.400 1.400 peak 490 weight 0.10000E+01 volume 0.27805E-02 ppm1 8.653 ppm2 2.222 CV 1
ASSI { 491}
(( segid " " and resid 63 and name HN ))
(( segid " " and resid 63 and name HB ))
3.000 1.100 1.100 peak 491 weight 0.10000E+01 volume 0.38908E-02 ppm1 8.654 ppm2 1.458 CV 1
ASSI { 501}
(( segid " " and resid 63 and name HN ))
(( segid " " and resid 62 and name HA ))
2.400 0.700 0.700 peak 501 weight 0.10000E+01 volume 0.46360E-02 ppm1 8.655 ppm2 4.803 CV 1
ASSI { 506}
(( segid " " and resid 63 and name HN ))
(( segid " " and resid 63 and name HG12))
2.500 0.800 0.800 peak 506 weight 0.10000E+01 volume 0.26292E-02 ppm1 8.653 ppm2 0.444 CV 1
ASSI { 512}
(( segid " " and resid 84 and name HN ))
( segid " " and resid 83 and name HD% )
6.000 4.700 0.000 peak 512 weight 0.10000E+01 volume 0.73191E-04 ppm1 8.938 ppm2 7.687 CV 1
ASSI { 514}
(( segid " " and resid 84 and name HN ))
(( segid " " and resid 82 and name HB ))
5.300 3.500 0.700 peak 514 weight 0.10000E+01 volume 0.13100E-03 ppm1 8.941 ppm2 4.443 CV 1
ASSI { 518}
(( segid " " and resid 84 and name HN ))
(( segid " " and resid 85 and name HN ))
4.100 2.100 1.900 peak 518 weight 0.10000E+01 volume 0.49761E-03 ppm1 8.935 ppm2 8.178 CV 1
ASSI { 520}
(( segid " " and resid 84 and name HN ))
(( segid " " and resid 82 and name HA ))
4.300 2.300 1.700 peak 520 weight 0.10000E+01 volume 0.93388E-03 ppm1 8.933 ppm2 4.695 CV 1
ASSI { 524}
(( segid " " and resid 84 and name HN ))
(( segid " " and resid 84 and name HG2 ))
2.400 0.700 0.700 peak 524 weight 0.10000E+01 volume 0.59293E-02 ppm1 8.934 ppm2 1.921 CV 1
ASSI { 529}
(( segid " " and resid 84 and name HN ))
( segid " " and resid 73 and name HD% )
5.400 3.700 0.600 peak 529 weight 0.10000E+01 volume 0.50163E-04 ppm1 8.936 ppm2 7.030 CV 1
ASSI { 530}
(( segid " " and resid 84 and name HN ))
(( segid " " and resid 73 and name HB2 ))
6.000 4.500 0.000 peak 530 weight 0.10000E+01 volume 0.32360E-04 ppm1 8.930 ppm2 3.294 CV 1
ASSI { 534}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 13 and name HA ))
3.200 1.200 1.200 peak 534 weight 0.10000E+01 volume 0.98053E-03 ppm1 8.763 ppm2 4.122 CV 1
ASSI { 535}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 12 and name HA ))
4.100 2.100 1.900 peak 535 weight 0.10000E+01 volume 0.22307E-03 ppm1 8.764 ppm2 3.360 CV 1
ASSI { 537}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 13 and name HG ))
3.100 1.200 1.200 peak 537 weight 0.10000E+01 volume 0.16110E-02 ppm1 8.764 ppm2 2.263 CV 1
ASSI { 539}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 19 and name HG2 ))
3.400 1.400 1.400 peak 539 weight 0.10000E+01 volume 0.85893E-03 ppm1 8.764 ppm2 0.831 CV 1
ASSI { 540}
(( segid " " and resid 48 and name HN ))
(( segid " " and resid 49 and name HA ))
6.000 5.600 0.000 peak 540 weight 0.10000E+01 volume 0.36408E-04 ppm1 8.581 ppm2 4.104 CV 1
ASSI { 543}
(( segid " " and resid 53 and name HN ))
(( segid " " and resid 52 and name HN ))
3.400 1.500 1.500 peak 543 weight 0.10000E+01 volume 0.63839E-03 ppm1 8.536 ppm2 8.051 CV 1
ASSI { 548}
(( segid " " and resid 76 and name HN ))
(( segid " " and resid 43 and name HE ))
3.500 3.500 2.500 peak 548 weight 0.10000E+01 volume 0.17302E-03 ppm1 8.842 ppm2 8.760 CV 1
ASSI { 554}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 14 and name HD2 ))
2.500 0.800 0.800 peak 554 weight 0.10000E+01 volume 0.94881E-02 ppm1 8.764 ppm2 1.804 CV 1
ASSI { 560}
(( segid " " and resid 57 and name HN ))
(( segid " " and resid 57 and name HA ))
3.100 1.200 1.200 peak 560 weight 0.10000E+01 volume 0.12251E-02 ppm1 8.692 ppm2 4.176 CV 1
ASSI { 561}
(( segid " " and resid 57 and name HN ))
(( segid " " and resid 56 and name HA ))
4.500 2.500 1.500 peak 561 weight 0.10000E+01 volume 0.15266E-03 ppm1 8.693 ppm2 3.586 CV 1
ASSI { 563}
(( segid " " and resid 57 and name HN ))
(( segid " " and resid 87 and name HB2 ))
3.400 1.400 1.400 peak 563 weight 0.10000E+01 volume 0.76004E-03 ppm1 8.691 ppm2 2.725 CV 1
ASSI { 564}
(( segid " " and resid 57 and name HN ))
(( segid " " and resid 57 and name HG ))
3.100 1.200 1.200 peak 564 weight 0.10000E+01 volume 0.19234E-02 ppm1 8.693 ppm2 2.234 CV 1
ASSI { 565}
(( segid " " and resid 57 and name HN ))
(( segid " " and resid 57 and name HB2 ))
2.200 0.600 0.600 peak 565 weight 0.10000E+01 volume 0.92269E-02 ppm1 8.693 ppm2 1.795 CV 1
ASSI { 568}
(( segid " " and resid 57 and name HN ))
(( segid " " and resid 87 and name HD2 ))
3.400 1.400 1.400 peak 568 weight 0.10000E+01 volume 0.12924E-02 ppm1 8.693 ppm2 0.803 CV 1
ASSI { 571}
(( segid " " and resid 53 and name HN ))
(( segid " " and resid 49 and name HA ))
2.000 2.000 4.000 peak 571 weight 0.10000E+01 volume 0.54088E-02 ppm1 8.535 ppm2 4.102 CV 1
ASSI { 572}
(( segid " " and resid 53 and name HN ))
(( segid " " and resid 53 and name HB2 ))
3.100 1.200 1.200 peak 572 weight 0.10000E+01 volume 0.18890E-02 ppm1 8.534 ppm2 2.707 CV 1
ASSI { 573}
(( segid " " and resid 53 and name HN ))
(( segid " " and resid 52 and name HB ))
3.300 1.300 1.300 peak 573 weight 0.10000E+01 volume 0.86040E-03 ppm1 8.536 ppm2 1.838 CV 1
ASSI { 575}
(( segid " " and resid 76 and name HN ))
(( segid " " and resid 60 and name HA2 ))
6.000 4.700 0.000 peak 575 weight 0.10000E+01 volume 0.11083E-04 ppm1 8.894 ppm2 4.494 CV 1
ASSI { 581}
(( segid " " and resid 76 and name HN ))
(( segid " " and resid 76 and name HE1 ))
3.900 1.900 1.900 peak 581 weight 0.10000E+01 volume 0.91433E-03 ppm1 8.883 ppm2 6.857 CV 1
ASSI { 583}
(( segid " " and resid 76 and name HN ))
(( segid " " and resid 61 and name HA ))
3.900 1.900 1.900 peak 583 weight 0.10000E+01 volume 0.62183E-03 ppm1 8.883 ppm2 6.096 CV 1
ASSI { 584}
(( segid " " and resid 76 and name HN ))
(( segid " " and resid 76 and name HA ))
3.000 1.200 1.200 peak 584 weight 0.10000E+01 volume 0.12451E-02 ppm1 8.884 ppm2 4.295 CV 1
ASSI { 585}
(( segid " " and resid 76 and name HN ))
(( segid " " and resid 75 and name HA ))
2.400 0.700 0.700 peak 585 weight 0.10000E+01 volume 0.33617E-02 ppm1 8.884 ppm2 3.693 CV 1
ASSI { 586}
(( segid " " and resid 76 and name HN ))
(( segid " " and resid 76 and name HB2 ))
2.800 1.000 1.000 peak 586 weight 0.10000E+01 volume 0.20073E-02 ppm1 8.884 ppm2 3.296 CV 1
ASSI { 594}
(( segid " " and resid 76 and name HN ))
(( segid " " and resid 61 and name HD1 ))
4.600 2.600 1.400 peak 594 weight 0.10000E+01 volume 0.32989E-04 ppm1 8.894 ppm2 7.051 CV 1
ASSI { 595}
(( segid " " and resid 76 and name HN ))
(( segid " " and resid 62 and name HN ))
5.700 4.100 0.300 peak 595 weight 0.10000E+01 volume 0.10972E-03 ppm1 8.886 ppm2 9.381 CV 1
ASSI { 602}
(( segid " " and resid 74 and name HN ))
( segid " " and resid 73 and name HD% )
5.300 3.500 0.700 peak 602 weight 0.10000E+01 volume 0.19261E-03 ppm1 9.366 ppm2 7.028 CV 1
ASSI { 605}
(( segid " " and resid 74 and name HN ))
(( segid " " and resid 74 and name HA ))
2.600 0.900 0.900 peak 605 weight 0.10000E+01 volume 0.17456E-02 ppm1 9.356 ppm2 4.172 CV 1
ASSI { 606}
(( segid " " and resid 74 and name HN ))
(( segid " " and resid 73 and name HB2 ))
3.800 1.800 1.800 peak 606 weight 0.10000E+01 volume 0.17476E-02 ppm1 9.356 ppm2 3.273 CV 1
ASSI { 607}
(( segid " " and resid 74 and name HN ))
(( segid " " and resid 74 and name HB ))
2.700 0.900 0.900 peak 607 weight 0.10000E+01 volume 0.14444E-02 ppm1 9.356 ppm2 1.728 CV 1
ASSI { 623}
(( segid " " and resid 48 and name HN ))
(( segid " " and resid 45 and name HG2 ))
3.100 1.200 1.200 peak 623 weight 0.10000E+01 volume 0.22979E-02 ppm1 8.618 ppm2 2.251 CV 1
ASSI { 625}
(( segid " " and resid 48 and name HN ))
(( segid " " and resid 52 and name HG12))
4.000 2.000 2.000 peak 625 weight 0.10000E+01 volume 0.56366E-03 ppm1 8.619 ppm2 0.895 CV 1
ASSI { 629}
(( segid " " and resid 7 and name HN ))
(( segid " " and resid 7 and name HA ))
5.200 3.400 0.800 peak 629 weight 0.10000E+01 volume 0.57170E-04 ppm1 8.294 ppm2 4.366 CV 1
ASSI { 633}
(( segid " " and resid 72 and name HN ))
(( segid " " and resid 66 and name HN ))
6.000 4.600 0.000 peak 633 weight 0.10000E+01 volume 0.43656E-04 ppm1 8.975 ppm2 9.594 CV 1
ASSI { 636}
(( segid " " and resid 72 and name HN ))
( segid " " and resid 72 and name HD% )
2.400 0.700 0.700 peak 636 weight 0.10000E+01 volume 0.26054E-02 ppm1 8.971 ppm2 6.918 CV 1
ASSI { 637}
(( segid " " and resid 72 and name HN ))
( segid " " and resid 72 and name HE% )
4.100 2.100 1.900 peak 637 weight 0.10000E+01 volume 0.14225E-02 ppm1 8.972 ppm2 6.781 CV 1
ASSI { 638}
(( segid " " and resid 72 and name HN ))
(( segid " " and resid 65 and name HA ))
3.400 1.500 1.500 peak 638 weight 0.10000E+01 volume 0.12609E-02 ppm1 8.973 ppm2 5.446 CV 1
ASSI { 639}
(( segid " " and resid 72 and name HN ))
(( segid " " and resid 71 and name HA ))
2.000 0.500 0.500 peak 639 weight 0.10000E+01 volume 0.57572E-02 ppm1 8.972 ppm2 4.105 CV 1
ASSI { 643}
(( segid " " and resid 72 and name HN ))
(( segid " " and resid 64 and name HN ))
2.900 1.100 1.100 peak 643 weight 0.10000E+01 volume 0.95978E-03 ppm1 8.970 ppm2 8.020 CV 1
ASSI { 649}
(( segid " " and resid 72 and name HN ))
(( segid " " and resid 71 and name HG2 ))
2.600 2.600 3.400 peak 649 weight 0.10000E+01 volume 0.94686E-03 ppm1 8.969 ppm2 0.826 CV 1
ASSI { 651}
(( segid " " and resid 48 and name HN ))
(( segid " " and resid 50 and name HN ))
4.500 2.600 1.500 peak 651 weight 0.10000E+01 volume 0.22840E-03 ppm1 8.613 ppm2 8.437 CV 1
ASSI { 653}
(( segid " " and resid 7 and name HN ))
(( segid " " and resid 6 and name HA ))
3.200 1.300 1.300 peak 653 weight 0.10000E+01 volume 0.12214E-02 ppm1 8.292 ppm2 4.529 CV 1
ASSI { 666}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 11 and name HN ))
5.800 4.200 0.200 peak 666 weight 0.10000E+01 volume 0.56372E-04 ppm1 8.420 ppm2 7.985 CV 1
ASSI { 668}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 6 and name HA ))
2.100 2.100 3.900 peak 668 weight 0.10000E+01 volume 0.31434E-02 ppm1 8.421 ppm2 4.554 CV 1
ASSI { 672}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 7 and name HB2 ))
2.800 1.000 1.000 peak 672 weight 0.10000E+01 volume 0.35512E-02 ppm1 8.420 ppm2 1.980 CV 1
ASSI { 677}
(( segid " " and resid 30 and name HN ))
(( segid " " and resid 29 and name HA ))
3.400 1.500 1.500 peak 677 weight 0.10000E+01 volume 0.28313E-03 ppm1 9.454 ppm2 5.250 CV 1
ASSI { 695}
(( segid " " and resid 54 and name HN ))
(( segid " " and resid 53 and name HA ))
2.700 0.900 0.900 peak 695 weight 0.10000E+01 volume 0.37986E-02 ppm1 8.396 ppm2 4.694 CV 1
ASSI { 707}
(( segid " " and resid 32 and name HN ))
(( segid " " and resid 31 and name HB2 ))
6.000 6.000 0.000 peak 707 weight 0.10000E+01 volume 0.11006E-04 ppm1 8.886 ppm2 2.548 CV 1
ASSI { 712}
(( segid " " and resid 32 and name HN ))
(( segid " " and resid 33 and name HN ))
2.900 1.000 1.000 peak 712 weight 0.10000E+01 volume 0.11654E-02 ppm1 8.884 ppm2 8.138 CV 1
ASSI { 714}
(( segid " " and resid 32 and name HN ))
(( segid " " and resid 34 and name HN ))
4.200 2.200 1.800 peak 714 weight 0.10000E+01 volume 0.45885E-03 ppm1 8.880 ppm2 6.645 CV 1
ASSI { 715}
(( segid " " and resid 32 and name HN ))
(( segid " " and resid 32 and name HD2 ))
3.100 1.200 1.200 peak 715 weight 0.10000E+01 volume 0.13318E-02 ppm1 8.883 ppm2 6.030 CV 1
ASSI { 717}
(( segid " " and resid 32 and name HN ))
(( segid " " and resid 31 and name HA ))
2.400 0.700 0.700 peak 717 weight 0.10000E+01 volume 0.27705E-02 ppm1 8.884 ppm2 3.864 CV 1
ASSI { 718}
(( segid " " and resid 32 and name HN ))
(( segid " " and resid 32 and name HB2 ))
2.400 0.700 0.700 peak 718 weight 0.10000E+01 volume 0.48956E-02 ppm1 8.885 ppm2 3.111 CV 1
ASSI { 721}
(( segid " " and resid 6 and name HN ))
(( segid " " and resid 6 and name HA ))
2.900 1.000 1.000 peak 721 weight 0.10000E+01 volume 0.25124E-02 ppm1 8.254 ppm2 4.560 CV 1
ASSI { 722}
(( segid " " and resid 6 and name HN ))
(( segid " " and resid 5 and name HB2 ))
3.300 1.300 1.300 peak 722 weight 0.10000E+01 volume 0.13927E-02 ppm1 8.254 ppm2 3.018 CV 1
ASSI { 725}
(( segid " " and resid 45 and name HN ))
(( segid " " and resid 51 and name HG ))
4.600 2.600 1.400 peak 725 weight 0.10000E+01 volume 0.34309E-04 ppm1 7.540 ppm2 1.627 CV 1
ASSI { 737}
(( segid " " and resid 49 and name HN ))
(( segid " " and resid 48 and name HN ))
3.400 1.400 1.400 peak 737 weight 0.10000E+01 volume 0.97092E-03 ppm1 8.223 ppm2 8.620 CV 1
ASSI { 738}
(( segid " " and resid 49 and name HN ))
(( segid " " and resid 50 and name HN ))
3.300 1.300 1.300 peak 738 weight 0.10000E+01 volume 0.10601E-02 ppm1 8.225 ppm2 8.429 CV 1
ASSI { 741}
(( segid " " and resid 49 and name HN ))
(( segid " " and resid 49 and name HA ))
2.400 0.700 0.700 peak 741 weight 0.10000E+01 volume 0.43437E-02 ppm1 8.224 ppm2 4.089 CV 1
ASSI { 744}
(( segid " " and resid 49 and name HN ))
(( segid " " and resid 52 and name HG12))
2.300 0.700 0.700 peak 744 weight 0.10000E+01 volume 0.74456E-02 ppm1 8.224 ppm2 0.908 CV 1
ASSI { 749}
(( segid " " and resid 45 and name HN ))
(( segid " " and resid 43 and name HN ))
2.700 2.700 3.300 peak 749 weight 0.10000E+01 volume 0.79273E-03 ppm1 7.531 ppm2 8.575 CV 1
ASSI { 751}
(( segid " " and resid 45 and name HN ))
(( segid " " and resid 44 and name HN ))
2.500 0.800 0.800 peak 751 weight 0.10000E+01 volume 0.45319E-02 ppm1 7.531 ppm2 7.337 CV 1
ASSI { 754}
(( segid " " and resid 45 and name HN ))
(( segid " " and resid 43 and name HA ))
3.300 1.400 1.400 peak 754 weight 0.10000E+01 volume 0.22401E-02 ppm1 7.533 ppm2 3.937 CV 1
ASSI { 755}
(( segid " " and resid 45 and name HN ))
(( segid " " and resid 45 and name HG2 ))
2.700 2.700 3.300 peak 755 weight 0.10000E+01 volume 0.40256E-02 ppm1 7.531 ppm2 2.221 CV 1
ASSI { 756}
(( segid " " and resid 45 and name HN ))
(( segid " " and resid 45 and name HB2 ))
2.400 0.700 0.700 peak 756 weight 0.10000E+01 volume 0.71094E-02 ppm1 7.531 ppm2 1.913 CV 1
ASSI { 758}
(( segid " " and resid 45 and name HN ))
(( segid " " and resid 46 and name HN ))
3.700 1.700 1.700 peak 758 weight 0.10000E+01 volume 0.85557E-03 ppm1 7.528 ppm2 8.477 CV 1
ASSI { 770}
(( segid " " and resid 49 and name HN ))
(( segid " " and resid 59 and name HA ))
4.600 2.600 1.400 peak 770 weight 0.10000E+01 volume 0.34073E-04 ppm1 8.225 ppm2 4.471 CV 1
ASSI { 791}
(( segid " " and resid 39 and name HN ))
(( segid " " and resid 39 and name HA ))
3.200 1.300 1.300 peak 791 weight 0.10000E+01 volume 0.78301E-03 ppm1 9.045 ppm2 5.169 CV 1
ASSI { 796}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 16 and name HN ))
4.500 2.600 1.500 peak 796 weight 0.10000E+01 volume 0.36145E-04 ppm1 9.489 ppm2 8.912 CV 1
ASSI { 801}
(( segid " " and resid 39 and name HN ))
(( segid " " and resid 40 and name HN ))
3.200 1.300 1.300 peak 801 weight 0.10000E+01 volume 0.27837E-02 ppm1 9.045 ppm2 8.497 CV 1
ASSI { 802}
(( segid " " and resid 39 and name HN ))
(( segid " " and resid 39 and name HD1 ))
3.300 1.400 1.400 peak 802 weight 0.10000E+01 volume 0.98324E-03 ppm1 9.045 ppm2 7.446 CV 1
ASSI { 803}
(( segid " " and resid 39 and name HN ))
(( segid " " and resid 38 and name HA ))
2.600 0.900 0.900 peak 803 weight 0.10000E+01 volume 0.27240E-02 ppm1 9.045 ppm2 4.806 CV 1
ASSI { 805}
(( segid " " and resid 39 and name HN ))
(( segid " " and resid 39 and name HB2 ))
2.600 0.900 0.900 peak 805 weight 0.10000E+01 volume 0.28697E-02 ppm1 9.044 ppm2 3.110 CV 1
ASSI { 815}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 3 and name HA ))
4.500 2.500 1.500 peak 815 weight 0.10000E+01 volume 0.23568E-03 ppm1 8.187 ppm2 4.365 CV 1
ASSI { 816}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 4 and name HA ))
2.300 0.600 0.600 peak 816 weight 0.10000E+01 volume 0.66761E-02 ppm1 8.181 ppm2 4.150 CV 1
ASSI { 826}
(( segid " " and resid 52 and name HN ))
(( segid " " and resid 51 and name HN ))
2.600 0.800 0.800 peak 826 weight 0.10000E+01 volume 0.25329E-02 ppm1 8.044 ppm2 8.375 CV 1
ASSI { 829}
(( segid " " and resid 52 and name HN ))
(( segid " " and resid 51 and name HA ))
2.300 2.300 3.700 peak 829 weight 0.10000E+01 volume 0.90825E-02 ppm1 8.044 ppm2 4.364 CV 1
ASSI { 830}
(( segid " " and resid 52 and name HN ))
(( segid " " and resid 49 and name HA ))
2.800 1.000 1.000 peak 830 weight 0.10000E+01 volume 0.29799E-02 ppm1 8.043 ppm2 4.100 CV 1
ASSI { 832}
(( segid " " and resid 52 and name HN ))
(( segid " " and resid 52 and name HB ))
2.600 0.800 0.800 peak 832 weight 0.10000E+01 volume 0.35133E-02 ppm1 8.044 ppm2 1.832 CV 1
ASSI { 841}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 31 and name HA ))
4.700 2.800 1.300 peak 841 weight 0.10000E+01 volume 0.18714E-03 ppm1 9.499 ppm2 3.855 CV 1
ASSI { 842}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 14 and name HD2 ))
3.100 3.100 2.900 peak 842 weight 0.10000E+01 volume 0.19708E-02 ppm1 9.499 ppm2 1.813 CV 1
ASSI { 843}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 17 and name HN ))
6.000 6.000 0.000 peak 843 weight 0.10000E+01 volume 0.10523E-04 ppm1 9.497 ppm2 7.843 CV 1
ASSI { 845}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 32 and name HD2 ))
2.800 2.800 3.200 peak 845 weight 0.10000E+01 volume 0.49171E-02 ppm1 9.496 ppm2 6.028 CV 1
ASSI { 846}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 18 and name HA ))
3.000 1.100 1.100 peak 846 weight 0.10000E+01 volume 0.10540E-02 ppm1 9.498 ppm2 4.726 CV 1
ASSI { 848}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 29 and name HB2 ))
4.000 2.000 2.000 peak 848 weight 0.10000E+01 volume 0.14049E-02 ppm1 9.497 ppm2 3.066 CV 1
ASSI { 849}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 42 and name HG2 ))
3.000 3.000 3.000 peak 849 weight 0.10000E+01 volume 0.23821E-02 ppm1 9.498 ppm2 1.988 CV 1
ASSI { 858}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 5 and name HN ))
3.400 1.500 1.500 peak 858 weight 0.10000E+01 volume 0.73381E-03 ppm1 8.491 ppm2 8.183 CV 1
ASSI { 860}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 5 and name HA ))
5.200 3.400 0.800 peak 860 weight 0.10000E+01 volume 0.16934E-03 ppm1 8.491 ppm2 4.587 CV 1
ASSI { 861}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 3 and name HA ))
2.500 0.800 0.800 peak 861 weight 0.10000E+01 volume 0.41796E-02 ppm1 8.491 ppm2 4.372 CV 1
ASSI { 862}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 4 and name HA ))
3.200 1.300 1.300 peak 862 weight 0.10000E+01 volume 0.11348E-02 ppm1 8.490 ppm2 4.162 CV 1
ASSI { 871}
(( segid " " and resid 28 and name HN ))
(( segid " " and resid 20 and name HN ))
3.500 1.500 1.500 peak 871 weight 0.10000E+01 volume 0.37535E-03 ppm1 8.721 ppm2 8.526 CV 1
ASSI { 887}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 16 and name HN ))
3.300 1.300 1.300 peak 887 weight 0.10000E+01 volume 0.10773E-02 ppm1 8.549 ppm2 8.901 CV 1
ASSI { 889}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 17 and name HD1 ))
5.800 4.200 0.200 peak 889 weight 0.10000E+01 volume 0.68298E-04 ppm1 8.550 ppm2 7.058 CV 1
ASSI { 890}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 15 and name HA ))
2.400 0.700 0.700 peak 890 weight 0.10000E+01 volume 0.71898E-02 ppm1 8.547 ppm2 4.477 CV 1
ASSI { 891}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 15 and name HB2 ))
2.400 0.700 0.700 peak 891 weight 0.10000E+01 volume 0.56480E-02 ppm1 8.547 ppm2 2.715 CV 1
ASSI { 893}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 14 and name HB2 ))
3.300 1.400 1.400 peak 893 weight 0.10000E+01 volume 0.95164E-03 ppm1 8.547 ppm2 1.988 CV 1
ASSI { 915}
(( segid " " and resid 28 and name HN ))
(( segid " " and resid 21 and name HA ))
3.000 1.100 1.100 peak 915 weight 0.10000E+01 volume 0.15763E-02 ppm1 8.714 ppm2 4.792 CV 1
ASSI { 927}
(( segid " " and resid 70 and name HN ))
(( segid " " and resid 71 and name HN ))
6.000 4.500 0.000 peak 927 weight 0.10000E+01 volume 0.10555E-03 ppm1 7.786 ppm2 8.893 CV 1
ASSI { 929}
(( segid " " and resid 70 and name HN ))
(( segid " " and resid 69 and name HN ))
2.400 0.700 0.700 peak 929 weight 0.10000E+01 volume 0.36330E-02 ppm1 7.778 ppm2 8.268 CV 1
ASSI { 931}
(( segid " " and resid 70 and name HN ))
( segid " " and resid 72 and name HE% )
3.500 1.500 1.500 peak 931 weight 0.10000E+01 volume 0.23618E-02 ppm1 7.781 ppm2 6.805 CV 1
ASSI { 933}
(( segid " " and resid 70 and name HN ))
(( segid " " and resid 70 and name HA ))
2.700 0.900 0.900 peak 933 weight 0.10000E+01 volume 0.24935E-02 ppm1 7.779 ppm2 4.523 CV 1
ASSI { 934}
(( segid " " and resid 70 and name HN ))
(( segid " " and resid 69 and name HA1 ))
3.100 1.200 1.200 peak 934 weight 0.10000E+01 volume 0.18504E-02 ppm1 7.778 ppm2 3.676 CV 1
ASSI { 936}
(( segid " " and resid 70 and name HN ))
(( segid " " and resid 63 and name HB ))
3.300 1.400 1.400 peak 936 weight 0.10000E+01 volume 0.31377E-02 ppm1 7.777 ppm2 1.467 CV 1
ASSI { 937}
(( segid " " and resid 70 and name HN ))
(( segid " " and resid 66 and name HN ))
2.900 1.100 1.100 peak 937 weight 0.10000E+01 volume 0.13024E-02 ppm1 7.775 ppm2 9.604 CV 1
ASSI { 938}
(( segid " " and resid 70 and name HN ))
(( segid " " and resid 65 and name HA ))
6.000 5.900 0.000 peak 938 weight 0.10000E+01 volume 0.36421E-04 ppm1 7.775 ppm2 5.453 CV 1
ASSI { 950}
(( segid " " and resid 26 and name HN ))
(( segid " " and resid 22 and name HN ))
3.100 1.200 1.200 peak 950 weight 0.10000E+01 volume 0.10050E-02 ppm1 7.847 ppm2 9.009 CV 1
ASSI { 953}
(( segid " " and resid 26 and name HN ))
(( segid " " and resid 27 and name HA ))
4.100 2.100 1.900 peak 953 weight 0.10000E+01 volume 0.42007E-03 ppm1 7.847 ppm2 4.817 CV 1
ASSI { 954}
(( segid " " and resid 26 and name HN ))
(( segid " " and resid 26 and name HA ))
2.700 0.900 0.900 peak 954 weight 0.10000E+01 volume 0.21701E-02 ppm1 7.846 ppm2 4.449 CV 1
ASSI { 955}
(( segid " " and resid 26 and name HN ))
(( segid " " and resid 25 and name HA ))
3.000 1.100 1.100 peak 955 weight 0.10000E+01 volume 0.23643E-02 ppm1 7.846 ppm2 4.300 CV 1
ASSI { 958}
(( segid " " and resid 26 and name HN ))
(( segid " " and resid 26 and name HB2 ))
2.200 0.600 0.600 peak 958 weight 0.10000E+01 volume 0.45297E-02 ppm1 7.847 ppm2 1.885 CV 1
ASSI { 960}
(( segid " " and resid 26 and name HN ))
(( segid " " and resid 24 and name HB2 ))
4.300 2.300 1.700 peak 960 weight 0.10000E+01 volume 0.28817E-03 ppm1 7.840 ppm2 2.990 CV 1
ASSI { 963}
(( segid " " and resid 62 and name HN ))
(( segid " " and resid 61 and name HN ))
6.000 6.000 0.000 peak 963 weight 0.10000E+01 volume 0.10574E-04 ppm1 9.386 ppm2 7.654 CV 1
ASSI { 966}
(( segid " " and resid 62 and name HN ))
(( segid " " and resid 62 and name HA ))
3.300 1.400 1.400 peak 966 weight 0.10000E+01 volume 0.65012E-03 ppm1 9.389 ppm2 4.809 CV 1
ASSI { 967}
(( segid " " and resid 62 and name HN ))
(( segid " " and resid 75 and name HA ))
4.900 3.000 1.100 peak 967 weight 0.10000E+01 volume 0.15058E-03 ppm1 9.390 ppm2 3.692 CV 1
ASSI { 970}
(( segid " " and resid 62 and name HN ))
(( segid " " and resid 74 and name HB ))
2.800 1.000 1.000 peak 970 weight 0.10000E+01 volume 0.14829E-02 ppm1 9.392 ppm2 1.734 CV 1
ASSI { 972}
(( segid " " and resid 62 and name HN ))
(( segid " " and resid 61 and name HA ))
2.500 0.800 0.800 peak 972 weight 0.10000E+01 volume 0.29894E-02 ppm1 9.386 ppm2 6.091 CV 1
ASSI { 983}
(( segid " " and resid 62 and name HN ))
(( segid " " and resid 63 and name HN ))
6.000 5.700 0.000 peak 983 weight 0.10000E+01 volume 0.35467E-04 ppm1 9.384 ppm2 8.646 CV 1
ASSI { 998}
(( segid " " and resid 50 and name HN ))
(( segid " " and resid 49 and name HA ))
2.500 2.500 3.500 peak 998 weight 0.10000E+01 volume 0.43502E-02 ppm1 8.429 ppm2 4.085 CV 1
ASSI { 999}
(( segid " " and resid 50 and name HN ))
(( segid " " and resid 50 and name HB2 ))
3.000 1.200 1.200 peak 999 weight 0.10000E+01 volume 0.29589E-02 ppm1 8.429 ppm2 3.832 CV 1
OR { 999}
(( segid " " and resid 50 and name HN ))
(( segid " " and resid 50 and name HG ))
ASSI { 1001}
(( segid " " and resid 50 and name HN ))
(( segid " " and resid 52 and name HG12))
3.700 1.700 1.700 peak 1001 weight 0.10000E+01 volume 0.11710E-02 ppm1 8.428 ppm2 0.902 CV 1
ASSI { 1006}
(( segid " " and resid 47 and name HN ))
(( segid " " and resid 47 and name HA ))
2.800 1.000 1.000 peak 1006 weight 0.10000E+01 volume 0.25786E-02 ppm1 8.208 ppm2 4.291 CV 1
ASSI { 1008}
(( segid " " and resid 47 and name HN ))
(( segid " " and resid 48 and name HN ))
3.500 1.500 1.500 peak 1008 weight 0.10000E+01 volume 0.63214E-03 ppm1 8.205 ppm2 8.619 CV 1
ASSI { 1011}
(( segid " " and resid 47 and name HN ))
(( segid " " and resid 46 and name HA1 ))
2.800 1.000 1.000 peak 1011 weight 0.10000E+01 volume 0.43040E-02 ppm1 8.206 ppm2 3.896 CV 1
ASSI { 1012}
(( segid " " and resid 47 and name HN ))
(( segid " " and resid 47 and name HB2 ))
2.900 1.100 1.100 peak 1012 weight 0.10000E+01 volume 0.23510E-02 ppm1 8.207 ppm2 2.271 CV 1
ASSI { 1013}
(( segid " " and resid 47 and name HN ))
(( segid " " and resid 47 and name HG2 ))
2.700 0.900 0.900 peak 1013 weight 0.10000E+01 volume 0.28340E-02 ppm1 8.207 ppm2 1.915 CV 1
ASSI { 1018}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 25 and name HN ))
2.800 1.000 1.000 peak 1018 weight 0.10000E+01 volume 0.19663E-02 ppm1 7.906 ppm2 8.325 CV 1
ASSI { 1020}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 24 and name HA ))
3.300 1.300 1.300 peak 1020 weight 0.10000E+01 volume 0.11177E-02 ppm1 7.905 ppm2 4.576 CV 1
ASSI { 1043}
(( segid " " and resid 43 and name HN ))
(( segid " " and resid 43 and name HG2 ))
3.900 1.900 1.900 peak 1043 weight 0.10000E+01 volume 0.61553E-03 ppm1 8.600 ppm2 1.160 CV 1
ASSI { 1044}
(( segid " " and resid 43 and name HN ))
(( segid " " and resid 43 and name HD2 ))
4.900 3.000 1.100 peak 1044 weight 0.10000E+01 volume 0.31326E-03 ppm1 8.601 ppm2 0.815 CV 1
ASSI { 1045}
(( segid " " and resid 43 and name HN ))
( segid " " and resid 29 and name HE% )
5.600 4.000 0.400 peak 1045 weight 0.10000E+01 volume 0.10958E-04 ppm1 8.595 ppm2 7.032 CV 1
ASSI { 1046}
(( segid " " and resid 43 and name HN ))
(( segid " " and resid 43 and name HB2 ))
3.200 1.300 1.300 peak 1046 weight 0.10000E+01 volume 0.16813E-02 ppm1 8.598 ppm2 1.776 CV 1
ASSI { 1049}
(( segid " " and resid 43 and name HN ))
(( segid " " and resid 42 and name HA ))
6.000 6.000 0.000 peak 1049 weight 0.10000E+01 volume 0.11040E-04 ppm1 8.591 ppm2 4.242 CV 1
ASSI { 1054}
(( segid " " and resid 43 and name HN ))
(( segid " " and resid 43 and name HA ))
3.000 1.200 1.200 peak 1054 weight 0.10000E+01 volume 0.13857E-02 ppm1 8.597 ppm2 3.941 CV 1
ASSI { 1066}
(( segid " " and resid 77 and name HD22))
(( segid " " and resid 77 and name HN ))
6.000 6.000 0.000 peak 1066 weight 0.10000E+01 volume 0.10668E-04 ppm1 7.956 ppm2 8.386 CV 1
ASSI { 1070}
(( segid " " and resid 77 and name HD21))
(( segid " " and resid 76 and name HA ))
5.300 3.500 0.700 peak 1070 weight 0.10000E+01 volume 0.25046E-03 ppm1 7.863 ppm2 4.299 CV 1
ASSI { 1081}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 9 and name HA ))
2.800 1.000 1.000 peak 1081 weight 0.10000E+01 volume 0.36319E-02 ppm1 8.217 ppm2 4.245 CV 1
ASSI { 1082}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 10 and name HB2 ))
2.300 0.700 0.700 peak 1082 weight 0.10000E+01 volume 0.56974E-02 ppm1 8.216 ppm2 1.614 CV 1
ASSI { 1084}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 10 and name HG ))
2.800 1.000 1.000 peak 1084 weight 0.10000E+01 volume 0.19351E-02 ppm1 8.217 ppm2 0.770 CV 1
ASSI { 1085}
(( segid " " and resid 77 and name HD22))
(( segid " " and resid 61 and name HD1 ))
3.600 3.600 2.400 peak 1085 weight 0.10000E+01 volume 0.13434E-03 ppm1 7.954 ppm2 7.068 CV 1
ASSI { 1086}
(( segid " " and resid 77 and name HD22))
(( segid " " and resid 76 and name HA ))
4.700 2.800 1.300 peak 1086 weight 0.10000E+01 volume 0.40678E-03 ppm1 7.957 ppm2 4.279 CV 1
ASSI { 1091}
(( segid " " and resid 77 and name HD21))
(( segid " " and resid 61 and name HD1 ))
5.400 3.700 0.600 peak 1091 weight 0.10000E+01 volume 0.12034E-04 ppm1 7.866 ppm2 7.063 CV 1
ASSI { 1108}
(( segid " " and resid 33 and name HN ))
(( segid " " and resid 16 and name HA1 ))
5.500 3.800 0.500 peak 1108 weight 0.10000E+01 volume 0.10771E-04 ppm1 8.138 ppm2 3.847 CV 1
ASSI { 1109}
(( segid " " and resid 33 and name HN ))
(( segid " " and resid 32 and name HB2 ))
5.700 4.000 0.300 peak 1109 weight 0.10000E+01 volume 0.33937E-04 ppm1 8.140 ppm2 3.116 CV 1
ASSI { 1115}
(( segid " " and resid 79 and name HN ))
(( segid " " and resid 78 and name HN ))
2.400 0.700 0.700 peak 1115 weight 0.10000E+01 volume 0.11008E-02 ppm1 7.358 ppm2 6.456 CV 1
ASSI { 1141}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 32 and name HD2 ))
3.400 3.400 2.600 peak 1141 weight 0.10000E+01 volume 0.11751E-02 ppm1 7.856 ppm2 6.030 CV 1
ASSI { 1143}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 16 and name HN ))
2.800 0.900 0.900 peak 1143 weight 0.10000E+01 volume 0.19872E-02 ppm1 7.852 ppm2 8.899 CV 1
ASSI { 1145}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 17 and name HD1 ))
3.100 1.200 1.200 peak 1145 weight 0.10000E+01 volume 0.18092E-02 ppm1 7.852 ppm2 7.065 CV 1
ASSI { 1146}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 16 and name HA2 ))
3.900 1.900 1.900 peak 1146 weight 0.10000E+01 volume 0.33367E-03 ppm1 7.851 ppm2 4.239 CV 1
ASSI { 1153}
(( segid " " and resid 61 and name HN ))
(( segid " " and resid 60 and name HN ))
3.200 1.300 1.300 peak 1153 weight 0.10000E+01 volume 0.11980E-02 ppm1 7.661 ppm2 9.121 CV 1
ASSI { 1154}
(( segid " " and resid 61 and name HN ))
(( segid " " and resid 61 and name HD1 ))
3.100 1.200 1.200 peak 1154 weight 0.10000E+01 volume 0.14719E-02 ppm1 7.663 ppm2 7.069 CV 1
ASSI { 1155}
(( segid " " and resid 61 and name HN ))
(( segid " " and resid 61 and name HA ))
3.400 1.400 1.400 peak 1155 weight 0.10000E+01 volume 0.73707E-03 ppm1 7.663 ppm2 6.096 CV 1
ASSI { 1159}
(( segid " " and resid 61 and name HN ))
(( segid " " and resid 43 and name HB2 ))
3.300 3.300 2.700 peak 1159 weight 0.10000E+01 volume 0.24985E-03 ppm1 7.663 ppm2 1.794 CV 1
ASSI { 1164}
(( segid " " and resid 68 and name HN ))
(( segid " " and resid 67 and name HA ))
3.200 1.300 1.300 peak 1164 weight 0.10000E+01 volume 0.16091E-02 ppm1 7.661 ppm2 4.244 CV 1
ASSI { 1165}
(( segid " " and resid 68 and name HN ))
(( segid " " and resid 69 and name HA1 ))
6.000 6.000 0.000 peak 1165 weight 0.10000E+01 volume 0.39065E-04 ppm1 7.662 ppm2 3.678 CV 1
ASSI { 1166}
(( segid " " and resid 61 and name HN ))
(( segid " " and resid 59 and name HA ))
3.200 1.300 1.300 peak 1166 weight 0.10000E+01 volume 0.22360E-02 ppm1 7.656 ppm2 4.456 CV 1
ASSI { 1169}
(( segid " " and resid 68 and name HN ))
(( segid " " and resid 69 and name HN ))
2.800 1.000 1.000 peak 1169 weight 0.10000E+01 volume 0.14357E-02 ppm1 7.657 ppm2 8.268 CV 1
ASSI { 1170}
(( segid " " and resid 68 and name HN ))
( segid " " and resid 72 and name HE% )
4.300 2.300 1.700 peak 1170 weight 0.10000E+01 volume 0.10220E-02 ppm1 7.655 ppm2 6.812 CV 1
ASSI { 1173}
(( segid " " and resid 61 and name HN ))
(( segid " " and resid 42 and name HD2 ))
1.900 1.900 4.100 peak 1173 weight 0.10000E+01 volume 0.67402E-02 ppm1 7.657 ppm2 1.440 CV 1
ASSI { 1186}
(( segid " " and resid 80 and name HN ))
(( segid " " and resid 78 and name HN ))
6.000 5.300 0.000 peak 1186 weight 0.10000E+01 volume 0.97586E-04 ppm1 7.311 ppm2 6.452 CV 1
ASSI { 1191}
(( segid " " and resid 80 and name HN ))
(( segid " " and resid 81 and name HB ))
6.000 4.500 0.000 peak 1191 weight 0.10000E+01 volume 0.60206E-04 ppm1 7.323 ppm2 4.147 CV 1
ASSI { 1192}
(( segid " " and resid 80 and name HN ))
(( segid " " and resid 79 and name HD2 ))
3.400 1.400 1.400 peak 1192 weight 0.10000E+01 volume 0.19760E-02 ppm1 7.316 ppm2 2.288 CV 1
ASSI { 1213}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 21 and name HA ))
2.700 0.900 0.900 peak 1213 weight 0.10000E+01 volume 0.21825E-02 ppm1 8.028 ppm2 4.778 CV 1
ASSI { 1214}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 21 and name HB ))
2.800 1.000 1.000 peak 1214 weight 0.10000E+01 volume 0.23956E-02 ppm1 8.030 ppm2 1.622 CV 1
ASSI { 1216}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 21 and name HG12))
3.200 1.300 1.300 peak 1216 weight 0.10000E+01 volume 0.54742E-02 ppm1 8.026 ppm2 0.911 CV 1
ASSI { 1222}
(( segid " " and resid 40 and name HN ))
(( segid " " and resid 39 and name HD1 ))
5.700 4.100 0.300 peak 1222 weight 0.10000E+01 volume 0.11249E-03 ppm1 8.502 ppm2 7.447 CV 1
ASSI { 1224}
(( segid " " and resid 40 and name HN ))
(( segid " " and resid 27 and name HA ))
3.300 1.400 1.400 peak 1224 weight 0.10000E+01 volume 0.12500E-02 ppm1 8.503 ppm2 4.811 CV 1
ASSI { 1225}
(( segid " " and resid 40 and name HN ))
(( segid " " and resid 40 and name HA ))
3.000 1.100 1.100 peak 1225 weight 0.10000E+01 volume 0.10887E-02 ppm1 8.501 ppm2 4.125 CV 1
ASSI { 1226}
(( segid " " and resid 40 and name HN ))
(( segid " " and resid 39 and name HB2 ))
3.300 1.400 1.400 peak 1226 weight 0.10000E+01 volume 0.19275E-02 ppm1 8.502 ppm2 3.108 CV 1
ASSI { 1234}
(( segid " " and resid 40 and name HN ))
(( segid " " and resid 39 and name HA ))
3.600 1.700 1.700 peak 1234 weight 0.10000E+01 volume 0.23347E-03 ppm1 8.502 ppm2 5.168 CV 1
ASSI { 1255}
(( segid " " and resid 73 and name HN ))
(( segid " " and resid 72 and name HB2 ))
3.800 1.800 1.800 peak 1255 weight 0.10000E+01 volume 0.12959E-02 ppm1 9.161 ppm2 2.927 CV 1
ASSI { 1256}
(( segid " " and resid 73 and name HN ))
(( segid " " and resid 74 and name HN ))
4.400 2.500 1.600 peak 1256 weight 0.10000E+01 volume 0.49673E-03 ppm1 9.148 ppm2 9.349 CV 1
ASSI { 1261}
(( segid " " and resid 73 and name HN ))
( segid " " and resid 83 and name HD% )
5.500 3.700 0.500 peak 1261 weight 0.10000E+01 volume 0.16025E-03 ppm1 9.168 ppm2 7.694 CV 1
ASSI { 1264}
(( segid " " and resid 73 and name HN ))
( segid " " and resid 73 and name HE% )
4.300 2.400 1.700 peak 1264 weight 0.10000E+01 volume 0.10552E-02 ppm1 9.155 ppm2 6.755 CV 1
ASSI { 1265}
(( segid " " and resid 73 and name HN ))
(( segid " " and resid 83 and name HA ))
2.900 1.000 1.000 peak 1265 weight 0.10000E+01 volume 0.20304E-02 ppm1 9.155 ppm2 5.109 CV 1
ASSI { 1266}
(( segid " " and resid 73 and name HN ))
(( segid " " and resid 72 and name HA ))
2.500 0.800 0.800 peak 1266 weight 0.10000E+01 volume 0.28952E-02 ppm1 9.158 ppm2 4.735 CV 1
ASSI { 1267}
(( segid " " and resid 73 and name HN ))
(( segid " " and resid 81 and name HB ))
5.400 3.700 0.600 peak 1267 weight 0.10000E+01 volume 0.24364E-03 ppm1 9.155 ppm2 4.141 CV 1
ASSI { 1270}
(( segid " " and resid 73 and name HN ))
(( segid " " and resid 81 and name HA ))
6.000 5.900 0.000 peak 1270 weight 0.10000E+01 volume 0.35057E-04 ppm1 9.148 ppm2 5.451 CV 1
ASSI { 1271}
(( segid " " and resid 73 and name HN ))
(( segid " " and resid 73 and name HB2 ))
2.400 0.700 0.700 peak 1271 weight 0.10000E+01 volume 0.22391E-02 ppm1 9.152 ppm2 3.276 CV 1
ASSI { 1273}
(( segid " " and resid 73 and name HN ))
(( segid " " and resid 82 and name HA ))
6.000 6.000 0.000 peak 1273 weight 0.10000E+01 volume 0.11905E-04 ppm1 9.116 ppm2 4.708 CV 1
ASSI { 1276}
(( segid " " and resid 29 and name HN ))
( segid " " and resid 29 and name HE% )
3.500 1.600 1.600 peak 1276 weight 0.10000E+01 volume 0.26982E-02 ppm1 9.088 ppm2 7.027 CV 1
ASSI { 1277}
(( segid " " and resid 29 and name HN ))
( segid " " and resid 29 and name HD% )
2.600 0.800 0.800 peak 1277 weight 0.10000E+01 volume 0.25278E-02 ppm1 9.090 ppm2 6.700 CV 1
ASSI { 1310}
(( segid " " and resid 77 and name HN ))
(( segid " " and resid 76 and name HN ))
2.600 0.800 0.800 peak 1310 weight 0.10000E+01 volume 0.23065E-02 ppm1 8.394 ppm2 8.886 CV 1
ASSI { 1312}
(( segid " " and resid 77 and name HN ))
(( segid " " and resid 77 and name HD21))
2.300 0.700 0.700 peak 1312 weight 0.10000E+01 volume 0.41283E-02 ppm1 8.393 ppm2 7.883 CV 1
ASSI { 1313}
(( segid " " and resid 77 and name HN ))
(( segid " " and resid 79 and name HN ))
3.700 1.700 1.700 peak 1313 weight 0.10000E+01 volume 0.10346E-02 ppm1 8.395 ppm2 7.344 CV 1
ASSI { 1314}
(( segid " " and resid 77 and name HN ))
(( segid " " and resid 78 and name HN ))
2.500 0.800 0.800 peak 1314 weight 0.10000E+01 volume 0.25176E-02 ppm1 8.394 ppm2 6.458 CV 1
ASSI { 1315}
(( segid " " and resid 77 and name HN ))
(( segid " " and resid 77 and name HA ))
2.600 0.800 0.800 peak 1315 weight 0.10000E+01 volume 0.38501E-02 ppm1 8.394 ppm2 4.322 CV 1
ASSI { 1316}
(( segid " " and resid 77 and name HN ))
(( segid " " and resid 75 and name HA ))
3.900 1.900 1.900 peak 1316 weight 0.10000E+01 volume 0.94751E-03 ppm1 8.393 ppm2 3.693 CV 1
ASSI { 1340}
(( segid " " and resid 65 and name HN ))
(( segid " " and resid 65 and name HA ))
3.000 1.200 1.200 peak 1340 weight 0.10000E+01 volume 0.10421E-02 ppm1 8.053 ppm2 5.445 CV 1
ASSI { 1342}
(( segid " " and resid 65 and name HN ))
( segid " " and resid 65 and name HD% )
2.700 0.900 0.900 peak 1342 weight 0.10000E+01 volume 0.30342E-02 ppm1 8.048 ppm2 6.786 CV 1
ASSI { 1343}
(( segid " " and resid 65 and name HN ))
(( segid " " and resid 64 and name HA ))
2.300 0.600 0.600 peak 1343 weight 0.10000E+01 volume 0.47532E-02 ppm1 8.048 ppm2 4.224 CV 1
ASSI { 1345}
(( segid " " and resid 65 and name HN ))
(( segid " " and resid 65 and name HB2 ))
2.800 1.000 1.000 peak 1345 weight 0.10000E+01 volume 0.45994E-02 ppm1 8.048 ppm2 2.643 CV 1
ASSI { 1347}
(( segid " " and resid 65 and name HN ))
(( segid " " and resid 66 and name HN ))
5.800 4.200 0.200 peak 1347 weight 0.10000E+01 volume 0.12108E-03 ppm1 8.044 ppm2 9.587 CV 1
ASSI { 1355}
(( segid " " and resid 82 and name HN ))
(( segid " " and resid 81 and name HA ))
2.300 0.700 0.700 peak 1355 weight 0.10000E+01 volume 0.37446E-02 ppm1 9.153 ppm2 5.447 CV 1
ASSI { 1357}
(( segid " " and resid 82 and name HN ))
(( segid " " and resid 82 and name HB ))
5.100 3.300 0.900 peak 1357 weight 0.10000E+01 volume 0.52192E-04 ppm1 9.153 ppm2 4.450 CV 1
ASSI { 1360}
(( segid " " and resid 82 and name HN ))
(( segid " " and resid 81 and name HB ))
3.600 1.600 1.600 peak 1360 weight 0.10000E+01 volume 0.16055E-02 ppm1 9.152 ppm2 4.132 CV 1
ASSI { 1374}
(( segid " " and resid 66 and name HN ))
(( segid " " and resid 69 and name HN ))
5.400 3.700 0.600 peak 1374 weight 0.10000E+01 volume 0.70144E-04 ppm1 9.597 ppm2 8.278 CV 1
ASSI { 1377}
(( segid " " and resid 66 and name HN ))
(( segid " " and resid 71 and name HE ))
3.400 3.400 2.600 peak 1377 weight 0.10000E+01 volume 0.19740E-02 ppm1 9.597 ppm2 6.776 CV 1
ASSI { 1378}
(( segid " " and resid 66 and name HN ))
(( segid " " and resid 65 and name HA ))
2.100 0.600 0.600 peak 1378 weight 0.10000E+01 volume 0.56665E-02 ppm1 9.597 ppm2 5.448 CV 1
ASSI { 1380}
(( segid " " and resid 66 and name HN ))
(( segid " " and resid 66 and name HA ))
2.900 1.000 1.000 peak 1380 weight 0.10000E+01 volume 0.16400E-02 ppm1 9.597 ppm2 4.599 CV 1
ASSI { 1381}
(( segid " " and resid 66 and name HN ))
(( segid " " and resid 65 and name HB2 ))
3.200 1.300 1.300 peak 1381 weight 0.10000E+01 volume 0.25501E-02 ppm1 9.597 ppm2 2.660 CV 1
ASSI { 1385}
(( segid " " and resid 66 and name HN ))
(( segid " " and resid 71 and name HA ))
4.000 2.000 2.000 peak 1385 weight 0.10000E+01 volume 0.58452E-03 ppm1 9.595 ppm2 4.111 CV 1
ASSI { 1388}
(( segid " " and resid 66 and name HN ))
(( segid " " and resid 72 and name HZ ))
6.000 6.000 0.000 peak 1388 weight 0.10000E+01 volume 0.10952E-04 ppm1 9.598 ppm2 7.112 CV 1
ASSI { 1425}
(( segid " " and resid 34 and name HN ))
(( segid " " and resid 35 and name HA ))
4.000 2.000 2.000 peak 1425 weight 0.10000E+01 volume 0.24645E-02 ppm1 6.624 ppm2 4.570 CV 1
ASSI { 1428}
(( segid " " and resid 34 and name HN ))
(( segid " " and resid 33 and name HN ))
2.500 0.800 0.800 peak 1428 weight 0.10000E+01 volume 0.26640E-02 ppm1 6.617 ppm2 8.135 CV 1
ASSI { 1429}
(( segid " " and resid 34 and name HN ))
(( segid " " and resid 35 and name HN ))
1.800 0.400 0.400 peak 1429 weight 0.10000E+01 volume 0.48445E-02 ppm1 6.622 ppm2 7.349 CV 1
ASSI { 1458}
(( segid " " and resid 60 and name HN ))
(( segid " " and resid 60 and name HA2 ))
2.700 0.900 0.900 peak 1458 weight 0.10000E+01 volume 0.35786E-02 ppm1 9.122 ppm2 4.493 CV 1
ASSI { 1459}
(( segid " " and resid 60 and name HN ))
(( segid " " and resid 60 and name HA1 ))
2.700 0.900 0.900 peak 1459 weight 0.10000E+01 volume 0.26339E-02 ppm1 9.122 ppm2 4.263 CV 1
ASSI { 1461}
(( segid " " and resid 60 and name HN ))
(( segid " " and resid 42 and name HB2 ))
2.600 2.600 3.400 peak 1461 weight 0.10000E+01 volume 0.95669E-03 ppm1 9.123 ppm2 2.409 CV 1
ASSI { 1524}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 16 and name HA2 ))
3.000 1.100 1.100 peak 1524 weight 0.10000E+01 volume 0.19688E-02 ppm1 8.905 ppm2 4.244 CV 1
ASSI { 1525}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 17 and name HD1 ))
6.000 6.000 0.000 peak 1525 weight 0.10000E+01 volume 0.32717E-04 ppm1 8.896 ppm2 7.080 CV 1
ASSI { 1543}
(( segid " " and resid 87 and name HE ))
(( segid " " and resid 87 and name HB2 ))
2.600 0.800 0.800 peak 1543 weight 0.10000E+01 volume 0.30024E-02 ppm1 9.206 ppm2 2.745 CV 1
ASSI { 1545}
(( segid " " and resid 87 and name HE ))
(( segid " " and resid 87 and name HD2 ))
3.300 1.400 1.400 peak 1545 weight 0.10000E+01 volume 0.71996E-03 ppm1 9.206 ppm2 0.812 CV 1
ASSI { 1554}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 21 and name HG12))
6.000 6.000 0.000 peak 1554 weight 0.10000E+01 volume 0.11072E-04 ppm1 8.360 ppm2 0.913 CV 1
ASSI { 1557}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 26 and name HN ))
2.200 0.600 0.600 peak 1557 weight 0.10000E+01 volume 0.55541E-02 ppm1 8.328 ppm2 7.870 CV 1
ASSI { 1560}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 25 and name HA ))
2.200 0.600 0.600 peak 1560 weight 0.10000E+01 volume 0.77709E-02 ppm1 8.328 ppm2 4.291 CV 1
ASSI { 1561}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 24 and name HB2 ))
2.900 1.100 1.100 peak 1561 weight 0.10000E+01 volume 0.31626E-02 ppm1 8.329 ppm2 2.997 CV 1
ASSI { 1569}
(( segid " " and resid 87 and name HE ))
(( segid " " and resid 87 and name HG2 ))
3.300 1.400 1.400 peak 1569 weight 0.10000E+01 volume 0.12205E-02 ppm1 9.183 ppm2 1.144 CV 1
ASSI { 1570}
(( segid " " and resid 38 and name HN ))
(( segid " " and resid 37 and name HA ))
2.400 0.700 0.700 peak 1570 weight 0.10000E+01 volume 0.26852E-02 ppm1 9.178 ppm2 5.550 CV 1
ASSI { 1574}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 25 and name HB2 ))
3.600 1.600 1.600 peak 1574 weight 0.10000E+01 volume 0.13733E-02 ppm1 8.327 ppm2 3.133 CV 1
ASSI { 1590}
(( segid " " and resid 38 and name HN ))
(( segid " " and resid 38 and name HA ))
3.000 1.200 1.200 peak 1590 weight 0.10000E+01 volume 0.11686E-02 ppm1 9.179 ppm2 4.816 CV 1
ASSI { 1593}
(( segid " " and resid 38 and name HN ))
( segid " " and resid 29 and name HD% )
4.400 2.500 1.600 peak 1593 weight 0.10000E+01 volume 0.44457E-03 ppm1 9.177 ppm2 6.707 CV 1
ASSI { 1657}
(( segid " " and resid 46 and name HN ))
(( segid " " and resid 45 and name HG2 ))
3.400 1.500 1.500 peak 1657 weight 0.10000E+01 volume 0.10901E-02 ppm1 8.470 ppm2 2.223 CV 1
ASSI { 1663}
(( segid " " and resid 46 and name HN ))
(( segid " " and resid 47 and name HN ))
3.300 1.300 1.300 peak 1663 weight 0.10000E+01 volume 0.11880E-02 ppm1 8.470 ppm2 8.207 CV 1
ASSI { 1665}
(( segid " " and resid 46 and name HN ))
(( segid " " and resid 45 and name HA ))
2.400 0.700 0.700 peak 1665 weight 0.10000E+01 volume 0.62345E-02 ppm1 8.471 ppm2 4.259 CV 1
ASSI { 1666}
(( segid " " and resid 46 and name HN ))
(( segid " " and resid 46 and name HA1 ))
2.400 0.700 0.700 peak 1666 weight 0.10000E+01 volume 0.82901E-02 ppm1 8.470 ppm2 3.899 CV 1
ASSI { 1667}
(( segid " " and resid 46 and name HN ))
(( segid " " and resid 48 and name HB2 ))
2.900 2.900 3.100 peak 1667 weight 0.10000E+01 volume 0.36056E-02 ppm1 8.470 ppm2 1.982 CV 1
ASSI { 1679}
(( segid " " and resid 81 and name HN ))
(( segid " " and resid 82 and name HN ))
6.000 4.600 0.000 peak 1679 weight 0.10000E+01 volume 0.75700E-04 ppm1 8.130 ppm2 9.159 CV 1
ASSI { 1680}
(( segid " " and resid 81 and name HN ))
(( segid " " and resid 80 and name HN ))
5.200 3.400 0.800 peak 1680 weight 0.10000E+01 volume 0.12599E-03 ppm1 8.127 ppm2 7.320 CV 1
ASSI { 1682}
(( segid " " and resid 81 and name HN ))
(( segid " " and resid 81 and name HA ))
2.700 0.900 0.900 peak 1682 weight 0.10000E+01 volume 0.20736E-02 ppm1 8.126 ppm2 5.449 CV 1
ASSI { 1683}
(( segid " " and resid 81 and name HN ))
(( segid " " and resid 81 and name HB ))
3.400 1.400 1.400 peak 1683 weight 0.10000E+01 volume 0.91601E-03 ppm1 8.125 ppm2 4.134 CV 1
ASSI { 1689}
(( segid " " and resid 81 and name HN ))
(( segid " " and resid 80 and name HA ))
2.100 0.600 0.600 peak 1689 weight 0.10000E+01 volume 0.53656E-02 ppm1 8.121 ppm2 4.862 CV 1
ASSI { 1705}
(( segid " " and resid 43 and name HE ))
(( segid " " and resid 43 and name HN ))
4.000 2.000 2.000 peak 1705 weight 0.10000E+01 volume 0.90205E-03 ppm1 8.757 ppm2 8.604 CV 1
ASSI { 1706}
(( segid " " and resid 43 and name HE ))
(( segid " " and resid 61 and name HD1 ))
6.000 4.600 0.000 peak 1706 weight 0.10000E+01 volume 0.44043E-04 ppm1 8.757 ppm2 7.074 CV 1
ASSI { 1707}
(( segid " " and resid 43 and name HE ))
(( segid " " and resid 43 and name HA ))
5.000 3.100 1.000 peak 1707 weight 0.10000E+01 volume 0.22526E-03 ppm1 8.758 ppm2 3.938 CV 1
ASSI { 1708}
(( segid " " and resid 43 and name HE ))
(( segid " " and resid 43 and name HD2 ))
3.100 1.200 1.200 peak 1708 weight 0.10000E+01 volume 0.11862E-02 ppm1 8.756 ppm2 0.824 CV 1
ASSI { 1712}
(( segid " " and resid 43 and name HE ))
(( segid " " and resid 43 and name HB2 ))
3.100 1.200 1.200 peak 1712 weight 0.10000E+01 volume 0.16771E-02 ppm1 8.754 ppm2 1.786 CV 1
ASSI { 1736}
(( segid " " and resid 43 and name HE ))
(( segid " " and resid 43 and name HG2 ))
3.700 1.700 1.700 peak 1736 weight 0.10000E+01 volume 0.86230E-03 ppm1 8.753 ppm2 1.158 CV 1
ASSI { 1749}
(( segid " " and resid 55 and name HN ))
(( segid " " and resid 54 and name HA ))
2.300 0.700 0.700 peak 1749 weight 0.10000E+01 volume 0.68423E-02 ppm1 8.488 ppm2 4.352 CV 1
ASSI { 1750}
(( segid " " and resid 55 and name HN ))
(( segid " " and resid 55 and name HA2 ))
2.400 0.700 0.700 peak 1750 weight 0.10000E+01 volume 0.55497E-02 ppm1 8.488 ppm2 4.191 CV 1
ASSI { 1752}
(( segid " " and resid 55 and name HN ))
(( segid " " and resid 56 and name HA ))
3.200 3.200 2.800 peak 1752 weight 0.10000E+01 volume 0.19091E-02 ppm1 8.488 ppm2 3.590 CV 1
ASSI { 1784}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 22 and name HA ))
2.300 0.700 0.700 peak 1784 weight 0.10000E+01 volume 0.45457E-02 ppm1 8.082 ppm2 4.857 CV 1
ASSI { 1785}
(( segid " " and resid 37 and name HN ))
(( segid " " and resid 37 and name HB ))
2.400 0.700 0.700 peak 1785 weight 0.10000E+01 volume 0.61324E-02 ppm1 8.082 ppm2 4.217 CV 1
ASSI { 1787}
(( segid " " and resid 37 and name HN ))
( segid " " and resid 36 and name HG2%)
3.300 3.300 2.700 peak 1787 weight 0.10000E+01 volume 0.27962E-02 ppm1 8.081 ppm2 0.958 CV 1
ASSI { 1794}
(( segid " " and resid 37 and name HN ))
(( segid " " and resid 37 and name HA ))
2.900 1.100 1.100 peak 1794 weight 0.10000E+01 volume 0.14097E-02 ppm1 8.082 ppm2 5.553 CV 1
ASSI { 1799}
(( segid " " and resid 37 and name HN ))
(( segid " " and resid 38 and name HN ))
6.000 6.000 0.000 peak 1799 weight 0.10000E+01 volume 0.10972E-04 ppm1 8.087 ppm2 9.182 CV 1
ASSI { 1804}
(( segid " " and resid 44 and name HN ))
(( segid " " and resid 44 and name HA ))
2.800 1.000 1.000 peak 1804 weight 0.10000E+01 volume 0.28103E-02 ppm1 7.341 ppm2 4.269 CV 1
ASSI { 1806}
(( segid " " and resid 44 and name HN ))
(( segid " " and resid 43 and name HN ))
3.100 1.200 1.200 peak 1806 weight 0.10000E+01 volume 0.22953E-02 ppm1 7.339 ppm2 8.596 CV 1
ASSI { 1815}
(( segid " " and resid 44 and name HN ))
(( segid " " and resid 51 and name HG ))
2.700 2.700 3.300 peak 1815 weight 0.10000E+01 volume 0.84818E-03 ppm1 7.341 ppm2 1.608 CV 1
ASSI { 1816}
(( segid " " and resid 44 and name HN ))
(( segid " " and resid 43 and name HA ))
2.900 1.000 1.000 peak 1816 weight 0.10000E+01 volume 0.17973E-02 ppm1 7.340 ppm2 3.942 CV 1
ASSI { 1827}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 10 and name HN ))
2.700 0.900 0.900 peak 1827 weight 0.10000E+01 volume 0.27341E-02 ppm1 7.967 ppm2 8.215 CV 1
ASSI { 1830}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 11 and name HA2 ))
2.300 0.700 0.700 peak 1830 weight 0.10000E+01 volume 0.75732E-02 ppm1 7.966 ppm2 4.190 CV 1
ASSI { 1831}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 11 and name HA1 ))
2.600 0.800 0.800 peak 1831 weight 0.10000E+01 volume 0.41746E-02 ppm1 7.967 ppm2 3.897 CV 1
ASSI { 1833}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 10 and name HB2 ))
2.800 0.900 0.900 peak 1833 weight 0.10000E+01 volume 0.16566E-02 ppm1 7.969 ppm2 1.642 CV 1
ASSI { 1835}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 8 and name HB2 ))
4.600 2.700 1.400 peak 1835 weight 0.10000E+01 volume 0.18911E-03 ppm1 7.965 ppm2 2.701 CV 1
ASSI { 1836}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 10 and name HG ))
4.000 2.000 2.000 peak 1836 weight 0.10000E+01 volume 0.78632E-03 ppm1 7.966 ppm2 0.759 CV 1
ASSI { 1842}
(( segid " " and resid 36 and name HN ))
(( segid " " and resid 35 and name HN ))
3.200 1.300 1.300 peak 1842 weight 0.10000E+01 volume 0.84927E-03 ppm1 7.580 ppm2 7.341 CV 1
ASSI { 1853}
(( segid " " and resid 69 and name HN ))
( segid " " and resid 72 and name HE% )
5.300 3.500 0.700 peak 1853 weight 0.10000E+01 volume 0.27575E-03 ppm1 8.272 ppm2 6.808 CV 1
ASSI { 1854}
(( segid " " and resid 69 and name HN ))
(( segid " " and resid 66 and name HA ))
6.000 6.000 0.000 peak 1854 weight 0.10000E+01 volume 0.10824E-04 ppm1 8.271 ppm2 4.600 CV 1
ASSI { 1855}
(( segid " " and resid 69 and name HN ))
(( segid " " and resid 67 and name HA ))
2.600 0.900 0.900 peak 1855 weight 0.10000E+01 volume 0.34553E-02 ppm1 8.266 ppm2 4.251 CV 1
ASSI { 1856}
(( segid " " and resid 69 and name HN ))
(( segid " " and resid 69 and name HA1 ))
2.500 0.800 0.800 peak 1856 weight 0.10000E+01 volume 0.35574E-02 ppm1 8.268 ppm2 3.674 CV 1
ASSI { 1858}
(( segid " " and resid 69 and name HN ))
(( segid " " and resid 68 and name HA ))
3.500 1.500 1.500 peak 1858 weight 0.10000E+01 volume 0.73017E-03 ppm1 8.265 ppm2 4.441 CV 1
assi (resi 18 and name HN) (resi 30 and name HN) 2.80 0.40 0.40
assi (resi 18 and name HN) (resi 31 and name HA) 3.60 0.40 0.40
assi (resi 20 and name HN) (resi 28 and name HN) 2.80 0.40 0.40
assi (resi 20 and name HN) (resi 29 and name HA) 3.60 0.40 0.40
assi (resi 22 and name HN) (resi 26 and name HN) 2.80 0.40 0.40
assi (resi 22 and name HN) (resi 27 and name HA) 3.60 0.40 0.40
assi (resi 32 and name HN) (resi 17 and name HA) 3.60 0.40 0.40
assi (resi 30 and name HN) (resi 19 and name HA) 3.60 0.40 0.40
assi (resi 28 and name HN) (resi 21 and name HA) 3.60 0.40 0.40
assi (resi 29 and name HN) (resi 38 and name HN) 2.80 0.40 0.40
assi (resi 29 and name HN) (resi 39 and name HA) 3.60 0.40 0.40
assi (resi 31 and name HN) (resi 36 and name HN) 2.80 0.40 0.40
assi (resi 31 and name HN) (resi 37 and name HA) 3.60 0.40 0.40
assi (resi 36 and name HN) (resi 32 and name HA) 3.60 0.40 0.40
assi (resi 38 and name HN) (resi 30 and name HA) 3.60 0.40 0.40
assi (resi 62 and name HN) (resi 74 and name HN) 2.80 0.40 0.40
assi (resi 62 and name HN) (resi 75 and name HA) 3.60 0.40 0.40
assi (resi 64 and name HN) (resi 72 and name HN) 2.80 0.40 0.40
assi (resi 64 and name HN) (resi 73 and name HA) 3.60 0.40 0.40
assi (resi 66 and name HN) (resi 70 and name HN) 2.80 0.40 0.40
assi (resi 66 and name HN) (resi 71 and name HA) 3.60 0.40 0.40
assi (resi 76 and name HN) (resi 61 and name HA) 3.60 0.30 0.40
assi (resi 74 and name HN) (resi 63 and name HA) 3.60 0.40 0.40
assi (resi 72 and name HN) (resi 65 and name HA) 3.60 0.40 0.40
assi (resi 73 and name HN) (resi 82 and name HN) 2.80 0.40 0.40
assi (resi 73 and name HN) (resi 83 and name HA) 3.60 0.40 0.40
assi (resi 75 and name HN) (resi 80 and name HN) 2.80 0.40 0.40
assi (resi 75 and name HN) (resi 81 and name HA) 3.60 0.40 0.40
assi (resi 80 and name HN) (resi 76 and name HA) 3.60 0.40 0.40
assi (resi 82 and name HN) (resi 74 and name HA) 3.60 0.40 0.40
assi (resi 17 and name HA) (resi 31 and name HA) 2.00 0.30 1.00
assi (resi 19 and name HA) (resi 29 and name HA) 2.00 0.30 1.00
assi (resi 21 and name HA) (resi 27 and name HA) 2.00 0.30 1.00
assi (resi 32 and name HA) (resi 35 and name HA) 2.00 0.30 1.00
assi (resi 30 and name HA) (resi 37 and name HA) 2.00 0.30 1.00
assi (resi 28 and name HA) (resi 39 and name HA) 2.00 0.30 1.00
assi (resi 61 and name HA) (resi 75 and name HA) 2.00 0.30 1.00
assi (resi 63 and name HA) (resi 73 and name HA) 2.00 0.30 1.00
assi (resi 65 and name HA) (resi 71 and name HA) 2.00 0.30 1.00
assi (resi 76 and name HA) (resi 79 and name HA) 2.00 0.30 1.00
assi (resi 74 and name HA) (resi 81 and name HA) 2.00 0.30 1.00
assi (resi 72 and name HA) (resi 83 and name HA) 2.00 0.30 1.00
assi (resi 45 and name HN) (resi 43 and name HA) 4.00 0.50 0.50
assi (resi 48 and name HN) (resi 46 and name HA1) 4.00 0.50 1.50
assi (resi 48 and name HN) (resi 46 and name HA2) 4.00 0.50 1.50
assi (resi 51 and name HN) (resi 49 and name HA) 4.00 0.50 0.50
assi (resi 52 and name HN) (resi 50 and name HA) 4.00 0.50 0.50
assi (resi 53 and name HN) (resi 51 and name HA) 4.00 0.50 0.50
assi (resi 54 and name HN) (resi 52 and name HA) 5.50 0.50 1.50
assi (resi 55 and name HN) (resi 53 and name HA) 4.00 0.50 0.50
Contact the webmaster for help, if required. Saturday, May 18, 2024 2:36:57 AM GMT (wattos1)