NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
3848 |
1e91   |
5457 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | ambi |
ASSI { 13}
(( segid "PAH2" and resid 23 and name HN ))
(( segid "PAH2" and resid 22 and name HN ))
2.600 0.800 0.800 peak 13 weight 0.10000E+01 volume 0.35697E-02 ppm1 8.664 ppm2 7.204 CV 1
ASSI { 15}
(( segid "PAH2" and resid 6 and name HN ))
(( segid "PAH2" and resid 5 and name HN ))
2.700 0.900 0.900 peak 15 weight 0.10000E+01 volume 0.27007E-02 ppm1 8.591 ppm2 8.373 CV 1
ASSI { 18}
(( segid "PAH2" and resid 7 and name HN ))
(( segid "PAH2" and resid 8 and name HN ))
2.700 0.900 0.900 peak 18 weight 0.10000E+01 volume 0.26828E-02 ppm1 8.532 ppm2 8.345 CV 1
ASSI { 43}
(( segid "PAH2" and resid 29 and name HN ))
(( segid "PAH2" and resid 28 and name HN ))
2.600 0.800 0.800 peak 43 weight 0.10000E+01 volume 0.32046E-02 ppm1 8.292 ppm2 6.679 CV 1
ASSI { 46}
(( segid "PAH2" and resid 30 and name HN ))
(( segid "PAH2" and resid 31 and name HN ))
2.800 1.000 1.000 peak 46 weight 0.10000E+01 volume 0.20025E-02 ppm1 8.271 ppm2 8.054 CV 1
ASSI { 54}
(( segid "PAH2" and resid 10 and name HN ))
(( segid "PAH2" and resid 9 and name HN ))
2.400 0.700 0.700 peak 54 weight 0.10000E+01 volume 0.48553E-02 ppm1 8.161 ppm2 8.339 CV 1
ASSI { 59}
(( segid "PAH2" and resid 13 and name HN ))
(( segid "PAH2" and resid 12 and name HN ))
3.000 1.100 1.100 peak 59 weight 0.10000E+01 volume 0.14372E-02 ppm1 8.129 ppm2 7.965 CV 1
ASSI { 61}
(( segid "PAH2" and resid 31 and name HN ))
(( segid "PAH2" and resid 32 and name HN ))
2.800 1.000 1.000 peak 61 weight 0.10000E+01 volume 0.22051E-02 ppm1 8.096 ppm2 7.601 CV 1
ASSI { 63}
(( segid "PAH2" and resid 58 and name HN ))
(( segid "PAH2" and resid 57 and name HN ))
2.800 1.000 1.000 peak 63 weight 0.10000E+01 volume 0.19555E-02 ppm1 8.051 ppm2 7.869 CV 1
ASSI { 65}
(( segid "PAH2" and resid 20 and name HN ))
(( segid "PAH2" and resid 21 and name HN ))
2.600 0.800 0.800 peak 65 weight 0.10000E+01 volume 0.34791E-02 ppm1 7.995 ppm2 7.193 CV 1
ASSI { 74}
(( segid "PAH2" and resid 16 and name HN ))
(( segid "PAH2" and resid 15 and name HN ))
2.600 0.800 0.800 peak 74 weight 0.10000E+01 volume 0.34327E-02 ppm1 7.954 ppm2 8.563 CV 1
ASSI { 78}
(( segid "PAH2" and resid 57 and name HN ))
(( segid "PAH2" and resid 56 and name HN ))
2.700 0.900 0.900 peak 78 weight 0.10000E+01 volume 0.26833E-02 ppm1 7.911 ppm2 8.809 CV 1
ASSI { 89}
(( segid "PAH2" and resid 24 and name HN ))
(( segid "PAH2" and resid 23 and name HN ))
2.300 0.700 0.700 peak 89 weight 0.10000E+01 volume 0.69652E-02 ppm1 7.686 ppm2 8.641 CV 1
ASSI { 90}
(( segid "PAH2" and resid 17 and name HN ))
(( segid "PAH2" and resid 16 and name HN ))
2.700 0.900 0.900 peak 90 weight 0.10000E+01 volume 0.27252E-02 ppm1 7.638 ppm2 7.937 CV 1
ASSI { 115}
(( segid "PAH2" and resid 18 and name HN ))
(( segid "PAH2" and resid 17 and name HN ))
2.800 1.000 1.000 peak 115 weight 0.10000E+01 volume 0.20785E-02 ppm1 8.359 ppm2 7.618 CV 1
ASSI { 163}
(( segid "PAH2" and resid 55 and name HN ))
(( segid "PAH2" and resid 56 and name HN ))
2.900 1.100 1.100 peak 163 weight 0.10000E+01 volume 0.15829E-02 ppm1 9.140 ppm2 8.809 CV 1
ASSI { 164}
(( segid "PAH2" and resid 54 and name HN ))
(( segid "PAH2" and resid 53 and name HN ))
3.800 1.800 1.800 peak 164 weight 0.10000E+01 volume 0.31105E-03 ppm1 8.954 ppm2 8.305 CV 1
ASSI { 193}
(( segid "PAH2" and resid 5 and name HN ))
(( segid "PAH2" and resid 4 and name HN ))
3.200 1.300 1.300 peak 193 weight 0.10000E+01 volume 0.92288E-03 ppm1 8.407 ppm2 8.110 CV 1
ASSI { 212}
(( segid "PAH2" and resid 19 and name HN ))
(( segid "PAH2" and resid 18 and name HN ))
2.900 1.000 1.000 peak 212 weight 0.10000E+01 volume 0.17987E-02 ppm1 8.091 ppm2 8.339 CV 1
ASSI { 257}
(( segid "PAH2" and resid 4 and name HN ))
(( segid "PAH2" and resid 4 and name HA ))
2.400 0.700 0.700 peak 257 weight 0.10000E+01 volume 0.48617E-02 ppm1 8.137 ppm2 4.506 CV 1
ASSI { 261}
(( segid "PAH2" and resid 8 and name HN ))
(( segid "PAH2" and resid 8 and name HA ))
2.600 0.900 0.900 peak 261 weight 0.10000E+01 volume 0.30183E-02 ppm1 8.382 ppm2 4.296 CV 1
ASSI { 262}
(( segid "PAH2" and resid 9 and name HN ))
(( segid "PAH2" and resid 9 and name HA ))
2.600 0.800 0.800 peak 262 weight 0.10000E+01 volume 0.36016E-02 ppm1 8.376 ppm2 4.561 CV 1
ASSI { 263}
(( segid "PAH2" and resid 10 and name HN ))
(( segid "PAH2" and resid 10 and name HA ))
2.600 0.900 0.900 peak 263 weight 0.10000E+01 volume 0.29660E-02 ppm1 8.160 ppm2 4.092 CV 1
ASSI { 264}
(( segid "PAH2" and resid 11 and name HN ))
(( segid "PAH2" and resid 11 and name HA ))
2.800 1.000 1.000 peak 264 weight 0.10000E+01 volume 0.21140E-02 ppm1 8.266 ppm2 3.406 CV 1
ASSI { 265}
(( segid "PAH2" and resid 12 and name HN ))
(( segid "PAH2" and resid 12 and name HA ))
2.500 0.800 0.800 peak 265 weight 0.10000E+01 volume 0.39951E-02 ppm1 8.011 ppm2 4.162 CV 1
ASSI { 266}
(( segid "PAH2" and resid 13 and name HN ))
(( segid "PAH2" and resid 13 and name HA ))
2.600 0.900 0.900 peak 266 weight 0.10000E+01 volume 0.29591E-02 ppm1 8.128 ppm2 4.406 CV 1
ASSI { 267}
(( segid "PAH2" and resid 14 and name HN ))
(( segid "PAH2" and resid 14 and name HA ))
2.500 0.800 0.800 peak 267 weight 0.10000E+01 volume 0.38901E-02 ppm1 8.583 ppm2 3.396 CV 1
ASSI { 270}
(( segid "PAH2" and resid 17 and name HN ))
(( segid "PAH2" and resid 17 and name HA ))
2.900 1.000 1.000 peak 270 weight 0.10000E+01 volume 0.18022E-02 ppm1 7.639 ppm2 3.094 CV 1
ASSI { 272}
(( segid "PAH2" and resid 19 and name HN ))
(( segid "PAH2" and resid 19 and name HA ))
2.600 0.800 0.800 peak 272 weight 0.10000E+01 volume 0.35279E-02 ppm1 8.090 ppm2 3.743 CV 1
ASSI { 273}
(( segid "PAH2" and resid 20 and name HN ))
(( segid "PAH2" and resid 20 and name HA ))
2.500 0.800 0.800 peak 273 weight 0.10000E+01 volume 0.41530E-02 ppm1 7.995 ppm2 3.760 CV 1
ASSI { 274}
(( segid "PAH2" and resid 21 and name HN ))
(( segid "PAH2" and resid 21 and name HA ))
2.800 1.000 1.000 peak 274 weight 0.10000E+01 volume 0.20855E-02 ppm1 7.209 ppm2 4.979 CV 1
ASSI { 275}
(( segid "PAH2" and resid 22 and name HN ))
(( segid "PAH2" and resid 22 and name HA ))
2.400 0.700 0.700 peak 275 weight 0.10000E+01 volume 0.51682E-02 ppm1 7.224 ppm2 3.992 CV 1
ASSI { 276}
(( segid "PAH2" and resid 23 and name HN ))
(( segid "PAH2" and resid 23 and name HA ))
2.600 0.800 0.800 peak 276 weight 0.10000E+01 volume 0.32917E-02 ppm1 8.666 ppm2 4.523 CV 1
ASSI { 278}
(( segid "PAH2" and resid 26 and name HN ))
(( segid "PAH2" and resid 26 and name HA ))
2.600 0.800 0.800 peak 278 weight 0.10000E+01 volume 0.35470E-02 ppm1 10.319 ppm2 4.199 CV 1
ASSI { 279}
(( segid "PAH2" and resid 27 and name HN ))
(( segid "PAH2" and resid 27 and name HA ))
3.000 1.100 1.100 peak 279 weight 0.10000E+01 volume 0.15004E-02 ppm1 8.200 ppm2 3.647 CV 1
ASSI { 283}
(( segid "PAH2" and resid 30 and name HN ))
(( segid "PAH2" and resid 30 and name HA ))
2.200 0.600 0.600 peak 283 weight 0.10000E+01 volume 0.92869E-02 ppm1 8.271 ppm2 4.102 CV 1
ASSI { 286}
(( segid "PAH2" and resid 33 and name HN ))
(( segid "PAH2" and resid 33 and name HA ))
2.400 0.700 0.700 peak 286 weight 0.10000E+01 volume 0.54514E-02 ppm1 8.054 ppm2 4.077 CV 1
ASSI { 288}
(( segid "PAH2" and resid 35 and name HN ))
(( segid "PAH2" and resid 35 and name HA ))
2.800 1.000 1.000 peak 288 weight 0.10000E+01 volume 0.22184E-02 ppm1 7.326 ppm2 3.804 CV 1
ASSI { 289}
(( segid "PAH2" and resid 36 and name HN ))
(( segid "PAH2" and resid 36 and name HA ))
2.700 0.900 0.900 peak 289 weight 0.10000E+01 volume 0.23473E-02 ppm1 8.722 ppm2 4.180 CV 1
ASSI { 290}
(( segid "PAH2" and resid 37 and name HN ))
(( segid "PAH2" and resid 37 and name HA ))
2.600 0.800 0.800 peak 290 weight 0.10000E+01 volume 0.35064E-02 ppm1 8.553 ppm2 3.836 CV 1
ASSI { 294}
(( segid "PAH2" and resid 39 and name HN ))
(( segid "PAH2" and resid 39 and name HA ))
2.700 0.900 0.900 peak 294 weight 0.10000E+01 volume 0.26473E-02 ppm1 8.344 ppm2 3.848 CV 1
ASSI { 296}
(( segid "PAH2" and resid 41 and name HN ))
(( segid "PAH2" and resid 41 and name HA ))
2.600 0.800 0.800 peak 296 weight 0.10000E+01 volume 0.35011E-02 ppm1 7.873 ppm2 4.166 CV 1
ASSI { 297}
(( segid "PAH2" and resid 42 and name HN ))
(( segid "PAH2" and resid 42 and name HA ))
2.600 0.800 0.800 peak 297 weight 0.10000E+01 volume 0.35302E-02 ppm1 7.658 ppm2 4.035 CV 1
ASSI { 298}
(( segid "PAH2" and resid 43 and name HN ))
(( segid "PAH2" and resid 43 and name HA ))
2.500 0.800 0.800 peak 298 weight 0.10000E+01 volume 0.36625E-02 ppm1 7.517 ppm2 4.207 CV 1
ASSI { 300}
(( segid "PAH2" and resid 45 and name HN ))
(( segid "PAH2" and resid 45 and name HA ))
3.700 1.700 1.700 peak 300 weight 0.10000E+01 volume 0.38877E-03 ppm1 8.011 ppm2 4.280 CV 1
ASSI { 302}
(( segid "PAH2" and resid 47 and name HN ))
(( segid "PAH2" and resid 47 and name HA2 ))
3.300 1.300 1.300 peak 302 weight 0.10000E+01 volume 0.82944E-03 ppm1 8.692 ppm2 4.053 CV 1
ASSI { 304}
(( segid "PAH2" and resid 50 and name HN ))
(( segid "PAH2" and resid 50 and name HA ))
2.700 0.900 0.900 peak 304 weight 0.10000E+01 volume 0.24755E-02 ppm1 8.177 ppm2 4.566 CV 1
ASSI { 305}
(( segid "PAH2" and resid 48 and name HN ))
(( segid "PAH2" and resid 48 and name HA ))
2.700 0.900 0.900 peak 305 weight 0.10000E+01 volume 0.24349E-02 ppm1 7.864 ppm2 4.661 CV 1
ASSI { 307}
(( segid "PAH2" and resid 52 and name HN ))
(( segid "PAH2" and resid 52 and name HA1 ))
2.600 0.800 0.800 peak 307 weight 0.10000E+01 volume 0.34013E-02 ppm1 7.758 ppm2 3.941 CV 1
ASSI { 308}
(( segid "PAH2" and resid 52 and name HN ))
(( segid "PAH2" and resid 52 and name HA2 ))
2.500 0.800 0.800 peak 308 weight 0.10000E+01 volume 0.41106E-02 ppm1 7.758 ppm2 3.746 CV 1
ASSI { 309}
(( segid "PAH2" and resid 53 and name HN ))
(( segid "PAH2" and resid 53 and name HA ))
2.800 1.000 1.000 peak 309 weight 0.10000E+01 volume 0.22010E-02 ppm1 8.335 ppm2 4.477 CV 1
ASSI { 310}
(( segid "PAH2" and resid 54 and name HN ))
(( segid "PAH2" and resid 54 and name HA ))
3.000 1.100 1.100 peak 310 weight 0.10000E+01 volume 0.14905E-02 ppm1 8.952 ppm2 4.775 CV 1
ASSI { 316}
(( segid "PAH2" and resid 59 and name HN ))
(( segid "PAH2" and resid 59 and name HA ))
2.700 0.900 0.900 peak 316 weight 0.10000E+01 volume 0.27959E-02 ppm1 8.362 ppm2 3.980 CV 1
ASSI { 322}
(( segid "PAH2" and resid 64 and name HN ))
(( segid "PAH2" and resid 64 and name HA ))
2.500 0.800 0.800 peak 322 weight 0.10000E+01 volume 0.42017E-02 ppm1 7.522 ppm2 4.406 CV 1
ASSI { 324}
(( segid "PAH2" and resid 66 and name HN ))
(( segid "PAH2" and resid 66 and name HA ))
2.900 1.100 1.100 peak 324 weight 0.10000E+01 volume 0.16810E-02 ppm1 8.217 ppm2 4.861 CV 1
ASSI { 325}
(( segid "PAH2" and resid 67 and name HN ))
(( segid "PAH2" and resid 67 and name HA ))
2.400 0.700 0.700 peak 325 weight 0.10000E+01 volume 0.49163E-02 ppm1 6.967 ppm2 4.087 CV 1
ASSI { 326}
(( segid "PAH2" and resid 68 and name HN ))
(( segid "PAH2" and resid 68 and name HA2 ))
2.600 0.800 0.800 peak 326 weight 0.10000E+01 volume 0.33578E-02 ppm1 9.406 ppm2 4.305 CV 1
ASSI { 327}
(( segid "PAH2" and resid 68 and name HN ))
(( segid "PAH2" and resid 68 and name HA1 ))
2.400 0.700 0.700 peak 327 weight 0.10000E+01 volume 0.47062E-02 ppm1 9.406 ppm2 3.860 CV 1
ASSI { 329}
(( segid "PAH2" and resid 70 and name HN ))
(( segid "PAH2" and resid 70 and name HA ))
2.300 0.700 0.700 peak 329 weight 0.10000E+01 volume 0.63905E-02 ppm1 8.592 ppm2 3.877 CV 1
ASSI { 330}
(( segid "PAH2" and resid 71 and name HN ))
(( segid "PAH2" and resid 71 and name HA ))
2.500 0.800 0.800 peak 330 weight 0.10000E+01 volume 0.45889E-02 ppm1 8.986 ppm2 4.364 CV 1
ASSI { 331}
(( segid "PAH2" and resid 72 and name HN ))
(( segid "PAH2" and resid 72 and name HA ))
2.700 0.900 0.900 peak 331 weight 0.10000E+01 volume 0.23269E-02 ppm1 7.775 ppm2 4.280 CV 1
ASSI { 335}
(( segid "PAH2" and resid 76 and name HN ))
(( segid "PAH2" and resid 76 and name HA ))
2.500 0.800 0.800 peak 335 weight 0.10000E+01 volume 0.39644E-02 ppm1 7.641 ppm2 4.322 CV 1
ASSI { 341}
(( segid "PAH2" and resid 82 and name HN ))
(( segid "PAH2" and resid 82 and name HA ))
2.800 1.000 1.000 peak 341 weight 0.10000E+01 volume 0.19074E-02 ppm1 9.150 ppm2 4.000 CV 1
ASSI { 369}
(( segid "PAH2" and resid 13 and name HN ))
(( segid "PAH2" and resid 14 and name HN ))
2.600 0.900 0.900 peak 369 weight 0.10000E+01 volume 0.30722E-02 ppm1 8.129 ppm2 8.583 CV 1
ASSI { 374}
(( segid "PAH2" and resid 14 and name HN ))
(( segid "PAH2" and resid 16 and name HN ))
3.700 1.700 1.700 peak 374 weight 0.10000E+01 volume 0.36666E-03 ppm1 8.583 ppm2 7.937 CV 1
ASSI { 376}
(( segid "PAH2" and resid 17 and name HN ))
(( segid "PAH2" and resid 15 and name HN ))
5.800 4.200 0.200 peak 376 weight 0.10000E+01 volume 0.26979E-04 ppm1 7.638 ppm2 8.557 CV 1
ASSI { 379}
(( segid "PAH2" and resid 24 and name HN ))
(( segid "PAH2" and resid 22 and name HN ))
3.000 1.200 1.200 peak 379 weight 0.10000E+01 volume 0.12810E-02 ppm1 7.686 ppm2 7.204 CV 1
ASSI { 381}
(( segid "PAH2" and resid 22 and name HN ))
(( segid "PAH2" and resid 20 and name HN ))
3.900 1.900 1.900 peak 381 weight 0.10000E+01 volume 0.30461E-03 ppm1 7.224 ppm2 7.995 CV 1
ASSI { 382}
(( segid "PAH2" and resid 26 and name HN ))
(( segid "PAH2" and resid 27 and name HN ))
2.600 0.800 0.800 peak 382 weight 0.10000E+01 volume 0.32905E-02 ppm1 10.319 ppm2 8.177 CV 1
ASSI { 383}
(( segid "PAH2" and resid 26 and name HN ))
(( segid "PAH2" and resid 28 and name HN ))
4.400 2.500 1.600 peak 383 weight 0.10000E+01 volume 0.13123E-03 ppm1 10.317 ppm2 6.675 CV 1
ASSI { 387}
(( segid "PAH2" and resid 28 and name HN ))
(( segid "PAH2" and resid 27 and name HN ))
2.600 0.800 0.800 peak 387 weight 0.10000E+01 volume 0.36265E-02 ppm1 6.701 ppm2 8.182 CV 1
ASSI { 388}
(( segid "PAH2" and resid 30 and name HN ))
(( segid "PAH2" and resid 28 and name HN ))
4.400 2.400 1.600 peak 388 weight 0.10000E+01 volume 0.14221E-03 ppm1 8.271 ppm2 6.685 CV 1
ASSI { 391}
(( segid "PAH2" and resid 33 and name HN ))
(( segid "PAH2" and resid 32 and name HN ))
2.700 0.900 0.900 peak 391 weight 0.10000E+01 volume 0.24895E-02 ppm1 8.054 ppm2 7.607 CV 1
ASSI { 392}
(( segid "PAH2" and resid 30 and name HN ))
(( segid "PAH2" and resid 32 and name HN ))
5.800 4.200 0.200 peak 392 weight 0.10000E+01 volume 0.27234E-04 ppm1 8.271 ppm2 7.596 CV 1
ASSI { 393}
(( segid "PAH2" and resid 33 and name HN ))
(( segid "PAH2" and resid 35 and name HN ))
5.000 3.100 1.000 peak 393 weight 0.10000E+01 volume 0.63035E-04 ppm1 8.054 ppm2 7.305 CV 1
ASSI { 394}
(( segid "PAH2" and resid 34 and name HN ))
(( segid "PAH2" and resid 35 and name HN ))
2.700 0.900 0.900 peak 394 weight 0.10000E+01 volume 0.24767E-02 ppm1 7.999 ppm2 7.299 CV 1
ASSI { 395}
(( segid "PAH2" and resid 34 and name HN ))
(( segid "PAH2" and resid 36 and name HN ))
4.300 2.300 1.700 peak 395 weight 0.10000E+01 volume 0.16333E-03 ppm1 7.999 ppm2 8.691 CV 1
ASSI { 397}
(( segid "PAH2" and resid 35 and name HN ))
(( segid "PAH2" and resid 37 and name HN ))
4.600 2.700 1.400 peak 397 weight 0.10000E+01 volume 0.10517E-03 ppm1 7.326 ppm2 8.529 CV 1
ASSI { 398}
(( segid "PAH2" and resid 35 and name HN ))
(( segid "PAH2" and resid 36 and name HN ))
2.700 0.900 0.900 peak 398 weight 0.10000E+01 volume 0.23537E-02 ppm1 7.326 ppm2 8.691 CV 1
ASSI { 399}
(( segid "PAH2" and resid 36 and name HN ))
(( segid "PAH2" and resid 37 and name HN ))
2.900 1.100 1.100 peak 399 weight 0.10000E+01 volume 0.16845E-02 ppm1 8.722 ppm2 8.512 CV 1
ASSI { 402}
(( segid "PAH2" and resid 37 and name HN ))
(( segid "PAH2" and resid 38 and name HN ))
2.700 0.900 0.900 peak 402 weight 0.10000E+01 volume 0.26509E-02 ppm1 8.554 ppm2 8.158 CV 1
ASSI { 407}
(( segid "PAH2" and resid 40 and name HN ))
(( segid "PAH2" and resid 39 and name HN ))
3.200 1.200 1.200 peak 407 weight 0.10000E+01 volume 0.10105E-02 ppm1 8.150 ppm2 8.344 CV 1
ASSI { 409}
(( segid "PAH2" and resid 41 and name HN ))
(( segid "PAH2" and resid 40 and name HN ))
2.700 0.900 0.900 peak 409 weight 0.10000E+01 volume 0.28899E-02 ppm1 7.873 ppm2 8.150 CV 1
ASSI { 410}
(( segid "PAH2" and resid 41 and name HN ))
(( segid "PAH2" and resid 39 and name HN ))
5.600 3.900 0.400 peak 410 weight 0.10000E+01 volume 0.33509E-04 ppm1 7.873 ppm2 8.344 CV 1
ASSI { 411}
(( segid "PAH2" and resid 41 and name HN ))
(( segid "PAH2" and resid 42 and name HN ))
2.800 1.000 1.000 peak 411 weight 0.10000E+01 volume 0.21198E-02 ppm1 7.873 ppm2 7.635 CV 1
ASSI { 413}
(( segid "PAH2" and resid 43 and name HN ))
(( segid "PAH2" and resid 42 and name HN ))
3.000 1.100 1.100 peak 413 weight 0.10000E+01 volume 0.15056E-02 ppm1 7.517 ppm2 7.657 CV 1
ASSI { 415}
(( segid "PAH2" and resid 44 and name HN ))
(( segid "PAH2" and resid 43 and name HN ))
3.900 1.900 1.900 peak 415 weight 0.10000E+01 volume 0.27646E-03 ppm1 8.239 ppm2 7.484 CV 1
ASSI { 417}
(( segid "PAH2" and resid 48 and name HN ))
(( segid "PAH2" and resid 47 and name HN ))
3.100 1.200 1.200 peak 417 weight 0.10000E+01 volume 0.12334E-02 ppm1 7.861 ppm2 8.663 CV 1
ASSI { 418}
(( segid "PAH2" and resid 53 and name HN ))
(( segid "PAH2" and resid 52 and name HN ))
3.300 1.400 1.400 peak 418 weight 0.10000E+01 volume 0.77430E-03 ppm1 8.333 ppm2 7.758 CV 1
ASSI { 422}
(( segid "PAH2" and resid 58 and name HN ))
(( segid "PAH2" and resid 59 and name HN ))
2.600 0.800 0.800 peak 422 weight 0.10000E+01 volume 0.32685E-02 ppm1 8.051 ppm2 8.328 CV 1
ASSI { 424}
(( segid "PAH2" and resid 62 and name HN ))
(( segid "PAH2" and resid 61 and name HN ))
2.700 0.900 0.900 peak 424 weight 0.10000E+01 volume 0.23705E-02 ppm1 8.339 ppm2 7.959 CV 1
ASSI { 426}
(( segid "PAH2" and resid 63 and name HN ))
(( segid "PAH2" and resid 62 and name HN ))
2.600 0.800 0.800 peak 426 weight 0.10000E+01 volume 0.34733E-02 ppm1 8.717 ppm2 8.339 CV 1
ASSI { 428}
(( segid "PAH2" and resid 62 and name HN ))
(( segid "PAH2" and resid 64 and name HN ))
4.200 2.200 1.800 peak 428 weight 0.10000E+01 volume 0.17366E-03 ppm1 8.339 ppm2 7.495 CV 1
ASSI { 430}
(( segid "PAH2" and resid 64 and name HN ))
(( segid "PAH2" and resid 63 and name HN ))
2.600 0.900 0.900 peak 430 weight 0.10000E+01 volume 0.29195E-02 ppm1 7.522 ppm2 8.717 CV 1
ASSI { 431}
(( segid "PAH2" and resid 65 and name HN ))
(( segid "PAH2" and resid 66 and name HN ))
2.600 0.800 0.800 peak 431 weight 0.10000E+01 volume 0.33433E-02 ppm1 7.522 ppm2 8.194 CV 1
ASSI { 432}
(( segid "PAH2" and resid 65 and name HN ))
(( segid "PAH2" and resid 63 and name HN ))
6.000 5.300 0.000 peak 432 weight 0.10000E+01 volume 0.13258E-04 ppm1 7.522 ppm2 8.717 CV 1
ASSI { 434}
(( segid "PAH2" and resid 64 and name HN ))
(( segid "PAH2" and resid 66 and name HN ))
3.700 1.700 1.700 peak 434 weight 0.10000E+01 volume 0.38611E-03 ppm1 7.522 ppm2 8.205 CV 1
ASSI { 436}
(( segid "PAH2" and resid 66 and name HN ))
(( segid "PAH2" and resid 67 and name HN ))
2.700 0.900 0.900 peak 436 weight 0.10000E+01 volume 0.28268E-02 ppm1 8.215 ppm2 6.967 CV 1
ASSI { 439}
(( segid "PAH2" and resid 67 and name HN ))
(( segid "PAH2" and resid 68 and name HN ))
3.300 1.300 1.300 peak 439 weight 0.10000E+01 volume 0.80448E-03 ppm1 6.967 ppm2 9.406 CV 1
ASSI { 442}
(( segid "PAH2" and resid 69 and name HN ))
(( segid "PAH2" and resid 67 and name HN ))
5.000 3.100 1.000 peak 442 weight 0.10000E+01 volume 0.64776E-04 ppm1 8.488 ppm2 6.967 CV 1
ASSI { 444}
(( segid "PAH2" and resid 69 and name HN ))
(( segid "PAH2" and resid 68 and name HN ))
2.500 0.800 0.800 peak 444 weight 0.10000E+01 volume 0.43074E-02 ppm1 8.491 ppm2 9.406 CV 1
ASSI { 446}
(( segid "PAH2" and resid 70 and name HN ))
(( segid "PAH2" and resid 68 and name HN ))
5.300 3.600 0.700 peak 446 weight 0.10000E+01 volume 0.43010E-04 ppm1 8.592 ppm2 9.406 CV 1
ASSI { 447}
(( segid "PAH2" and resid 71 and name HN ))
(( segid "PAH2" and resid 70 and name HN ))
2.600 0.800 0.800 peak 447 weight 0.10000E+01 volume 0.33526E-02 ppm1 8.986 ppm2 8.563 CV 1
ASSI { 448}
(( segid "PAH2" and resid 71 and name HN ))
(( segid "PAH2" and resid 72 and name HN ))
2.400 0.700 0.700 peak 448 weight 0.10000E+01 volume 0.56128E-02 ppm1 8.986 ppm2 7.752 CV 1
ASSI { 449}
(( segid "PAH2" and resid 72 and name HN ))
(( segid "PAH2" and resid 74 and name HN ))
4.200 2.300 1.800 peak 449 weight 0.10000E+01 volume 0.17047E-03 ppm1 7.775 ppm2 8.300 CV 1
ASSI { 452}
(( segid "PAH2" and resid 73 and name HN ))
(( segid "PAH2" and resid 74 and name HN ))
2.500 0.800 0.800 peak 452 weight 0.10000E+01 volume 0.40120E-02 ppm1 7.886 ppm2 8.289 CV 1
ASSI { 453}
(( segid "PAH2" and resid 72 and name HN ))
(( segid "PAH2" and resid 73 and name HN ))
3.000 1.100 1.100 peak 453 weight 0.10000E+01 volume 0.13425E-02 ppm1 7.775 ppm2 7.881 CV 1
ASSI { 457}
(( segid "PAH2" and resid 75 and name HN ))
(( segid "PAH2" and resid 74 and name HN ))
2.700 0.900 0.900 peak 457 weight 0.10000E+01 volume 0.25417E-02 ppm1 7.910 ppm2 8.293 CV 1
ASSI { 458}
(( segid "PAH2" and resid 76 and name HN ))
(( segid "PAH2" and resid 75 and name HN ))
2.400 0.700 0.700 peak 458 weight 0.10000E+01 volume 0.49273E-02 ppm1 7.641 ppm2 7.892 CV 1
ASSI { 459}
(( segid "PAH2" and resid 76 and name HN ))
(( segid "PAH2" and resid 74 and name HN ))
3.800 1.800 1.800 peak 459 weight 0.10000E+01 volume 0.31674E-03 ppm1 7.641 ppm2 8.300 CV 1
ASSI { 463}
(( segid "PAH2" and resid 78 and name HN ))
(( segid "PAH2" and resid 79 and name HN ))
2.600 0.800 0.800 peak 463 weight 0.10000E+01 volume 0.34826E-02 ppm1 7.271 ppm2 7.607 CV 1
ASSI { 466}
(( segid "PAH2" and resid 79 and name HN ))
(( segid "PAH2" and resid 80 and name HN ))
2.400 0.700 0.700 peak 466 weight 0.10000E+01 volume 0.57219E-02 ppm1 7.623 ppm2 6.831 CV 1
ASSI { 476}
(( segid "PAH2" and resid 8 and name HN ))
(( segid "PAH2" and resid 5 and name HA ))
3.400 1.500 1.500 peak 476 weight 0.10000E+01 volume 0.60249E-03 ppm1 8.382 ppm2 3.823 CV 1
ASSI { 477}
(( segid "PAH2" and resid 5 and name HN ))
(( segid "PAH2" and resid 4 and name HB3 ))
2.800 0.900 0.900 peak 477 weight 0.10000E+01 volume 0.22933E-02 ppm1 8.408 ppm2 4.020 CV 1
OR { 477}
(( segid "PAH2" and resid 5 and name HN ))
(( segid "PAH2" and resid 4 and name HB2 ))
ASSI { 480}
(( segid "PAH2" and resid 5 and name HN ))
(( segid "PAH2" and resid 5 and name HB ))
2.300 0.600 0.600 peak 480 weight 0.10000E+01 volume 0.73251E-02 ppm1 8.408 ppm2 2.049 CV 1
ASSI { 481}
(( segid "PAH2" and resid 5 and name HN ))
( segid "PAH2" and resid 5 and name HG2%)
2.300 0.600 0.600 peak 481 weight 0.10000E+01 volume 0.72902E-02 ppm1 8.408 ppm2 0.992 CV 1
ASSI { 485}
(( segid "PAH2" and resid 4 and name HN ))
(( segid "PAH2" and resid 4 and name HB2 ))
2.200 0.600 0.600 peak 485 weight 0.10000E+01 volume 0.78301E-02 ppm1 8.138 ppm2 3.996 CV 1
ASSI { 486}
(( segid "PAH2" and resid 4 and name HN ))
(( segid "PAH2" and resid 7 and name HB2 ))
4.100 2.100 1.900 peak 486 weight 0.10000E+01 volume 0.19863E-03 ppm1 8.137 ppm2 3.262 CV 1
ASSI { 487}
(( segid "PAH2" and resid 4 and name HN ))
(( segid "PAH2" and resid 7 and name HB3 ))
3.500 1.500 1.500 peak 487 weight 0.10000E+01 volume 0.54909E-03 ppm1 8.137 ppm2 2.990 CV 1
ASSI { 490}
(( segid "PAH2" and resid 4 and name HN ))
( segid "PAH2" and resid 5 and name HG2%)
4.200 2.200 1.800 peak 490 weight 0.10000E+01 volume 0.19189E-03 ppm1 8.138 ppm2 0.984 CV 1
ASSI { 495}
(( segid "PAH2" and resid 7 and name HN ))
(( segid "PAH2" and resid 6 and name HA ))
3.000 1.100 1.100 peak 495 weight 0.10000E+01 volume 0.14882E-02 ppm1 8.530 ppm2 4.184 CV 1
ASSI { 496}
(( segid "PAH2" and resid 7 and name HN ))
(( segid "PAH2" and resid 4 and name HB2 ))
3.700 1.700 1.700 peak 496 weight 0.10000E+01 volume 0.38158E-03 ppm1 8.530 ppm2 3.980 CV 1
OR { 496}
(( segid "PAH2" and resid 7 and name HN ))
(( segid "PAH2" and resid 4 and name HB3 ))
ASSI { 497}
(( segid "PAH2" and resid 7 and name HN ))
(( segid "PAH2" and resid 7 and name HB2 ))
2.500 0.800 0.800 peak 497 weight 0.10000E+01 volume 0.44827E-02 ppm1 8.530 ppm2 3.251 CV 1
ASSI { 498}
(( segid "PAH2" and resid 7 and name HN ))
(( segid "PAH2" and resid 7 and name HB3 ))
2.400 0.700 0.700 peak 498 weight 0.10000E+01 volume 0.49447E-02 ppm1 8.530 ppm2 2.989 CV 1
ASSI { 499}
(( segid "PAH2" and resid 7 and name HN ))
(( segid "PAH2" and resid 6 and name HG3 ))
3.700 1.700 1.700 peak 499 weight 0.10000E+01 volume 0.37798E-03 ppm1 8.530 ppm2 2.338 CV 1
OR { 499}
(( segid "PAH2" and resid 7 and name HN ))
(( segid "PAH2" and resid 6 and name HG2 ))
ASSI { 500}
(( segid "PAH2" and resid 7 and name HN ))
(( segid "PAH2" and resid 6 and name HB2 ))
2.600 0.800 0.800 peak 500 weight 0.10000E+01 volume 0.34355E-02 ppm1 8.530 ppm2 2.030 CV 1
ASSI { 502}
(( segid "PAH2" and resid 8 and name HN ))
(( segid "PAH2" and resid 7 and name HB2 ))
3.000 1.100 1.100 peak 502 weight 0.10000E+01 volume 0.14099E-02 ppm1 8.382 ppm2 3.258 CV 1
ASSI { 504}
(( segid "PAH2" and resid 8 and name HN ))
(( segid "PAH2" and resid 8 and name HB2 ))
2.700 0.900 0.900 peak 504 weight 0.10000E+01 volume 0.27605E-02 ppm1 8.382 ppm2 2.752 CV 1
ASSI { 506}
(( segid "PAH2" and resid 9 and name HN ))
(( segid "PAH2" and resid 6 and name HA ))
3.000 1.100 1.100 peak 506 weight 0.10000E+01 volume 0.14818E-02 ppm1 8.376 ppm2 4.185 CV 1
ASSI { 508}
(( segid "PAH2" and resid 12 and name HN ))
(( segid "PAH2" and resid 8 and name HA ))
3.800 1.800 1.800 peak 508 weight 0.10000E+01 volume 0.31396E-03 ppm1 8.014 ppm2 4.330 CV 1
ASSI { 509}
(( segid "PAH2" and resid 12 and name HN ))
(( segid "PAH2" and resid 9 and name HA ))
3.000 1.100 1.100 peak 509 weight 0.10000E+01 volume 0.14790E-02 ppm1 8.011 ppm2 4.565 CV 1
ASSI { 510}
(( segid "PAH2" and resid 11 and name HN ))
(( segid "PAH2" and resid 10 and name HA ))
3.000 1.100 1.100 peak 510 weight 0.10000E+01 volume 0.13135E-02 ppm1 8.266 ppm2 4.079 CV 1
ASSI { 512}
(( segid "PAH2" and resid 14 and name HN ))
(( segid "PAH2" and resid 10 and name HA ))
3.300 1.400 1.400 peak 512 weight 0.10000E+01 volume 0.72554E-03 ppm1 8.583 ppm2 4.079 CV 1
ASSI { 513}
(( segid "PAH2" and resid 14 and name HN ))
(( segid "PAH2" and resid 13 and name HA ))
3.300 1.400 1.400 peak 513 weight 0.10000E+01 volume 0.74586E-03 ppm1 8.583 ppm2 4.394 CV 1
ASSI { 514}
(( segid "PAH2" and resid 12 and name HN ))
(( segid "PAH2" and resid 11 and name HA ))
3.100 1.200 1.200 peak 514 weight 0.10000E+01 volume 0.10772E-02 ppm1 8.011 ppm2 3.406 CV 1
ASSI { 515}
(( segid "PAH2" and resid 11 and name HN ))
( segid "PAH2" and resid 10 and name HB% )
2.600 0.800 0.800 peak 515 weight 0.10000E+01 volume 0.36481E-02 ppm1 8.266 ppm2 1.406 CV 1
ASSI { 530}
(( segid "PAH2" and resid 12 and name HN ))
(( segid "PAH2" and resid 11 and name HN ))
2.500 0.800 0.800 peak 530 weight 0.10000E+01 volume 0.38599E-02 ppm1 8.011 ppm2 8.266 CV 1
ASSI { 531}
(( segid "PAH2" and resid 12 and name HN ))
(( segid "PAH2" and resid 14 and name HN ))
4.300 2.300 1.700 peak 531 weight 0.10000E+01 volume 0.15567E-03 ppm1 8.011 ppm2 8.583 CV 1
ASSI { 536}
(( segid "PAH2" and resid 15 and name HN ))
(( segid "PAH2" and resid 13 and name HN ))
4.500 2.500 1.500 peak 536 weight 0.10000E+01 volume 0.11939E-03 ppm1 8.579 ppm2 8.115 CV 1
ASSI { 592}
(( segid "PAH2" and resid 77 and name HN ))
(( segid "PAH2" and resid 77 and name HA2 ))
2.200 0.600 0.600 peak 592 weight 0.10000E+01 volume 0.81551E-02 ppm1 7.753 ppm2 3.845 CV 1
ASSI { 593}
(( segid "PAH2" and resid 77 and name HN ))
(( segid "PAH2" and resid 77 and name HA1 ))
2.300 0.700 0.700 peak 593 weight 0.10000E+01 volume 0.59958E-02 ppm1 7.753 ppm2 3.463 CV 1
ASSI { 601}
(( segid "PAH2" and resid 24 and name HN ))
(( segid "PAH2" and resid 24 and name HA ))
2.700 0.900 0.900 peak 601 weight 0.10000E+01 volume 0.24401E-02 ppm1 7.686 ppm2 5.170 CV 1
ASSI { 606}
(( segid "PAH2" and resid 61 and name HN ))
(( segid "PAH2" and resid 61 and name HA ))
2.600 0.800 0.800 peak 606 weight 0.10000E+01 volume 0.32254E-02 ppm1 7.969 ppm2 4.037 CV 1
ASSI { 623}
(( segid "PAH2" and resid 10 and name HN ))
(( segid "PAH2" and resid 9 and name HB2 ))
2.800 1.000 1.000 peak 623 weight 0.10000E+01 volume 0.18858E-02 ppm1 8.160 ppm2 3.096 CV 1
ASSI { 626}
(( segid "PAH2" and resid 10 and name HN ))
(( segid "PAH2" and resid 7 and name HA ))
2.700 0.900 0.900 peak 626 weight 0.10000E+01 volume 0.24413E-02 ppm1 8.160 ppm2 4.526 CV 1
ASSI { 629}
(( segid "PAH2" and resid 11 and name HN ))
(( segid "PAH2" and resid 11 and name HB ))
2.500 0.800 0.800 peak 629 weight 0.10000E+01 volume 0.45262E-02 ppm1 8.266 ppm2 1.736 CV 1
ASSI { 631}
(( segid "PAH2" and resid 11 and name HN ))
( segid "PAH2" and resid 11 and name HG2%)
3.000 1.100 1.100 peak 631 weight 0.10000E+01 volume 0.14226E-02 ppm1 8.266 ppm2 0.878 CV 1
ASSI { 632}
(( segid "PAH2" and resid 11 and name HN ))
(( segid "PAH2" and resid 11 and name HG13))
2.900 1.000 1.000 peak 632 weight 0.10000E+01 volume 0.18133E-02 ppm1 8.266 ppm2 0.512 CV 1
ASSI { 634}
(( segid "PAH2" and resid 11 and name HN ))
(( segid "PAH2" and resid 7 and name HA ))
4.100 2.100 1.900 peak 634 weight 0.10000E+01 volume 0.20588E-03 ppm1 8.266 ppm2 4.537 CV 1
ASSI { 635}
(( segid "PAH2" and resid 12 and name HN ))
(( segid "PAH2" and resid 15 and name HB3 ))
3.700 1.700 1.700 peak 635 weight 0.10000E+01 volume 0.39011E-03 ppm1 8.013 ppm2 2.780 CV 1
OR { 635}
(( segid "PAH2" and resid 12 and name HN ))
(( segid "PAH2" and resid 15 and name HB2 ))
ASSI { 636}
(( segid "PAH2" and resid 12 and name HN ))
(( segid "PAH2" and resid 11 and name HB ))
2.500 0.800 0.800 peak 636 weight 0.10000E+01 volume 0.40926E-02 ppm1 8.010 ppm2 1.726 CV 1
ASSI { 641}
(( segid "PAH2" and resid 13 and name HN ))
(( segid "PAH2" and resid 13 and name HB3 ))
2.400 0.700 0.700 peak 641 weight 0.10000E+01 volume 0.54358E-02 ppm1 8.128 ppm2 3.447 CV 1
ASSI { 642}
(( segid "PAH2" and resid 13 and name HN ))
(( segid "PAH2" and resid 13 and name HB2 ))
2.400 0.700 0.700 peak 642 weight 0.10000E+01 volume 0.52007E-02 ppm1 8.129 ppm2 2.822 CV 1
ASSI { 644}
(( segid "PAH2" and resid 13 and name HN ))
( segid "PAH2" and resid 14 and name HG2%)
3.500 1.500 1.500 peak 644 weight 0.10000E+01 volume 0.56128E-03 ppm1 8.129 ppm2 1.209 CV 1
ASSI { 646}
(( segid "PAH2" and resid 13 and name HN ))
( segid "MAD1" and resid 205 and name HD1%)
4.900 3.000 1.100 peak 646 weight 0.10000E+01 volume 0.73715E-04 ppm1 8.129 ppm2 0.881 CV 1
ASSI { 647}
(( segid "PAH2" and resid 13 and name HN ))
( segid "MAD1" and resid 205 and name HD2%)
4.900 3.000 1.100 peak 647 weight 0.10000E+01 volume 0.74122E-04 ppm1 8.129 ppm2 0.174 CV 1
ASSI { 648}
(( segid "PAH2" and resid 14 and name HN ))
(( segid "PAH2" and resid 13 and name HB2 ))
2.700 0.900 0.900 peak 648 weight 0.10000E+01 volume 0.24825E-02 ppm1 8.583 ppm2 2.822 CV 1
ASSI { 649}
(( segid "PAH2" and resid 14 and name HN ))
(( segid "PAH2" and resid 14 and name HB ))
2.500 0.800 0.800 peak 649 weight 0.10000E+01 volume 0.42111E-02 ppm1 8.583 ppm2 2.017 CV 1
ASSI { 650}
(( segid "PAH2" and resid 14 and name HN ))
( segid "PAH2" and resid 14 and name HG2%)
2.200 0.600 0.600 peak 650 weight 0.10000E+01 volume 0.77546E-02 ppm1 8.582 ppm2 1.204 CV 1
ASSI { 652}
(( segid "PAH2" and resid 14 and name HN ))
( segid "MAD1" and resid 205 and name HD2%)
3.900 1.900 1.900 peak 652 weight 0.10000E+01 volume 0.26468E-03 ppm1 8.582 ppm2 0.157 CV 1
ASSI { 653}
(( segid "PAH2" and resid 14 and name HN ))
( segid "PAH2" and resid 13 and name HD% )
3.100 1.200 1.200 peak 653 weight 0.10000E+01 volume 0.10593E-02 ppm1 8.583 ppm2 6.948 CV 1
ASSI { 654}
(( segid "PAH2" and resid 15 and name HN ))
(( segid "PAH2" and resid 12 and name HA ))
3.300 1.400 1.400 peak 654 weight 0.10000E+01 volume 0.79404E-03 ppm1 8.579 ppm2 4.150 CV 1
ASSI { 655}
(( segid "PAH2" and resid 15 and name HN ))
(( segid "PAH2" and resid 14 and name HA ))
3.100 1.200 1.200 peak 655 weight 0.10000E+01 volume 0.10442E-02 ppm1 8.579 ppm2 3.367 CV 1
ASSI { 656}
(( segid "PAH2" and resid 15 and name HN ))
(( segid "PAH2" and resid 15 and name HB2 ))
2.100 0.600 0.600 peak 656 weight 0.10000E+01 volume 0.10784E-01 ppm1 8.579 ppm2 2.749 CV 1
OR { 656}
(( segid "PAH2" and resid 15 and name HN ))
(( segid "PAH2" and resid 15 and name HB3 ))
ASSI { 657}
(( segid "PAH2" and resid 15 and name HN ))
(( segid "PAH2" and resid 14 and name HB ))
2.700 0.900 0.900 peak 657 weight 0.10000E+01 volume 0.24436E-02 ppm1 8.579 ppm2 2.004 CV 1
ASSI { 658}
(( segid "PAH2" and resid 15 and name HN ))
( segid "PAH2" and resid 14 and name HG1%)
2.800 1.000 1.000 peak 658 weight 0.10000E+01 volume 0.22643E-02 ppm1 8.579 ppm2 1.196 CV 1
OR { 658}
(( segid "PAH2" and resid 15 and name HN ))
( segid "PAH2" and resid 14 and name HG2%)
ASSI { 659}
(( segid "PAH2" and resid 15 and name HN ))
( segid "MAD1" and resid 212 and name HD1%)
2.700 0.900 0.900 peak 659 weight 0.10000E+01 volume 0.24355E-02 ppm1 8.579 ppm2 0.906 CV 1
ASSI { 660}
(( segid "PAH2" and resid 16 and name HN ))
(( segid "PAH2" and resid 15 and name HA ))
2.800 0.900 0.900 peak 660 weight 0.10000E+01 volume 0.22968E-02 ppm1 7.955 ppm2 4.377 CV 1
ASSI { 661}
(( segid "PAH2" and resid 16 and name HN ))
(( segid "PAH2" and resid 15 and name HB2 ))
2.500 0.800 0.800 peak 661 weight 0.10000E+01 volume 0.39162E-02 ppm1 7.955 ppm2 2.761 CV 1
ASSI { 662}
(( segid "PAH2" and resid 16 and name HN ))
(( segid "PAH2" and resid 16 and name HB2 ))
2.100 0.600 0.600 peak 662 weight 0.10000E+01 volume 0.10651E-01 ppm1 7.955 ppm2 1.941 CV 1
OR { 662}
(( segid "PAH2" and resid 16 and name HN ))
(( segid "PAH2" and resid 16 and name HB3 ))
ASSI { 666}
(( segid "PAH2" and resid 17 and name HN ))
(( segid "PAH2" and resid 14 and name HA ))
3.200 1.300 1.300 peak 666 weight 0.10000E+01 volume 0.85730E-03 ppm1 7.639 ppm2 3.357 CV 1
ASSI { 667}
(( segid "PAH2" and resid 17 and name HN ))
(( segid "PAH2" and resid 16 and name HA ))
3.500 1.600 1.600 peak 667 weight 0.10000E+01 volume 0.50399E-03 ppm1 7.639 ppm2 3.823 CV 1
ASSI { 668}
(( segid "PAH2" and resid 17 and name HN ))
(( segid "PAH2" and resid 15 and name HA ))
4.300 2.300 1.700 peak 668 weight 0.10000E+01 volume 0.16136E-03 ppm1 7.639 ppm2 4.365 CV 1
ASSI { 669}
(( segid "PAH2" and resid 17 and name HN ))
(( segid "PAH2" and resid 16 and name HB3 ))
2.900 1.000 1.000 peak 669 weight 0.10000E+01 volume 0.17790E-02 ppm1 7.639 ppm2 1.972 CV 1
ASSI { 670}
(( segid "PAH2" and resid 17 and name HN ))
(( segid "PAH2" and resid 17 and name HB ))
2.400 0.700 0.700 peak 670 weight 0.10000E+01 volume 0.56133E-02 ppm1 7.639 ppm2 1.821 CV 1
ASSI { 673}
(( segid "PAH2" and resid 17 and name HN ))
(( segid "PAH2" and resid 17 and name HG13))
2.500 0.800 0.800 peak 673 weight 0.10000E+01 volume 0.40108E-02 ppm1 7.639 ppm2 1.040 CV 1
ASSI { 676}
(( segid "PAH2" and resid 17 and name HN ))
(( segid "PAH2" and resid 17 and name HG12))
2.800 1.000 1.000 peak 676 weight 0.10000E+01 volume 0.19717E-02 ppm1 7.639 ppm2 0.334 CV 1
ASSI { 679}
(( segid "PAH2" and resid 18 and name HN ))
( segid "PAH2" and resid 28 and name HD% )
3.600 1.600 1.600 peak 679 weight 0.10000E+01 volume 0.46138E-03 ppm1 8.361 ppm2 7.002 CV 1
ASSI { 680}
(( segid "PAH2" and resid 18 and name HN ))
( segid "PAH2" and resid 28 and name HE% )
3.300 1.400 1.400 peak 680 weight 0.10000E+01 volume 0.71335E-03 ppm1 8.364 ppm2 6.709 CV 1
ASSI { 681}
(( segid "PAH2" and resid 18 and name HN ))
(( segid "PAH2" and resid 15 and name HA ))
3.100 1.200 1.200 peak 681 weight 0.10000E+01 volume 0.11127E-02 ppm1 8.359 ppm2 4.365 CV 1
ASSI { 682}
(( segid "PAH2" and resid 18 and name HN ))
(( segid "PAH2" and resid 17 and name HB ))
2.600 0.800 0.800 peak 682 weight 0.10000E+01 volume 0.32151E-02 ppm1 8.359 ppm2 1.795 CV 1
ASSI { 684}
(( segid "PAH2" and resid 18 and name HN ))
(( segid "PAH2" and resid 18 and name HB2 ))
2.400 0.700 0.700 peak 684 weight 0.10000E+01 volume 0.55385E-02 ppm1 8.359 ppm2 1.216 CV 1
ASSI { 686}
(( segid "PAH2" and resid 18 and name HN ))
(( segid "PAH2" and resid 18 and name HG2 ))
3.400 1.500 1.500 peak 686 weight 0.10000E+01 volume 0.63557E-03 ppm1 8.359 ppm2 0.498 CV 1
ASSI { 687}
(( segid "PAH2" and resid 18 and name HN ))
( segid "PAH2" and resid 17 and name HD1%)
4.200 2.200 1.800 peak 687 weight 0.10000E+01 volume 0.18487E-03 ppm1 8.359 ppm2 -0.018 CV 1
ASSI { 691}
(( segid "PAH2" and resid 19 and name HN ))
( segid "PAH2" and resid 28 and name HD% )
5.100 3.200 0.900 peak 691 weight 0.10000E+01 volume 0.58856E-04 ppm1 8.091 ppm2 6.997 CV 1
ASSI { 693}
(( segid "PAH2" and resid 19 and name HN ))
(( segid "PAH2" and resid 18 and name HA ))
3.200 1.300 1.300 peak 693 weight 0.10000E+01 volume 0.86601E-03 ppm1 8.091 ppm2 3.068 CV 1
ASSI { 698}
(( segid "PAH2" and resid 19 and name HN ))
(( segid "PAH2" and resid 18 and name HB3 ))
2.600 0.900 0.900 peak 698 weight 0.10000E+01 volume 0.29149E-02 ppm1 8.091 ppm2 1.581 CV 1
ASSI { 700}
(( segid "PAH2" and resid 19 and name HN ))
( segid "PAH2" and resid 22 and name HD2%)
4.100 2.100 1.900 peak 700 weight 0.10000E+01 volume 0.21395E-03 ppm1 8.091 ppm2 0.863 CV 1
OR { 700}
(( segid "PAH2" and resid 19 and name HN ))
( segid "PAH2" and resid 22 and name HD1%)
ASSI { 703}
(( segid "PAH2" and resid 20 and name HN ))
( segid "PAH2" and resid 72 and name HD1%)
5.600 3.900 0.400 peak 703 weight 0.10000E+01 volume 0.32585E-04 ppm1 7.992 ppm2 0.150 CV 1
ASSI { 704}
(( segid "PAH2" and resid 20 and name HN ))
(( segid "PAH2" and resid 20 and name HG2 ))
3.400 1.400 1.400 peak 704 weight 0.10000E+01 volume 0.65415E-03 ppm1 7.995 ppm2 0.435 CV 1
ASSI { 706}
(( segid "PAH2" and resid 20 and name HN ))
(( segid "PAH2" and resid 20 and name HB3 ))
2.400 0.700 0.700 peak 706 weight 0.10000E+01 volume 0.56917E-02 ppm1 7.995 ppm2 1.090 CV 1
ASSI { 707}
(( segid "PAH2" and resid 20 and name HN ))
(( segid "PAH2" and resid 20 and name HB2 ))
2.400 0.700 0.700 peak 707 weight 0.10000E+01 volume 0.49743E-02 ppm1 7.995 ppm2 1.578 CV 1
ASSI { 710}
(( segid "PAH2" and resid 21 and name HN ))
(( segid "PAH2" and resid 21 and name HB3 ))
2.700 0.900 0.900 peak 710 weight 0.10000E+01 volume 0.28644E-02 ppm1 7.209 ppm2 3.915 CV 1
ASSI { 711}
(( segid "PAH2" and resid 21 and name HN ))
(( segid "PAH2" and resid 20 and name HA ))
2.900 1.000 1.000 peak 711 weight 0.10000E+01 volume 0.17134E-02 ppm1 7.209 ppm2 3.764 CV 1
ASSI { 712}
(( segid "PAH2" and resid 21 and name HN ))
(( segid "PAH2" and resid 20 and name HD2 ))
3.000 1.100 1.100 peak 712 weight 0.10000E+01 volume 0.14232E-02 ppm1 7.209 ppm2 3.074 CV 1
OR { 712}
(( segid "PAH2" and resid 21 and name HN ))
(( segid "PAH2" and resid 20 and name HD3 ))
ASSI { 713}
(( segid "PAH2" and resid 21 and name HN ))
(( segid "PAH2" and resid 21 and name HB2 ))
2.700 0.900 0.900 peak 713 weight 0.10000E+01 volume 0.28761E-02 ppm1 7.209 ppm2 2.409 CV 1
ASSI { 715}
(( segid "PAH2" and resid 21 and name HN ))
(( segid "PAH2" and resid 20 and name HB2 ))
2.900 1.000 1.000 peak 715 weight 0.10000E+01 volume 0.17297E-02 ppm1 7.209 ppm2 1.581 CV 1
ASSI { 716}
(( segid "PAH2" and resid 21 and name HN ))
(( segid "PAH2" and resid 20 and name HB3 ))
2.800 1.000 1.000 peak 716 weight 0.10000E+01 volume 0.22283E-02 ppm1 7.208 ppm2 1.075 CV 1
ASSI { 717}
(( segid "PAH2" and resid 21 and name HN ))
(( segid "PAH2" and resid 20 and name HG3 ))
3.700 1.700 1.700 peak 717 weight 0.10000E+01 volume 0.37943E-03 ppm1 7.207 ppm2 0.844 CV 1
ASSI { 718}
(( segid "PAH2" and resid 21 and name HN ))
(( segid "PAH2" and resid 20 and name HG2 ))
3.900 1.900 1.900 peak 718 weight 0.10000E+01 volume 0.27484E-03 ppm1 7.206 ppm2 0.442 CV 1
ASSI { 719}
(( segid "PAH2" and resid 22 and name HN ))
(( segid "PAH2" and resid 21 and name HA ))
2.800 1.000 1.000 peak 719 weight 0.10000E+01 volume 0.19416E-02 ppm1 7.225 ppm2 4.964 CV 1
ASSI { 721}
(( segid "PAH2" and resid 22 and name HN ))
(( segid "PAH2" and resid 21 and name HB2 ))
4.300 2.300 1.700 peak 721 weight 0.10000E+01 volume 0.15300E-03 ppm1 7.224 ppm2 2.422 CV 1
ASSI { 723}
(( segid "PAH2" and resid 22 and name HN ))
(( segid "PAH2" and resid 22 and name HB2 ))
2.200 0.600 0.600 peak 723 weight 0.10000E+01 volume 0.99602E-02 ppm1 7.224 ppm2 1.795 CV 1
ASSI { 726}
(( segid "PAH2" and resid 22 and name HN ))
( segid "PAH2" and resid 22 and name HD2%)
2.800 1.000 1.000 peak 726 weight 0.10000E+01 volume 0.19514E-02 ppm1 7.224 ppm2 0.866 CV 1
OR { 726}
(( segid "PAH2" and resid 22 and name HN ))
( segid "PAH2" and resid 22 and name HD1%)
ASSI { 728}
(( segid "PAH2" and resid 23 and name HN ))
(( segid "PAH2" and resid 21 and name HA ))
3.300 1.400 1.400 peak 728 weight 0.10000E+01 volume 0.78417E-03 ppm1 8.666 ppm2 4.981 CV 1
ASSI { 729}
(( segid "PAH2" and resid 23 and name HN ))
(( segid "PAH2" and resid 22 and name HA ))
3.000 1.100 1.100 peak 729 weight 0.10000E+01 volume 0.14575E-02 ppm1 8.666 ppm2 3.990 CV 1
ASSI { 730}
(( segid "PAH2" and resid 23 and name HN ))
(( segid "PAH2" and resid 25 and name HD2 ))
3.900 1.900 1.900 peak 730 weight 0.10000E+01 volume 0.28871E-03 ppm1 8.666 ppm2 3.714 CV 1
ASSI { 732}
(( segid "PAH2" and resid 23 and name HN ))
(( segid "PAH2" and resid 23 and name HB2 ))
2.300 0.700 0.700 peak 732 weight 0.10000E+01 volume 0.68491E-02 ppm1 8.666 ppm2 2.522 CV 1
OR { 732}
(( segid "PAH2" and resid 23 and name HN ))
(( segid "PAH2" and resid 23 and name HB3 ))
ASSI { 733}
(( segid "PAH2" and resid 23 and name HN ))
(( segid "PAH2" and resid 22 and name HB2 ))
2.900 1.000 1.000 peak 733 weight 0.10000E+01 volume 0.18492E-02 ppm1 8.666 ppm2 1.795 CV 1
ASSI { 734}
(( segid "PAH2" and resid 23 and name HN ))
(( segid "PAH2" and resid 22 and name HB3 ))
2.700 0.900 0.900 peak 734 weight 0.10000E+01 volume 0.24059E-02 ppm1 8.666 ppm2 1.556 CV 1
ASSI { 735}
(( segid "PAH2" and resid 23 and name HN ))
( segid "PAH2" and resid 22 and name HD2%)
3.600 1.700 1.700 peak 735 weight 0.10000E+01 volume 0.43556E-03 ppm1 8.666 ppm2 0.866 CV 1
OR { 735}
(( segid "PAH2" and resid 23 and name HN ))
( segid "PAH2" and resid 22 and name HD1%)
ASSI { 736}
(( segid "PAH2" and resid 24 and name HN ))
(( segid "PAH2" and resid 21 and name HA ))
3.200 1.300 1.300 peak 736 weight 0.10000E+01 volume 0.93043E-03 ppm1 7.686 ppm2 4.966 CV 1
ASSI { 737}
(( segid "PAH2" and resid 24 and name HN ))
(( segid "PAH2" and resid 23 and name HA ))
2.900 1.000 1.000 peak 737 weight 0.10000E+01 volume 0.18620E-02 ppm1 7.686 ppm2 4.517 CV 1
ASSI { 738}
(( segid "PAH2" and resid 24 and name HN ))
(( segid "PAH2" and resid 21 and name HB3 ))
2.900 1.000 1.000 peak 738 weight 0.10000E+01 volume 0.18702E-02 ppm1 7.686 ppm2 3.952 CV 1
ASSI { 739}
(( segid "PAH2" and resid 24 and name HN ))
(( segid "PAH2" and resid 25 and name HD2 ))
3.000 1.200 1.200 peak 739 weight 0.10000E+01 volume 0.12577E-02 ppm1 7.686 ppm2 3.701 CV 1
ASSI { 740}
(( segid "PAH2" and resid 24 and name HN ))
(( segid "PAH2" and resid 24 and name HB2 ))
2.600 0.800 0.800 peak 740 weight 0.10000E+01 volume 0.33822E-02 ppm1 7.686 ppm2 3.463 CV 1
ASSI { 741}
(( segid "PAH2" and resid 24 and name HN ))
(( segid "PAH2" and resid 24 and name HB3 ))
2.700 0.900 0.900 peak 741 weight 0.10000E+01 volume 0.24941E-02 ppm1 7.686 ppm2 2.961 CV 1
ASSI { 742}
(( segid "PAH2" and resid 24 and name HN ))
(( segid "PAH2" and resid 23 and name HB3 ))
2.800 1.000 1.000 peak 742 weight 0.10000E+01 volume 0.18748E-02 ppm1 7.686 ppm2 2.510 CV 1
OR { 742}
(( segid "PAH2" and resid 24 and name HN ))
(( segid "PAH2" and resid 23 and name HB2 ))
ASSI { 743}
(( segid "PAH2" and resid 26 and name HN ))
(( segid "PAH2" and resid 25 and name HA ))
3.500 1.500 1.500 peak 743 weight 0.10000E+01 volume 0.55948E-03 ppm1 10.319 ppm2 4.429 CV 1
ASSI { 744}
(( segid "PAH2" and resid 26 and name HN ))
(( segid "PAH2" and resid 24 and name HA ))
3.100 1.200 1.200 peak 744 weight 0.10000E+01 volume 0.11980E-02 ppm1 10.319 ppm2 5.157 CV 1
ASSI { 745}
(( segid "PAH2" and resid 26 and name HN ))
(( segid "PAH2" and resid 25 and name HD2 ))
2.900 1.000 1.000 peak 745 weight 0.10000E+01 volume 0.17947E-02 ppm1 10.319 ppm2 3.676 CV 1
ASSI { 746}
(( segid "PAH2" and resid 26 and name HN ))
(( segid "PAH2" and resid 25 and name HD3 ))
3.200 1.200 1.200 peak 746 weight 0.10000E+01 volume 0.10268E-02 ppm1 10.319 ppm2 3.476 CV 1
ASSI { 750}
(( segid "PAH2" and resid 26 and name HN ))
(( segid "PAH2" and resid 26 and name HG2 ))
2.900 1.000 1.000 peak 750 weight 0.10000E+01 volume 0.17221E-02 ppm1 10.319 ppm2 2.510 CV 1
ASSI { 751}
(( segid "PAH2" and resid 26 and name HN ))
(( segid "PAH2" and resid 26 and name HG3 ))
2.900 1.000 1.000 peak 751 weight 0.10000E+01 volume 0.17506E-02 ppm1 10.319 ppm2 2.322 CV 1
ASSI { 753}
(( segid "PAH2" and resid 26 and name HN ))
(( segid "PAH2" and resid 27 and name HG12))
3.400 1.400 1.400 peak 753 weight 0.10000E+01 volume 0.68027E-03 ppm1 10.319 ppm2 1.494 CV 1
OR { 753}
(( segid "PAH2" and resid 26 and name HN ))
(( segid "PAH2" and resid 27 and name HB ))
ASSI { 755}
(( segid "PAH2" and resid 27 and name HN ))
(( segid "PAH2" and resid 26 and name HA ))
3.200 1.300 1.300 peak 755 weight 0.10000E+01 volume 0.99893E-03 ppm1 8.200 ppm2 4.170 CV 1
ASSI { 756}
(( segid "PAH2" and resid 27 and name HN ))
(( segid "PAH2" and resid 24 and name HB2 ))
4.100 2.100 1.900 peak 756 weight 0.10000E+01 volume 0.22625E-03 ppm1 8.200 ppm2 3.422 CV 1
ASSI { 757}
(( segid "PAH2" and resid 27 and name HN ))
(( segid "PAH2" and resid 24 and name HB3 ))
4.500 2.500 1.500 peak 757 weight 0.10000E+01 volume 0.11922E-03 ppm1 8.199 ppm2 2.973 CV 1
ASSI { 758}
(( segid "PAH2" and resid 27 and name HN ))
(( segid "PAH2" and resid 26 and name HG2 ))
4.000 2.000 2.000 peak 758 weight 0.10000E+01 volume 0.26305E-03 ppm1 8.200 ppm2 2.497 CV 1
ASSI { 759}
(( segid "PAH2" and resid 27 and name HN ))
(( segid "PAH2" and resid 26 and name HG3 ))
3.000 1.200 1.200 peak 759 weight 0.10000E+01 volume 0.12515E-02 ppm1 8.200 ppm2 2.300 CV 1
ASSI { 760}
(( segid "PAH2" and resid 27 and name HN ))
(( segid "PAH2" and resid 27 and name HB ))
2.300 0.700 0.700 peak 760 weight 0.10000E+01 volume 0.69768E-02 ppm1 8.201 ppm2 1.484 CV 1
ASSI { 761}
(( segid "PAH2" and resid 27 and name HN ))
(( segid "PAH2" and resid 27 and name HG13))
2.900 1.000 1.000 peak 761 weight 0.10000E+01 volume 0.17547E-02 ppm1 8.200 ppm2 1.117 CV 1
ASSI { 763}
(( segid "PAH2" and resid 27 and name HN ))
( segid "PAH2" and resid 27 and name HG2%)
3.100 1.200 1.200 peak 763 weight 0.10000E+01 volume 0.11910E-02 ppm1 8.198 ppm2 -0.053 CV 1
ASSI { 766}
(( segid "PAH2" and resid 28 and name HN ))
(( segid "PAH2" and resid 28 and name HB2 ))
2.600 0.800 0.800 peak 766 weight 0.10000E+01 volume 0.33056E-02 ppm1 6.700 ppm2 3.239 CV 1
ASSI { 767}
(( segid "PAH2" and resid 28 and name HN ))
(( segid "PAH2" and resid 28 and name HB3 ))
2.600 0.800 0.800 peak 767 weight 0.10000E+01 volume 0.33804E-02 ppm1 6.700 ppm2 3.124 CV 1
ASSI { 768}
(( segid "PAH2" and resid 28 and name HN ))
(( segid "PAH2" and resid 27 and name HB ))
2.800 1.000 1.000 peak 768 weight 0.10000E+01 volume 0.20391E-02 ppm1 6.700 ppm2 1.494 CV 1
ASSI { 770}
(( segid "PAH2" and resid 28 and name HN ))
( segid "PAH2" and resid 27 and name HG2%)
3.600 1.600 1.600 peak 770 weight 0.10000E+01 volume 0.47590E-03 ppm1 6.700 ppm2 -0.046 CV 1
ASSI { 771}
(( segid "PAH2" and resid 28 and name HN ))
( segid "PAH2" and resid 28 and name HD% )
3.300 1.300 1.300 peak 771 weight 0.10000E+01 volume 0.81319E-03 ppm1 6.700 ppm2 7.013 CV 1
ASSI { 773}
(( segid "PAH2" and resid 29 and name HN ))
(( segid "PAH2" and resid 28 and name HA ))
2.800 1.000 1.000 peak 773 weight 0.10000E+01 volume 0.20815E-02 ppm1 8.292 ppm2 4.166 CV 1
ASSI { 774}
(( segid "PAH2" and resid 29 and name HN ))
(( segid "PAH2" and resid 28 and name HB2 ))
2.500 0.800 0.800 peak 774 weight 0.10000E+01 volume 0.42058E-02 ppm1 8.293 ppm2 3.177 CV 1
ASSI { 775}
(( segid "PAH2" and resid 29 and name HN ))
(( segid "PAH2" and resid 29 and name HB2 ))
2.200 0.600 0.600 peak 775 weight 0.10000E+01 volume 0.94611E-02 ppm1 8.292 ppm2 1.883 CV 1
ASSI { 776}
(( segid "PAH2" and resid 29 and name HN ))
(( segid "PAH2" and resid 29 and name HG2 ))
2.900 1.100 1.100 peak 776 weight 0.10000E+01 volume 0.15991E-02 ppm1 8.292 ppm2 1.644 CV 1
ASSI { 778}
(( segid "PAH2" and resid 30 and name HN ))
(( segid "PAH2" and resid 30 and name HB2 ))
2.600 0.800 0.800 peak 778 weight 0.10000E+01 volume 0.35644E-02 ppm1 8.271 ppm2 3.839 CV 1
OR { 778}
(( segid "PAH2" and resid 30 and name HN ))
(( segid "PAH2" and resid 30 and name HB3 ))
ASSI { 779}
(( segid "PAH2" and resid 30 and name HN ))
(( segid "PAH2" and resid 27 and name HA ))
2.900 1.100 1.100 peak 779 weight 0.10000E+01 volume 0.15625E-02 ppm1 8.271 ppm2 3.676 CV 1
ASSI { 780}
(( segid "PAH2" and resid 30 and name HN ))
(( segid "PAH2" and resid 29 and name HB2 ))
2.400 0.700 0.700 peak 780 weight 0.10000E+01 volume 0.46580E-02 ppm1 8.271 ppm2 1.883 CV 1
ASSI { 781}
(( segid "PAH2" and resid 30 and name HN ))
( segid "PAH2" and resid 65 and name HD1%)
3.100 1.200 1.200 peak 781 weight 0.10000E+01 volume 0.10779E-02 ppm1 8.271 ppm2 0.754 CV 1
OR { 781}
(( segid "PAH2" and resid 30 and name HN ))
( segid "PAH2" and resid 65 and name HD2%)
ASSI { 783}
(( segid "PAH2" and resid 31 and name HN ))
(( segid "PAH2" and resid 31 and name HB3 ))
2.500 0.800 0.800 peak 783 weight 0.10000E+01 volume 0.42685E-02 ppm1 8.096 ppm2 3.476 CV 1
ASSI { 784}
(( segid "PAH2" and resid 31 and name HN ))
(( segid "PAH2" and resid 31 and name HB2 ))
2.500 0.800 0.800 peak 784 weight 0.10000E+01 volume 0.38744E-02 ppm1 8.096 ppm2 2.999 CV 1
ASSI { 785}
(( segid "PAH2" and resid 31 and name HN ))
( segid "PAH2" and resid 65 and name HD1%)
2.600 0.800 0.800 peak 785 weight 0.10000E+01 volume 0.33671E-02 ppm1 8.096 ppm2 0.754 CV 1
ASSI { 787}
(( segid "PAH2" and resid 32 and name HN ))
(( segid "PAH2" and resid 31 and name HB2 ))
3.300 1.400 1.400 peak 787 weight 0.10000E+01 volume 0.77836E-03 ppm1 7.634 ppm2 2.986 CV 1
ASSI { 788}
(( segid "PAH2" and resid 32 and name HN ))
(( segid "PAH2" and resid 32 and name HB2 ))
2.600 0.900 0.900 peak 788 weight 0.10000E+01 volume 0.31802E-02 ppm1 7.634 ppm2 1.732 CV 1
ASSI { 789}
(( segid "PAH2" and resid 32 and name HN ))
(( segid "PAH2" and resid 32 and name HG ))
2.500 0.800 0.800 peak 789 weight 0.10000E+01 volume 0.45181E-02 ppm1 7.634 ppm2 1.368 CV 1
ASSI { 790}
(( segid "PAH2" and resid 32 and name HN ))
(( segid "PAH2" and resid 32 and name HB3 ))
2.900 1.100 1.100 peak 790 weight 0.10000E+01 volume 0.16397E-02 ppm1 7.634 ppm2 1.105 CV 1
ASSI { 791}
(( segid "PAH2" and resid 32 and name HN ))
( segid "PAH2" and resid 32 and name HD2%)
2.500 0.800 0.800 peak 791 weight 0.10000E+01 volume 0.38274E-02 ppm1 7.634 ppm2 0.578 CV 1
OR { 791}
(( segid "PAH2" and resid 32 and name HN ))
( segid "PAH2" and resid 32 and name HD1%)
ASSI { 792}
(( segid "PAH2" and resid 32 and name HN ))
( segid "PAH2" and resid 31 and name HD% )
3.000 1.100 1.100 peak 792 weight 0.10000E+01 volume 0.13432E-02 ppm1 7.634 ppm2 6.800 CV 1
ASSI { 795}
(( segid "PAH2" and resid 33 and name HN ))
(( segid "PAH2" and resid 29 and name HA ))
3.700 1.700 1.700 peak 795 weight 0.10000E+01 volume 0.39156E-03 ppm1 8.054 ppm2 3.701 CV 1
ASSI { 796}
(( segid "PAH2" and resid 33 and name HN ))
(( segid "PAH2" and resid 32 and name HA ))
3.200 1.300 1.300 peak 796 weight 0.10000E+01 volume 0.96875E-03 ppm1 8.054 ppm2 3.438 CV 1
ASSI { 799}
(( segid "PAH2" and resid 33 and name HN ))
(( segid "PAH2" and resid 32 and name HB2 ))
2.600 0.800 0.800 peak 799 weight 0.10000E+01 volume 0.32220E-02 ppm1 8.054 ppm2 1.745 CV 1
ASSI { 800}
(( segid "PAH2" and resid 33 and name HN ))
(( segid "PAH2" and resid 32 and name HG ))
3.400 1.500 1.500 peak 800 weight 0.10000E+01 volume 0.62802E-03 ppm1 8.054 ppm2 1.355 CV 1
ASSI { 801}
(( segid "PAH2" and resid 33 and name HN ))
(( segid "PAH2" and resid 32 and name HB3 ))
3.000 1.200 1.200 peak 801 weight 0.10000E+01 volume 0.12515E-02 ppm1 8.052 ppm2 1.103 CV 1
ASSI { 802}
(( segid "PAH2" and resid 33 and name HN ))
( segid "PAH2" and resid 32 and name HD1%)
3.000 1.200 1.200 peak 802 weight 0.10000E+01 volume 0.12538E-02 ppm1 8.054 ppm2 0.580 CV 1
OR { 802}
(( segid "PAH2" and resid 33 and name HN ))
( segid "PAH2" and resid 32 and name HD2%)
ASSI { 804}
(( segid "PAH2" and resid 34 and name HN ))
(( segid "PAH2" and resid 33 and name HA ))
3.100 1.200 1.200 peak 804 weight 0.10000E+01 volume 0.11109E-02 ppm1 7.999 ppm2 4.103 CV 1
ASSI { 806}
(( segid "PAH2" and resid 34 and name HN ))
(( segid "PAH2" and resid 34 and name HB ))
2.100 0.600 0.600 peak 806 weight 0.10000E+01 volume 0.10570E-01 ppm1 7.998 ppm2 1.749 CV 1
OR { 806}
(( segid "PAH2" and resid 34 and name HN ))
(( segid "PAH2" and resid 34 and name HG12))
ASSI { 808}
(( segid "PAH2" and resid 34 and name HN ))
( segid "PAH2" and resid 34 and name HD1%)
2.500 0.800 0.800 peak 808 weight 0.10000E+01 volume 0.43654E-02 ppm1 7.998 ppm2 0.709 CV 1
OR { 808}
(( segid "PAH2" and resid 34 and name HN ))
( segid "PAH2" and resid 34 and name HG2%)
ASSI { 810}
(( segid "PAH2" and resid 35 and name HN ))
(( segid "PAH2" and resid 32 and name HA ))
3.300 1.400 1.400 peak 810 weight 0.10000E+01 volume 0.73889E-03 ppm1 7.326 ppm2 3.413 CV 1
ASSI { 812}
(( segid "PAH2" and resid 35 and name HN ))
(( segid "PAH2" and resid 35 and name HG ))
2.500 0.800 0.800 peak 812 weight 0.10000E+01 volume 0.40451E-02 ppm1 7.326 ppm2 1.331 CV 1
ASSI { 813}
(( segid "PAH2" and resid 35 and name HN ))
(( segid "PAH2" and resid 35 and name HB3 ))
2.800 1.000 1.000 peak 813 weight 0.10000E+01 volume 0.19450E-02 ppm1 7.326 ppm2 1.090 CV 1
ASSI { 817}
(( segid "PAH2" and resid 36 and name HN ))
(( segid "PAH2" and resid 35 and name HA ))
3.400 1.400 1.400 peak 817 weight 0.10000E+01 volume 0.68143E-03 ppm1 8.722 ppm2 3.803 CV 1
ASSI { 818}
(( segid "PAH2" and resid 36 and name HN ))
(( segid "PAH2" and resid 36 and name HB2 ))
2.200 0.600 0.600 peak 818 weight 0.10000E+01 volume 0.78301E-02 ppm1 8.722 ppm2 3.225 CV 1
ASSI { 819}
(( segid "PAH2" and resid 36 and name HN ))
(( segid "PAH2" and resid 35 and name HB2 ))
2.900 1.000 1.000 peak 819 weight 0.10000E+01 volume 0.17668E-02 ppm1 8.722 ppm2 1.688 CV 1
ASSI { 820}
(( segid "PAH2" and resid 36 and name HN ))
(( segid "PAH2" and resid 35 and name HG ))
3.800 1.800 1.800 peak 820 weight 0.10000E+01 volume 0.33085E-03 ppm1 8.722 ppm2 1.331 CV 1
ASSI { 821}
(( segid "PAH2" and resid 36 and name HN ))
(( segid "PAH2" and resid 35 and name HB3 ))
3.200 1.300 1.300 peak 821 weight 0.10000E+01 volume 0.98152E-03 ppm1 8.722 ppm2 1.130 CV 1
ASSI { 822}
(( segid "PAH2" and resid 36 and name HN ))
( segid "MAD1" and resid 206 and name HD1%)
3.000 1.100 1.100 peak 822 weight 0.10000E+01 volume 0.13826E-02 ppm1 8.722 ppm2 0.528 CV 1
ASSI { 823}
(( segid "PAH2" and resid 37 and name HN ))
(( segid "PAH2" and resid 34 and name HA ))
3.500 1.500 1.500 peak 823 weight 0.10000E+01 volume 0.56046E-03 ppm1 8.553 ppm2 3.668 CV 1
ASSI { 824}
(( segid "PAH2" and resid 37 and name HN ))
(( segid "PAH2" and resid 36 and name HB2 ))
2.600 0.800 0.800 peak 824 weight 0.10000E+01 volume 0.35569E-02 ppm1 8.553 ppm2 3.194 CV 1
OR { 824}
(( segid "PAH2" and resid 37 and name HN ))
(( segid "PAH2" and resid 36 and name HB3 ))
ASSI { 826}
(( segid "PAH2" and resid 37 and name HN ))
(( segid "PAH2" and resid 33 and name HA ))
3.400 1.400 1.400 peak 826 weight 0.10000E+01 volume 0.65821E-03 ppm1 8.553 ppm2 4.093 CV 1
ASSI { 827}
(( segid "PAH2" and resid 37 and name HN ))
(( segid "PAH2" and resid 37 and name HB ))
2.400 0.700 0.700 peak 827 weight 0.10000E+01 volume 0.52889E-02 ppm1 8.553 ppm2 4.405 CV 1
ASSI { 830}
(( segid "PAH2" and resid 38 and name HN ))
(( segid "PAH2" and resid 38 and name HB3 ))
2.200 0.600 0.600 peak 830 weight 0.10000E+01 volume 0.89213E-02 ppm1 8.185 ppm2 3.131 CV 1
OR { 830}
(( segid "PAH2" and resid 38 and name HN ))
(( segid "PAH2" and resid 38 and name HB2 ))
ASSI { 831}
(( segid "PAH2" and resid 38 and name HN ))
( segid "PAH2" and resid 38 and name HD% )
3.000 1.100 1.100 peak 831 weight 0.10000E+01 volume 0.13013E-02 ppm1 8.185 ppm2 6.925 CV 1
ASSI { 834}
(( segid "PAH2" and resid 39 and name HN ))
(( segid "PAH2" and resid 38 and name HA ))
3.100 1.200 1.200 peak 834 weight 0.10000E+01 volume 0.10314E-02 ppm1 8.344 ppm2 4.130 CV 1
ASSI { 835}
(( segid "PAH2" and resid 39 and name HN ))
(( segid "PAH2" and resid 38 and name HB2 ))
2.700 0.900 0.900 peak 835 weight 0.10000E+01 volume 0.28250E-02 ppm1 8.344 ppm2 3.144 CV 1
ASSI { 836}
(( segid "PAH2" and resid 39 and name HN ))
(( segid "PAH2" and resid 39 and name HG2 ))
2.900 1.100 1.100 peak 836 weight 0.10000E+01 volume 0.15335E-02 ppm1 8.344 ppm2 2.342 CV 1
OR { 836}
(( segid "PAH2" and resid 39 and name HN ))
(( segid "PAH2" and resid 39 and name HG3 ))
ASSI { 837}
(( segid "PAH2" and resid 39 and name HN ))
(( segid "PAH2" and resid 39 and name HB3 ))
2.300 0.700 0.700 peak 837 weight 0.10000E+01 volume 0.61584E-02 ppm1 8.344 ppm2 2.111 CV 1
ASSI { 843}
(( segid "PAH2" and resid 40 and name HN ))
(( segid "PAH2" and resid 36 and name HA ))
3.800 1.800 1.800 peak 843 weight 0.10000E+01 volume 0.34850E-03 ppm1 8.150 ppm2 4.193 CV 1
ASSI { 845}
(( segid "PAH2" and resid 40 and name HN ))
(( segid "PAH2" and resid 39 and name HG2 ))
3.500 1.500 1.500 peak 845 weight 0.10000E+01 volume 0.58740E-03 ppm1 8.150 ppm2 2.332 CV 1
OR { 845}
(( segid "PAH2" and resid 40 and name HN ))
(( segid "PAH2" and resid 39 and name HG3 ))
ASSI { 846}
(( segid "PAH2" and resid 40 and name HN ))
(( segid "PAH2" and resid 39 and name HB3 ))
2.600 0.800 0.800 peak 846 weight 0.10000E+01 volume 0.33671E-02 ppm1 8.150 ppm2 2.107 CV 1
OR { 846}
(( segid "PAH2" and resid 40 and name HN ))
(( segid "PAH2" and resid 39 and name HB2 ))
ASSI { 847}
(( segid "PAH2" and resid 40 and name HN ))
(( segid "PAH2" and resid 40 and name HB2 ))
2.100 0.600 0.600 peak 847 weight 0.10000E+01 volume 0.10744E-01 ppm1 8.150 ppm2 1.894 CV 1
ASSI { 848}
(( segid "PAH2" and resid 40 and name HN ))
(( segid "PAH2" and resid 40 and name HG3 ))
2.800 1.000 1.000 peak 848 weight 0.10000E+01 volume 0.20200E-02 ppm1 8.150 ppm2 1.479 CV 1
ASSI { 849}
(( segid "PAH2" and resid 41 and name HN ))
(( segid "PAH2" and resid 40 and name HA ))
2.800 1.000 1.000 peak 849 weight 0.10000E+01 volume 0.22207E-02 ppm1 7.873 ppm2 3.993 CV 1
ASSI { 852}
(( segid "PAH2" and resid 41 and name HN ))
(( segid "PAH2" and resid 40 and name HB2 ))
2.200 0.600 0.600 peak 852 weight 0.10000E+01 volume 0.93160E-02 ppm1 7.873 ppm2 1.907 CV 1
ASSI { 853}
(( segid "PAH2" and resid 41 and name HN ))
(( segid "PAH2" and resid 40 and name HG3 ))
4.100 2.100 1.900 peak 853 weight 0.10000E+01 volume 0.20385E-03 ppm1 7.873 ppm2 1.482 CV 1
OR { 853}
(( segid "PAH2" and resid 41 and name HN ))
(( segid "PAH2" and resid 40 and name HG2 ))
ASSI { 854}
(( segid "PAH2" and resid 42 and name HN ))
(( segid "PAH2" and resid 41 and name HA ))
2.900 1.100 1.100 peak 854 weight 0.10000E+01 volume 0.16166E-02 ppm1 7.658 ppm2 4.168 CV 1
ASSI { 855}
(( segid "PAH2" and resid 42 and name HN ))
(( segid "PAH2" and resid 39 and name HA ))
3.300 1.400 1.400 peak 855 weight 0.10000E+01 volume 0.75920E-03 ppm1 7.658 ppm2 3.906 CV 1
ASSI { 857}
(( segid "PAH2" and resid 42 and name HN ))
(( segid "PAH2" and resid 42 and name HB2 ))
2.500 0.800 0.800 peak 857 weight 0.10000E+01 volume 0.44078E-02 ppm1 7.656 ppm2 1.873 CV 1
ASSI { 858}
(( segid "PAH2" and resid 42 and name HN ))
(( segid "PAH2" and resid 42 and name HB3 ))
2.200 0.600 0.600 peak 858 weight 0.10000E+01 volume 0.83002E-02 ppm1 7.655 ppm2 2.057 CV 1
ASSI { 862}
(( segid "PAH2" and resid 43 and name HN ))
(( segid "PAH2" and resid 42 and name HA ))
2.700 0.900 0.900 peak 862 weight 0.10000E+01 volume 0.28986E-02 ppm1 7.517 ppm2 4.056 CV 1
ASSI { 863}
(( segid "PAH2" and resid 43 and name HN ))
(( segid "PAH2" and resid 42 and name HB3 ))
2.900 1.000 1.000 peak 863 weight 0.10000E+01 volume 0.17523E-02 ppm1 7.517 ppm2 2.057 CV 1
ASSI { 864}
(( segid "PAH2" and resid 43 and name HN ))
(( segid "PAH2" and resid 42 and name HB2 ))
3.000 1.200 1.200 peak 864 weight 0.10000E+01 volume 0.12526E-02 ppm1 7.517 ppm2 1.869 CV 1
ASSI { 865}
(( segid "PAH2" and resid 43 and name HN ))
(( segid "PAH2" and resid 43 and name HG ))
2.200 0.600 0.600 peak 865 weight 0.10000E+01 volume 0.92173E-02 ppm1 7.517 ppm2 1.632 CV 1
ASSI { 867}
(( segid "PAH2" and resid 43 and name HN ))
( segid "PAH2" and resid 43 and name HD2%)
3.000 1.100 1.100 peak 867 weight 0.10000E+01 volume 0.13641E-02 ppm1 7.517 ppm2 0.845 CV 1
OR { 867}
(( segid "PAH2" and resid 43 and name HN ))
( segid "PAH2" and resid 43 and name HD1%)
ASSI { 868}
(( segid "PAH2" and resid 44 and name HN ))
(( segid "PAH2" and resid 43 and name HA ))
2.800 1.000 1.000 peak 868 weight 0.10000E+01 volume 0.19154E-02 ppm1 8.239 ppm2 4.218 CV 1
ASSI { 869}
(( segid "PAH2" and resid 44 and name HN ))
(( segid "PAH2" and resid 44 and name HB2 ))
3.000 1.100 1.100 peak 869 weight 0.10000E+01 volume 0.15166E-02 ppm1 8.239 ppm2 3.094 CV 1
OR { 869}
(( segid "PAH2" and resid 44 and name HN ))
(( segid "PAH2" and resid 44 and name HB3 ))
ASSI { 870}
(( segid "PAH2" and resid 45 and name HN ))
( segid "PAH2" and resid 45 and name HG2%)
3.900 1.900 1.900 peak 870 weight 0.10000E+01 volume 0.26805E-03 ppm1 8.011 ppm2 1.145 CV 1
ASSI { 871}
(( segid "PAH2" and resid 45 and name HN ))
(( segid "PAH2" and resid 44 and name HA ))
3.000 1.100 1.100 peak 871 weight 0.10000E+01 volume 0.13577E-02 ppm1 8.011 ppm2 4.655 CV 1
ASSI { 873}
(( segid "PAH2" and resid 46 and name HN ))
(( segid "PAH2" and resid 46 and name HB2 ))
2.500 0.800 0.800 peak 873 weight 0.10000E+01 volume 0.45883E-02 ppm1 8.382 ppm2 1.794 CV 1
ASSI { 874}
(( segid "PAH2" and resid 46 and name HN ))
(( segid "PAH2" and resid 46 and name HG2 ))
3.600 1.700 1.700 peak 874 weight 0.10000E+01 volume 0.43028E-03 ppm1 8.382 ppm2 1.420 CV 1
OR { 874}
(( segid "PAH2" and resid 46 and name HN ))
(( segid "PAH2" and resid 46 and name HG3 ))
ASSI { 875}
(( segid "PAH2" and resid 46 and name HN ))
( segid "PAH2" and resid 45 and name HG2%)
3.900 1.900 1.900 peak 875 weight 0.10000E+01 volume 0.30658E-03 ppm1 8.382 ppm2 1.145 CV 1
ASSI { 877}
(( segid "PAH2" and resid 46 and name HN ))
(( segid "PAH2" and resid 46 and name HA ))
2.800 0.900 0.900 peak 877 weight 0.10000E+01 volume 0.23020E-02 ppm1 8.382 ppm2 4.130 CV 1
ASSI { 878}
(( segid "PAH2" and resid 47 and name HN ))
(( segid "PAH2" and resid 47 and name HA1 ))
3.200 1.200 1.200 peak 878 weight 0.10000E+01 volume 0.10134E-02 ppm1 8.691 ppm2 3.781 CV 1
ASSI { 879}
(( segid "PAH2" and resid 47 and name HN ))
(( segid "PAH2" and resid 46 and name HB2 ))
4.100 2.100 1.900 peak 879 weight 0.10000E+01 volume 0.22213E-03 ppm1 8.691 ppm2 1.782 CV 1
OR { 879}
(( segid "PAH2" and resid 47 and name HN ))
(( segid "PAH2" and resid 46 and name HB3 ))
ASSI { 880}
(( segid "PAH2" and resid 48 and name HN ))
(( segid "PAH2" and resid 47 and name HA2 ))
2.500 0.800 0.800 peak 880 weight 0.10000E+01 volume 0.41977E-02 ppm1 7.861 ppm2 4.059 CV 1
ASSI { 881}
(( segid "PAH2" and resid 48 and name HN ))
(( segid "PAH2" and resid 47 and name HA1 ))
2.600 0.900 0.900 peak 881 weight 0.10000E+01 volume 0.31210E-02 ppm1 7.861 ppm2 3.772 CV 1
ASSI { 882}
(( segid "PAH2" and resid 48 and name HN ))
(( segid "PAH2" and resid 49 and name HD3 ))
3.900 1.900 1.900 peak 882 weight 0.10000E+01 volume 0.26734E-03 ppm1 7.862 ppm2 3.552 CV 1
ASSI { 883}
(( segid "PAH2" and resid 48 and name HN ))
(( segid "PAH2" and resid 48 and name HD2 ))
3.900 1.900 1.900 peak 883 weight 0.10000E+01 volume 0.27599E-03 ppm1 7.863 ppm2 3.108 CV 1
OR { 883}
(( segid "PAH2" and resid 48 and name HN ))
(( segid "PAH2" and resid 48 and name HD3 ))
ASSI { 884}
(( segid "PAH2" and resid 48 and name HN ))
(( segid "PAH2" and resid 48 and name HB2 ))
2.500 0.800 0.800 peak 884 weight 0.10000E+01 volume 0.37345E-02 ppm1 7.860 ppm2 1.791 CV 1
ASSI { 885}
(( segid "PAH2" and resid 48 and name HN ))
(( segid "PAH2" and resid 48 and name HG3 ))
2.300 0.600 0.600 peak 885 weight 0.10000E+01 volume 0.77023E-02 ppm1 7.861 ppm2 1.633 CV 1
ASSI { 886}
(( segid "PAH2" and resid 50 and name HN ))
(( segid "PAH2" and resid 49 and name HA ))
2.200 0.600 0.600 peak 886 weight 0.10000E+01 volume 0.82305E-02 ppm1 8.176 ppm2 4.382 CV 1
ASSI { 887}
(( segid "PAH2" and resid 50 and name HN ))
(( segid "PAH2" and resid 50 and name HB3 ))
2.400 0.700 0.700 peak 887 weight 0.10000E+01 volume 0.56110E-02 ppm1 8.177 ppm2 3.001 CV 1
OR { 887}
(( segid "PAH2" and resid 50 and name HN ))
(( segid "PAH2" and resid 50 and name HB2 ))
ASSI { 888}
(( segid "PAH2" and resid 50 and name HN ))
(( segid "PAH2" and resid 49 and name HB3 ))
3.300 1.300 1.300 peak 888 weight 0.10000E+01 volume 0.85091E-03 ppm1 8.177 ppm2 2.155 CV 1
ASSI { 889}
(( segid "PAH2" and resid 50 and name HN ))
(( segid "PAH2" and resid 49 and name HG2 ))
4.200 2.200 1.800 peak 889 weight 0.10000E+01 volume 0.18673E-03 ppm1 8.177 ppm2 1.944 CV 1
OR { 889}
(( segid "PAH2" and resid 50 and name HN ))
(( segid "PAH2" and resid 49 and name HG3 ))
ASSI { 890}
(( segid "PAH2" and resid 50 and name HN ))
(( segid "PAH2" and resid 49 and name HB2 ))
3.000 1.100 1.100 peak 890 weight 0.10000E+01 volume 0.13182E-02 ppm1 8.177 ppm2 1.769 CV 1
ASSI { 891}
(( segid "PAH2" and resid 50 and name HN ))
( segid "PAH2" and resid 50 and name HD% )
3.500 1.600 1.600 peak 891 weight 0.10000E+01 volume 0.51165E-03 ppm1 8.177 ppm2 7.132 CV 1
ASSI { 892}
(( segid "PAH2" and resid 51 and name HN ))
(( segid "PAH2" and resid 50 and name HB3 ))
2.800 1.000 1.000 peak 892 weight 0.10000E+01 volume 0.22289E-02 ppm1 8.332 ppm2 3.001 CV 1
OR { 892}
(( segid "PAH2" and resid 51 and name HN ))
(( segid "PAH2" and resid 50 and name HB2 ))
ASSI { 893}
(( segid "PAH2" and resid 51 and name HN ))
(( segid "PAH2" and resid 51 and name HB2 ))
2.800 0.900 0.900 peak 893 weight 0.10000E+01 volume 0.23037E-02 ppm1 8.332 ppm2 1.745 CV 1
ASSI { 896}
(( segid "PAH2" and resid 51 and name HN ))
( segid "PAH2" and resid 50 and name HD% )
3.800 1.800 1.800 peak 896 weight 0.10000E+01 volume 0.33189E-03 ppm1 8.332 ppm2 7.107 CV 1
ASSI { 897}
(( segid "PAH2" and resid 52 and name HN ))
(( segid "PAH2" and resid 51 and name HA ))
2.400 0.700 0.700 peak 897 weight 0.10000E+01 volume 0.57353E-02 ppm1 7.758 ppm2 4.270 CV 1
ASSI { 899}
(( segid "PAH2" and resid 52 and name HN ))
(( segid "PAH2" and resid 51 and name HB2 ))
3.100 1.200 1.200 peak 899 weight 0.10000E+01 volume 0.11301E-02 ppm1 7.758 ppm2 1.782 CV 1
ASSI { 901}
(( segid "PAH2" and resid 52 and name HN ))
(( segid "PAH2" and resid 51 and name HN ))
2.600 0.800 0.800 peak 901 weight 0.10000E+01 volume 0.33653E-02 ppm1 7.758 ppm2 8.326 CV 1
ASSI { 903}
(( segid "PAH2" and resid 53 and name HN ))
(( segid "PAH2" and resid 52 and name HA2 ))
2.500 0.800 0.800 peak 903 weight 0.10000E+01 volume 0.43375E-02 ppm1 8.335 ppm2 3.748 CV 1
ASSI { 904}
(( segid "PAH2" and resid 53 and name HN ))
(( segid "PAH2" and resid 53 and name HG2 ))
3.100 1.200 1.200 peak 904 weight 0.10000E+01 volume 0.10703E-02 ppm1 8.335 ppm2 2.640 CV 1
OR { 904}
(( segid "PAH2" and resid 53 and name HN ))
(( segid "PAH2" and resid 53 and name HG3 ))
ASSI { 905}
(( segid "PAH2" and resid 53 and name HN ))
(( segid "PAH2" and resid 53 and name HB3 ))
2.400 0.700 0.700 peak 905 weight 0.10000E+01 volume 0.50452E-02 ppm1 8.335 ppm2 2.018 CV 1
ASSI { 906}
(( segid "PAH2" and resid 53 and name HN ))
(( segid "PAH2" and resid 53 and name HB2 ))
2.500 0.800 0.800 peak 906 weight 0.10000E+01 volume 0.37531E-02 ppm1 8.335 ppm2 1.894 CV 1
ASSI { 907}
(( segid "PAH2" and resid 53 and name HN ))
( segid "PAH2" and resid 38 and name HD% )
5.000 3.100 1.000 peak 907 weight 0.10000E+01 volume 0.63905E-04 ppm1 8.335 ppm2 6.936 CV 1
ASSI { 908}
(( segid "PAH2" and resid 53 and name HN ))
( segid "PAH2" and resid 38 and name HE% )
4.700 2.800 1.300 peak 908 weight 0.10000E+01 volume 0.94031E-04 ppm1 8.335 ppm2 6.775 CV 1
ASSI { 909}
(( segid "PAH2" and resid 54 and name HN ))
(( segid "PAH2" and resid 57 and name HN ))
3.900 1.900 1.900 peak 909 weight 0.10000E+01 volume 0.27373E-03 ppm1 8.954 ppm2 7.890 CV 1
ASSI { 911}
(( segid "PAH2" and resid 54 and name HN ))
(( segid "PAH2" and resid 54 and name HB3 ))
2.700 0.900 0.900 peak 911 weight 0.10000E+01 volume 0.28667E-02 ppm1 8.952 ppm2 4.058 CV 1
ASSI { 912}
(( segid "PAH2" and resid 54 and name HN ))
(( segid "PAH2" and resid 53 and name HG3 ))
2.900 1.000 1.000 peak 912 weight 0.10000E+01 volume 0.18260E-02 ppm1 8.950 ppm2 2.650 CV 1
OR { 912}
(( segid "PAH2" and resid 54 and name HN ))
(( segid "PAH2" and resid 53 and name HG2 ))
ASSI { 913}
(( segid "PAH2" and resid 54 and name HN ))
(( segid "PAH2" and resid 56 and name HG2 ))
2.500 0.800 0.800 peak 913 weight 0.10000E+01 volume 0.38541E-02 ppm1 8.950 ppm2 2.352 CV 1
OR { 913}
(( segid "PAH2" and resid 54 and name HN ))
(( segid "PAH2" and resid 56 and name HG3 ))
ASSI { 914}
(( segid "PAH2" and resid 54 and name HN ))
(( segid "PAH2" and resid 53 and name HB3 ))
2.700 0.900 0.900 peak 914 weight 0.10000E+01 volume 0.27112E-02 ppm1 8.950 ppm2 2.055 CV 1
OR { 914}
(( segid "PAH2" and resid 54 and name HN ))
( segid "PAH2" and resid 53 and name HE% )
ASSI { 915}
(( segid "PAH2" and resid 54 and name HN ))
(( segid "PAH2" and resid 53 and name HB2 ))
3.300 1.400 1.400 peak 915 weight 0.10000E+01 volume 0.74528E-03 ppm1 8.950 ppm2 1.894 CV 1
ASSI { 916}
(( segid "PAH2" and resid 55 and name HN ))
(( segid "PAH2" and resid 54 and name HA ))
2.700 0.900 0.900 peak 916 weight 0.10000E+01 volume 0.24952E-02 ppm1 9.140 ppm2 4.793 CV 1
ASSI { 917}
(( segid "PAH2" and resid 55 and name HN ))
(( segid "PAH2" and resid 54 and name HB2 ))
2.600 0.900 0.900 peak 917 weight 0.10000E+01 volume 0.30844E-02 ppm1 9.140 ppm2 4.483 CV 1
ASSI { 918}
(( segid "PAH2" and resid 55 and name HN ))
(( segid "PAH2" and resid 54 and name HB3 ))
2.600 0.900 0.900 peak 918 weight 0.10000E+01 volume 0.29057E-02 ppm1 9.140 ppm2 4.062 CV 1
ASSI { 919}
(( segid "PAH2" and resid 55 and name HN ))
(( segid "PAH2" and resid 55 and name HA ))
2.900 1.000 1.000 peak 919 weight 0.10000E+01 volume 0.17088E-02 ppm1 9.140 ppm2 3.799 CV 1
ASSI { 920}
(( segid "PAH2" and resid 55 and name HN ))
(( segid "PAH2" and resid 55 and name HG3 ))
2.500 0.800 0.800 peak 920 weight 0.10000E+01 volume 0.42708E-02 ppm1 9.140 ppm2 2.359 CV 1
OR { 920}
(( segid "PAH2" and resid 55 and name HN ))
(( segid "PAH2" and resid 55 and name HG2 ))
ASSI { 921}
(( segid "PAH2" and resid 55 and name HN ))
(( segid "PAH2" and resid 55 and name HB2 ))
2.400 0.700 0.700 peak 921 weight 0.10000E+01 volume 0.48507E-02 ppm1 9.140 ppm2 2.104 CV 1
ASSI { 924}
(( segid "PAH2" and resid 56 and name HN ))
(( segid "PAH2" and resid 56 and name HA ))
2.700 0.900 0.900 peak 924 weight 0.10000E+01 volume 0.26782E-02 ppm1 8.833 ppm2 4.010 CV 1
ASSI { 925}
(( segid "PAH2" and resid 56 and name HN ))
(( segid "PAH2" and resid 56 and name HG2 ))
2.700 0.900 0.900 peak 925 weight 0.10000E+01 volume 0.23415E-02 ppm1 8.833 ppm2 2.338 CV 1
ASSI { 927}
(( segid "PAH2" and resid 56 and name HN ))
(( segid "PAH2" and resid 54 and name HB2 ))
3.200 1.300 1.300 peak 927 weight 0.10000E+01 volume 0.92928E-03 ppm1 8.833 ppm2 4.468 CV 1
ASSI { 928}
(( segid "PAH2" and resid 57 and name HN ))
(( segid "PAH2" and resid 56 and name HG3 ))
2.100 0.600 0.600 peak 928 weight 0.10000E+01 volume 0.10616E-01 ppm1 7.913 ppm2 2.352 CV 1
ASSI { 929}
(( segid "PAH2" and resid 73 and name HN ))
(( segid "PAH2" and resid 73 and name HB2 ))
2.200 0.600 0.600 peak 929 weight 0.10000E+01 volume 0.97977E-02 ppm1 7.912 ppm2 2.065 CV 1
ASSI { 931}
(( segid "PAH2" and resid 58 and name HN ))
(( segid "PAH2" and resid 57 and name HA ))
3.100 1.200 1.200 peak 931 weight 0.10000E+01 volume 0.12270E-02 ppm1 8.051 ppm2 4.062 CV 1
ASSI { 934}
(( segid "PAH2" and resid 58 and name HN ))
( segid "PAH2" and resid 58 and name HG2%)
2.300 0.700 0.700 peak 934 weight 0.10000E+01 volume 0.70001E-02 ppm1 8.052 ppm2 0.789 CV 1
ASSI { 935}
(( segid "PAH2" and resid 59 and name HN ))
( segid "PAH2" and resid 76 and name HE% )
3.600 1.600 1.600 peak 935 weight 0.10000E+01 volume 0.46876E-03 ppm1 8.361 ppm2 7.122 CV 1
ASSI { 936}
(( segid "PAH2" and resid 59 and name HN ))
(( segid "PAH2" and resid 59 and name HB3 ))
2.700 0.900 0.900 peak 936 weight 0.10000E+01 volume 0.26374E-02 ppm1 8.360 ppm2 3.273 CV 1
ASSI { 937}
(( segid "PAH2" and resid 59 and name HN ))
(( segid "PAH2" and resid 58 and name HB ))
2.700 0.900 0.900 peak 937 weight 0.10000E+01 volume 0.25342E-02 ppm1 8.360 ppm2 2.113 CV 1
ASSI { 938}
(( segid "PAH2" and resid 59 and name HN ))
( segid "PAH2" and resid 58 and name HG1%)
2.700 0.900 0.900 peak 938 weight 0.10000E+01 volume 0.25174E-02 ppm1 8.361 ppm2 0.779 CV 1
OR { 938}
(( segid "PAH2" and resid 59 and name HN ))
( segid "PAH2" and resid 58 and name HG2%)
ASSI { 939}
(( segid "PAH2" and resid 59 and name HN ))
( segid "PAH2" and resid 80 and name HD1%)
3.400 1.400 1.400 peak 939 weight 0.10000E+01 volume 0.65473E-03 ppm1 8.361 ppm2 0.630 CV 1
OR { 939}
(( segid "PAH2" and resid 59 and name HN ))
( segid "PAH2" and resid 80 and name HD2%)
ASSI { 940}
(( segid "PAH2" and resid 59 and name HN ))
(( segid "PAH2" and resid 59 and name HB2 ))
2.200 0.600 0.600 peak 940 weight 0.10000E+01 volume 0.78010E-02 ppm1 8.361 ppm2 3.041 CV 1
ASSI { 946}
(( segid "PAH2" and resid 61 and name HN ))
(( segid "PAH2" and resid 60 and name HB ))
2.700 0.900 0.900 peak 946 weight 0.10000E+01 volume 0.27280E-02 ppm1 7.969 ppm2 4.310 CV 1
ASSI { 950}
(( segid "PAH2" and resid 61 and name HN ))
(( segid "PAH2" and resid 61 and name HB2 ))
2.300 0.700 0.700 peak 950 weight 0.10000E+01 volume 0.64080E-02 ppm1 7.969 ppm2 2.005 CV 1
ASSI { 952}
(( segid "PAH2" and resid 61 and name HN ))
( segid "PAH2" and resid 34 and name HG2%)
3.400 1.500 1.500 peak 952 weight 0.10000E+01 volume 0.60539E-03 ppm1 7.969 ppm2 0.729 CV 1
OR { 952}
(( segid "PAH2" and resid 61 and name HN ))
( segid "PAH2" and resid 34 and name HD1%)
ASSI { 953}
(( segid "PAH2" and resid 61 and name HN ))
( segid "PAH2" and resid 62 and name HG2%)
4.900 3.100 1.100 peak 953 weight 0.10000E+01 volume 0.68549E-04 ppm1 7.969 ppm2 0.519 CV 1
ASSI { 954}
(( segid "PAH2" and resid 62 and name HN ))
(( segid "PAH2" and resid 58 and name HA ))
5.100 3.300 0.900 peak 954 weight 0.10000E+01 volume 0.56029E-04 ppm1 8.339 ppm2 3.542 CV 1
ASSI { 955}
(( segid "PAH2" and resid 62 and name HN ))
(( segid "PAH2" and resid 60 and name HA ))
4.700 2.800 1.300 peak 955 weight 0.10000E+01 volume 0.93623E-04 ppm1 8.339 ppm2 3.740 CV 1
ASSI { 957}
(( segid "PAH2" and resid 62 and name HN ))
(( segid "PAH2" and resid 61 and name HB2 ))
2.500 0.800 0.800 peak 957 weight 0.10000E+01 volume 0.42522E-02 ppm1 8.339 ppm2 2.005 CV 1
OR { 957}
(( segid "PAH2" and resid 62 and name HN ))
(( segid "PAH2" and resid 61 and name HB3 ))
ASSI { 958}
(( segid "PAH2" and resid 62 and name HN ))
(( segid "PAH2" and resid 62 and name HB ))
2.400 0.700 0.700 peak 958 weight 0.10000E+01 volume 0.52198E-02 ppm1 8.339 ppm2 1.510 CV 1
ASSI { 959}
(( segid "PAH2" and resid 62 and name HN ))
( segid "PAH2" and resid 34 and name HG2%)
2.900 1.000 1.000 peak 959 weight 0.10000E+01 volume 0.17785E-02 ppm1 8.339 ppm2 0.754 CV 1
OR { 959}
(( segid "PAH2" and resid 62 and name HN ))
( segid "PAH2" and resid 34 and name HD1%)
ASSI { 960}
(( segid "PAH2" and resid 62 and name HN ))
( segid "PAH2" and resid 62 and name HG2%)
2.400 0.700 0.700 peak 960 weight 0.10000E+01 volume 0.47729E-02 ppm1 8.339 ppm2 0.519 CV 1
ASSI { 964}
(( segid "PAH2" and resid 63 and name HN ))
(( segid "PAH2" and resid 63 and name HA ))
2.500 0.800 0.800 peak 964 weight 0.10000E+01 volume 0.44084E-02 ppm1 8.717 ppm2 3.731 CV 1
ASSI { 966}
(( segid "PAH2" and resid 63 and name HN ))
(( segid "PAH2" and resid 64 and name HB2 ))
4.300 2.300 1.700 peak 966 weight 0.10000E+01 volume 0.15294E-03 ppm1 8.717 ppm2 2.775 CV 1
OR { 966}
(( segid "PAH2" and resid 63 and name HN ))
(( segid "PAH2" and resid 64 and name HB3 ))
ASSI { 967}
(( segid "PAH2" and resid 63 and name HN ))
(( segid "PAH2" and resid 62 and name HB ))
2.700 0.900 0.900 peak 967 weight 0.10000E+01 volume 0.25568E-02 ppm1 8.717 ppm2 1.499 CV 1
ASSI { 968}
(( segid "PAH2" and resid 63 and name HN ))
( segid "PAH2" and resid 63 and name HB% )
2.200 0.600 0.600 peak 968 weight 0.10000E+01 volume 0.92463E-02 ppm1 8.717 ppm2 1.137 CV 1
ASSI { 969}
(( segid "PAH2" and resid 63 and name HN ))
( segid "PAH2" and resid 73 and name HD1%)
2.900 1.100 1.100 peak 969 weight 0.10000E+01 volume 0.16118E-02 ppm1 8.717 ppm2 0.784 CV 1
OR { 969}
(( segid "PAH2" and resid 63 and name HN ))
( segid "PAH2" and resid 73 and name HD2%)
ASSI { 970}
(( segid "PAH2" and resid 63 and name HN ))
( segid "PAH2" and resid 62 and name HG2%)
3.600 1.600 1.600 peak 970 weight 0.10000E+01 volume 0.46661E-03 ppm1 8.714 ppm2 0.509 CV 1
ASSI { 971}
(( segid "PAH2" and resid 63 and name HN ))
( segid "PAH2" and resid 62 and name HG1%)
3.200 1.300 1.300 peak 971 weight 0.10000E+01 volume 0.90490E-03 ppm1 8.714 ppm2 -0.269 CV 1
ASSI { 972}
(( segid "PAH2" and resid 64 and name HN ))
(( segid "PAH2" and resid 61 and name HA ))
2.900 1.000 1.000 peak 972 weight 0.10000E+01 volume 0.17732E-02 ppm1 7.521 ppm2 4.038 CV 1
ASSI { 974}
(( segid "PAH2" and resid 64 and name HN ))
(( segid "PAH2" and resid 64 and name HB2 ))
2.100 0.600 0.600 peak 974 weight 0.10000E+01 volume 0.10947E-01 ppm1 7.522 ppm2 2.770 CV 1
ASSI { 975}
(( segid "PAH2" and resid 64 and name HN ))
( segid "PAH2" and resid 63 and name HB% )
2.400 0.700 0.700 peak 975 weight 0.10000E+01 volume 0.49354E-02 ppm1 7.522 ppm2 1.150 CV 1
ASSI { 977}
(( segid "PAH2" and resid 64 and name HN ))
(( segid "PAH2" and resid 67 and name HN ))
4.400 2.400 1.600 peak 977 weight 0.10000E+01 volume 0.13721E-03 ppm1 7.522 ppm2 6.923 CV 1
ASSI { 978}
(( segid "PAH2" and resid 65 and name HN ))
(( segid "PAH2" and resid 64 and name HA ))
3.500 1.500 1.500 peak 978 weight 0.10000E+01 volume 0.57828E-03 ppm1 7.522 ppm2 4.399 CV 1
ASSI { 979}
(( segid "PAH2" and resid 65 and name HN ))
(( segid "PAH2" and resid 63 and name HA ))
4.300 2.300 1.700 peak 979 weight 0.10000E+01 volume 0.16909E-03 ppm1 7.522 ppm2 3.708 CV 1
ASSI { 980}
(( segid "PAH2" and resid 65 and name HN ))
(( segid "PAH2" and resid 62 and name HA ))
3.000 1.100 1.100 peak 980 weight 0.10000E+01 volume 0.13513E-02 ppm1 7.522 ppm2 2.930 CV 1
ASSI { 981}
(( segid "PAH2" and resid 65 and name HN ))
(( segid "PAH2" and resid 64 and name HB2 ))
2.500 0.800 0.800 peak 981 weight 0.10000E+01 volume 0.38685E-02 ppm1 7.522 ppm2 2.770 CV 1
OR { 981}
(( segid "PAH2" and resid 65 and name HN ))
(( segid "PAH2" and resid 64 and name HB3 ))
ASSI { 982}
(( segid "PAH2" and resid 65 and name HN ))
(( segid "PAH2" and resid 65 and name HG ))
2.600 0.900 0.900 peak 982 weight 0.10000E+01 volume 0.31250E-02 ppm1 7.522 ppm2 1.536 CV 1
ASSI { 983}
(( segid "PAH2" and resid 65 and name HN ))
(( segid "PAH2" and resid 65 and name HB2 ))
2.200 0.600 0.600 peak 983 weight 0.10000E+01 volume 0.83292E-02 ppm1 7.522 ppm2 1.400 CV 1
ASSI { 984}
(( segid "PAH2" and resid 65 and name HN ))
( segid "PAH2" and resid 65 and name HD1%)
2.700 0.900 0.900 peak 984 weight 0.10000E+01 volume 0.23658E-02 ppm1 7.522 ppm2 0.763 CV 1
OR { 984}
(( segid "PAH2" and resid 65 and name HN ))
( segid "PAH2" and resid 65 and name HD2%)
ASSI { 985}
(( segid "PAH2" and resid 66 and name HN ))
( segid "PAH2" and resid 66 and name HD% )
3.000 1.100 1.100 peak 985 weight 0.10000E+01 volume 0.13089E-02 ppm1 8.213 ppm2 6.568 CV 1
ASSI { 986}
(( segid "PAH2" and resid 66 and name HN ))
(( segid "PAH2" and resid 65 and name HA ))
3.100 1.200 1.200 peak 986 weight 0.10000E+01 volume 0.10575E-02 ppm1 8.217 ppm2 4.028 CV 1
ASSI { 988}
(( segid "PAH2" and resid 66 and name HN ))
(( segid "PAH2" and resid 66 and name HB2 ))
2.400 0.700 0.700 peak 988 weight 0.10000E+01 volume 0.48060E-02 ppm1 8.217 ppm2 2.881 CV 1
ASSI { 989}
(( segid "PAH2" and resid 66 and name HN ))
( segid "PAH2" and resid 65 and name HD1%)
3.200 1.300 1.300 peak 989 weight 0.10000E+01 volume 0.99776E-03 ppm1 8.217 ppm2 0.784 CV 1
OR { 989}
(( segid "PAH2" and resid 66 and name HN ))
( segid "PAH2" and resid 65 and name HD2%)
ASSI { 990}
(( segid "PAH2" and resid 66 and name HN ))
( segid "PAH2" and resid 62 and name HG1%)
5.400 3.700 0.600 peak 990 weight 0.10000E+01 volume 0.38587E-04 ppm1 8.217 ppm2 -0.241 CV 1
ASSI { 991}
(( segid "PAH2" and resid 66 and name HN ))
(( segid "PAH2" and resid 65 and name HB3 ))
2.500 0.800 0.800 peak 991 weight 0.10000E+01 volume 0.37943E-02 ppm1 8.217 ppm2 1.376 CV 1
OR { 991}
(( segid "PAH2" and resid 66 and name HN ))
(( segid "PAH2" and resid 65 and name HB2 ))
ASSI { 992}
(( segid "PAH2" and resid 66 and name HN ))
(( segid "PAH2" and resid 65 and name HG ))
3.900 1.900 1.900 peak 992 weight 0.10000E+01 volume 0.30206E-03 ppm1 8.217 ppm2 1.546 CV 1
ASSI { 993}
(( segid "PAH2" and resid 67 and name HN ))
( segid "PAH2" and resid 66 and name HD% )
4.300 2.300 1.700 peak 993 weight 0.10000E+01 volume 0.16240E-03 ppm1 6.967 ppm2 6.562 CV 1
ASSI { 994}
(( segid "PAH2" and resid 67 and name HN ))
(( segid "PAH2" and resid 64 and name HA ))
3.400 1.400 1.400 peak 994 weight 0.10000E+01 volume 0.70116E-03 ppm1 6.967 ppm2 4.399 CV 1
ASSI { 995}
(( segid "PAH2" and resid 67 and name HN ))
(( segid "PAH2" and resid 66 and name HA ))
2.900 1.100 1.100 peak 995 weight 0.10000E+01 volume 0.16223E-02 ppm1 6.967 ppm2 4.843 CV 1
ASSI { 996}
(( segid "PAH2" and resid 67 and name HN ))
(( segid "PAH2" and resid 66 and name HB3 ))
3.700 1.700 1.700 peak 996 weight 0.10000E+01 volume 0.38669E-03 ppm1 6.967 ppm2 3.695 CV 1
ASSI { 997}
(( segid "PAH2" and resid 67 and name HN ))
(( segid "PAH2" and resid 67 and name HD3 ))
3.700 1.700 1.700 peak 997 weight 0.10000E+01 volume 0.41455E-03 ppm1 6.967 ppm2 3.251 CV 1
OR { 997}
(( segid "PAH2" and resid 67 and name HN ))
(( segid "PAH2" and resid 67 and name HD2 ))
ASSI { 998}
(( segid "PAH2" and resid 67 and name HN ))
(( segid "PAH2" and resid 66 and name HB2 ))
3.800 1.800 1.800 peak 998 weight 0.10000E+01 volume 0.35993E-03 ppm1 6.967 ppm2 2.869 CV 1
ASSI { 999}
(( segid "PAH2" and resid 67 and name HN ))
(( segid "PAH2" and resid 67 and name HB2 ))
2.300 0.700 0.700 peak 999 weight 0.10000E+01 volume 0.70407E-02 ppm1 6.967 ppm2 1.968 CV 1
ASSI { 1000}
(( segid "PAH2" and resid 67 and name HN ))
(( segid "PAH2" and resid 67 and name HB3 ))
2.200 0.600 0.600 peak 1000 weight 0.10000E+01 volume 0.81551E-02 ppm1 6.967 ppm2 1.833 CV 1
ASSI { 1002}
(( segid "PAH2" and resid 68 and name HN ))
(( segid "PAH2" and resid 67 and name HA ))
2.200 0.600 0.600 peak 1002 weight 0.10000E+01 volume 0.93740E-02 ppm1 9.407 ppm2 4.094 CV 1
ASSI { 1003}
(( segid "PAH2" and resid 68 and name HN ))
(( segid "PAH2" and resid 67 and name HB2 ))
3.400 1.500 1.500 peak 1003 weight 0.10000E+01 volume 0.61816E-03 ppm1 9.406 ppm2 1.956 CV 1
ASSI { 1004}
(( segid "PAH2" and resid 68 and name HN ))
(( segid "PAH2" and resid 67 and name HG2 ))
2.700 0.900 0.900 peak 1004 weight 0.10000E+01 volume 0.25057E-02 ppm1 9.406 ppm2 1.800 CV 1
ASSI { 1005}
(( segid "PAH2" and resid 69 and name HN ))
(( segid "PAH2" and resid 68 and name HA2 ))
2.900 1.000 1.000 peak 1005 weight 0.10000E+01 volume 0.18505E-02 ppm1 8.491 ppm2 4.300 CV 1
ASSI { 1006}
(( segid "PAH2" and resid 69 and name HN ))
(( segid "PAH2" and resid 67 and name HA ))
2.800 1.000 1.000 peak 1006 weight 0.10000E+01 volume 0.19177E-02 ppm1 8.491 ppm2 4.090 CV 1
ASSI { 1007}
(( segid "PAH2" and resid 69 and name HN ))
(( segid "PAH2" and resid 68 and name HA1 ))
2.800 1.000 1.000 peak 1007 weight 0.10000E+01 volume 0.22608E-02 ppm1 8.491 ppm2 3.880 CV 1
ASSI { 1008}
(( segid "PAH2" and resid 69 and name HN ))
(( segid "PAH2" and resid 66 and name HB3 ))
4.000 2.000 2.000 peak 1008 weight 0.10000E+01 volume 0.23182E-03 ppm1 8.491 ppm2 3.683 CV 1
ASSI { 1009}
(( segid "PAH2" and resid 69 and name HN ))
(( segid "PAH2" and resid 69 and name HG3 ))
2.500 0.800 0.800 peak 1009 weight 0.10000E+01 volume 0.44269E-02 ppm1 8.489 ppm2 2.230 CV 1
OR { 1009}
(( segid "PAH2" and resid 69 and name HN ))
(( segid "PAH2" and resid 69 and name HG2 ))
ASSI { 1010}
(( segid "PAH2" and resid 69 and name HN ))
(( segid "PAH2" and resid 69 and name HB2 ))
2.400 0.700 0.700 peak 1010 weight 0.10000E+01 volume 0.56516E-02 ppm1 8.491 ppm2 1.845 CV 1
OR { 1010}
(( segid "PAH2" and resid 69 and name HN ))
(( segid "PAH2" and resid 69 and name HB3 ))
ASSI { 1011}
(( segid "PAH2" and resid 69 and name HN ))
( segid "PAH2" and resid 73 and name HD2%)
5.500 3.800 0.500 peak 1011 weight 0.10000E+01 volume 0.34733E-04 ppm1 8.491 ppm2 0.808 CV 1
ASSI { 1012}
(( segid "PAH2" and resid 69 and name HN ))
( segid "PAH2" and resid 72 and name HD1%)
4.800 2.800 1.200 peak 1012 weight 0.10000E+01 volume 0.85672E-04 ppm1 8.491 ppm2 0.142 CV 1
ASSI { 1013}
(( segid "PAH2" and resid 69 and name HN ))
(( segid "PAH2" and resid 69 and name HE22))
3.700 1.700 1.700 peak 1013 weight 0.10000E+01 volume 0.37589E-03 ppm1 8.488 ppm2 6.755 CV 1
ASSI { 1014}
(( segid "PAH2" and resid 69 and name HN ))
(( segid "PAH2" and resid 69 and name HE21))
4.000 2.000 2.000 peak 1014 weight 0.10000E+01 volume 0.23188E-03 ppm1 8.489 ppm2 7.516 CV 1
ASSI { 1015}
(( segid "PAH2" and resid 70 and name HN ))
(( segid "PAH2" and resid 72 and name HN ))
3.700 1.700 1.700 peak 1015 weight 0.10000E+01 volume 0.36951E-03 ppm1 8.590 ppm2 7.786 CV 1
ASSI { 1021}
(( segid "PAH2" and resid 71 and name HN ))
(( segid "PAH2" and resid 70 and name HA ))
3.000 1.100 1.100 peak 1021 weight 0.10000E+01 volume 0.13641E-02 ppm1 8.986 ppm2 3.905 CV 1
ASSI { 1022}
(( segid "PAH2" and resid 71 and name HN ))
(( segid "PAH2" and resid 71 and name HB2 ))
2.500 0.800 0.800 peak 1022 weight 0.10000E+01 volume 0.45175E-02 ppm1 8.986 ppm2 2.819 CV 1
ASSI { 1023}
(( segid "PAH2" and resid 71 and name HN ))
(( segid "PAH2" and resid 71 and name HB3 ))
2.700 0.900 0.900 peak 1023 weight 0.10000E+01 volume 0.27977E-02 ppm1 8.986 ppm2 2.647 CV 1
ASSI { 1024}
(( segid "PAH2" and resid 71 and name HN ))
(( segid "PAH2" and resid 70 and name HB2 ))
2.700 0.900 0.900 peak 1024 weight 0.10000E+01 volume 0.28738E-02 ppm1 8.986 ppm2 2.091 CV 1
OR { 1024}
(( segid "PAH2" and resid 71 and name HN ))
(( segid "PAH2" and resid 70 and name HB3 ))
ASSI { 1026}
(( segid "PAH2" and resid 71 and name HN ))
(( segid "PAH2" and resid 72 and name HG ))
3.200 1.300 1.300 peak 1026 weight 0.10000E+01 volume 0.91593E-03 ppm1 8.986 ppm2 1.548 CV 1
ASSI { 1027}
(( segid "PAH2" and resid 71 and name HN ))
( segid "PAH2" and resid 72 and name HD2%)
6.000 4.600 0.000 peak 1027 weight 0.10000E+01 volume 0.20530E-04 ppm1 8.986 ppm2 0.450 CV 1
ASSI { 1028}
(( segid "PAH2" and resid 71 and name HN ))
( segid "PAH2" and resid 72 and name HD1%)
5.700 4.000 0.300 peak 1028 weight 0.10000E+01 volume 0.30484E-04 ppm1 8.986 ppm2 0.154 CV 1
ASSI { 1029}
(( segid "PAH2" and resid 72 and name HN ))
(( segid "PAH2" and resid 71 and name HB2 ))
4.000 2.000 2.000 peak 1029 weight 0.10000E+01 volume 0.23780E-03 ppm1 7.775 ppm2 2.828 CV 1
ASSI { 1031}
(( segid "PAH2" and resid 72 and name HN ))
(( segid "PAH2" and resid 72 and name HG ))
2.200 0.600 0.600 peak 1031 weight 0.10000E+01 volume 0.80448E-02 ppm1 7.776 ppm2 1.561 CV 1
ASSI { 1032}
(( segid "PAH2" and resid 72 and name HN ))
(( segid "PAH2" and resid 72 and name HB2 ))
2.900 1.100 1.100 peak 1032 weight 0.10000E+01 volume 0.15590E-02 ppm1 7.775 ppm2 0.985 CV 1
ASSI { 1035}
(( segid "PAH2" and resid 73 and name HN ))
( segid "PAH2" and resid 73 and name HD2%)
2.800 1.000 1.000 peak 1035 weight 0.10000E+01 volume 0.20843E-02 ppm1 7.887 ppm2 0.810 CV 1
ASSI { 1036}
(( segid "PAH2" and resid 73 and name HN ))
(( segid "PAH2" and resid 72 and name HB2 ))
3.600 1.600 1.600 peak 1036 weight 0.10000E+01 volume 0.49290E-03 ppm1 7.886 ppm2 0.961 CV 1
ASSI { 1038}
(( segid "PAH2" and resid 73 and name HN ))
(( segid "PAH2" and resid 73 and name HB3 ))
2.200 0.600 0.600 peak 1038 weight 0.10000E+01 volume 0.96003E-02 ppm1 7.886 ppm2 1.821 CV 1
ASSI { 1045}
(( segid "PAH2" and resid 75 and name HN ))
(( segid "PAH2" and resid 75 and name HG2 ))
2.800 1.000 1.000 peak 1045 weight 0.10000E+01 volume 0.22684E-02 ppm1 7.911 ppm2 2.311 CV 1
ASSI { 1046}
(( segid "PAH2" and resid 75 and name HN ))
(( segid "PAH2" and resid 75 and name HG3 ))
2.300 0.700 0.700 peak 1046 weight 0.10000E+01 volume 0.66575E-02 ppm1 7.910 ppm2 2.046 CV 1
OR { 1046}
(( segid "PAH2" and resid 75 and name HN ))
(( segid "PAH2" and resid 75 and name HB3 ))
ASSI { 1047}
(( segid "PAH2" and resid 75 and name HN ))
(( segid "PAH2" and resid 75 and name HB2 ))
2.500 0.800 0.800 peak 1047 weight 0.10000E+01 volume 0.42918E-02 ppm1 7.910 ppm2 1.861 CV 1
ASSI { 1050}
(( segid "PAH2" and resid 75 and name HN ))
( segid "PAH2" and resid 13 and name HE% )
3.600 1.600 1.600 peak 1050 weight 0.10000E+01 volume 0.48344E-03 ppm1 7.909 ppm2 6.783 CV 1
ASSI { 1051}
(( segid "PAH2" and resid 76 and name HN ))
(( segid "PAH2" and resid 76 and name HB3 ))
2.300 0.700 0.700 peak 1051 weight 0.10000E+01 volume 0.59784E-02 ppm1 7.641 ppm2 4.041 CV 1
ASSI { 1052}
(( segid "PAH2" and resid 76 and name HN ))
(( segid "PAH2" and resid 76 and name HB2 ))
2.500 0.800 0.800 peak 1052 weight 0.10000E+01 volume 0.42464E-02 ppm1 7.641 ppm2 3.249 CV 1
ASSI { 1053}
(( segid "PAH2" and resid 76 and name HN ))
(( segid "PAH2" and resid 75 and name HB3 ))
3.200 1.300 1.300 peak 1053 weight 0.10000E+01 volume 0.95655E-03 ppm1 7.641 ppm2 2.030 CV 1
ASSI { 1054}
(( segid "PAH2" and resid 76 and name HN ))
(( segid "PAH2" and resid 75 and name HB2 ))
3.200 1.300 1.300 peak 1054 weight 0.10000E+01 volume 0.98732E-03 ppm1 7.641 ppm2 1.860 CV 1
ASSI { 1055}
(( segid "PAH2" and resid 76 and name HN ))
( segid "PAH2" and resid 13 and name HE% )
3.400 1.400 1.400 peak 1055 weight 0.10000E+01 volume 0.70929E-03 ppm1 7.640 ppm2 6.794 CV 1
ASSI { 1057}
(( segid "PAH2" and resid 76 and name HN ))
( segid "PAH2" and resid 76 and name HD% )
3.200 1.300 1.300 peak 1057 weight 0.10000E+01 volume 0.87007E-03 ppm1 7.641 ppm2 7.318 CV 1
ASSI { 1058}
(( segid "PAH2" and resid 77 and name HN ))
(( segid "PAH2" and resid 76 and name HB2 ))
2.800 1.000 1.000 peak 1058 weight 0.10000E+01 volume 0.19468E-02 ppm1 7.753 ppm2 3.249 CV 1
ASSI { 1059}
(( segid "PAH2" and resid 77 and name HN ))
(( segid "PAH2" and resid 76 and name HB3 ))
2.800 1.000 1.000 peak 1059 weight 0.10000E+01 volume 0.20808E-02 ppm1 7.753 ppm2 4.053 CV 1
ASSI { 1060}
(( segid "PAH2" and resid 77 and name HN ))
(( segid "PAH2" and resid 76 and name HA ))
2.800 1.000 1.000 peak 1060 weight 0.10000E+01 volume 0.19038E-02 ppm1 7.753 ppm2 4.296 CV 1
ASSI { 1062}
(( segid "PAH2" and resid 77 and name HN ))
(( segid "PAH2" and resid 78 and name HN ))
2.500 0.800 0.800 peak 1062 weight 0.10000E+01 volume 0.40816E-02 ppm1 7.753 ppm2 7.281 CV 1
ASSI { 1065}
(( segid "PAH2" and resid 78 and name HN ))
(( segid "PAH2" and resid 80 and name HN ))
3.500 1.500 1.500 peak 1065 weight 0.10000E+01 volume 0.55936E-03 ppm1 7.271 ppm2 6.843 CV 1
ASSI { 1067}
(( segid "PAH2" and resid 78 and name HN ))
(( segid "PAH2" and resid 75 and name HA ))
3.400 1.400 1.400 peak 1067 weight 0.10000E+01 volume 0.69826E-03 ppm1 7.271 ppm2 4.041 CV 1
ASSI { 1068}
(( segid "PAH2" and resid 78 and name HN ))
(( segid "PAH2" and resid 77 and name HA1 ))
3.200 1.300 1.300 peak 1068 weight 0.10000E+01 volume 0.94959E-03 ppm1 7.271 ppm2 3.431 CV 1
ASSI { 1069}
(( segid "PAH2" and resid 78 and name HN ))
(( segid "PAH2" and resid 78 and name HG3 ))
2.800 1.000 1.000 peak 1069 weight 0.10000E+01 volume 0.22115E-02 ppm1 7.271 ppm2 1.933 CV 1
ASSI { 1070}
(( segid "PAH2" and resid 78 and name HN ))
(( segid "PAH2" and resid 78 and name HG2 ))
2.200 0.600 0.600 peak 1070 weight 0.10000E+01 volume 0.94901E-02 ppm1 7.271 ppm2 1.555 CV 1
OR { 1070}
(( segid "PAH2" and resid 78 and name HN ))
(( segid "PAH2" and resid 78 and name HB3 ))
ASSI { 1071}
(( segid "PAH2" and resid 79 and name HN ))
(( segid "PAH2" and resid 78 and name HA ))
3.100 1.200 1.200 peak 1071 weight 0.10000E+01 volume 0.12131E-02 ppm1 7.623 ppm2 3.822 CV 1
ASSI { 1072}
(( segid "PAH2" and resid 79 and name HN ))
(( segid "PAH2" and resid 77 and name HA1 ))
5.400 3.700 0.600 peak 1072 weight 0.10000E+01 volume 0.38895E-04 ppm1 7.623 ppm2 3.446 CV 1
ASSI { 1073}
(( segid "PAH2" and resid 79 and name HN ))
(( segid "PAH2" and resid 79 and name HB3 ))
2.900 1.100 1.100 peak 1073 weight 0.10000E+01 volume 0.15654E-02 ppm1 7.624 ppm2 2.941 CV 1
ASSI { 1074}
(( segid "PAH2" and resid 79 and name HN ))
(( segid "PAH2" and resid 79 and name HB2 ))
2.700 0.900 0.900 peak 1074 weight 0.10000E+01 volume 0.26271E-02 ppm1 7.625 ppm2 2.422 CV 1
ASSI { 1075}
(( segid "PAH2" and resid 79 and name HN ))
(( segid "PAH2" and resid 78 and name HB3 ))
2.900 1.000 1.000 peak 1075 weight 0.10000E+01 volume 0.18145E-02 ppm1 7.624 ppm2 1.555 CV 1
ASSI { 1076}
(( segid "PAH2" and resid 79 and name HN ))
(( segid "PAH2" and resid 80 and name HG ))
4.300 2.300 1.700 peak 1076 weight 0.10000E+01 volume 0.15916E-03 ppm1 7.624 ppm2 1.263 CV 1
ASSI { 1077}
(( segid "PAH2" and resid 79 and name HN ))
( segid "MAD1" and resid 202 and name HD1%)
4.400 2.500 1.600 peak 1077 weight 0.10000E+01 volume 0.13141E-03 ppm1 7.624 ppm2 0.617 CV 1
ASSI { 1080}
(( segid "PAH2" and resid 80 and name HN ))
(( segid "PAH2" and resid 81 and name HD2 ))
3.600 1.600 1.600 peak 1080 weight 0.10000E+01 volume 0.49046E-03 ppm1 6.852 ppm2 3.687 CV 1
OR { 1080}
(( segid "PAH2" and resid 80 and name HN ))
(( segid "PAH2" and resid 81 and name HD3 ))
ASSI { 1081}
(( segid "PAH2" and resid 80 and name HN ))
(( segid "PAH2" and resid 80 and name HB2 ))
2.400 0.700 0.700 peak 1081 weight 0.10000E+01 volume 0.50173E-02 ppm1 6.852 ppm2 1.385 CV 1
ASSI { 1082}
(( segid "PAH2" and resid 80 and name HN ))
(( segid "PAH2" and resid 80 and name HG ))
2.700 0.900 0.900 peak 1082 weight 0.10000E+01 volume 0.28801E-02 ppm1 6.852 ppm2 1.275 CV 1
ASSI { 1083}
(( segid "PAH2" and resid 80 and name HN ))
( segid "PAH2" and resid 80 and name HD2%)
3.100 1.200 1.200 peak 1083 weight 0.10000E+01 volume 0.12125E-02 ppm1 6.852 ppm2 0.641 CV 1
OR { 1083}
(( segid "PAH2" and resid 80 and name HN ))
( segid "PAH2" and resid 80 and name HD1%)
ASSI { 1084}
(( segid "PAH2" and resid 80 and name HN ))
(( segid "PAH2" and resid 79 and name HB2 ))
3.800 1.800 1.800 peak 1084 weight 0.10000E+01 volume 0.31309E-03 ppm1 6.852 ppm2 2.420 CV 1
ASSI { 1087}
(( segid "PAH2" and resid 82 and name HN ))
(( segid "PAH2" and resid 81 and name HD3 ))
3.900 1.900 1.900 peak 1087 weight 0.10000E+01 volume 0.27623E-03 ppm1 9.150 ppm2 3.693 CV 1
OR { 1087}
(( segid "PAH2" and resid 82 and name HN ))
(( segid "PAH2" and resid 81 and name HD2 ))
ASSI { 1175}
(( segid "PAH2" and resid 8 and name HN ))
(( segid "PAH2" and resid 8 and name HB3 ))
2.300 0.700 0.700 peak 1175 weight 0.10000E+01 volume 0.71219E-02 ppm1 8.382 ppm2 2.922 CV 1
ASSI { 1176}
(( segid "PAH2" and resid 6 and name HN ))
( segid "PAH2" and resid 5 and name HG1%)
2.700 0.900 0.900 peak 1176 weight 0.10000E+01 volume 0.28459E-02 ppm1 8.591 ppm2 0.922 CV 1
OR { 1176}
(( segid "PAH2" and resid 6 and name HN ))
( segid "PAH2" and resid 5 and name HG2%)
ASSI { 1178}
(( segid "PAH2" and resid 8 and name HN ))
(( segid "PAH2" and resid 7 and name HB3 ))
2.500 0.800 0.800 peak 1178 weight 0.10000E+01 volume 0.39963E-02 ppm1 8.382 ppm2 2.993 CV 1
ASSI { 1180}
(( segid "PAH2" and resid 9 and name HN ))
( segid "PAH2" and resid 5 and name HG1%)
3.600 1.700 1.700 peak 1180 weight 0.10000E+01 volume 0.42546E-03 ppm1 8.376 ppm2 0.890 CV 1
ASSI { 1182}
(( segid "PAH2" and resid 9 and name HN ))
(( segid "PAH2" and resid 8 and name HB2 ))
3.000 1.100 1.100 peak 1182 weight 0.10000E+01 volume 0.13774E-02 ppm1 8.375 ppm2 2.753 CV 1
ASSI { 1183}
(( segid "PAH2" and resid 9 and name HN ))
(( segid "PAH2" and resid 9 and name HB3 ))
2.200 0.600 0.600 peak 1183 weight 0.10000E+01 volume 0.80855E-02 ppm1 8.374 ppm2 2.964 CV 1
ASSI { 1184}
(( segid "PAH2" and resid 9 and name HN ))
(( segid "PAH2" and resid 9 and name HB2 ))
2.300 0.700 0.700 peak 1184 weight 0.10000E+01 volume 0.65183E-02 ppm1 8.374 ppm2 3.093 CV 1
ASSI { 1185}
(( segid "PAH2" and resid 9 and name HN ))
(( segid "PAH2" and resid 8 and name HA ))
3.200 1.200 1.200 peak 1185 weight 0.10000E+01 volume 0.10169E-02 ppm1 8.376 ppm2 4.297 CV 1
ASSI { 1186}
(( segid "PAH2" and resid 16 and name HN ))
(( segid "PAH2" and resid 12 and name HA ))
4.400 2.400 1.600 peak 1186 weight 0.10000E+01 volume 0.13768E-03 ppm1 7.955 ppm2 4.154 CV 1
ASSI { 1187}
(( segid "PAH2" and resid 18 and name HN ))
(( segid "PAH2" and resid 14 and name HA ))
5.800 4.200 0.200 peak 1187 weight 0.10000E+01 volume 0.25922E-04 ppm1 8.360 ppm2 3.360 CV 1
ASSI { 1188}
(( segid "PAH2" and resid 19 and name HN ))
(( segid "PAH2" and resid 15 and name HA ))
4.100 2.100 1.900 peak 1188 weight 0.10000E+01 volume 0.20083E-03 ppm1 8.091 ppm2 4.347 CV 1
ASSI { 1190}
(( segid "PAH2" and resid 19 and name HN ))
(( segid "PAH2" and resid 18 and name HB2 ))
2.900 1.000 1.000 peak 1190 weight 0.10000E+01 volume 0.18388E-02 ppm1 8.091 ppm2 1.210 CV 1
ASSI { 1191}
(( segid "PAH2" and resid 18 and name HN ))
(( segid "PAH2" and resid 18 and name HB3 ))
2.600 0.800 0.800 peak 1191 weight 0.10000E+01 volume 0.32649E-02 ppm1 8.359 ppm2 1.583 CV 1
ASSI { 1192}
(( segid "PAH2" and resid 31 and name HN ))
(( segid "PAH2" and resid 27 and name HA ))
4.400 2.400 1.600 peak 1192 weight 0.10000E+01 volume 0.13559E-03 ppm1 8.096 ppm2 3.674 CV 1
ASSI { 1194}
(( segid "PAH2" and resid 32 and name HN ))
(( segid "PAH2" and resid 31 and name HA ))
3.400 1.500 1.500 peak 1194 weight 0.10000E+01 volume 0.62919E-03 ppm1 7.634 ppm2 3.823 CV 1
ASSI { 1196}
(( segid "PAH2" and resid 35 and name HN ))
(( segid "PAH2" and resid 34 and name HA ))
3.700 1.700 1.700 peak 1196 weight 0.10000E+01 volume 0.39081E-03 ppm1 7.326 ppm2 3.670 CV 1
ASSI { 1197}
(( segid "PAH2" and resid 38 and name HN ))
(( segid "PAH2" and resid 34 and name HA ))
4.000 2.000 2.000 peak 1197 weight 0.10000E+01 volume 0.25319E-03 ppm1 8.185 ppm2 3.664 CV 1
ASSI { 1200}
(( segid "PAH2" and resid 38 and name HN ))
(( segid "PAH2" and resid 37 and name HB ))
2.800 0.900 0.900 peak 1200 weight 0.10000E+01 volume 0.23032E-02 ppm1 8.185 ppm2 4.411 CV 1
ASSI { 1201}
(( segid "PAH2" and resid 37 and name HN ))
(( segid "PAH2" and resid 36 and name HA ))
3.800 1.800 1.800 peak 1201 weight 0.10000E+01 volume 0.32899E-03 ppm1 8.553 ppm2 4.184 CV 1
ASSI { 1204}
(( segid "PAH2" and resid 39 and name HN ))
(( segid "PAH2" and resid 36 and name HA ))
3.500 1.500 1.500 peak 1204 weight 0.10000E+01 volume 0.57986E-03 ppm1 8.344 ppm2 4.184 CV 1
ASSI { 1206}
(( segid "PAH2" and resid 51 and name HN ))
(( segid "PAH2" and resid 51 and name HB3 ))
2.600 0.800 0.800 peak 1206 weight 0.10000E+01 volume 0.33885E-02 ppm1 8.332 ppm2 1.623 CV 1
ASSI { 1207}
(( segid "PAH2" and resid 52 and name HN ))
(( segid "PAH2" and resid 51 and name HB3 ))
3.200 1.300 1.300 peak 1207 weight 0.10000E+01 volume 0.96120E-03 ppm1 7.758 ppm2 1.634 CV 1
ASSI { 1208}
(( segid "PAH2" and resid 52 and name HN ))
(( segid "PAH2" and resid 51 and name HG3 ))
3.300 1.300 1.300 peak 1208 weight 0.10000E+01 volume 0.81725E-03 ppm1 7.758 ppm2 1.553 CV 1
OR { 1208}
(( segid "PAH2" and resid 52 and name HN ))
(( segid "PAH2" and resid 51 and name HG2 ))
ASSI { 1209}
(( segid "PAH2" and resid 59 and name HN ))
(( segid "PAH2" and resid 55 and name HA ))
4.500 2.500 1.500 peak 1209 weight 0.10000E+01 volume 0.12607E-03 ppm1 8.362 ppm2 3.807 CV 1
ASSI { 1210}
(( segid "PAH2" and resid 56 and name HN ))
(( segid "PAH2" and resid 55 and name HA ))
4.100 2.100 1.900 peak 1210 weight 0.10000E+01 volume 0.21285E-03 ppm1 8.831 ppm2 3.807 CV 1
ASSI { 1214}
(( segid "PAH2" and resid 60 and name HN ))
(( segid "PAH2" and resid 59 and name HB3 ))
2.700 0.900 0.900 peak 1214 weight 0.10000E+01 volume 0.25000E-02 ppm1 8.318 ppm2 3.268 CV 1
ASSI { 1215}
(( segid "PAH2" and resid 60 and name HN ))
(( segid "PAH2" and resid 59 and name HB2 ))
3.100 1.200 1.200 peak 1215 weight 0.10000E+01 volume 0.11859E-02 ppm1 8.318 ppm2 3.022 CV 1
ASSI { 1218}
(( segid "PAH2" and resid 59 and name HN ))
(( segid "PAH2" and resid 58 and name HA ))
5.600 4.000 0.400 peak 1218 weight 0.10000E+01 volume 0.31135E-04 ppm1 8.362 ppm2 3.554 CV 1
ASSI { 1220}
(( segid "PAH2" and resid 74 and name HN ))
(( segid "PAH2" and resid 73 and name HB3 ))
2.800 1.000 1.000 peak 1220 weight 0.10000E+01 volume 0.22805E-02 ppm1 8.316 ppm2 1.807 CV 1
ASSI { 1221}
(( segid "PAH2" and resid 74 and name HN ))
(( segid "PAH2" and resid 73 and name HB2 ))
2.500 0.800 0.800 peak 1221 weight 0.10000E+01 volume 0.38512E-02 ppm1 8.316 ppm2 2.032 CV 1
ASSI { 1222}
(( segid "PAH2" and resid 60 and name HN ))
( segid "PAH2" and resid 76 and name HE% )
3.400 1.500 1.500 peak 1222 weight 0.10000E+01 volume 0.61932E-03 ppm1 8.320 ppm2 7.107 CV 1
ASSI { 1224}
(( segid "PAH2" and resid 60 and name HN ))
( segid "PAH2" and resid 60 and name HG2%)
2.900 1.000 1.000 peak 1224 weight 0.10000E+01 volume 0.17251E-02 ppm1 8.318 ppm2 1.200 CV 1
ASSI { 1226}
(( segid "PAH2" and resid 69 and name HN ))
(( segid "PAH2" and resid 66 and name HB2 ))
4.700 2.700 1.300 peak 1226 weight 0.10000E+01 volume 0.94901E-04 ppm1 8.491 ppm2 2.866 CV 1
ASSI { 1228}
(( segid "PAH2" and resid 72 and name HN ))
(( segid "PAH2" and resid 71 and name HA ))
3.100 1.200 1.200 peak 1228 weight 0.10000E+01 volume 0.11655E-02 ppm1 7.775 ppm2 4.365 CV 1
ASSI { 1229}
(( segid "PAH2" and resid 73 and name HN ))
( segid "PAH2" and resid 72 and name HD2%)
5.400 3.700 0.600 peak 1229 weight 0.10000E+01 volume 0.39069E-04 ppm1 7.886 ppm2 0.460 CV 1
ASSI { 1230}
(( segid "PAH2" and resid 73 and name HN ))
( segid "PAH2" and resid 72 and name HD1%)
6.000 4.900 0.000 peak 1230 weight 0.10000E+01 volume 0.16693E-04 ppm1 7.886 ppm2 0.144 CV 1
ASSI { 1231}
(( segid "PAH2" and resid 73 and name HN ))
( segid "PAH2" and resid 66 and name HD% )
4.500 2.500 1.500 peak 1231 weight 0.10000E+01 volume 0.12375E-03 ppm1 7.887 ppm2 6.579 CV 1
ASSI { 1232}
(( segid "PAH2" and resid 74 and name HN ))
( segid "PAH2" and resid 73 and name HD2%)
3.400 1.400 1.400 peak 1232 weight 0.10000E+01 volume 0.65125E-03 ppm1 8.318 ppm2 0.797 CV 1
OR { 1232}
(( segid "PAH2" and resid 74 and name HN ))
( segid "PAH2" and resid 73 and name HD1%)
ASSI { 1234}
(( segid "PAH2" and resid 79 and name HN ))
( segid "PAH2" and resid 79 and name HD% )
2.600 0.800 0.800 peak 1234 weight 0.10000E+01 volume 0.32882E-02 ppm1 7.621 ppm2 7.120 CV 1
ASSI { 1239}
(( segid "PAH2" and resid 21 and name HN ))
( segid "PAH2" and resid 21 and name HE% )
3.500 1.500 1.500 peak 1239 weight 0.10000E+01 volume 0.57951E-03 ppm1 7.210 ppm2 6.875 CV 1
ASSI { 1242}
(( segid "PAH2" and resid 8 and name HN ))
( segid "PAH2" and resid 11 and name HD1%)
4.900 3.000 1.100 peak 1242 weight 0.10000E+01 volume 0.75225E-04 ppm1 8.390 ppm2 0.351 CV 1
ASSI { 1248}
(( segid "PAH2" and resid 42 and name HE21))
(( segid "PAH2" and resid 42 and name HE22))
1.900 0.500 0.500 peak 1248 weight 0.10000E+01 volume 0.18969E-01 ppm1 6.787 ppm2 6.971 CV 1
ASSI { 1250}
(( segid "PAH2" and resid 42 and name HE21))
(( segid "PAH2" and resid 42 and name HA ))
3.800 1.800 1.800 peak 1250 weight 0.10000E+01 volume 0.35267E-03 ppm1 6.787 ppm2 4.056 CV 1
ASSI { 1251}
(( segid "PAH2" and resid 42 and name HE21))
(( segid "PAH2" and resid 42 and name HB3 ))
2.700 0.900 0.900 peak 1251 weight 0.10000E+01 volume 0.25684E-02 ppm1 6.787 ppm2 2.078 CV 1
ASSI { 1252}
(( segid "PAH2" and resid 42 and name HE21))
(( segid "PAH2" and resid 42 and name HB2 ))
3.300 1.400 1.400 peak 1252 weight 0.10000E+01 volume 0.78881E-03 ppm1 6.787 ppm2 1.907 CV 1
ASSI { 1254}
(( segid "PAH2" and resid 42 and name HE22))
(( segid "PAH2" and resid 42 and name HA ))
4.000 2.000 2.000 peak 1254 weight 0.10000E+01 volume 0.25945E-03 ppm1 6.992 ppm2 4.056 CV 1
ASSI { 1256}
(( segid "PAH2" and resid 42 and name HE22))
(( segid "PAH2" and resid 42 and name HB2 ))
3.300 1.300 1.300 peak 1256 weight 0.10000E+01 volume 0.79926E-03 ppm1 6.992 ppm2 1.920 CV 1
ASSI { 1259}
(( segid "PAH2" and resid 64 and name HD22))
(( segid "PAH2" and resid 64 and name HD21))
1.800 0.400 0.400 peak 1259 weight 0.10000E+01 volume 0.34350E-01 ppm1 6.903 ppm2 7.657 CV 1
ASSI { 1261}
(( segid "PAH2" and resid 64 and name HD22))
(( segid "PAH2" and resid 64 and name HA ))
4.000 2.000 2.000 peak 1261 weight 0.10000E+01 volume 0.25278E-03 ppm1 6.903 ppm2 4.399 CV 1
ASSI { 1262}
(( segid "PAH2" and resid 64 and name HD22))
(( segid "PAH2" and resid 61 and name HA ))
3.400 1.400 1.400 peak 1262 weight 0.10000E+01 volume 0.68085E-03 ppm1 6.903 ppm2 4.043 CV 1
ASSI { 1263}
(( segid "PAH2" and resid 64 and name HD22))
(( segid "PAH2" and resid 64 and name HB2 ))
2.700 0.900 0.900 peak 1263 weight 0.10000E+01 volume 0.27228E-02 ppm1 6.903 ppm2 2.764 CV 1
ASSI { 1268}
(( segid "PAH2" and resid 64 and name HD21))
(( segid "PAH2" and resid 61 and name HA ))
3.200 1.300 1.300 peak 1268 weight 0.10000E+01 volume 0.10012E-02 ppm1 7.680 ppm2 4.043 CV 1
ASSI { 1269}
(( segid "PAH2" and resid 64 and name HD21))
(( segid "PAH2" and resid 60 and name HA ))
5.200 3.400 0.800 peak 1269 weight 0.10000E+01 volume 0.51699E-04 ppm1 7.680 ppm2 3.753 CV 1
ASSI { 1272}
(( segid "PAH2" and resid 64 and name HD21))
(( segid "PAH2" and resid 57 and name HG3 ))
5.800 4.200 0.200 peak 1272 weight 0.10000E+01 volume 0.27129E-04 ppm1 7.680 ppm2 2.329 CV 1
OR { 1272}
(( segid "PAH2" and resid 64 and name HD21))
(( segid "PAH2" and resid 57 and name HG2 ))
ASSI { 1279}
(( segid "PAH2" and resid 9 and name HD22))
(( segid "PAH2" and resid 9 and name HD21))
1.800 0.400 0.400 peak 1279 weight 0.10000E+01 volume 0.33288E-01 ppm1 7.881 ppm2 6.879 CV 1
ASSI { 1280}
(( segid "PAH2" and resid 9 and name HD22))
(( segid "PAH2" and resid 9 and name HA ))
3.500 1.500 1.500 peak 1280 weight 0.10000E+01 volume 0.56052E-03 ppm1 7.881 ppm2 4.571 CV 1
ASSI { 1281}
(( segid "PAH2" and resid 9 and name HD22))
(( segid "PAH2" and resid 6 and name HA ))
3.100 1.200 1.200 peak 1281 weight 0.10000E+01 volume 0.10889E-02 ppm1 7.881 ppm2 4.188 CV 1
ASSI { 1282}
(( segid "PAH2" and resid 9 and name HD22))
(( segid "PAH2" and resid 9 and name HB2 ))
2.700 0.900 0.900 peak 1282 weight 0.10000E+01 volume 0.24431E-02 ppm1 7.881 ppm2 3.094 CV 1
ASSI { 1283}
(( segid "PAH2" and resid 9 and name HD22))
(( segid "PAH2" and resid 9 and name HB3 ))
2.700 0.900 0.900 peak 1283 weight 0.10000E+01 volume 0.25034E-02 ppm1 7.881 ppm2 2.988 CV 1
ASSI { 1284}
(( segid "PAH2" and resid 9 and name HD22))
(( segid "PAH2" and resid 6 and name HG2 ))
6.000 5.100 0.000 peak 1284 weight 0.10000E+01 volume 0.15143E-04 ppm1 7.881 ppm2 2.342 CV 1
OR { 1284}
(( segid "PAH2" and resid 9 and name HD22))
(( segid "PAH2" and resid 6 and name HG3 ))
ASSI { 1286}
(( segid "PAH2" and resid 9 and name HD22))
( segid "PAH2" and resid 5 and name HG1%)
3.200 1.200 1.200 peak 1286 weight 0.10000E+01 volume 0.10274E-02 ppm1 7.881 ppm2 0.904 CV 1
ASSI { 1288}
(( segid "PAH2" and resid 9 and name HD21))
(( segid "PAH2" and resid 9 and name HA ))
4.000 2.000 2.000 peak 1288 weight 0.10000E+01 volume 0.23223E-03 ppm1 6.905 ppm2 4.571 CV 1
ASSI { 1289}
(( segid "PAH2" and resid 9 and name HD21))
(( segid "PAH2" and resid 6 and name HA ))
3.400 1.500 1.500 peak 1289 weight 0.10000E+01 volume 0.63325E-03 ppm1 6.905 ppm2 4.188 CV 1
ASSI { 1296}
(( segid "PAH2" and resid 8 and name HD22))
(( segid "PAH2" and resid 8 and name HD21))
1.800 0.400 0.400 peak 1296 weight 0.10000E+01 volume 0.32371E-01 ppm1 7.001 ppm2 7.538 CV 1
ASSI { 1299}
(( segid "PAH2" and resid 8 and name HD21))
(( segid "PAH2" and resid 8 and name HB3 ))
2.800 1.000 1.000 peak 1299 weight 0.10000E+01 volume 0.21737E-02 ppm1 7.569 ppm2 2.922 CV 1
ASSI { 1300}
(( segid "PAH2" and resid 8 and name HD21))
(( segid "PAH2" and resid 8 and name HB2 ))
2.900 1.100 1.100 peak 1300 weight 0.10000E+01 volume 0.16014E-02 ppm1 7.569 ppm2 2.751 CV 1
ASSI { 1301}
(( segid "PAH2" and resid 8 and name HD22))
(( segid "PAH2" and resid 5 and name HA ))
4.100 2.100 1.900 peak 1301 weight 0.10000E+01 volume 0.22741E-03 ppm1 7.001 ppm2 3.819 CV 1
ASSI { 1302}
(( segid "PAH2" and resid 8 and name HD22))
(( segid "PAH2" and resid 8 and name HB3 ))
3.000 1.100 1.100 peak 1302 weight 0.10000E+01 volume 0.13861E-02 ppm1 7.001 ppm2 2.909 CV 1
ASSI { 1303}
(( segid "PAH2" and resid 8 and name HD22))
(( segid "PAH2" and resid 8 and name HB2 ))
3.100 1.200 1.200 peak 1303 weight 0.10000E+01 volume 0.10988E-02 ppm1 7.001 ppm2 2.751 CV 1
ASSI { 1307}
(( segid "PAH2" and resid 15 and name HD21))
(( segid "PAH2" and resid 15 and name HN ))
4.400 2.400 1.600 peak 1307 weight 0.10000E+01 volume 0.13930E-03 ppm1 7.465 ppm2 8.567 CV 1
ASSI { 1310}
(( segid "PAH2" and resid 15 and name HD21))
(( segid "PAH2" and resid 15 and name HA ))
5.300 3.600 0.700 peak 1310 weight 0.10000E+01 volume 0.43771E-04 ppm1 7.465 ppm2 4.360 CV 1
ASSI { 1311}
(( segid "PAH2" and resid 15 and name HD21))
(( segid "PAH2" and resid 12 and name HA ))
5.000 3.200 1.000 peak 1311 weight 0.10000E+01 volume 0.62222E-04 ppm1 7.465 ppm2 4.149 CV 1
ASSI { 1312}
(( segid "PAH2" and resid 15 and name HD21))
(( segid "PAH2" and resid 15 and name HB2 ))
2.500 0.800 0.800 peak 1312 weight 0.10000E+01 volume 0.37263E-02 ppm1 7.465 ppm2 2.751 CV 1
OR { 1312}
(( segid "PAH2" and resid 15 and name HD21))
(( segid "PAH2" and resid 15 and name HB3 ))
ASSI { 1313}
(( segid "PAH2" and resid 15 and name HD21))
( segid "PAH2" and resid 19 and name HG2%)
5.200 3.400 0.800 peak 1313 weight 0.10000E+01 volume 0.50736E-04 ppm1 7.465 ppm2 1.129 CV 1
ASSI { 1314}
(( segid "PAH2" and resid 15 and name HD21))
( segid "PAH2" and resid 11 and name HG2%)
2.900 1.100 1.100 peak 1314 weight 0.10000E+01 volume 0.16682E-02 ppm1 7.465 ppm2 0.891 CV 1
ASSI { 1315}
(( segid "PAH2" and resid 15 and name HD22))
(( segid "PAH2" and resid 15 and name HD21))
1.800 0.400 0.400 peak 1315 weight 0.10000E+01 volume 0.31988E-01 ppm1 6.747 ppm2 7.446 CV 1
ASSI { 1318}
(( segid "PAH2" and resid 15 and name HD22))
(( segid "PAH2" and resid 15 and name HB3 ))
2.700 0.900 0.900 peak 1318 weight 0.10000E+01 volume 0.23403E-02 ppm1 6.747 ppm2 2.738 CV 1
ASSI { 1320}
(( segid "PAH2" and resid 15 and name HD22))
( segid "MAD1" and resid 212 and name HD2%)
3.100 1.200 1.200 peak 1320 weight 0.10000E+01 volume 0.12346E-02 ppm1 6.747 ppm2 0.904 CV 1
OR { 1320}
(( segid "PAH2" and resid 15 and name HD22))
( segid "MAD1" and resid 212 and name HD1%)
ASSI { 1328}
(( segid "PAH2" and resid 78 and name HE21))
(( segid "PAH2" and resid 75 and name HA ))
3.200 1.300 1.300 peak 1328 weight 0.10000E+01 volume 0.98906E-03 ppm1 7.441 ppm2 4.043 CV 1
ASSI { 1329}
(( segid "PAH2" and resid 78 and name HE21))
(( segid "PAH2" and resid 75 and name HG2 ))
4.500 2.500 1.500 peak 1329 weight 0.10000E+01 volume 0.12834E-03 ppm1 7.441 ppm2 2.316 CV 1
ASSI { 1330}
(( segid "PAH2" and resid 78 and name HE21))
(( segid "PAH2" and resid 78 and name HG3 ))
2.500 0.800 0.800 peak 1330 weight 0.10000E+01 volume 0.43329E-02 ppm1 7.441 ppm2 1.946 CV 1
ASSI { 1331}
(( segid "PAH2" and resid 78 and name HE21))
(( segid "PAH2" and resid 78 and name HB3 ))
2.900 1.100 1.100 peak 1331 weight 0.10000E+01 volume 0.16258E-02 ppm1 7.441 ppm2 1.551 CV 1
OR { 1331}
(( segid "PAH2" and resid 78 and name HE21))
(( segid "PAH2" and resid 78 and name HG2 ))
ASSI { 1332}
(( segid "PAH2" and resid 78 and name HE22))
(( segid "PAH2" and resid 78 and name HE21))
1.800 0.400 0.400 peak 1332 weight 0.10000E+01 volume 0.31848E-01 ppm1 6.953 ppm2 7.419 CV 1
ASSI { 1333}
(( segid "PAH2" and resid 78 and name HE22))
(( segid "PAH2" and resid 75 and name HA ))
3.600 1.600 1.600 peak 1333 weight 0.10000E+01 volume 0.45239E-03 ppm1 6.953 ppm2 4.043 CV 1
ASSI { 1334}
(( segid "PAH2" and resid 78 and name HE22))
(( segid "PAH2" and resid 78 and name HG3 ))
2.900 1.000 1.000 peak 1334 weight 0.10000E+01 volume 0.18469E-02 ppm1 6.953 ppm2 1.946 CV 1
ASSI { 1335}
(( segid "PAH2" and resid 78 and name HE22))
(( segid "PAH2" and resid 78 and name HG2 ))
3.400 1.400 1.400 peak 1335 weight 0.10000E+01 volume 0.64486E-03 ppm1 6.953 ppm2 1.564 CV 1
OR { 1335}
(( segid "PAH2" and resid 78 and name HE22))
(( segid "PAH2" and resid 78 and name HB3 ))
ASSI { 1338}
(( segid "PAH2" and resid 69 and name HE21))
(( segid "PAH2" and resid 69 and name HE22))
1.900 0.500 0.500 peak 1338 weight 0.10000E+01 volume 0.20159E-01 ppm1 7.528 ppm2 6.760 CV 1
ASSI { 1339}
(( segid "PAH2" and resid 69 and name HE21))
(( segid "PAH2" and resid 69 and name HG3 ))
2.600 0.800 0.800 peak 1339 weight 0.10000E+01 volume 0.36063E-02 ppm1 7.528 ppm2 2.236 CV 1
OR { 1339}
(( segid "PAH2" and resid 69 and name HE21))
(( segid "PAH2" and resid 69 and name HG2 ))
ASSI { 1341}
(( segid "PAH2" and resid 69 and name HE22))
(( segid "PAH2" and resid 69 and name HG3 ))
2.700 0.900 0.900 peak 1341 weight 0.10000E+01 volume 0.27014E-02 ppm1 6.779 ppm2 2.236 CV 1
OR { 1341}
(( segid "PAH2" and resid 69 and name HE22))
(( segid "PAH2" and resid 69 and name HG2 ))
ASSI { 1342}
(( segid "PAH2" and resid 69 and name HE22))
(( segid "PAH2" and resid 69 and name HB2 ))
4.000 2.000 2.000 peak 1342 weight 0.10000E+01 volume 0.24163E-03 ppm1 6.779 ppm2 1.854 CV 1
OR { 1342}
(( segid "PAH2" and resid 69 and name HE22))
(( segid "PAH2" and resid 69 and name HB3 ))
ASSI { 1346}
(( segid "PAH2" and resid 39 and name HE22))
(( segid "PAH2" and resid 39 and name HE21))
1.800 0.400 0.400 peak 1346 weight 0.10000E+01 volume 0.30298E-01 ppm1 7.386 ppm2 6.813 CV 1
ASSI { 1348}
(( segid "PAH2" and resid 39 and name HE22))
(( segid "PAH2" and resid 39 and name HG3 ))
2.600 0.800 0.800 peak 1348 weight 0.10000E+01 volume 0.34890E-02 ppm1 7.386 ppm2 2.355 CV 1
OR { 1348}
(( segid "PAH2" and resid 39 and name HE22))
(( segid "PAH2" and resid 39 and name HG2 ))
ASSI { 1350}
(( segid "PAH2" and resid 39 and name HE22))
( segid "PAH2" and resid 43 and name HD2%)
4.300 2.300 1.700 peak 1350 weight 0.10000E+01 volume 0.16636E-03 ppm1 7.386 ppm2 0.865 CV 1
OR { 1350}
(( segid "PAH2" and resid 39 and name HE22))
( segid "PAH2" and resid 43 and name HD1%)
ASSI { 1351}
(( segid "PAH2" and resid 39 and name HE22))
( segid "MAD1" and resid 206 and name HD1%)
5.000 3.100 1.000 peak 1351 weight 0.10000E+01 volume 0.65821E-04 ppm1 7.386 ppm2 0.548 CV 1
ASSI { 1354}
(( segid "PAH2" and resid 39 and name HE21))
(( segid "PAH2" and resid 39 and name HG3 ))
2.700 0.900 0.900 peak 1354 weight 0.10000E+01 volume 0.27803E-02 ppm1 6.826 ppm2 2.355 CV 1
OR { 1354}
(( segid "PAH2" and resid 39 and name HE21))
(( segid "PAH2" and resid 39 and name HG2 ))
ASSI { 1355}
(( segid "PAH2" and resid 39 and name HE21))
(( segid "PAH2" and resid 39 and name HB2 ))
2.900 1.100 1.100 peak 1355 weight 0.10000E+01 volume 0.16786E-02 ppm1 6.826 ppm2 2.091 CV 1
ASSI { 1356}
(( segid "PAH2" and resid 39 and name HE21))
( segid "PAH2" and resid 43 and name HD1%)
5.000 3.200 1.000 peak 1356 weight 0.10000E+01 volume 0.61758E-04 ppm1 6.826 ppm2 0.878 CV 1
OR { 1356}
(( segid "PAH2" and resid 39 and name HE21))
( segid "PAH2" and resid 43 and name HD2%)
ASSI { 1357}
(( segid "PAH2" and resid 39 and name HE21))
( segid "MAD1" and resid 206 and name HD2%)
4.500 2.500 1.500 peak 1357 weight 0.10000E+01 volume 0.12410E-03 ppm1 6.826 ppm2 0.562 CV 1
ASSI { 1358}
(( segid "PAH2" and resid 8 and name HD22))
(( segid "PAH2" and resid 8 and name HN ))
3.500 1.600 1.600 peak 1358 weight 0.10000E+01 volume 0.51496E-03 ppm1 7.001 ppm2 8.366 CV 1
ASSI { 1359}
(( segid "PAH2" and resid 8 and name HD21))
(( segid "PAH2" and resid 8 and name HN ))
3.300 1.400 1.400 peak 1359 weight 0.10000E+01 volume 0.78532E-03 ppm1 7.569 ppm2 8.366 CV 1
ASSI { 1362}
(( segid "PAH2" and resid 9 and name HN ))
(( segid "PAH2" and resid 9 and name HD22))
3.900 1.900 1.900 peak 1362 weight 0.10000E+01 volume 0.30229E-03 ppm1 8.374 ppm2 7.878 CV 1
ASSI { 1363}
(( segid "PAH2" and resid 9 and name HN ))
(( segid "PAH2" and resid 9 and name HD21))
3.800 1.800 1.800 peak 1363 weight 0.10000E+01 volume 0.34350E-03 ppm1 8.374 ppm2 6.883 CV 1
ASSI { 1364}
(( segid "PAH2" and resid 39 and name HE21))
(( segid "PAH2" and resid 39 and name HA ))
3.600 1.700 1.700 peak 1364 weight 0.10000E+01 volume 0.43161E-03 ppm1 6.826 ppm2 3.896 CV 1
ASSI { 1365}
(( segid "PAH2" and resid 39 and name HE22))
(( segid "PAH2" and resid 39 and name HA ))
3.500 1.600 1.600 peak 1365 weight 0.10000E+01 volume 0.52257E-03 ppm1 7.386 ppm2 3.896 CV 1
ASSI { 1366}
(( segid "PAH2" and resid 42 and name HE21))
(( segid "PAH2" and resid 39 and name HN ))
4.300 2.300 1.700 peak 1366 weight 0.10000E+01 volume 0.16299E-03 ppm1 6.787 ppm2 8.323 CV 1
ASSI { 589}
(( segid "PAH2" and resid 4 and name HA ))
(( segid "PAH2" and resid 5 and name HN ))
2.000 0.500 0.500 peak 589 weight 0.10000E+01 volume 0.14975E-01 ppm1 4.532 ppm2 8.425 CV 1
ASSI { 590}
(( segid "PAH2" and resid 4 and name HA ))
(( segid "PAH2" and resid 6 and name HN ))
2.900 1.100 1.100 peak 590 weight 0.10000E+01 volume 0.15096E-02 ppm1 4.532 ppm2 8.597 CV 1
ASSI { 591}
(( segid "PAH2" and resid 4 and name HA ))
(( segid "PAH2" and resid 4 and name HB3 ))
2.000 0.500 0.500 peak 591 weight 0.10000E+01 volume 0.16411E-01 ppm1 4.533 ppm2 4.046 CV 1
OR { 591}
(( segid "PAH2" and resid 4 and name HA ))
(( segid "PAH2" and resid 4 and name HB2 ))
ASSI { 592}
(( segid "PAH2" and resid 4 and name HA ))
(( segid "PAH2" and resid 7 and name HB3 ))
3.500 1.600 1.600 peak 592 weight 0.10000E+01 volume 0.49985E-03 ppm1 4.532 ppm2 3.304 CV 1
ASSI { 593}
(( segid "PAH2" and resid 4 and name HA ))
(( segid "PAH2" and resid 7 and name HB2 ))
3.700 1.700 1.700 peak 593 weight 0.10000E+01 volume 0.39038E-03 ppm1 4.532 ppm2 3.017 CV 1
ASSI { 596}
(( segid "PAH2" and resid 4 and name HB3 ))
(( segid "PAH2" and resid 7 and name HB3 ))
4.000 2.000 2.000 peak 596 weight 0.10000E+01 volume 0.24119E-03 ppm1 4.004 ppm2 3.281 CV 1
ASSI { 597}
(( segid "PAH2" and resid 4 and name HB3 ))
(( segid "PAH2" and resid 7 and name HB2 ))
3.300 1.300 1.300 peak 597 weight 0.10000E+01 volume 0.78572E-03 ppm1 4.004 ppm2 3.040 CV 1
ASSI { 598}
(( segid "PAH2" and resid 4 and name HB3 ))
(( segid "PAH2" and resid 5 and name HB ))
4.100 2.100 1.900 peak 598 weight 0.10000E+01 volume 0.20354E-03 ppm1 4.004 ppm2 2.083 CV 1
ASSI { 599}
(( segid "PAH2" and resid 4 and name HB3 ))
( segid "PAH2" and resid 5 and name HG2%)
3.800 1.800 1.800 peak 599 weight 0.10000E+01 volume 0.30882E-03 ppm1 4.003 ppm2 1.030 CV 1
ASSI { 600}
(( segid "PAH2" and resid 4 and name HB2 ))
(( segid "PAH2" and resid 7 and name HB3 ))
4.700 2.700 1.300 peak 600 weight 0.10000E+01 volume 0.91218E-04 ppm1 4.078 ppm2 3.270 CV 1
ASSI { 601}
(( segid "PAH2" and resid 4 and name HB2 ))
(( segid "PAH2" and resid 7 and name HB2 ))
3.700 1.700 1.700 peak 601 weight 0.10000E+01 volume 0.39939E-03 ppm1 4.078 ppm2 3.017 CV 1
ASSI { 602}
(( segid "PAH2" and resid 4 and name HB2 ))
(( segid "PAH2" and resid 5 and name HB ))
3.700 1.700 1.700 peak 602 weight 0.10000E+01 volume 0.38498E-03 ppm1 4.079 ppm2 2.083 CV 1
ASSI { 603}
(( segid "PAH2" and resid 4 and name HB2 ))
(( segid "PAH2" and resid 4 and name HA ))
2.200 0.600 0.600 peak 603 weight 0.10000E+01 volume 0.75447E-02 ppm1 4.078 ppm2 4.532 CV 1
ASSI { 606}
(( segid "PAH2" and resid 4 and name HB2 ))
(( segid "PAH2" and resid 5 and name HN ))
2.700 0.900 0.900 peak 606 weight 0.10000E+01 volume 0.22968E-02 ppm1 4.078 ppm2 8.425 CV 1
ASSI { 607}
(( segid "PAH2" and resid 4 and name HB2 ))
(( segid "PAH2" and resid 6 and name HN ))
3.000 1.100 1.100 peak 607 weight 0.10000E+01 volume 0.12710E-02 ppm1 4.078 ppm2 8.586 CV 1
ASSI { 608}
(( segid "PAH2" and resid 4 and name HB3 ))
(( segid "PAH2" and resid 4 and name HN ))
2.500 0.800 0.800 peak 608 weight 0.10000E+01 volume 0.36899E-02 ppm1 4.004 ppm2 8.173 CV 1
ASSI { 610}
(( segid "PAH2" and resid 4 and name HB3 ))
(( segid "PAH2" and resid 6 and name HN ))
3.000 1.100 1.100 peak 610 weight 0.10000E+01 volume 0.12681E-02 ppm1 4.004 ppm2 8.586 CV 1
ASSI { 613}
(( segid "PAH2" and resid 5 and name HA ))
(( segid "PAH2" and resid 5 and name HB ))
2.400 0.700 0.700 peak 613 weight 0.10000E+01 volume 0.54319E-02 ppm1 3.855 ppm2 2.083 CV 1
ASSI { 614}
(( segid "PAH2" and resid 5 and name HA ))
( segid "PAH2" and resid 5 and name HG2%)
2.000 0.500 0.500 peak 614 weight 0.10000E+01 volume 0.14478E-01 ppm1 3.855 ppm2 1.030 CV 1
ASSI { 615}
(( segid "PAH2" and resid 5 and name HA ))
( segid "PAH2" and resid 5 and name HG1%)
2.200 0.600 0.600 peak 615 weight 0.10000E+01 volume 0.85606E-02 ppm1 3.855 ppm2 0.935 CV 1
ASSI { 617}
(( segid "PAH2" and resid 5 and name HA ))
(( segid "PAH2" and resid 8 and name HD21))
3.500 1.500 1.500 peak 617 weight 0.10000E+01 volume 0.54396E-03 ppm1 3.855 ppm2 7.598 CV 1
ASSI { 618}
(( segid "PAH2" and resid 5 and name HA ))
(( segid "PAH2" and resid 5 and name HN ))
2.300 0.700 0.700 peak 618 weight 0.10000E+01 volume 0.57494E-02 ppm1 3.855 ppm2 8.425 CV 1
ASSI { 620}
(( segid "PAH2" and resid 5 and name HB ))
( segid "PAH2" and resid 5 and name HG2%)
2.000 0.500 0.500 peak 620 weight 0.10000E+01 volume 0.15090E-01 ppm1 2.083 ppm2 1.030 CV 1
ASSI { 624}
(( segid "PAH2" and resid 5 and name HB ))
(( segid "PAH2" and resid 6 and name HN ))
2.500 0.800 0.800 peak 624 weight 0.10000E+01 volume 0.40046E-02 ppm1 2.083 ppm2 8.610 CV 1
ASSI { 625}
( segid "PAH2" and resid 5 and name HG1%)
(( segid "PAH2" and resid 5 and name HB ))
2.000 0.500 0.500 peak 625 weight 0.10000E+01 volume 0.16070E-01 ppm1 0.935 ppm2 2.083 CV 1
ASSI { 627}
( segid "PAH2" and resid 5 and name HG1%)
(( segid "PAH2" and resid 6 and name HA ))
3.100 1.200 1.200 peak 627 weight 0.10000E+01 volume 0.10869E-02 ppm1 0.935 ppm2 4.222 CV 1
ASSI { 628}
( segid "PAH2" and resid 5 and name HG1%)
(( segid "PAH2" and resid 9 and name HD21))
2.500 0.800 0.800 peak 628 weight 0.10000E+01 volume 0.36075E-02 ppm1 0.935 ppm2 6.922 CV 1
ASSI { 631}
( segid "PAH2" and resid 5 and name HG1%)
(( segid "PAH2" and resid 6 and name HN ))
2.700 0.900 0.900 peak 631 weight 0.10000E+01 volume 0.25490E-02 ppm1 0.935 ppm2 8.610 CV 1
ASSI { 636}
( segid "PAH2" and resid 5 and name HG2%)
(( segid "PAH2" and resid 6 and name HN ))
2.900 1.100 1.100 peak 636 weight 0.10000E+01 volume 0.15345E-02 ppm1 1.030 ppm2 8.610 CV 1
ASSI { 644}
(( segid "PAH2" and resid 6 and name HB2 ))
(( segid "PAH2" and resid 6 and name HN ))
2.200 0.600 0.600 peak 644 weight 0.10000E+01 volume 0.76867E-02 ppm1 2.062 ppm2 8.599 CV 1
ASSI { 645}
(( segid "PAH2" and resid 6 and name HG3 ))
(( segid "PAH2" and resid 6 and name HN ))
2.200 0.600 0.600 peak 645 weight 0.10000E+01 volume 0.79852E-02 ppm1 2.371 ppm2 8.611 CV 1
ASSI { 646}
(( segid "PAH2" and resid 7 and name HA ))
( segid "PAH2" and resid 7 and name HD% )
2.300 0.700 0.700 peak 646 weight 0.10000E+01 volume 0.59639E-02 ppm1 4.541 ppm2 7.213 CV 1
ASSI { 648}
(( segid "PAH2" and resid 7 and name HA ))
(( segid "PAH2" and resid 8 and name HN ))
2.700 0.900 0.900 peak 648 weight 0.10000E+01 volume 0.22591E-02 ppm1 4.541 ppm2 8.405 CV 1
ASSI { 649}
(( segid "PAH2" and resid 7 and name HA ))
(( segid "PAH2" and resid 7 and name HN ))
2.600 0.800 0.800 peak 649 weight 0.10000E+01 volume 0.33588E-02 ppm1 4.541 ppm2 8.553 CV 1
ASSI { 650}
(( segid "PAH2" and resid 7 and name HA ))
(( segid "PAH2" and resid 7 and name HB2 ))
2.600 0.800 0.800 peak 650 weight 0.10000E+01 volume 0.31862E-02 ppm1 4.541 ppm2 3.031 CV 1
ASSI { 651}
(( segid "PAH2" and resid 7 and name HA ))
(( segid "PAH2" and resid 7 and name HB3 ))
2.500 0.800 0.800 peak 651 weight 0.10000E+01 volume 0.36694E-02 ppm1 4.541 ppm2 3.295 CV 1
ASSI { 652}
(( segid "PAH2" and resid 7 and name HA ))
( segid "PAH2" and resid 10 and name HB% )
2.300 0.700 0.700 peak 652 weight 0.10000E+01 volume 0.65636E-02 ppm1 4.541 ppm2 1.450 CV 1
ASSI { 658}
(( segid "PAH2" and resid 7 and name HB3 ))
( segid "PAH2" and resid 7 and name HD% )
2.400 0.700 0.700 peak 658 weight 0.10000E+01 volume 0.52479E-02 ppm1 3.288 ppm2 7.201 CV 1
ASSI { 660}
(( segid "PAH2" and resid 8 and name HA ))
(( segid "PAH2" and resid 8 and name HB3 ))
2.400 0.700 0.700 peak 660 weight 0.10000E+01 volume 0.54837E-02 ppm1 4.340 ppm2 2.930 CV 1
ASSI { 661}
(( segid "PAH2" and resid 8 and name HA ))
(( segid "PAH2" and resid 8 and name HB2 ))
2.200 0.600 0.600 peak 661 weight 0.10000E+01 volume 0.79496E-02 ppm1 4.340 ppm2 2.804 CV 1
ASSI { 662}
(( segid "PAH2" and resid 8 and name HA ))
(( segid "PAH2" and resid 11 and name HG13))
2.700 0.900 0.900 peak 662 weight 0.10000E+01 volume 0.22783E-02 ppm1 4.338 ppm2 0.515 CV 1
ASSI { 664}
(( segid "PAH2" and resid 8 and name HA ))
( segid "PAH2" and resid 11 and name HG2%)
2.900 1.100 1.100 peak 664 weight 0.10000E+01 volume 0.15281E-02 ppm1 4.337 ppm2 0.917 CV 1
ASSI { 665}
(( segid "PAH2" and resid 8 and name HA ))
(( segid "PAH2" and resid 11 and name HG12))
3.200 1.300 1.300 peak 665 weight 0.10000E+01 volume 0.88589E-03 ppm1 4.337 ppm2 1.135 CV 1
ASSI { 667}
(( segid "PAH2" and resid 8 and name HA ))
(( segid "PAH2" and resid 11 and name HN ))
2.400 0.700 0.700 peak 667 weight 0.10000E+01 volume 0.48876E-02 ppm1 4.340 ppm2 8.292 CV 1
ASSI { 668}
(( segid "PAH2" and resid 8 and name HB2 ))
(( segid "PAH2" and resid 8 and name HB3 ))
1.800 0.400 0.400 peak 668 weight 0.10000E+01 volume 0.24389E-01 ppm1 2.788 ppm2 2.942 CV 1
ASSI { 675}
(( segid "PAH2" and resid 9 and name HA ))
(( segid "PAH2" and resid 9 and name HB2 ))
2.200 0.600 0.600 peak 675 weight 0.10000E+01 volume 0.80775E-02 ppm1 4.603 ppm2 2.999 CV 1
ASSI { 676}
(( segid "PAH2" and resid 9 and name HA ))
(( segid "PAH2" and resid 10 and name HN ))
3.200 1.300 1.300 peak 676 weight 0.10000E+01 volume 0.82764E-03 ppm1 4.603 ppm2 8.179 CV 1
ASSI { 679}
(( segid "PAH2" and resid 9 and name HB2 ))
(( segid "PAH2" and resid 9 and name HD21))
2.700 0.900 0.900 peak 679 weight 0.10000E+01 volume 0.23814E-02 ppm1 3.003 ppm2 6.917 CV 1
ASSI { 683}
(( segid "PAH2" and resid 9 and name HB2 ))
(( segid "PAH2" and resid 9 and name HB3 ))
1.800 0.400 0.400 peak 683 weight 0.10000E+01 volume 0.26911E-01 ppm1 3.003 ppm2 3.136 CV 1
ASSI { 685}
(( segid "PAH2" and resid 9 and name HB3 ))
(( segid "PAH2" and resid 9 and name HA ))
2.600 0.900 0.900 peak 685 weight 0.10000E+01 volume 0.30512E-02 ppm1 3.131 ppm2 4.603 CV 1
ASSI { 686}
(( segid "PAH2" and resid 9 and name HB3 ))
(( segid "PAH2" and resid 9 and name HD21))
2.600 0.900 0.900 peak 686 weight 0.10000E+01 volume 0.27813E-02 ppm1 3.131 ppm2 6.940 CV 1
ASSI { 688}
(( segid "PAH2" and resid 9 and name HB3 ))
(( segid "PAH2" and resid 10 and name HN ))
2.600 0.800 0.800 peak 688 weight 0.10000E+01 volume 0.32239E-02 ppm1 3.131 ppm2 8.189 CV 1
ASSI { 692}
(( segid "PAH2" and resid 10 and name HA ))
(( segid "PAH2" and resid 13 and name HB3 ))
2.900 1.000 1.000 peak 692 weight 0.10000E+01 volume 0.17214E-02 ppm1 4.123 ppm2 2.884 CV 1
ASSI { 693}
(( segid "PAH2" and resid 10 and name HA ))
( segid "PAH2" and resid 10 and name HB% )
2.000 0.500 0.500 peak 693 weight 0.10000E+01 volume 0.14911E-01 ppm1 4.123 ppm2 1.441 CV 1
ASSI { 696}
(( segid "PAH2" and resid 10 and name HA ))
( segid "MAD1" and resid 205 and name HD2%)
2.700 0.900 0.900 peak 696 weight 0.10000E+01 volume 0.24616E-02 ppm1 4.123 ppm2 0.208 CV 1
ASSI { 697}
( segid "PAH2" and resid 10 and name HB% )
( segid "MAD1" and resid 205 and name HD2%)
2.400 0.700 0.700 peak 697 weight 0.10000E+01 volume 0.48855E-02 ppm1 1.443 ppm2 0.202 CV 1
ASSI { 703}
( segid "PAH2" and resid 10 and name HB% )
(( segid "MAD1" and resid 205 and name HA ))
2.600 0.800 0.800 peak 703 weight 0.10000E+01 volume 0.32423E-02 ppm1 1.443 ppm2 3.938 CV 1
ASSI { 708}
( segid "PAH2" and resid 10 and name HB% )
(( segid "PAH2" and resid 10 and name HN ))
2.100 0.500 0.500 peak 708 weight 0.10000E+01 volume 0.11879E-01 ppm1 1.443 ppm2 8.200 CV 1
ASSI { 710}
( segid "PAH2" and resid 10 and name HB% )
( segid "MAD1" and resid 205 and name HD1%)
3.300 1.400 1.400 peak 710 weight 0.10000E+01 volume 0.71965E-03 ppm1 1.443 ppm2 0.883 CV 1
ASSI { 711}
(( segid "PAH2" and resid 11 and name HA ))
(( segid "PAH2" and resid 14 and name HB ))
3.200 1.300 1.300 peak 711 weight 0.10000E+01 volume 0.88945E-03 ppm1 3.438 ppm2 2.061 CV 1
ASSI { 712}
(( segid "PAH2" and resid 11 and name HA ))
(( segid "PAH2" and resid 11 and name HB ))
3.300 1.300 1.300 peak 712 weight 0.10000E+01 volume 0.80491E-03 ppm1 3.438 ppm2 1.773 CV 1
ASSI { 713}
(( segid "PAH2" and resid 11 and name HA ))
( segid "MAD1" and resid 208 and name HB% )
2.100 0.500 0.500 peak 713 weight 0.10000E+01 volume 0.12433E-01 ppm1 3.438 ppm2 1.302 CV 1
ASSI { 714}
(( segid "PAH2" and resid 11 and name HA ))
(( segid "PAH2" and resid 11 and name HG12))
2.500 0.800 0.800 peak 714 weight 0.10000E+01 volume 0.40742E-02 ppm1 3.438 ppm2 1.154 CV 1
ASSI { 715}
(( segid "PAH2" and resid 11 and name HA ))
( segid "PAH2" and resid 11 and name HG2%)
2.400 0.700 0.700 peak 715 weight 0.10000E+01 volume 0.51995E-02 ppm1 3.438 ppm2 0.914 CV 1
ASSI { 722}
(( segid "PAH2" and resid 11 and name HB ))
(( segid "PAH2" and resid 8 and name HA ))
2.900 1.000 1.000 peak 722 weight 0.10000E+01 volume 0.16468E-02 ppm1 1.762 ppm2 4.328 CV 1
ASSI { 725}
(( segid "PAH2" and resid 11 and name HB ))
(( segid "PAH2" and resid 11 and name HG12))
2.900 1.100 1.100 peak 725 weight 0.10000E+01 volume 0.14812E-02 ppm1 1.762 ppm2 1.143 CV 1
ASSI { 727}
(( segid "PAH2" and resid 11 and name HB ))
( segid "PAH2" and resid 11 and name HD1%)
2.900 1.100 1.100 peak 727 weight 0.10000E+01 volume 0.15921E-02 ppm1 1.762 ppm2 0.374 CV 1
ASSI { 729}
( segid "PAH2" and resid 11 and name HG2%)
(( segid "PAH2" and resid 11 and name HG13))
2.300 0.600 0.600 peak 729 weight 0.10000E+01 volume 0.70261E-02 ppm1 0.898 ppm2 0.547 CV 1
ASSI { 730}
( segid "PAH2" and resid 11 and name HG2%)
(( segid "PAH2" and resid 11 and name HB ))
2.200 0.600 0.600 peak 730 weight 0.10000E+01 volume 0.96475E-02 ppm1 0.898 ppm2 1.762 CV 1
ASSI { 732}
( segid "PAH2" and resid 11 and name HG2%)
(( segid "PAH2" and resid 15 and name HB2 ))
2.700 0.900 0.900 peak 732 weight 0.10000E+01 volume 0.23884E-02 ppm1 0.898 ppm2 2.804 CV 1
ASSI { 737}
( segid "PAH2" and resid 11 and name HG2%)
( segid "MAD1" and resid 211 and name HE% )
2.800 1.000 1.000 peak 737 weight 0.10000E+01 volume 0.20488E-02 ppm1 0.898 ppm2 6.871 CV 1
ASSI { 738}
( segid "PAH2" and resid 11 and name HG2%)
( segid "MAD1" and resid 211 and name HD% )
2.700 0.900 0.900 peak 738 weight 0.10000E+01 volume 0.27422E-02 ppm1 0.898 ppm2 7.146 CV 1
ASSI { 740}
( segid "PAH2" and resid 11 and name HG2%)
(( segid "PAH2" and resid 12 and name HN ))
2.600 0.900 0.900 peak 740 weight 0.10000E+01 volume 0.29945E-02 ppm1 0.898 ppm2 8.029 CV 1
ASSI { 743}
(( segid "PAH2" and resid 11 and name HG13))
( segid "PAH2" and resid 11 and name HD1%)
2.300 0.600 0.600 peak 743 weight 0.10000E+01 volume 0.73031E-02 ppm1 0.547 ppm2 0.374 CV 1
ASSI { 746}
(( segid "PAH2" and resid 11 and name HG13))
(( segid "PAH2" and resid 11 and name HG12))
2.200 0.600 0.600 peak 746 weight 0.10000E+01 volume 0.88092E-02 ppm1 0.547 ppm2 1.143 CV 1
ASSI { 749}
(( segid "PAH2" and resid 11 and name HG13))
(( segid "PAH2" and resid 11 and name HA ))
3.000 1.100 1.100 peak 749 weight 0.10000E+01 volume 0.14549E-02 ppm1 0.547 ppm2 3.438 CV 1
ASSI { 757}
(( segid "PAH2" and resid 11 and name HG12))
(( segid "PAH2" and resid 11 and name HN ))
2.400 0.700 0.700 peak 757 weight 0.10000E+01 volume 0.45297E-02 ppm1 1.146 ppm2 8.267 CV 1
ASSI { 758}
( segid "PAH2" and resid 11 and name HD1%)
( segid "PAH2" and resid 11 and name HG2%)
1.900 0.400 0.400 peak 758 weight 0.10000E+01 volume 0.23699E-01 ppm1 0.374 ppm2 0.899 CV 1
ASSI { 759}
( segid "PAH2" and resid 11 and name HD1%)
(( segid "PAH2" and resid 11 and name HG12))
2.100 0.600 0.600 peak 759 weight 0.10000E+01 volume 0.10919E-01 ppm1 0.374 ppm2 1.164 CV 1
ASSI { 761}
( segid "PAH2" and resid 11 and name HD1%)
(( segid "PAH2" and resid 11 and name HA ))
2.600 0.800 0.800 peak 761 weight 0.10000E+01 volume 0.34022E-02 ppm1 0.374 ppm2 3.438 CV 1
ASSI { 762}
( segid "PAH2" and resid 11 and name HD1%)
(( segid "MAD1" and resid 208 and name HA ))
2.900 1.100 1.100 peak 762 weight 0.10000E+01 volume 0.14649E-02 ppm1 0.374 ppm2 4.110 CV 1
ASSI { 764}
( segid "PAH2" and resid 11 and name HD1%)
( segid "MAD1" and resid 211 and name HE% )
2.600 0.900 0.900 peak 764 weight 0.10000E+01 volume 0.29170E-02 ppm1 0.374 ppm2 6.876 CV 1
ASSI { 765}
( segid "PAH2" and resid 11 and name HD1%)
( segid "MAD1" and resid 211 and name HD% )
2.400 0.700 0.700 peak 765 weight 0.10000E+01 volume 0.52166E-02 ppm1 0.374 ppm2 7.148 CV 1
ASSI { 766}
( segid "PAH2" and resid 11 and name HD1%)
(( segid "PAH2" and resid 12 and name HN ))
3.500 1.500 1.500 peak 766 weight 0.10000E+01 volume 0.50810E-03 ppm1 0.374 ppm2 8.029 CV 1
ASSI { 767}
( segid "PAH2" and resid 11 and name HD1%)
(( segid "PAH2" and resid 11 and name HN ))
2.600 0.800 0.800 peak 767 weight 0.10000E+01 volume 0.32218E-02 ppm1 0.374 ppm2 8.282 CV 1
ASSI { 768}
(( segid "PAH2" and resid 12 and name HA ))
(( segid "PAH2" and resid 15 and name HB3 ))
2.400 0.700 0.700 peak 768 weight 0.10000E+01 volume 0.45915E-02 ppm1 4.193 ppm2 2.795 CV 1
ASSI { 774}
(( segid "PAH2" and resid 13 and name HA ))
( segid "PAH2" and resid 13 and name HD% )
2.300 0.600 0.600 peak 774 weight 0.10000E+01 volume 0.71184E-02 ppm1 4.445 ppm2 7.018 CV 1
ASSI { 775}
(( segid "PAH2" and resid 13 and name HA ))
( segid "PAH2" and resid 13 and name HE% )
3.300 1.400 1.400 peak 775 weight 0.10000E+01 volume 0.70808E-03 ppm1 4.445 ppm2 6.838 CV 1
ASSI { 776}
(( segid "PAH2" and resid 13 and name HA ))
(( segid "PAH2" and resid 13 and name HB2 ))
2.500 0.800 0.800 peak 776 weight 0.10000E+01 volume 0.35550E-02 ppm1 4.445 ppm2 3.490 CV 1
ASSI { 778}
(( segid "PAH2" and resid 13 and name HA ))
(( segid "PAH2" and resid 16 and name HB3 ))
2.700 0.900 0.900 peak 778 weight 0.10000E+01 volume 0.27557E-02 ppm1 4.445 ppm2 1.973 CV 1
OR { 778}
(( segid "PAH2" and resid 13 and name HA ))
(( segid "PAH2" and resid 16 and name HB2 ))
ASSI { 789}
(( segid "PAH2" and resid 14 and name HA ))
(( segid "PAH2" and resid 14 and name HB ))
2.900 1.100 1.100 peak 789 weight 0.10000E+01 volume 0.15018E-02 ppm1 3.389 ppm2 2.061 CV 1
ASSI { 790}
(( segid "PAH2" and resid 14 and name HA ))
(( segid "PAH2" and resid 17 and name HB ))
3.000 1.100 1.100 peak 790 weight 0.10000E+01 volume 0.13946E-02 ppm1 3.389 ppm2 1.843 CV 1
ASSI { 791}
(( segid "PAH2" and resid 14 and name HA ))
( segid "PAH2" and resid 14 and name HG1%)
2.000 0.500 0.500 peak 791 weight 0.10000E+01 volume 0.14968E-01 ppm1 3.389 ppm2 1.209 CV 1
OR { 791}
(( segid "PAH2" and resid 14 and name HA ))
( segid "PAH2" and resid 14 and name HG2%)
ASSI { 792}
(( segid "PAH2" and resid 14 and name HA ))
( segid "PAH2" and resid 17 and name HD1%)
2.500 0.800 0.800 peak 792 weight 0.10000E+01 volume 0.36423E-02 ppm1 3.389 ppm2 0.017 CV 1
ASSI { 795}
(( segid "PAH2" and resid 14 and name HB ))
( segid "PAH2" and resid 14 and name HG2%)
2.100 0.600 0.600 peak 795 weight 0.10000E+01 volume 0.11267E-01 ppm1 2.061 ppm2 1.238 CV 1
OR { 795}
(( segid "PAH2" and resid 14 and name HB ))
( segid "PAH2" and resid 14 and name HG1%)
ASSI { 796}
(( segid "PAH2" and resid 14 and name HB ))
( segid "MAD1" and resid 212 and name HD1%)
2.900 1.100 1.100 peak 796 weight 0.10000E+01 volume 0.14990E-02 ppm1 2.061 ppm2 0.962 CV 1
ASSI { 799}
( segid "PAH2" and resid 14 and name HG2%)
( segid "PAH2" and resid 17 and name HD1%)
3.300 1.400 1.400 peak 799 weight 0.10000E+01 volume 0.73529E-03 ppm1 1.246 ppm2 0.017 CV 1
ASSI { 800}
( segid "PAH2" and resid 14 and name HG2%)
( segid "MAD1" and resid 205 and name HD2%)
2.300 0.700 0.700 peak 800 weight 0.10000E+01 volume 0.64904E-02 ppm1 1.246 ppm2 0.208 CV 1
ASSI { 801}
( segid "PAH2" and resid 14 and name HG2%)
( segid "MAD1" and resid 209 and name HB% )
2.900 1.000 1.000 peak 801 weight 0.10000E+01 volume 0.16886E-02 ppm1 1.246 ppm2 1.657 CV 1
ASSI { 802}
( segid "PAH2" and resid 14 and name HG2%)
(( segid "PAH2" and resid 14 and name HB ))
2.200 0.600 0.600 peak 802 weight 0.10000E+01 volume 0.86316E-02 ppm1 1.246 ppm2 2.061 CV 1
ASSI { 803}
( segid "PAH2" and resid 14 and name HG2%)
(( segid "PAH2" and resid 13 and name HB3 ))
3.100 1.200 1.200 peak 803 weight 0.10000E+01 volume 0.10152E-02 ppm1 1.246 ppm2 2.858 CV 1
ASSI { 804}
( segid "PAH2" and resid 14 and name HG2%)
(( segid "PAH2" and resid 14 and name HA ))
2.200 0.600 0.600 peak 804 weight 0.10000E+01 volume 0.88021E-02 ppm1 1.246 ppm2 3.389 CV 1
ASSI { 805}
( segid "PAH2" and resid 14 and name HG2%)
(( segid "MAD1" and resid 205 and name HA ))
2.600 0.800 0.800 peak 805 weight 0.10000E+01 volume 0.32743E-02 ppm1 1.246 ppm2 3.933 CV 1
ASSI { 806}
( segid "PAH2" and resid 14 and name HG2%)
(( segid "MAD1" and resid 209 and name HA ))
2.700 0.900 0.900 peak 806 weight 0.10000E+01 volume 0.22840E-02 ppm1 1.246 ppm2 4.135 CV 1
ASSI { 810}
( segid "PAH2" and resid 14 and name HG1%)
( segid "MAD1" and resid 212 and name HD1%)
2.200 0.600 0.600 peak 810 weight 0.10000E+01 volume 0.80135E-02 ppm1 1.175 ppm2 0.962 CV 1
ASSI { 812}
( segid "PAH2" and resid 14 and name HG1%)
( segid "MAD1" and resid 205 and name HD2%)
4.000 2.000 2.000 peak 812 weight 0.10000E+01 volume 0.23174E-03 ppm1 1.176 ppm2 0.187 CV 1
ASSI { 813}
( segid "PAH2" and resid 14 and name HG1%)
( segid "PAH2" and resid 17 and name HD1%)
4.400 2.400 1.600 peak 813 weight 0.10000E+01 volume 0.13036E-03 ppm1 1.175 ppm2 0.017 CV 1
ASSI { 814}
( segid "PAH2" and resid 14 and name HG1%)
( segid "MAD1" and resid 209 and name HB% )
2.400 0.700 0.700 peak 814 weight 0.10000E+01 volume 0.50923E-02 ppm1 1.175 ppm2 1.657 CV 1
ASSI { 815}
( segid "PAH2" and resid 14 and name HG1%)
(( segid "PAH2" and resid 14 and name HB ))
2.300 0.600 0.600 peak 815 weight 0.10000E+01 volume 0.70446E-02 ppm1 1.175 ppm2 2.061 CV 1
ASSI { 816}
( segid "PAH2" and resid 14 and name HG1%)
(( segid "PAH2" and resid 14 and name HA ))
2.300 0.700 0.700 peak 816 weight 0.10000E+01 volume 0.62304E-02 ppm1 1.175 ppm2 3.389 CV 1
ASSI { 817}
( segid "PAH2" and resid 14 and name HG1%)
(( segid "MAD1" and resid 209 and name HA ))
2.400 0.700 0.700 peak 817 weight 0.10000E+01 volume 0.52507E-02 ppm1 1.175 ppm2 4.148 CV 1
ASSI { 822}
(( segid "PAH2" and resid 15 and name HA ))
( segid "MAD1" and resid 212 and name HD1%)
2.400 0.700 0.700 peak 822 weight 0.10000E+01 volume 0.44679E-02 ppm1 4.389 ppm2 0.937 CV 1
ASSI { 824}
(( segid "PAH2" and resid 15 and name HA ))
(( segid "PAH2" and resid 18 and name HB2 ))
2.300 0.700 0.700 peak 824 weight 0.10000E+01 volume 0.59128E-02 ppm1 4.389 ppm2 1.605 CV 1
ASSI { 825}
(( segid "PAH2" and resid 15 and name HA ))
(( segid "PAH2" and resid 15 and name HB2 ))
1.900 0.400 0.400 peak 825 weight 0.10000E+01 volume 0.23230E-01 ppm1 4.389 ppm2 2.801 CV 1
OR { 825}
(( segid "PAH2" and resid 15 and name HA ))
(( segid "PAH2" and resid 15 and name HB3 ))
ASSI { 826}
(( segid "PAH2" and resid 15 and name HA ))
(( segid "PAH2" and resid 15 and name HN ))
2.500 0.800 0.800 peak 826 weight 0.10000E+01 volume 0.35563E-02 ppm1 4.389 ppm2 8.607 CV 1
ASSI { 827}
(( segid "PAH2" and resid 15 and name HB2 ))
( segid "MAD1" and resid 212 and name HD1%)
2.500 0.800 0.800 peak 827 weight 0.10000E+01 volume 0.35038E-02 ppm1 2.772 ppm2 0.950 CV 1
ASSI { 828}
(( segid "PAH2" and resid 15 and name HB2 ))
(( segid "PAH2" and resid 15 and name HN ))
2.300 0.700 0.700 peak 828 weight 0.10000E+01 volume 0.58283E-02 ppm1 2.772 ppm2 8.607 CV 1
ASSI { 829}
(( segid "PAH2" and resid 15 and name HB3 ))
( segid "MAD1" and resid 212 and name HD1%)
2.600 0.800 0.800 peak 829 weight 0.10000E+01 volume 0.32736E-02 ppm1 2.806 ppm2 0.950 CV 1
OR { 829}
(( segid "PAH2" and resid 15 and name HB3 ))
( segid "MAD1" and resid 212 and name HD2%)
ASSI { 830}
(( segid "PAH2" and resid 15 and name HB3 ))
(( segid "PAH2" and resid 15 and name HN ))
2.300 0.700 0.700 peak 830 weight 0.10000E+01 volume 0.65806E-02 ppm1 2.806 ppm2 8.607 CV 1
ASSI { 831}
(( segid "PAH2" and resid 16 and name HA ))
(( segid "PAH2" and resid 16 and name HB2 ))
2.100 0.500 0.500 peak 831 weight 0.10000E+01 volume 0.11935E-01 ppm1 3.861 ppm2 1.958 CV 1
OR { 831}
(( segid "PAH2" and resid 16 and name HA ))
(( segid "PAH2" and resid 16 and name HB3 ))
ASSI { 832}
(( segid "PAH2" and resid 16 and name HA ))
(( segid "PAH2" and resid 16 and name HG2 ))
2.500 0.800 0.800 peak 832 weight 0.10000E+01 volume 0.36253E-02 ppm1 3.861 ppm2 1.155 CV 1
ASSI { 833}
(( segid "PAH2" and resid 16 and name HA ))
(( segid "PAH2" and resid 16 and name HG3 ))
2.400 0.700 0.700 peak 833 weight 0.10000E+01 volume 0.48976E-02 ppm1 3.861 ppm2 1.536 CV 1
ASSI { 834}
(( segid "PAH2" and resid 16 and name HA ))
(( segid "PAH2" and resid 16 and name HN ))
2.400 0.700 0.700 peak 834 weight 0.10000E+01 volume 0.53985E-02 ppm1 3.861 ppm2 7.990 CV 1
ASSI { 836}
(( segid "PAH2" and resid 16 and name HB3 ))
(( segid "PAH2" and resid 16 and name HG2 ))
2.700 0.900 0.900 peak 836 weight 0.10000E+01 volume 0.24438E-02 ppm1 1.966 ppm2 1.152 CV 1
OR { 836}
(( segid "PAH2" and resid 16 and name HB2 ))
(( segid "PAH2" and resid 16 and name HG2 ))
ASSI { 840}
(( segid "PAH2" and resid 16 and name HG2 ))
( segid "PAH2" and resid 72 and name HD2%)
3.000 1.100 1.100 peak 840 weight 0.10000E+01 volume 0.13036E-02 ppm1 1.146 ppm2 0.497 CV 1
ASSI { 841}
(( segid "PAH2" and resid 16 and name HG2 ))
(( segid "PAH2" and resid 16 and name HG3 ))
1.900 0.500 0.500 peak 841 weight 0.10000E+01 volume 0.18620E-01 ppm1 1.146 ppm2 1.536 CV 1
ASSI { 842}
(( segid "PAH2" and resid 16 and name HG2 ))
(( segid "PAH2" and resid 16 and name HD3 ))
2.300 0.700 0.700 peak 842 weight 0.10000E+01 volume 0.57323E-02 ppm1 1.146 ppm2 1.668 CV 1
OR { 842}
(( segid "PAH2" and resid 16 and name HG2 ))
(( segid "PAH2" and resid 16 and name HD2 ))
ASSI { 844}
(( segid "PAH2" and resid 16 and name HG2 ))
(( segid "PAH2" and resid 16 and name HE2 ))
3.100 1.200 1.200 peak 844 weight 0.10000E+01 volume 0.11310E-02 ppm1 1.146 ppm2 2.852 CV 1
OR { 844}
(( segid "PAH2" and resid 16 and name HG2 ))
(( segid "PAH2" and resid 16 and name HE3 ))
ASSI { 847}
(( segid "PAH2" and resid 16 and name HG3 ))
( segid "PAH2" and resid 72 and name HD2%)
4.100 2.100 1.900 peak 847 weight 0.10000E+01 volume 0.21221E-03 ppm1 1.536 ppm2 0.484 CV 1
ASSI { 848}
(( segid "PAH2" and resid 16 and name HG3 ))
(( segid "PAH2" and resid 16 and name HB2 ))
2.300 0.700 0.700 peak 848 weight 0.10000E+01 volume 0.63213E-02 ppm1 1.536 ppm2 1.958 CV 1
OR { 848}
(( segid "PAH2" and resid 16 and name HG3 ))
(( segid "PAH2" and resid 16 and name HB3 ))
ASSI { 849}
(( segid "PAH2" and resid 16 and name HG3 ))
(( segid "PAH2" and resid 16 and name HE3 ))
2.700 0.900 0.900 peak 849 weight 0.10000E+01 volume 0.23884E-02 ppm1 1.536 ppm2 2.877 CV 1
OR { 849}
(( segid "PAH2" and resid 16 and name HG3 ))
(( segid "PAH2" and resid 16 and name HE2 ))
ASSI { 852}
(( segid "PAH2" and resid 16 and name HD3 ))
( segid "PAH2" and resid 72 and name HD2%)
2.800 1.000 1.000 peak 852 weight 0.10000E+01 volume 0.21270E-02 ppm1 1.659 ppm2 0.497 CV 1
ASSI { 853}
(( segid "PAH2" and resid 16 and name HD3 ))
(( segid "PAH2" and resid 16 and name HE2 ))
2.300 0.700 0.700 peak 853 weight 0.10000E+01 volume 0.58361E-02 ppm1 1.659 ppm2 2.852 CV 1
OR { 853}
(( segid "PAH2" and resid 16 and name HD2 ))
(( segid "PAH2" and resid 16 and name HE3 ))
OR { 853}
(( segid "PAH2" and resid 16 and name HD2 ))
(( segid "PAH2" and resid 16 and name HE2 ))
ASSI { 856}
(( segid "PAH2" and resid 16 and name HE2 ))
(( segid "PAH2" and resid 16 and name HB3 ))
3.000 1.200 1.200 peak 856 weight 0.10000E+01 volume 0.12084E-02 ppm1 2.817 ppm2 1.958 CV 1
OR { 856}
(( segid "PAH2" and resid 16 and name HE2 ))
(( segid "PAH2" and resid 16 and name HB2 ))
ASSI { 857}
(( segid "PAH2" and resid 16 and name HE2 ))
(( segid "PAH2" and resid 16 and name HD3 ))
2.300 0.700 0.700 peak 857 weight 0.10000E+01 volume 0.64520E-02 ppm1 2.817 ppm2 1.655 CV 1
OR { 857}
(( segid "PAH2" and resid 16 and name HE2 ))
(( segid "PAH2" and resid 16 and name HD2 ))
ASSI { 858}
(( segid "PAH2" and resid 16 and name HE2 ))
(( segid "PAH2" and resid 16 and name HG3 ))
2.600 0.800 0.800 peak 858 weight 0.10000E+01 volume 0.31671E-02 ppm1 2.817 ppm2 1.536 CV 1
ASSI { 859}
(( segid "PAH2" and resid 16 and name HE2 ))
(( segid "PAH2" and resid 16 and name HG2 ))
3.000 1.100 1.100 peak 859 weight 0.10000E+01 volume 0.14280E-02 ppm1 2.817 ppm2 1.139 CV 1
ASSI { 860}
(( segid "PAH2" and resid 16 and name HE2 ))
( segid "PAH2" and resid 72 and name HD2%)
3.100 1.200 1.200 peak 860 weight 0.10000E+01 volume 0.10457E-02 ppm1 2.817 ppm2 0.497 CV 1
ASSI { 863}
(( segid "PAH2" and resid 16 and name HE3 ))
(( segid "PAH2" and resid 16 and name HB2 ))
3.100 1.200 1.200 peak 863 weight 0.10000E+01 volume 0.11481E-02 ppm1 2.890 ppm2 1.970 CV 1
OR { 863}
(( segid "PAH2" and resid 16 and name HE3 ))
(( segid "PAH2" and resid 16 and name HB3 ))
ASSI { 864}
(( segid "PAH2" and resid 16 and name HE3 ))
(( segid "PAH2" and resid 16 and name HD2 ))
2.200 0.600 0.600 peak 864 weight 0.10000E+01 volume 0.75020E-02 ppm1 2.890 ppm2 1.655 CV 1
OR { 864}
(( segid "PAH2" and resid 16 and name HE3 ))
(( segid "PAH2" and resid 16 and name HD3 ))
ASSI { 865}
(( segid "PAH2" and resid 16 and name HE3 ))
(( segid "PAH2" and resid 16 and name HG3 ))
2.500 0.800 0.800 peak 865 weight 0.10000E+01 volume 0.43115E-02 ppm1 2.890 ppm2 1.536 CV 1
ASSI { 866}
(( segid "PAH2" and resid 16 and name HE3 ))
(( segid "PAH2" and resid 16 and name HG2 ))
3.200 1.300 1.300 peak 866 weight 0.10000E+01 volume 0.87524E-03 ppm1 2.890 ppm2 1.139 CV 1
ASSI { 867}
(( segid "PAH2" and resid 16 and name HE3 ))
( segid "PAH2" and resid 72 and name HD2%)
3.400 1.400 1.400 peak 867 weight 0.10000E+01 volume 0.62353E-03 ppm1 2.890 ppm2 0.497 CV 1
ASSI { 868}
(( segid "PAH2" and resid 17 and name HA ))
(( segid "PAH2" and resid 17 and name HB ))
3.100 1.200 1.200 peak 868 weight 0.10000E+01 volume 0.10287E-02 ppm1 3.136 ppm2 1.843 CV 1
ASSI { 869}
(( segid "PAH2" and resid 17 and name HA ))
(( segid "PAH2" and resid 20 and name HB3 ))
3.100 1.200 1.200 peak 869 weight 0.10000E+01 volume 0.10748E-02 ppm1 3.136 ppm2 1.617 CV 1
ASSI { 870}
(( segid "PAH2" and resid 17 and name HA ))
(( segid "PAH2" and resid 17 and name HG13))
2.500 0.800 0.800 peak 870 weight 0.10000E+01 volume 0.36394E-02 ppm1 3.136 ppm2 1.080 CV 1
ASSI { 873}
(( segid "PAH2" and resid 17 and name HA ))
(( segid "PAH2" and resid 17 and name HG12))
2.700 0.900 0.900 peak 873 weight 0.10000E+01 volume 0.26890E-02 ppm1 3.136 ppm2 0.383 CV 1
ASSI { 874}
(( segid "PAH2" and resid 17 and name HA ))
( segid "PAH2" and resid 72 and name HD1%)
2.600 0.900 0.900 peak 874 weight 0.10000E+01 volume 0.28680E-02 ppm1 3.136 ppm2 0.207 CV 1
ASSI { 875}
(( segid "PAH2" and resid 17 and name HA ))
( segid "PAH2" and resid 17 and name HD1%)
3.100 1.200 1.200 peak 875 weight 0.10000E+01 volume 0.11566E-02 ppm1 3.136 ppm2 0.017 CV 1
ASSI { 876}
(( segid "PAH2" and resid 17 and name HA ))
( segid "PAH2" and resid 21 and name HE% )
4.300 2.300 1.700 peak 876 weight 0.10000E+01 volume 0.14713E-03 ppm1 3.136 ppm2 6.869 CV 1
ASSI { 877}
(( segid "PAH2" and resid 17 and name HA ))
( segid "PAH2" and resid 21 and name HD% )
3.700 1.700 1.700 peak 877 weight 0.10000E+01 volume 0.38092E-03 ppm1 3.136 ppm2 7.284 CV 1
ASSI { 879}
(( segid "PAH2" and resid 17 and name HA ))
(( segid "PAH2" and resid 20 and name HN ))
3.500 1.500 1.500 peak 879 weight 0.10000E+01 volume 0.51676E-03 ppm1 3.136 ppm2 8.002 CV 1
ASSI { 880}
(( segid "PAH2" and resid 17 and name HA ))
(( segid "PAH2" and resid 18 and name HN ))
4.300 2.400 1.700 peak 880 weight 0.10000E+01 volume 0.14414E-03 ppm1 3.136 ppm2 8.396 CV 1
ASSI { 888}
( segid "PAH2" and resid 17 and name HG2%)
(( segid "PAH2" and resid 17 and name HG12))
2.600 0.900 0.900 peak 888 weight 0.10000E+01 volume 0.30299E-02 ppm1 0.808 ppm2 0.371 CV 1
ASSI { 889}
( segid "PAH2" and resid 17 and name HG2%)
(( segid "PAH2" and resid 17 and name HB ))
2.400 0.700 0.700 peak 889 weight 0.10000E+01 volume 0.53005E-02 ppm1 0.808 ppm2 1.843 CV 1
ASSI { 890}
( segid "PAH2" and resid 17 and name HG2%)
(( segid "PAH2" and resid 17 and name HA ))
2.200 0.600 0.600 peak 890 weight 0.10000E+01 volume 0.78857E-02 ppm1 0.808 ppm2 3.136 CV 1
ASSI { 892}
( segid "PAH2" and resid 17 and name HG2%)
(( segid "PAH2" and resid 66 and name HZ ))
2.600 0.800 0.800 peak 892 weight 0.10000E+01 volume 0.31436E-02 ppm1 0.808 ppm2 6.016 CV 1
ASSI { 896}
( segid "PAH2" and resid 17 and name HG2%)
( segid "PAH2" and resid 21 and name HD% )
2.300 0.600 0.600 peak 896 weight 0.10000E+01 volume 0.71256E-02 ppm1 0.808 ppm2 7.297 CV 1
ASSI { 897}
( segid "PAH2" and resid 17 and name HG2%)
(( segid "PAH2" and resid 17 and name HN ))
2.900 1.000 1.000 peak 897 weight 0.10000E+01 volume 0.17022E-02 ppm1 0.808 ppm2 7.662 CV 1
ASSI { 899}
( segid "PAH2" and resid 17 and name HG2%)
(( segid "PAH2" and resid 18 and name HN ))
3.100 1.200 1.200 peak 899 weight 0.10000E+01 volume 0.99885E-03 ppm1 0.808 ppm2 8.380 CV 1
ASSI { 905}
(( segid "PAH2" and resid 17 and name HG13))
(( segid "PAH2" and resid 17 and name HG12))
2.400 0.700 0.700 peak 905 weight 0.10000E+01 volume 0.56194E-02 ppm1 1.058 ppm2 0.371 CV 1
ASSI { 906}
(( segid "PAH2" and resid 17 and name HG13))
(( segid "PAH2" and resid 17 and name HB ))
3.200 1.300 1.300 peak 906 weight 0.10000E+01 volume 0.95623E-03 ppm1 1.058 ppm2 1.843 CV 1
ASSI { 908}
( segid "PAH2" and resid 17 and name HD1%)
(( segid "PAH2" and resid 17 and name HG12))
2.300 0.600 0.600 peak 908 weight 0.10000E+01 volume 0.72676E-02 ppm1 0.017 ppm2 0.371 CV 1
ASSI { 910}
( segid "PAH2" and resid 17 and name HD1%)
( segid "PAH2" and resid 17 and name HG2%)
2.100 0.500 0.500 peak 910 weight 0.10000E+01 volume 0.11494E-01 ppm1 0.017 ppm2 0.808 CV 1
ASSI { 911}
( segid "PAH2" and resid 17 and name HD1%)
(( segid "PAH2" and resid 17 and name HG13))
2.100 0.600 0.600 peak 911 weight 0.10000E+01 volume 0.10869E-01 ppm1 0.017 ppm2 1.063 CV 1
ASSI { 912}
( segid "PAH2" and resid 17 and name HD1%)
( segid "PAH2" and resid 14 and name HG2%)
2.500 0.800 0.800 peak 912 weight 0.10000E+01 volume 0.39059E-02 ppm1 0.017 ppm2 1.238 CV 1
OR { 912}
( segid "PAH2" and resid 17 and name HD1%)
( segid "PAH2" and resid 14 and name HG1%)
ASSI { 913}
( segid "PAH2" and resid 17 and name HD1%)
(( segid "PAH2" and resid 17 and name HB ))
2.300 0.700 0.700 peak 913 weight 0.10000E+01 volume 0.62694E-02 ppm1 0.017 ppm2 1.843 CV 1
ASSI { 916}
( segid "PAH2" and resid 17 and name HD1%)
(( segid "PAH2" and resid 66 and name HZ ))
2.500 0.800 0.800 peak 916 weight 0.10000E+01 volume 0.39670E-02 ppm1 0.017 ppm2 6.012 CV 1
ASSI { 917}
( segid "PAH2" and resid 17 and name HD1%)
( segid "PAH2" and resid 66 and name HE% )
2.500 0.800 0.800 peak 917 weight 0.10000E+01 volume 0.38121E-02 ppm1 0.017 ppm2 6.705 CV 1
ASSI { 919}
( segid "PAH2" and resid 17 and name HD1%)
( segid "PAH2" and resid 13 and name HD% )
2.400 0.700 0.700 peak 919 weight 0.10000E+01 volume 0.55910E-02 ppm1 0.017 ppm2 6.995 CV 1
ASSI { 921}
( segid "PAH2" and resid 17 and name HD1%)
(( segid "PAH2" and resid 17 and name HN ))
2.800 1.000 1.000 peak 921 weight 0.10000E+01 volume 0.20183E-02 ppm1 0.017 ppm2 7.662 CV 1
ASSI { 924}
(( segid "PAH2" and resid 18 and name HA ))
(( segid "PAH2" and resid 18 and name HB2 ))
2.600 0.800 0.800 peak 924 weight 0.10000E+01 volume 0.31279E-02 ppm1 3.098 ppm2 1.606 CV 1
ASSI { 925}
(( segid "PAH2" and resid 18 and name HA ))
(( segid "PAH2" and resid 18 and name HB3 ))
2.400 0.700 0.700 peak 925 weight 0.10000E+01 volume 0.53282E-02 ppm1 3.098 ppm2 1.250 CV 1
ASSI { 926}
(( segid "PAH2" and resid 18 and name HA ))
(( segid "PAH2" and resid 18 and name HG3 ))
2.500 0.800 0.800 peak 926 weight 0.10000E+01 volume 0.40032E-02 ppm1 3.098 ppm2 0.765 CV 1
ASSI { 927}
(( segid "PAH2" and resid 18 and name HA ))
(( segid "PAH2" and resid 18 and name HG2 ))
2.500 0.800 0.800 peak 927 weight 0.10000E+01 volume 0.43705E-02 ppm1 3.099 ppm2 0.521 CV 1
ASSI { 928}
(( segid "PAH2" and resid 18 and name HA ))
( segid "PAH2" and resid 28 and name HE% )
3.300 1.300 1.300 peak 928 weight 0.10000E+01 volume 0.78218E-03 ppm1 3.098 ppm2 6.762 CV 1
ASSI { 929}
(( segid "PAH2" and resid 18 and name HA ))
( segid "PAH2" and resid 28 and name HD% )
3.000 1.100 1.100 peak 929 weight 0.10000E+01 volume 0.14408E-02 ppm1 3.098 ppm2 7.051 CV 1
ASSI { 931}
(( segid "PAH2" and resid 18 and name HA ))
(( segid "PAH2" and resid 18 and name HN ))
2.700 0.900 0.900 peak 931 weight 0.10000E+01 volume 0.24943E-02 ppm1 3.098 ppm2 8.400 CV 1
ASSI { 934}
(( segid "PAH2" and resid 18 and name HB3 ))
(( segid "PAH2" and resid 18 and name HB2 ))
2.200 0.600 0.600 peak 934 weight 0.10000E+01 volume 0.76299E-02 ppm1 1.250 ppm2 1.617 CV 1
ASSI { 936}
(( segid "PAH2" and resid 18 and name HB3 ))
(( segid "PAH2" and resid 15 and name HA ))
3.700 1.700 1.700 peak 936 weight 0.10000E+01 volume 0.35635E-03 ppm1 1.250 ppm2 4.388 CV 1
ASSI { 947}
(( segid "PAH2" and resid 18 and name HG2 ))
(( segid "PAH2" and resid 18 and name HG3 ))
1.900 0.500 0.500 peak 947 weight 0.10000E+01 volume 0.17725E-01 ppm1 0.516 ppm2 0.723 CV 1
ASSI { 951}
(( segid "PAH2" and resid 18 and name HG3 ))
(( segid "PAH2" and resid 18 and name HD3 ))
2.200 0.600 0.600 peak 951 weight 0.10000E+01 volume 0.89087E-02 ppm1 0.719 ppm2 1.416 CV 1
OR { 951}
(( segid "PAH2" and resid 18 and name HG3 ))
(( segid "PAH2" and resid 18 and name HD2 ))
ASSI { 952}
(( segid "PAH2" and resid 18 and name HG2 ))
(( segid "PAH2" and resid 18 and name HD2 ))
2.200 0.600 0.600 peak 952 weight 0.10000E+01 volume 0.78501E-02 ppm1 0.516 ppm2 1.391 CV 1
OR { 952}
(( segid "PAH2" and resid 18 and name HG2 ))
(( segid "PAH2" and resid 18 and name HD3 ))
ASSI { 953}
(( segid "PAH2" and resid 18 and name HG3 ))
(( segid "PAH2" and resid 18 and name HE2 ))
2.800 0.900 0.900 peak 953 weight 0.10000E+01 volume 0.22222E-02 ppm1 0.719 ppm2 2.801 CV 1
OR { 953}
(( segid "PAH2" and resid 18 and name HG3 ))
(( segid "PAH2" and resid 18 and name HE3 ))
ASSI { 955}
(( segid "PAH2" and resid 18 and name HD2 ))
(( segid "PAH2" and resid 18 and name HG2 ))
2.900 1.000 1.000 peak 955 weight 0.10000E+01 volume 0.16724E-02 ppm1 1.382 ppm2 0.534 CV 1
ASSI { 956}
(( segid "PAH2" and resid 18 and name HD2 ))
(( segid "PAH2" and resid 18 and name HG3 ))
3.000 1.100 1.100 peak 956 weight 0.10000E+01 volume 0.14038E-02 ppm1 1.382 ppm2 0.723 CV 1
ASSI { 957}
(( segid "PAH2" and resid 18 and name HD2 ))
( segid "MAD1" and resid 212 and name HD1%)
3.500 1.600 1.600 peak 957 weight 0.10000E+01 volume 0.48820E-03 ppm1 1.382 ppm2 0.950 CV 1
ASSI { 958}
(( segid "PAH2" and resid 18 and name HD2 ))
(( segid "PAH2" and resid 18 and name HE3 ))
2.500 0.800 0.800 peak 958 weight 0.10000E+01 volume 0.35429E-02 ppm1 1.381 ppm2 2.804 CV 1
OR { 958}
(( segid "PAH2" and resid 18 and name HD2 ))
(( segid "PAH2" and resid 18 and name HE2 ))
ASSI { 960}
(( segid "PAH2" and resid 18 and name HD3 ))
( segid "MAD1" and resid 212 and name HD1%)
3.500 1.500 1.500 peak 960 weight 0.10000E+01 volume 0.54752E-03 ppm1 1.465 ppm2 0.963 CV 1
ASSI { 961}
(( segid "PAH2" and resid 18 and name HD3 ))
(( segid "PAH2" and resid 18 and name HG3 ))
2.900 1.000 1.000 peak 961 weight 0.10000E+01 volume 0.17327E-02 ppm1 1.465 ppm2 0.723 CV 1
ASSI { 962}
(( segid "PAH2" and resid 18 and name HD3 ))
(( segid "PAH2" and resid 18 and name HG2 ))
3.000 1.100 1.100 peak 962 weight 0.10000E+01 volume 0.14016E-02 ppm1 1.465 ppm2 0.522 CV 1
ASSI { 963}
(( segid "PAH2" and resid 18 and name HD3 ))
(( segid "PAH2" and resid 18 and name HE2 ))
2.500 0.800 0.800 peak 963 weight 0.10000E+01 volume 0.36238E-02 ppm1 1.465 ppm2 2.801 CV 1
OR { 963}
(( segid "PAH2" and resid 18 and name HD3 ))
(( segid "PAH2" and resid 18 and name HE3 ))
ASSI { 965}
(( segid "PAH2" and resid 18 and name HE2 ))
(( segid "PAH2" and resid 18 and name HD3 ))
2.000 0.500 0.500 peak 965 weight 0.10000E+01 volume 0.15835E-01 ppm1 2.801 ppm2 1.416 CV 1
OR { 965}
(( segid "PAH2" and resid 18 and name HE3 ))
(( segid "PAH2" and resid 18 and name HD2 ))
OR { 965}
(( segid "PAH2" and resid 18 and name HE3 ))
(( segid "PAH2" and resid 18 and name HD3 ))
ASSI { 966}
(( segid "PAH2" and resid 18 and name HE3 ))
( segid "MAD1" and resid 212 and name HD1%)
2.800 1.000 1.000 peak 966 weight 0.10000E+01 volume 0.21008E-02 ppm1 2.801 ppm2 0.925 CV 1
OR { 966}
(( segid "PAH2" and resid 18 and name HE2 ))
( segid "MAD1" and resid 212 and name HD1%)
ASSI { 968}
(( segid "PAH2" and resid 18 and name HE3 ))
(( segid "PAH2" and resid 18 and name HG2 ))
2.300 0.700 0.700 peak 968 weight 0.10000E+01 volume 0.58880E-02 ppm1 2.801 ppm2 0.522 CV 1
OR { 968}
(( segid "PAH2" and resid 18 and name HE2 ))
(( segid "PAH2" and resid 18 and name HG2 ))
ASSI { 971}
(( segid "PAH2" and resid 18 and name HE2 ))
( segid "PAH2" and resid 28 and name HD% )
3.800 1.800 1.800 peak 971 weight 0.10000E+01 volume 0.29994E-03 ppm1 2.802 ppm2 7.028 CV 1
OR { 971}
(( segid "PAH2" and resid 18 and name HE3 ))
( segid "PAH2" and resid 28 and name HD% )
ASSI { 972}
(( segid "PAH2" and resid 19 and name HA ))
(( segid "PAH2" and resid 19 and name HB ))
2.400 0.700 0.700 peak 972 weight 0.10000E+01 volume 0.49481E-02 ppm1 3.761 ppm2 4.087 CV 1
ASSI { 976}
(( segid "PAH2" and resid 19 and name HA ))
(( segid "PAH2" and resid 22 and name HG ))
2.100 0.500 0.500 peak 976 weight 0.10000E+01 volume 0.11509E-01 ppm1 3.761 ppm2 1.892 CV 1
ASSI { 979}
(( segid "PAH2" and resid 19 and name HA ))
( segid "PAH2" and resid 22 and name HD2%)
2.300 0.600 0.600 peak 979 weight 0.10000E+01 volume 0.72249E-02 ppm1 3.761 ppm2 0.901 CV 1
OR { 979}
(( segid "PAH2" and resid 19 and name HA ))
( segid "PAH2" and resid 22 and name HD1%)
ASSI { 981}
(( segid "PAH2" and resid 19 and name HB ))
( segid "PAH2" and resid 19 and name HG2%)
2.000 0.500 0.500 peak 981 weight 0.10000E+01 volume 0.13505E-01 ppm1 4.081 ppm2 1.164 CV 1
ASSI { 983}
(( segid "PAH2" and resid 19 and name HB ))
(( segid "PAH2" and resid 19 and name HN ))
2.300 0.600 0.600 peak 983 weight 0.10000E+01 volume 0.69735E-02 ppm1 4.081 ppm2 8.089 CV 1
ASSI { 987}
( segid "PAH2" and resid 19 and name HG2%)
(( segid "PAH2" and resid 19 and name HN ))
2.300 0.600 0.600 peak 987 weight 0.10000E+01 volume 0.70374E-02 ppm1 1.162 ppm2 8.076 CV 1
ASSI { 988}
(( segid "PAH2" and resid 20 and name HA ))
(( segid "PAH2" and resid 20 and name HD3 ))
2.200 0.600 0.600 peak 988 weight 0.10000E+01 volume 0.79639E-02 ppm1 3.799 ppm2 3.010 CV 1
OR { 988}
(( segid "PAH2" and resid 20 and name HA ))
(( segid "PAH2" and resid 20 and name HD2 ))
ASSI { 989}
(( segid "PAH2" and resid 20 and name HA ))
(( segid "PAH2" and resid 20 and name HB3 ))
2.600 0.800 0.800 peak 989 weight 0.10000E+01 volume 0.31500E-02 ppm1 3.799 ppm2 1.616 CV 1
ASSI { 990}
(( segid "PAH2" and resid 20 and name HA ))
(( segid "PAH2" and resid 20 and name HB2 ))
2.500 0.800 0.800 peak 990 weight 0.10000E+01 volume 0.38605E-02 ppm1 3.799 ppm2 1.139 CV 1
ASSI { 991}
(( segid "PAH2" and resid 20 and name HA ))
(( segid "PAH2" and resid 20 and name HG2 ))
3.000 1.100 1.100 peak 991 weight 0.10000E+01 volume 0.12844E-02 ppm1 3.799 ppm2 0.902 CV 1
ASSI { 992}
(( segid "PAH2" and resid 20 and name HA ))
(( segid "PAH2" and resid 20 and name HG3 ))
2.900 1.100 1.100 peak 992 weight 0.10000E+01 volume 0.16020E-02 ppm1 3.799 ppm2 0.479 CV 1
ASSI { 998}
(( segid "PAH2" and resid 20 and name HB2 ))
(( segid "PAH2" and resid 20 and name HG3 ))
3.800 1.800 1.800 peak 998 weight 0.10000E+01 volume 0.30853E-03 ppm1 1.111 ppm2 0.487 CV 1
ASSI { 999}
(( segid "PAH2" and resid 20 and name HB3 ))
(( segid "PAH2" and resid 20 and name HB2 ))
2.600 0.800 0.800 peak 999 weight 0.10000E+01 volume 0.30981E-02 ppm1 1.612 ppm2 1.114 CV 1
ASSI { 1000}
(( segid "PAH2" and resid 20 and name HB3 ))
(( segid "PAH2" and resid 20 and name HG3 ))
3.400 1.500 1.500 peak 1000 weight 0.10000E+01 volume 0.58496E-03 ppm1 1.612 ppm2 0.487 CV 1
ASSI { 1004}
(( segid "PAH2" and resid 20 and name HG3 ))
(( segid "PAH2" and resid 20 and name HG2 ))
2.000 0.500 0.500 peak 1004 weight 0.10000E+01 volume 0.14180E-01 ppm1 0.477 ppm2 0.876 CV 1
ASSI { 1005}
(( segid "PAH2" and resid 21 and name HB3 ))
(( segid "PAH2" and resid 21 and name HB2 ))
2.300 0.600 0.600 peak 1005 weight 0.10000E+01 volume 0.69486E-02 ppm1 2.437 ppm2 3.926 CV 1
ASSI { 1006}
(( segid "PAH2" and resid 21 and name HB3 ))
( segid "PAH2" and resid 21 and name HD% )
2.400 0.700 0.700 peak 1006 weight 0.10000E+01 volume 0.47797E-02 ppm1 2.441 ppm2 7.274 CV 1
ASSI { 1008}
(( segid "PAH2" and resid 21 and name HB2 ))
( segid "PAH2" and resid 21 and name HD% )
2.500 0.800 0.800 peak 1008 weight 0.10000E+01 volume 0.40742E-02 ppm1 3.936 ppm2 7.280 CV 1
ASSI { 1009}
(( segid "PAH2" and resid 22 and name HA ))
( segid "PAH2" and resid 22 and name HD2%)
2.000 0.500 0.500 peak 1009 weight 0.10000E+01 volume 0.16524E-01 ppm1 4.022 ppm2 0.901 CV 1
ASSI { 1015}
(( segid "PAH2" and resid 40 and name HA ))
(( segid "PAH2" and resid 40 and name HN ))
2.400 0.700 0.700 peak 1015 weight 0.10000E+01 volume 0.46888E-02 ppm1 4.020 ppm2 8.187 CV 1
ASSI { 1017}
(( segid "PAH2" and resid 22 and name HB3 ))
( segid "PAH2" and resid 22 and name HD1%)
2.100 0.600 0.600 peak 1017 weight 0.10000E+01 volume 0.10038E-01 ppm1 1.588 ppm2 0.901 CV 1
ASSI { 1019}
(( segid "PAH2" and resid 22 and name HB3 ))
(( segid "PAH2" and resid 22 and name HA ))
2.400 0.700 0.700 peak 1019 weight 0.10000E+01 volume 0.56748E-02 ppm1 1.588 ppm2 4.024 CV 1
ASSI { 1025}
(( segid "PAH2" and resid 22 and name HB2 ))
(( segid "PAH2" and resid 22 and name HA ))
2.300 0.700 0.700 peak 1025 weight 0.10000E+01 volume 0.57877E-02 ppm1 1.816 ppm2 4.016 CV 1
ASSI { 1028}
(( segid "PAH2" and resid 22 and name HG ))
( segid "PAH2" and resid 22 and name HD2%)
2.200 0.600 0.600 peak 1028 weight 0.10000E+01 volume 0.78785E-02 ppm1 1.922 ppm2 0.895 CV 1
OR { 1028}
(( segid "PAH2" and resid 22 and name HG ))
( segid "PAH2" and resid 22 and name HD1%)
ASSI { 1029}
(( segid "PAH2" and resid 22 and name HB2 ))
( segid "PAH2" and resid 22 and name HD1%)
2.100 0.500 0.500 peak 1029 weight 0.10000E+01 volume 0.11466E-01 ppm1 1.816 ppm2 0.901 CV 1
OR { 1029}
(( segid "PAH2" and resid 22 and name HB2 ))
( segid "PAH2" and resid 22 and name HD2%)
ASSI { 1030}
(( segid "PAH2" and resid 22 and name HG ))
(( segid "PAH2" and resid 22 and name HB3 ))
2.800 1.000 1.000 peak 1030 weight 0.10000E+01 volume 0.21455E-02 ppm1 1.921 ppm2 1.591 CV 1
ASSI { 1032}
(( segid "PAH2" and resid 22 and name HG ))
(( segid "PAH2" and resid 22 and name HA ))
3.300 1.400 1.400 peak 1032 weight 0.10000E+01 volume 0.72036E-03 ppm1 1.921 ppm2 4.024 CV 1
ASSI { 1033}
(( segid "PAH2" and resid 22 and name HG ))
(( segid "PAH2" and resid 22 and name HN ))
2.700 0.900 0.900 peak 1033 weight 0.10000E+01 volume 0.27010E-02 ppm1 1.922 ppm2 7.241 CV 1
ASSI { 1038}
(( segid "PAH2" and resid 20 and name HG2 ))
(( segid "PAH2" and resid 20 and name HB3 ))
2.400 0.700 0.700 peak 1038 weight 0.10000E+01 volume 0.51775E-02 ppm1 0.868 ppm2 1.603 CV 1
ASSI { 1039}
( segid "PAH2" and resid 22 and name HD2%)
(( segid "PAH2" and resid 19 and name HA ))
2.500 0.800 0.800 peak 1039 weight 0.10000E+01 volume 0.35791E-02 ppm1 0.868 ppm2 3.774 CV 1
ASSI { 1041}
(( segid "PAH2" and resid 20 and name HG2 ))
( segid "PAH2" and resid 21 and name HD% )
2.600 0.800 0.800 peak 1041 weight 0.10000E+01 volume 0.32459E-02 ppm1 0.868 ppm2 7.248 CV 1
OR { 1041}
(( segid "PAH2" and resid 20 and name HG2 ))
(( segid "PAH2" and resid 21 and name HN ))
ASSI { 1042}
(( segid "PAH2" and resid 23 and name HA ))
(( segid "PAH2" and resid 25 and name HD2 ))
4.000 2.000 2.000 peak 1042 weight 0.10000E+01 volume 0.23337E-03 ppm1 4.557 ppm2 3.736 CV 1
ASSI { 1043}
(( segid "PAH2" and resid 23 and name HA ))
(( segid "PAH2" and resid 25 and name HD3 ))
3.400 1.400 1.400 peak 1043 weight 0.10000E+01 volume 0.63028E-03 ppm1 4.557 ppm2 3.535 CV 1
ASSI { 1044}
(( segid "PAH2" and resid 23 and name HA ))
(( segid "PAH2" and resid 23 and name HB2 ))
1.900 0.400 0.400 peak 1044 weight 0.10000E+01 volume 0.20922E-01 ppm1 4.557 ppm2 2.569 CV 1
OR { 1044}
(( segid "PAH2" and resid 23 and name HA ))
(( segid "PAH2" and resid 23 and name HB3 ))
ASSI { 1047}
(( segid "PAH2" and resid 23 and name HB3 ))
(( segid "PAH2" and resid 23 and name HA ))
2.300 0.700 0.700 peak 1047 weight 0.10000E+01 volume 0.58702E-02 ppm1 2.541 ppm2 4.551 CV 1
ASSI { 1049}
(( segid "PAH2" and resid 23 and name HB2 ))
(( segid "PAH2" and resid 23 and name HA ))
2.300 0.700 0.700 peak 1049 weight 0.10000E+01 volume 0.59775E-02 ppm1 2.576 ppm2 4.551 CV 1
ASSI { 1051}
(( segid "PAH2" and resid 23 and name HB2 ))
(( segid "PAH2" and resid 23 and name HN ))
2.700 0.900 0.900 peak 1051 weight 0.10000E+01 volume 0.27010E-02 ppm1 2.576 ppm2 8.684 CV 1
ASSI { 1052}
(( segid "PAH2" and resid 23 and name HB3 ))
(( segid "PAH2" and resid 23 and name HN ))
2.700 0.900 0.900 peak 1052 weight 0.10000E+01 volume 0.23337E-02 ppm1 2.541 ppm2 8.684 CV 1
ASSI { 1056}
(( segid "PAH2" and resid 24 and name HA ))
(( segid "PAH2" and resid 25 and name HD2 ))
2.100 0.600 0.600 peak 1056 weight 0.10000E+01 volume 0.10628E-01 ppm1 5.202 ppm2 3.732 CV 1
ASSI { 1058}
(( segid "PAH2" and resid 24 and name HA ))
(( segid "PAH2" and resid 24 and name HB2 ))
2.800 1.000 1.000 peak 1058 weight 0.10000E+01 volume 0.18443E-02 ppm1 5.202 ppm2 3.008 CV 1
ASSI { 1061}
(( segid "PAH2" and resid 24 and name HA ))
( segid "PAH2" and resid 27 and name HD1%)
3.300 1.400 1.400 peak 1061 weight 0.10000E+01 volume 0.72179E-03 ppm1 5.202 ppm2 0.763 CV 1
ASSI { 1062}
(( segid "PAH2" and resid 24 and name HB2 ))
(( segid "PAH2" and resid 24 and name HB3 ))
2.100 0.500 0.500 peak 1062 weight 0.10000E+01 volume 0.11857E-01 ppm1 2.993 ppm2 3.447 CV 1
ASSI { 1069}
(( segid "PAH2" and resid 24 and name HB3 ))
(( segid "PAH2" and resid 27 and name HG13))
3.400 1.400 1.400 peak 1069 weight 0.10000E+01 volume 0.65629E-03 ppm1 3.442 ppm2 1.528 CV 1
ASSI { 1070}
(( segid "PAH2" and resid 24 and name HB3 ))
(( segid "PAH2" and resid 24 and name HA ))
2.800 1.000 1.000 peak 1070 weight 0.10000E+01 volume 0.18080E-02 ppm1 3.442 ppm2 5.204 CV 1
ASSI { 1073}
(( segid "PAH2" and resid 25 and name HA ))
(( segid "PAH2" and resid 25 and name HB3 ))
2.100 0.500 0.500 peak 1073 weight 0.10000E+01 volume 0.12013E-01 ppm1 4.462 ppm2 2.206 CV 1
ASSI { 1074}
(( segid "PAH2" and resid 25 and name HA ))
(( segid "PAH2" and resid 25 and name HB2 ))
2.100 0.500 0.500 peak 1074 weight 0.10000E+01 volume 0.12361E-01 ppm1 4.462 ppm2 2.456 CV 1
ASSI { 1077}
(( segid "PAH2" and resid 25 and name HA ))
(( segid "PAH2" and resid 25 and name HD3 ))
3.900 1.900 1.900 peak 1077 weight 0.10000E+01 volume 0.26307E-03 ppm1 4.462 ppm2 3.529 CV 1
ASSI { 1078}
(( segid "PAH2" and resid 25 and name HA ))
(( segid "PAH2" and resid 25 and name HD2 ))
4.100 2.100 1.900 peak 1078 weight 0.10000E+01 volume 0.21227E-03 ppm1 4.462 ppm2 3.732 CV 1
ASSI { 1079}
(( segid "PAH2" and resid 25 and name HA ))
(( segid "PAH2" and resid 28 and name HN ))
3.000 1.100 1.100 peak 1079 weight 0.10000E+01 volume 0.14187E-02 ppm1 4.463 ppm2 6.735 CV 1
ASSI { 1080}
(( segid "PAH2" and resid 25 and name HA ))
(( segid "PAH2" and resid 27 and name HN ))
3.100 1.200 1.200 peak 1080 weight 0.10000E+01 volume 0.10805E-02 ppm1 4.462 ppm2 8.250 CV 1
ASSI { 1088}
(( segid "PAH2" and resid 25 and name HB3 ))
(( segid "PAH2" and resid 25 and name HD3 ))
3.200 1.300 1.300 peak 1088 weight 0.10000E+01 volume 0.82692E-03 ppm1 2.210 ppm2 3.529 CV 1
ASSI { 1091}
(( segid "PAH2" and resid 25 and name HB3 ))
(( segid "PAH2" and resid 25 and name HD2 ))
3.300 1.400 1.400 peak 1091 weight 0.10000E+01 volume 0.74594E-03 ppm1 2.210 ppm2 3.732 CV 1
ASSI { 1095}
(( segid "PAH2" and resid 25 and name HB2 ))
(( segid "PAH2" and resid 25 and name HB3 ))
1.900 0.400 0.400 peak 1095 weight 0.10000E+01 volume 0.21355E-01 ppm1 2.447 ppm2 2.193 CV 1
ASSI { 1098}
(( segid "PAH2" and resid 25 and name HB2 ))
(( segid "PAH2" and resid 25 and name HD2 ))
4.200 2.200 1.800 peak 1098 weight 0.10000E+01 volume 0.18692E-03 ppm1 2.447 ppm2 3.732 CV 1
ASSI { 1102}
(( segid "PAH2" and resid 25 and name HG2 ))
(( segid "PAH2" and resid 25 and name HD3 ))
2.800 1.000 1.000 peak 1102 weight 0.10000E+01 volume 0.18947E-02 ppm1 2.114 ppm2 3.529 CV 1
ASSI { 1103}
(( segid "PAH2" and resid 25 and name HG3 ))
(( segid "PAH2" and resid 25 and name HD3 ))
2.600 0.800 0.800 peak 1103 weight 0.10000E+01 volume 0.33923E-02 ppm1 2.174 ppm2 3.529 CV 1
ASSI { 1104}
(( segid "PAH2" and resid 25 and name HD3 ))
(( segid "PAH2" and resid 25 and name HG3 ))
2.100 0.500 0.500 peak 1104 weight 0.10000E+01 volume 0.11921E-01 ppm1 3.529 ppm2 2.168 CV 1
OR { 1104}
(( segid "PAH2" and resid 25 and name HD3 ))
(( segid "PAH2" and resid 25 and name HG2 ))
ASSI { 1105}
(( segid "PAH2" and resid 25 and name HD3 ))
(( segid "PAH2" and resid 25 and name HB2 ))
3.000 1.100 1.100 peak 1105 weight 0.10000E+01 volume 0.13619E-02 ppm1 3.529 ppm2 2.444 CV 1
ASSI { 1106}
(( segid "PAH2" and resid 25 and name HD3 ))
(( segid "PAH2" and resid 25 and name HD2 ))
1.800 0.400 0.400 peak 1106 weight 0.10000E+01 volume 0.24069E-01 ppm1 3.529 ppm2 3.732 CV 1
ASSI { 1109}
(( segid "PAH2" and resid 25 and name HD3 ))
(( segid "PAH2" and resid 24 and name HA ))
2.500 0.800 0.800 peak 1109 weight 0.10000E+01 volume 0.43478E-02 ppm1 3.529 ppm2 5.216 CV 1
ASSI { 1110}
(( segid "PAH2" and resid 25 and name HD3 ))
(( segid "PAH2" and resid 24 and name HN ))
2.900 1.000 1.000 peak 1110 weight 0.10000E+01 volume 0.16724E-02 ppm1 3.529 ppm2 7.726 CV 1
ASSI { 1117}
(( segid "PAH2" and resid 25 and name HG3 ))
(( segid "PAH2" and resid 26 and name HN ))
3.600 1.600 1.600 peak 1117 weight 0.10000E+01 volume 0.45588E-03 ppm1 2.178 ppm2 10.313 CV 1
ASSI { 1122}
(( segid "PAH2" and resid 26 and name HB3 ))
(( segid "PAH2" and resid 26 and name HA ))
2.700 0.900 0.900 peak 1122 weight 0.10000E+01 volume 0.25846E-02 ppm1 2.044 ppm2 4.238 CV 1
ASSI { 1123}
(( segid "PAH2" and resid 26 and name HB3 ))
(( segid "PAH2" and resid 26 and name HN ))
3.100 1.200 1.200 peak 1123 weight 0.10000E+01 volume 0.10983E-02 ppm1 2.044 ppm2 10.321 CV 1
ASSI { 1124}
(( segid "PAH2" and resid 26 and name HB2 ))
(( segid "PAH2" and resid 26 and name HA ))
2.700 0.900 0.900 peak 1124 weight 0.10000E+01 volume 0.24403E-02 ppm1 2.184 ppm2 4.225 CV 1
ASSI { 1125}
(( segid "PAH2" and resid 26 and name HB2 ))
(( segid "PAH2" and resid 26 and name HN ))
2.700 0.900 0.900 peak 1125 weight 0.10000E+01 volume 0.24374E-02 ppm1 2.184 ppm2 10.321 CV 1
ASSI { 1126}
(( segid "PAH2" and resid 26 and name HG3 ))
(( segid "PAH2" and resid 26 and name HA ))
3.100 1.200 1.200 peak 1126 weight 0.10000E+01 volume 0.11281E-02 ppm1 2.336 ppm2 4.213 CV 1
ASSI { 1128}
(( segid "PAH2" and resid 26 and name HG2 ))
(( segid "PAH2" and resid 26 and name HG3 ))
2.000 0.500 0.500 peak 1128 weight 0.10000E+01 volume 0.17363E-01 ppm1 2.554 ppm2 2.344 CV 1
ASSI { 1129}
(( segid "PAH2" and resid 26 and name HG2 ))
(( segid "PAH2" and resid 26 and name HB3 ))
2.300 0.600 0.600 peak 1129 weight 0.10000E+01 volume 0.69166E-02 ppm1 2.554 ppm2 2.055 CV 1
ASSI { 1133}
(( segid "PAH2" and resid 27 and name HA ))
(( segid "PAH2" and resid 27 and name HB ))
2.400 0.700 0.700 peak 1133 weight 0.10000E+01 volume 0.50397E-02 ppm1 3.674 ppm2 1.541 CV 1
OR { 1133}
(( segid "PAH2" and resid 27 and name HA ))
(( segid "PAH2" and resid 27 and name HG13))
ASSI { 1134}
(( segid "PAH2" and resid 27 and name HA ))
(( segid "PAH2" and resid 27 and name HG12))
2.600 0.900 0.900 peak 1134 weight 0.10000E+01 volume 0.30320E-02 ppm1 3.674 ppm2 1.164 CV 1
ASSI { 1135}
(( segid "PAH2" and resid 27 and name HA ))
( segid "PAH2" and resid 27 and name HD1%)
2.200 0.600 0.600 peak 1135 weight 0.10000E+01 volume 0.90295E-02 ppm1 3.674 ppm2 0.776 CV 1
ASSI { 1136}
(( segid "PAH2" and resid 27 and name HA ))
( segid "PAH2" and resid 27 and name HG2%)
2.300 0.700 0.700 peak 1136 weight 0.10000E+01 volume 0.61145E-02 ppm1 3.674 ppm2 -0.018 CV 1
ASSI { 1138}
(( segid "PAH2" and resid 27 and name HA ))
(( segid "PAH2" and resid 28 and name HN ))
3.500 1.600 1.600 peak 1138 weight 0.10000E+01 volume 0.50390E-03 ppm1 3.674 ppm2 6.721 CV 1
ASSI { 1140}
(( segid "PAH2" and resid 27 and name HB ))
(( segid "PAH2" and resid 27 and name HG12))
3.400 1.400 1.400 peak 1140 weight 0.10000E+01 volume 0.63071E-03 ppm1 1.510 ppm2 1.147 CV 1
ASSI { 1141}
(( segid "PAH2" and resid 27 and name HB ))
( segid "PAH2" and resid 27 and name HD1%)
3.100 1.200 1.200 peak 1141 weight 0.10000E+01 volume 0.10159E-02 ppm1 1.511 ppm2 0.745 CV 1
ASSI { 1142}
(( segid "PAH2" and resid 27 and name HB ))
( segid "PAH2" and resid 27 and name HG2%)
2.600 0.800 0.800 peak 1142 weight 0.10000E+01 volume 0.34178E-02 ppm1 1.512 ppm2 -0.018 CV 1
ASSI { 1143}
(( segid "PAH2" and resid 27 and name HB ))
(( segid "PAH2" and resid 27 and name HA ))
4.600 2.600 1.400 peak 1143 weight 0.10000E+01 volume 0.10294E-03 ppm1 1.513 ppm2 3.686 CV 1
ASSI { 1146}
( segid "PAH2" and resid 27 and name HG2%)
( segid "PAH2" and resid 27 and name HD1%)
1.900 0.400 0.400 peak 1146 weight 0.10000E+01 volume 0.23643E-01 ppm1 -0.023 ppm2 0.763 CV 1
ASSI { 1147}
( segid "PAH2" and resid 27 and name HG2%)
(( segid "PAH2" and resid 27 and name HG12))
2.600 0.800 0.800 peak 1147 weight 0.10000E+01 volume 0.34590E-02 ppm1 -0.023 ppm2 1.152 CV 1
ASSI { 1148}
( segid "PAH2" and resid 27 and name HG2%)
(( segid "PAH2" and resid 27 and name HB ))
1.900 0.400 0.400 peak 1148 weight 0.10000E+01 volume 0.21114E-01 ppm1 -0.023 ppm2 1.528 CV 1
OR { 1148}
( segid "PAH2" and resid 27 and name HG2%)
(( segid "PAH2" and resid 27 and name HG13))
ASSI { 1152}
( segid "PAH2" and resid 27 and name HG2%)
( segid "PAH2" and resid 66 and name HE% )
2.200 0.600 0.600 peak 1152 weight 0.10000E+01 volume 0.88589E-02 ppm1 -0.020 ppm2 6.690 CV 1
ASSI { 1153}
( segid "PAH2" and resid 27 and name HG2%)
( segid "PAH2" and resid 21 and name HE% )
2.400 0.700 0.700 peak 1153 weight 0.10000E+01 volume 0.51918E-02 ppm1 -0.020 ppm2 6.862 CV 1
ASSI { 1154}
( segid "PAH2" and resid 27 and name HG2%)
( segid "PAH2" and resid 21 and name HD% )
2.800 1.000 1.000 peak 1154 weight 0.10000E+01 volume 0.19991E-02 ppm1 -0.020 ppm2 7.299 CV 1
ASSI { 1156}
(( segid "PAH2" and resid 27 and name HG12))
(( segid "PAH2" and resid 27 and name HG13))
2.000 0.500 0.500 peak 1156 weight 0.10000E+01 volume 0.16042E-01 ppm1 1.150 ppm2 1.541 CV 1
ASSI { 1158}
(( segid "PAH2" and resid 27 and name HG12))
( segid "PAH2" and resid 27 and name HD1%)
2.300 0.700 0.700 peak 1158 weight 0.10000E+01 volume 0.57217E-02 ppm1 1.150 ppm2 0.751 CV 1
ASSI { 1161}
(( segid "PAH2" and resid 27 and name HG13))
( segid "PAH2" and resid 27 and name HG2%)
2.900 1.000 1.000 peak 1161 weight 0.10000E+01 volume 0.17561E-02 ppm1 1.547 ppm2 -0.015 CV 1
ASSI { 1163}
(( segid "PAH2" and resid 27 and name HG13))
(( segid "PAH2" and resid 27 and name HA ))
3.100 1.200 1.200 peak 1163 weight 0.10000E+01 volume 0.11587E-02 ppm1 1.547 ppm2 3.686 CV 1
ASSI { 1167}
( segid "PAH2" and resid 27 and name HD1%)
(( segid "PAH2" and resid 27 and name HG13))
2.000 0.500 0.500 peak 1167 weight 0.10000E+01 volume 0.14350E-01 ppm1 0.739 ppm2 1.553 CV 1
ASSI { 1168}
( segid "PAH2" and resid 27 and name HD1%)
(( segid "PAH2" and resid 24 and name HB2 ))
2.600 0.800 0.800 peak 1168 weight 0.10000E+01 volume 0.33162E-02 ppm1 0.739 ppm2 3.001 CV 1
ASSI { 1169}
( segid "PAH2" and resid 27 and name HD1%)
(( segid "PAH2" and resid 24 and name HB3 ))
2.600 0.800 0.800 peak 1169 weight 0.10000E+01 volume 0.31123E-02 ppm1 0.739 ppm2 3.447 CV 1
ASSI { 1171}
( segid "PAH2" and resid 27 and name HD1%)
(( segid "PAH2" and resid 65 and name HA ))
3.500 1.600 1.600 peak 1171 weight 0.10000E+01 volume 0.48109E-03 ppm1 0.739 ppm2 4.049 CV 1
ASSI { 1173}
( segid "PAH2" and resid 27 and name HD1%)
( segid "PAH2" and resid 21 and name HE% )
2.400 0.700 0.700 peak 1173 weight 0.10000E+01 volume 0.52528E-02 ppm1 0.739 ppm2 6.873 CV 1
ASSI { 1174}
( segid "PAH2" and resid 27 and name HD1%)
( segid "PAH2" and resid 21 and name HD% )
2.400 0.700 0.700 peak 1174 weight 0.10000E+01 volume 0.47293E-02 ppm1 0.739 ppm2 7.298 CV 1
ASSI { 1175}
( segid "PAH2" and resid 27 and name HD1%)
(( segid "PAH2" and resid 27 and name HN ))
2.700 0.900 0.900 peak 1175 weight 0.10000E+01 volume 0.25035E-02 ppm1 0.739 ppm2 8.217 CV 1
ASSI { 1176}
(( segid "PAH2" and resid 28 and name HA ))
(( segid "PAH2" and resid 31 and name HB3 ))
3.000 1.100 1.100 peak 1176 weight 0.10000E+01 volume 0.14173E-02 ppm1 4.206 ppm2 3.498 CV 1
ASSI { 1177}
(( segid "PAH2" and resid 28 and name HA ))
(( segid "PAH2" and resid 28 and name HB3 ))
2.400 0.700 0.700 peak 1177 weight 0.10000E+01 volume 0.53736E-02 ppm1 4.206 ppm2 3.247 CV 1
ASSI { 1178}
(( segid "PAH2" and resid 28 and name HA ))
(( segid "PAH2" and resid 28 and name HB2 ))
2.300 0.600 0.600 peak 1178 weight 0.10000E+01 volume 0.69650E-02 ppm1 4.206 ppm2 3.121 CV 1
ASSI { 1179}
(( segid "PAH2" and resid 28 and name HA ))
( segid "PAH2" and resid 17 and name HG2%)
2.700 0.900 0.900 peak 1179 weight 0.10000E+01 volume 0.27514E-02 ppm1 4.206 ppm2 0.808 CV 1
ASSI { 1180}
(( segid "PAH2" and resid 28 and name HA ))
(( segid "PAH2" and resid 28 and name HN ))
2.500 0.800 0.800 peak 1180 weight 0.10000E+01 volume 0.43143E-02 ppm1 4.206 ppm2 6.734 CV 1
ASSI { 1181}
(( segid "PAH2" and resid 28 and name HA ))
( segid "PAH2" and resid 28 and name HD% )
2.300 0.700 0.700 peak 1181 weight 0.10000E+01 volume 0.65018E-02 ppm1 4.207 ppm2 7.044 CV 1
ASSI { 1182}
(( segid "PAH2" and resid 28 and name HA ))
(( segid "PAH2" and resid 31 and name HN ))
3.400 1.500 1.500 peak 1182 weight 0.10000E+01 volume 0.60158E-03 ppm1 4.209 ppm2 8.134 CV 1
ASSI { 1190}
(( segid "PAH2" and resid 28 and name HB3 ))
(( segid "PAH2" and resid 29 and name HN ))
2.800 0.900 0.900 peak 1190 weight 0.10000E+01 volume 0.22108E-02 ppm1 3.268 ppm2 8.339 CV 1
ASSI { 1191}
(( segid "PAH2" and resid 29 and name HA ))
(( segid "PAH2" and resid 29 and name HD2 ))
2.600 0.900 0.900 peak 1191 weight 0.10000E+01 volume 0.30179E-02 ppm1 3.758 ppm2 3.212 CV 1
OR { 1191}
(( segid "PAH2" and resid 29 and name HA ))
(( segid "PAH2" and resid 29 and name HD3 ))
ASSI { 1192}
(( segid "PAH2" and resid 29 and name HA ))
(( segid "PAH2" and resid 29 and name HB3 ))
2.000 0.500 0.500 peak 1192 weight 0.10000E+01 volume 0.14904E-01 ppm1 3.758 ppm2 1.911 CV 1
OR { 1192}
(( segid "PAH2" and resid 29 and name HA ))
(( segid "PAH2" and resid 29 and name HB2 ))
ASSI { 1193}
(( segid "PAH2" and resid 29 and name HA ))
(( segid "PAH2" and resid 29 and name HG3 ))
2.300 0.700 0.700 peak 1193 weight 0.10000E+01 volume 0.62694E-02 ppm1 3.758 ppm2 1.699 CV 1
ASSI { 1194}
(( segid "PAH2" and resid 29 and name HA ))
(( segid "PAH2" and resid 32 and name HG ))
3.300 1.400 1.400 peak 1194 weight 0.10000E+01 volume 0.70943E-03 ppm1 3.758 ppm2 1.415 CV 1
ASSI { 1195}
(( segid "PAH2" and resid 29 and name HA ))
(( segid "PAH2" and resid 32 and name HB3 ))
3.300 1.400 1.400 peak 1195 weight 0.10000E+01 volume 0.68797E-03 ppm1 3.758 ppm2 1.152 CV 1
ASSI { 1196}
(( segid "PAH2" and resid 29 and name HA ))
( segid "PAH2" and resid 32 and name HD1%)
2.500 0.800 0.800 peak 1196 weight 0.10000E+01 volume 0.43357E-02 ppm1 3.758 ppm2 0.625 CV 1
ASSI { 1199}
(( segid "PAH2" and resid 29 and name HA ))
(( segid "PAH2" and resid 32 and name HN ))
3.200 1.300 1.300 peak 1199 weight 0.10000E+01 volume 0.83120E-03 ppm1 3.758 ppm2 7.647 CV 1
ASSI { 1200}
(( segid "PAH2" and resid 29 and name HA ))
(( segid "PAH2" and resid 29 and name HN ))
2.500 0.800 0.800 peak 1200 weight 0.10000E+01 volume 0.41211E-02 ppm1 3.758 ppm2 8.305 CV 1
ASSI { 1201}
(( segid "PAH2" and resid 29 and name HB2 ))
(( segid "PAH2" and resid 29 and name HD3 ))
2.900 1.100 1.100 peak 1201 weight 0.10000E+01 volume 0.14777E-02 ppm1 1.894 ppm2 3.212 CV 1
OR { 1201}
(( segid "PAH2" and resid 29 and name HB2 ))
(( segid "PAH2" and resid 29 and name HD2 ))
ASSI { 1202}
(( segid "PAH2" and resid 29 and name HB2 ))
(( segid "PAH2" and resid 29 and name HA ))
2.700 0.900 0.900 peak 1202 weight 0.10000E+01 volume 0.27195E-02 ppm1 1.894 ppm2 3.758 CV 1
ASSI { 1204}
(( segid "PAH2" and resid 29 and name HB3 ))
(( segid "PAH2" and resid 29 and name HD2 ))
2.800 1.000 1.000 peak 1204 weight 0.10000E+01 volume 0.21426E-02 ppm1 1.956 ppm2 3.212 CV 1
OR { 1204}
(( segid "PAH2" and resid 29 and name HB3 ))
(( segid "PAH2" and resid 29 and name HD3 ))
ASSI { 1207}
(( segid "PAH2" and resid 29 and name HG3 ))
(( segid "PAH2" and resid 29 and name HG2 ))
1.800 0.400 0.400 peak 1207 weight 0.10000E+01 volume 0.31600E-01 ppm1 1.675 ppm2 1.892 CV 1
ASSI { 1208}
(( segid "PAH2" and resid 29 and name HG3 ))
(( segid "PAH2" and resid 29 and name HD2 ))
2.200 0.600 0.600 peak 1208 weight 0.10000E+01 volume 0.80632E-02 ppm1 1.675 ppm2 3.212 CV 1
OR { 1208}
(( segid "PAH2" and resid 29 and name HG3 ))
(( segid "PAH2" and resid 29 and name HD3 ))
ASSI { 1210}
(( segid "PAH2" and resid 29 and name HG3 ))
(( segid "PAH2" and resid 29 and name HN ))
2.800 1.000 1.000 peak 1210 weight 0.10000E+01 volume 0.19714E-02 ppm1 1.675 ppm2 8.314 CV 1
ASSI { 1212}
(( segid "PAH2" and resid 29 and name HG2 ))
(( segid "PAH2" and resid 29 and name HD3 ))
2.500 0.800 0.800 peak 1212 weight 0.10000E+01 volume 0.35578E-02 ppm1 1.888 ppm2 3.212 CV 1
OR { 1212}
(( segid "PAH2" and resid 29 and name HG2 ))
(( segid "PAH2" and resid 29 and name HD2 ))
ASSI { 1216}
(( segid "PAH2" and resid 29 and name HD2 ))
(( segid "PAH2" and resid 29 and name HG3 ))
2.400 0.700 0.700 peak 1216 weight 0.10000E+01 volume 0.51151E-02 ppm1 3.172 ppm2 1.679 CV 1
ASSI { 1217}
(( segid "PAH2" and resid 29 and name HD2 ))
(( segid "PAH2" and resid 29 and name HA ))
2.800 1.000 1.000 peak 1217 weight 0.10000E+01 volume 0.19721E-02 ppm1 3.172 ppm2 3.758 CV 1
ASSI { 1219}
(( segid "PAH2" and resid 29 and name HD3 ))
(( segid "PAH2" and resid 29 and name HG2 ))
2.300 0.600 0.600 peak 1219 weight 0.10000E+01 volume 0.73529E-02 ppm1 3.239 ppm2 1.905 CV 1
OR { 1219}
(( segid "PAH2" and resid 29 and name HD2 ))
(( segid "PAH2" and resid 29 and name HG2 ))
OR { 1219}
(( segid "PAH2" and resid 29 and name HD2 ))
(( segid "PAH2" and resid 29 and name HB3 ))
OR { 1219}
(( segid "PAH2" and resid 29 and name HD3 ))
(( segid "PAH2" and resid 29 and name HB3 ))
ASSI { 1220}
(( segid "PAH2" and resid 29 and name HD3 ))
(( segid "PAH2" and resid 29 and name HG3 ))
2.500 0.800 0.800 peak 1220 weight 0.10000E+01 volume 0.39428E-02 ppm1 3.239 ppm2 1.672 CV 1
ASSI { 1221}
(( segid "PAH2" and resid 29 and name HD3 ))
(( segid "PAH2" and resid 29 and name HA ))
2.900 1.100 1.100 peak 1221 weight 0.10000E+01 volume 0.14634E-02 ppm1 3.239 ppm2 3.758 CV 1
ASSI { 1223}
(( segid "PAH2" and resid 30 and name HA ))
( segid "PAH2" and resid 65 and name HD1%)
3.400 1.400 1.400 peak 1223 weight 0.10000E+01 volume 0.65636E-03 ppm1 4.181 ppm2 0.788 CV 1
OR { 1223}
(( segid "PAH2" and resid 30 and name HA ))
( segid "PAH2" and resid 65 and name HD2%)
ASSI { 1225}
(( segid "PAH2" and resid 30 and name HA ))
(( segid "PAH2" and resid 30 and name HB2 ))
2.300 0.700 0.700 peak 1225 weight 0.10000E+01 volume 0.62865E-02 ppm1 4.181 ppm2 3.899 CV 1
OR { 1225}
(( segid "PAH2" and resid 30 and name HA ))
(( segid "PAH2" and resid 30 and name HB3 ))
ASSI { 1226}
(( segid "PAH2" and resid 30 and name HA ))
(( segid "PAH2" and resid 31 and name HN ))
2.900 1.100 1.100 peak 1226 weight 0.10000E+01 volume 0.14947E-02 ppm1 4.181 ppm2 8.101 CV 1
ASSI { 1229}
(( segid "PAH2" and resid 30 and name HB3 ))
( segid "PAH2" and resid 65 and name HD1%)
2.400 0.700 0.700 peak 1229 weight 0.10000E+01 volume 0.50135E-02 ppm1 3.889 ppm2 0.807 CV 1
OR { 1229}
(( segid "PAH2" and resid 30 and name HB2 ))
( segid "PAH2" and resid 65 and name HD1%)
OR { 1229}
(( segid "PAH2" and resid 30 and name HB3 ))
( segid "PAH2" and resid 65 and name HD2%)
ASSI { 1231}
(( segid "PAH2" and resid 30 and name HB3 ))
(( segid "PAH2" and resid 31 and name HN ))
3.400 1.400 1.400 peak 1231 weight 0.10000E+01 volume 0.62958E-03 ppm1 3.890 ppm2 8.101 CV 1
OR { 1231}
(( segid "PAH2" and resid 30 and name HB2 ))
(( segid "PAH2" and resid 31 and name HN ))
ASSI { 1232}
(( segid "PAH2" and resid 31 and name HA ))
( segid "PAH2" and resid 31 and name HD% )
2.400 0.700 0.700 peak 1232 weight 0.10000E+01 volume 0.47008E-02 ppm1 3.880 ppm2 6.842 CV 1
ASSI { 1233}
(( segid "PAH2" and resid 31 and name HA ))
(( segid "PAH2" and resid 31 and name HN ))
2.500 0.800 0.800 peak 1233 weight 0.10000E+01 volume 0.35897E-02 ppm1 3.880 ppm2 8.126 CV 1
ASSI { 1235}
(( segid "PAH2" and resid 31 and name HA ))
(( segid "PAH2" and resid 31 and name HB2 ))
2.500 0.800 0.800 peak 1235 weight 0.10000E+01 volume 0.37120E-02 ppm1 3.880 ppm2 3.028 CV 1
ASSI { 1236}
(( segid "PAH2" and resid 31 and name HA ))
( segid "PAH2" and resid 65 and name HD1%)
2.000 0.500 0.500 peak 1236 weight 0.10000E+01 volume 0.15850E-01 ppm1 3.880 ppm2 0.773 CV 1
ASSI { 1237}
(( segid "PAH2" and resid 31 and name HB2 ))
( segid "PAH2" and resid 65 and name HD1%)
2.700 0.900 0.900 peak 1237 weight 0.10000E+01 volume 0.25504E-02 ppm1 3.028 ppm2 0.788 CV 1
ASSI { 1238}
(( segid "PAH2" and resid 31 and name HB2 ))
(( segid "PAH2" and resid 31 and name HB3 ))
2.500 0.800 0.800 peak 1238 weight 0.10000E+01 volume 0.41645E-02 ppm1 3.028 ppm2 3.495 CV 1
ASSI { 1240}
(( segid "PAH2" and resid 31 and name HB2 ))
( segid "PAH2" and resid 31 and name HD% )
2.700 0.900 0.900 peak 1240 weight 0.10000E+01 volume 0.24779E-02 ppm1 3.028 ppm2 6.856 CV 1
ASSI { 1246}
(( segid "PAH2" and resid 31 and name HB3 ))
( segid "PAH2" and resid 31 and name HD% )
2.600 0.800 0.800 peak 1246 weight 0.10000E+01 volume 0.34072E-02 ppm1 3.499 ppm2 6.847 CV 1
ASSI { 1249}
(( segid "PAH2" and resid 32 and name HA ))
(( segid "PAH2" and resid 32 and name HN ))
3.000 1.100 1.100 peak 1249 weight 0.10000E+01 volume 0.12716E-02 ppm1 3.455 ppm2 7.662 CV 1
ASSI { 1251}
(( segid "PAH2" and resid 32 and name HA ))
(( segid "PAH2" and resid 32 and name HB2 ))
2.400 0.700 0.700 peak 1251 weight 0.10000E+01 volume 0.52664E-02 ppm1 3.455 ppm2 1.767 CV 1
ASSI { 1252}
(( segid "PAH2" and resid 32 and name HA ))
(( segid "PAH2" and resid 32 and name HG ))
2.600 0.900 0.900 peak 1252 weight 0.10000E+01 volume 0.29887E-02 ppm1 3.455 ppm2 1.390 CV 1
ASSI { 1253}
(( segid "PAH2" and resid 32 and name HA ))
(( segid "PAH2" and resid 32 and name HB3 ))
2.300 0.700 0.700 peak 1253 weight 0.10000E+01 volume 0.59675E-02 ppm1 3.455 ppm2 1.154 CV 1
ASSI { 1254}
(( segid "PAH2" and resid 32 and name HA ))
( segid "PAH2" and resid 32 and name HD2%)
2.000 0.500 0.500 peak 1254 weight 0.10000E+01 volume 0.15714E-01 ppm1 3.455 ppm2 0.625 CV 1
ASSI { 1255}
(( segid "PAH2" and resid 32 and name HA ))
( segid "PAH2" and resid 35 and name HD1%)
2.600 0.800 0.800 peak 1255 weight 0.10000E+01 volume 0.33980E-02 ppm1 3.455 ppm2 0.462 CV 1
ASSI { 1256}
(( segid "PAH2" and resid 32 and name HB3 ))
( segid "PAH2" and resid 32 and name HD1%)
2.300 0.700 0.700 peak 1256 weight 0.10000E+01 volume 0.58098E-02 ppm1 1.154 ppm2 0.625 CV 1
ASSI { 1262}
(( segid "PAH2" and resid 32 and name HB2 ))
(( segid "PAH2" and resid 32 and name HG ))
2.900 1.100 1.100 peak 1262 weight 0.10000E+01 volume 0.14791E-02 ppm1 1.766 ppm2 1.403 CV 1
ASSI { 1263}
(( segid "PAH2" and resid 32 and name HB2 ))
(( segid "PAH2" and resid 32 and name HB3 ))
2.200 0.600 0.600 peak 1263 weight 0.10000E+01 volume 0.80065E-02 ppm1 1.766 ppm2 1.154 CV 1
ASSI { 1264}
(( segid "PAH2" and resid 32 and name HB2 ))
( segid "PAH2" and resid 32 and name HD1%)
2.300 0.700 0.700 peak 1264 weight 0.10000E+01 volume 0.64520E-02 ppm1 1.766 ppm2 0.625 CV 1
OR { 1264}
(( segid "PAH2" and resid 32 and name HB2 ))
( segid "PAH2" and resid 32 and name HD2%)
ASSI { 1268}
(( segid "PAH2" and resid 32 and name HG ))
( segid "PAH2" and resid 32 and name HD2%)
2.100 0.500 0.500 peak 1268 weight 0.10000E+01 volume 0.12220E-01 ppm1 1.395 ppm2 0.625 CV 1
OR { 1268}
(( segid "PAH2" and resid 32 and name HG ))
( segid "PAH2" and resid 32 and name HD1%)
ASSI { 1269}
(( segid "PAH2" and resid 32 and name HG ))
(( segid "PAH2" and resid 32 and name HB3 ))
2.900 1.100 1.100 peak 1269 weight 0.10000E+01 volume 0.15296E-02 ppm1 1.395 ppm2 1.154 CV 1
ASSI { 1273}
( segid "PAH2" and resid 32 and name HD2%)
(( segid "PAH2" and resid 32 and name HB3 ))
2.100 0.500 0.500 peak 1273 weight 0.10000E+01 volume 0.11509E-01 ppm1 0.612 ppm2 1.154 CV 1
ASSI { 1274}
( segid "PAH2" and resid 32 and name HD2%)
(( segid "PAH2" and resid 32 and name HG ))
2.200 0.600 0.600 peak 1274 weight 0.10000E+01 volume 0.88235E-02 ppm1 0.612 ppm2 1.403 CV 1
ASSI { 1275}
( segid "PAH2" and resid 32 and name HD2%)
( segid "MAD1" and resid 209 and name HB% )
2.100 0.600 0.600 peak 1275 weight 0.10000E+01 volume 0.10528E-01 ppm1 0.612 ppm2 1.666 CV 1
ASSI { 1276}
( segid "PAH2" and resid 32 and name HD2%)
(( segid "PAH2" and resid 32 and name HB2 ))
2.400 0.700 0.700 peak 1276 weight 0.10000E+01 volume 0.54162E-02 ppm1 0.612 ppm2 1.779 CV 1
ASSI { 1278}
( segid "PAH2" and resid 32 and name HD2%)
(( segid "MAD1" and resid 206 and name HA ))
3.300 1.400 1.400 peak 1278 weight 0.10000E+01 volume 0.69053E-03 ppm1 0.612 ppm2 3.962 CV 1
ASSI { 1280}
( segid "PAH2" and resid 32 and name HD2%)
( segid "PAH2" and resid 31 and name HD% )
2.200 0.600 0.600 peak 1280 weight 0.10000E+01 volume 0.80349E-02 ppm1 0.612 ppm2 6.847 CV 1
ASSI { 1281}
( segid "PAH2" and resid 32 and name HD2%)
(( segid "PAH2" and resid 32 and name HN ))
2.900 1.000 1.000 peak 1281 weight 0.10000E+01 volume 0.17832E-02 ppm1 0.612 ppm2 7.662 CV 1
ASSI { 1282}
( segid "PAH2" and resid 32 and name HD2%)
(( segid "PAH2" and resid 33 and name HN ))
3.600 1.600 1.600 peak 1282 weight 0.10000E+01 volume 0.45147E-03 ppm1 0.612 ppm2 8.076 CV 1
ASSI { 1284}
( segid "PAH2" and resid 32 and name HD1%)
(( segid "PAH2" and resid 32 and name HG ))
2.100 0.500 0.500 peak 1284 weight 0.10000E+01 volume 0.12020E-01 ppm1 0.614 ppm2 1.403 CV 1
ASSI { 1285}
( segid "PAH2" and resid 32 and name HD1%)
( segid "MAD1" and resid 209 and name HB% )
2.300 0.700 0.700 peak 1285 weight 0.10000E+01 volume 0.63284E-02 ppm1 0.614 ppm2 1.666 CV 1
ASSI { 1286}
( segid "PAH2" and resid 32 and name HD1%)
(( segid "PAH2" and resid 32 and name HB2 ))
2.200 0.600 0.600 peak 1286 weight 0.10000E+01 volume 0.77933E-02 ppm1 0.614 ppm2 1.779 CV 1
ASSI { 1287}
( segid "PAH2" and resid 32 and name HD1%)
(( segid "PAH2" and resid 32 and name HA ))
3.200 1.300 1.300 peak 1287 weight 0.10000E+01 volume 0.91502E-03 ppm1 0.614 ppm2 3.472 CV 1
ASSI { 1291}
( segid "PAH2" and resid 32 and name HD1%)
(( segid "PAH2" and resid 32 and name HN ))
3.000 1.100 1.100 peak 1291 weight 0.10000E+01 volume 0.13867E-02 ppm1 0.614 ppm2 7.653 CV 1
ASSI { 1292}
( segid "PAH2" and resid 32 and name HD1%)
(( segid "PAH2" and resid 33 and name HN ))
3.800 1.800 1.800 peak 1292 weight 0.10000E+01 volume 0.30533E-03 ppm1 0.614 ppm2 8.063 CV 1
ASSI { 1294}
(( segid "PAH2" and resid 34 and name HA ))
(( segid "PAH2" and resid 37 and name HB ))
2.700 0.900 0.900 peak 1294 weight 0.10000E+01 volume 0.27529E-02 ppm1 3.709 ppm2 4.426 CV 1
ASSI { 1296}
(( segid "PAH2" and resid 34 and name HA ))
(( segid "PAH2" and resid 34 and name HN ))
2.500 0.800 0.800 peak 1296 weight 0.10000E+01 volume 0.40707E-02 ppm1 3.709 ppm2 8.024 CV 1
ASSI { 1298}
(( segid "PAH2" and resid 34 and name HA ))
( segid "PAH2" and resid 53 and name HE% )
3.100 1.200 1.200 peak 1298 weight 0.10000E+01 volume 0.10010E-02 ppm1 3.709 ppm2 2.090 CV 1
ASSI { 1299}
(( segid "PAH2" and resid 34 and name HA ))
(( segid "PAH2" and resid 34 and name HG13))
2.200 0.600 0.600 peak 1299 weight 0.10000E+01 volume 0.78288E-02 ppm1 3.709 ppm2 1.790 CV 1
OR { 1299}
(( segid "PAH2" and resid 34 and name HA ))
(( segid "PAH2" and resid 34 and name HB ))
ASSI { 1300}
(( segid "PAH2" and resid 34 and name HA ))
( segid "PAH2" and resid 37 and name HG2%)
3.300 1.300 1.300 peak 1300 weight 0.10000E+01 volume 0.81486E-03 ppm1 3.709 ppm2 1.277 CV 1
ASSI { 1301}
(( segid "PAH2" and resid 34 and name HA ))
(( segid "PAH2" and resid 34 and name HG12))
2.400 0.700 0.700 peak 1301 weight 0.10000E+01 volume 0.48827E-02 ppm1 3.709 ppm2 1.053 CV 1
ASSI { 1302}
(( segid "PAH2" and resid 34 and name HA ))
( segid "PAH2" and resid 34 and name HG2%)
2.100 0.500 0.500 peak 1302 weight 0.10000E+01 volume 0.12766E-01 ppm1 3.709 ppm2 0.765 CV 1
ASSI { 1303}
(( segid "PAH2" and resid 34 and name HB ))
(( segid "PAH2" and resid 34 and name HG12))
2.800 1.000 1.000 peak 1303 weight 0.10000E+01 volume 0.20936E-02 ppm1 1.809 ppm2 1.053 CV 1
ASSI { 1304}
(( segid "PAH2" and resid 34 and name HB ))
( segid "PAH2" and resid 34 and name HG2%)
2.000 0.500 0.500 peak 1304 weight 0.10000E+01 volume 0.15153E-01 ppm1 1.809 ppm2 0.765 CV 1
ASSI { 1305}
(( segid "PAH2" and resid 34 and name HB ))
(( segid "PAH2" and resid 34 and name HA ))
3.600 1.600 1.600 peak 1305 weight 0.10000E+01 volume 0.43414E-03 ppm1 1.809 ppm2 3.714 CV 1
ASSI { 1306}
(( segid "PAH2" and resid 34 and name HB ))
(( segid "PAH2" and resid 35 and name HN ))
3.000 1.100 1.100 peak 1306 weight 0.10000E+01 volume 0.12603E-02 ppm1 1.809 ppm2 7.350 CV 1
ASSI { 1307}
(( segid "PAH2" and resid 34 and name HB ))
(( segid "PAH2" and resid 34 and name HN ))
2.500 0.800 0.800 peak 1307 weight 0.10000E+01 volume 0.38697E-02 ppm1 1.809 ppm2 8.024 CV 1
ASSI { 1308}
( segid "PAH2" and resid 34 and name HG2%)
( segid "PAH2" and resid 62 and name HG2%)
2.000 0.500 0.500 peak 1308 weight 0.10000E+01 volume 0.17391E-01 ppm1 0.768 ppm2 0.565 CV 1
ASSI { 1310}
( segid "PAH2" and resid 34 and name HG2%)
(( segid "PAH2" and resid 34 and name HG12))
2.500 0.800 0.800 peak 1310 weight 0.10000E+01 volume 0.36210E-02 ppm1 0.768 ppm2 1.065 CV 1
ASSI { 1312}
( segid "PAH2" and resid 34 and name HG2%)
(( segid "PAH2" and resid 61 and name HB2 ))
2.100 0.600 0.600 peak 1312 weight 0.10000E+01 volume 0.99956E-02 ppm1 0.768 ppm2 2.052 CV 1
OR { 1312}
( segid "PAH2" and resid 34 and name HG2%)
(( segid "PAH2" and resid 61 and name HB3 ))
ASSI { 1313}
( segid "PAH2" and resid 34 and name HG2%)
(( segid "PAH2" and resid 57 and name HG3 ))
2.900 1.100 1.100 peak 1313 weight 0.10000E+01 volume 0.15075E-02 ppm1 0.768 ppm2 2.360 CV 1
OR { 1313}
( segid "PAH2" and resid 34 and name HG2%)
(( segid "PAH2" and resid 57 and name HG2 ))
ASSI { 1314}
( segid "PAH2" and resid 34 and name HG2%)
(( segid "PAH2" and resid 58 and name HA ))
2.600 0.900 0.900 peak 1314 weight 0.10000E+01 volume 0.27842E-02 ppm1 0.768 ppm2 3.564 CV 1
ASSI { 1318}
( segid "PAH2" and resid 34 and name HG2%)
( segid "PAH2" and resid 76 and name HE% )
3.700 1.700 1.700 peak 1318 weight 0.10000E+01 volume 0.39798E-03 ppm1 0.768 ppm2 7.050 CV 1
ASSI { 1319}
( segid "PAH2" and resid 34 and name HG2%)
(( segid "PAH2" and resid 35 and name HN ))
2.700 0.900 0.900 peak 1319 weight 0.10000E+01 volume 0.22804E-02 ppm1 0.768 ppm2 7.338 CV 1
ASSI { 1321}
( segid "PAH2" and resid 34 and name HG2%)
(( segid "PAH2" and resid 62 and name HN ))
3.400 1.400 1.400 peak 1321 weight 0.10000E+01 volume 0.63795E-03 ppm1 0.768 ppm2 8.349 CV 1
ASSI { 1322}
(( segid "PAH2" and resid 34 and name HG12))
( segid "PAH2" and resid 34 and name HD1%)
2.100 0.500 0.500 peak 1322 weight 0.10000E+01 volume 0.12461E-01 ppm1 1.047 ppm2 0.740 CV 1
OR { 1322}
(( segid "PAH2" and resid 34 and name HG12))
( segid "PAH2" and resid 34 and name HG2%)
ASSI { 1323}
(( segid "PAH2" and resid 34 and name HG12))
(( segid "PAH2" and resid 34 and name HG13))
2.000 0.500 0.500 peak 1323 weight 0.10000E+01 volume 0.16560E-01 ppm1 1.047 ppm2 1.752 CV 1
ASSI { 1325}
(( segid "PAH2" and resid 34 and name HG12))
(( segid "PAH2" and resid 34 and name HN ))
2.900 1.100 1.100 peak 1325 weight 0.10000E+01 volume 0.15402E-02 ppm1 1.047 ppm2 8.024 CV 1
ASSI { 1327}
(( segid "PAH2" and resid 34 and name HG13))
( segid "PAH2" and resid 34 and name HD1%)
2.200 0.600 0.600 peak 1327 weight 0.10000E+01 volume 0.94344E-02 ppm1 1.748 ppm2 0.728 CV 1
ASSI { 1328}
(( segid "PAH2" and resid 34 and name HG13))
(( segid "PAH2" and resid 61 and name HB3 ))
2.600 0.900 0.900 peak 1328 weight 0.10000E+01 volume 0.30307E-02 ppm1 1.748 ppm2 2.052 CV 1
OR { 1328}
(( segid "PAH2" and resid 34 and name HG13))
(( segid "PAH2" and resid 61 and name HB2 ))
ASSI { 1329}
(( segid "PAH2" and resid 34 and name HG13))
(( segid "PAH2" and resid 34 and name HA ))
3.100 1.200 1.200 peak 1329 weight 0.10000E+01 volume 0.10961E-02 ppm1 1.748 ppm2 3.701 CV 1
ASSI { 1330}
(( segid "PAH2" and resid 34 and name HG13))
(( segid "PAH2" and resid 34 and name HN ))
2.700 0.900 0.900 peak 1330 weight 0.10000E+01 volume 0.26023E-02 ppm1 1.748 ppm2 8.024 CV 1
ASSI { 1331}
( segid "PAH2" and resid 34 and name HD1%)
( segid "PAH2" and resid 62 and name HG2%)
2.200 0.600 0.600 peak 1331 weight 0.10000E+01 volume 0.81627E-02 ppm1 0.703 ppm2 0.553 CV 1
ASSI { 1333}
( segid "PAH2" and resid 34 and name HD1%)
(( segid "PAH2" and resid 34 and name HG12))
2.200 0.600 0.600 peak 1333 weight 0.10000E+01 volume 0.95196E-02 ppm1 0.703 ppm2 1.053 CV 1
ASSI { 1334}
( segid "PAH2" and resid 34 and name HD1%)
(( segid "PAH2" and resid 34 and name HG13))
1.900 0.500 0.500 peak 1334 weight 0.10000E+01 volume 0.20560E-01 ppm1 0.703 ppm2 1.765 CV 1
OR { 1334}
( segid "PAH2" and resid 34 and name HD1%)
(( segid "PAH2" and resid 34 and name HB ))
ASSI { 1335}
( segid "PAH2" and resid 34 and name HD1%)
(( segid "PAH2" and resid 61 and name HB3 ))
2.100 0.600 0.600 peak 1335 weight 0.10000E+01 volume 0.11174E-01 ppm1 0.703 ppm2 2.040 CV 1
ASSI { 1337}
( segid "PAH2" and resid 34 and name HD1%)
(( segid "PAH2" and resid 62 and name HA ))
2.600 0.800 0.800 peak 1337 weight 0.10000E+01 volume 0.34398E-02 ppm1 0.703 ppm2 3.002 CV 1
ASSI { 1338}
( segid "PAH2" and resid 34 and name HD1%)
(( segid "PAH2" and resid 34 and name HA ))
2.700 0.900 0.900 peak 1338 weight 0.10000E+01 volume 0.25852E-02 ppm1 0.703 ppm2 3.701 CV 1
ASSI { 1339}
( segid "PAH2" and resid 34 and name HD1%)
(( segid "PAH2" and resid 31 and name HA ))
2.300 0.700 0.700 peak 1339 weight 0.10000E+01 volume 0.64541E-02 ppm1 0.703 ppm2 3.876 CV 1
ASSI { 1340}
( segid "PAH2" and resid 34 and name HD1%)
(( segid "PAH2" and resid 61 and name HA ))
2.800 1.000 1.000 peak 1340 weight 0.10000E+01 volume 0.19600E-02 ppm1 0.703 ppm2 4.076 CV 1
ASSI { 1341}
( segid "PAH2" and resid 34 and name HD1%)
( segid "PAH2" and resid 31 and name HD% )
3.000 1.100 1.100 peak 1341 weight 0.10000E+01 volume 0.12525E-02 ppm1 0.704 ppm2 6.840 CV 1
ASSI { 1342}
( segid "PAH2" and resid 34 and name HD1%)
(( segid "PAH2" and resid 35 and name HN ))
3.600 1.600 1.600 peak 1342 weight 0.10000E+01 volume 0.45204E-03 ppm1 0.703 ppm2 7.350 CV 1
ASSI { 1344}
( segid "PAH2" and resid 34 and name HD1%)
(( segid "PAH2" and resid 62 and name HN ))
3.400 1.400 1.400 peak 1344 weight 0.10000E+01 volume 0.66204E-03 ppm1 0.703 ppm2 8.349 CV 1
ASSI { 1345}
(( segid "PAH2" and resid 35 and name HA ))
(( segid "PAH2" and resid 38 and name HB3 ))
2.700 0.900 0.900 peak 1345 weight 0.10000E+01 volume 0.25248E-02 ppm1 3.839 ppm2 3.177 CV 1
OR { 1345}
(( segid "PAH2" and resid 35 and name HA ))
(( segid "PAH2" and resid 38 and name HB2 ))
ASSI { 1346}
(( segid "PAH2" and resid 35 and name HA ))
(( segid "PAH2" and resid 35 and name HB3 ))
3.000 1.100 1.100 peak 1346 weight 0.10000E+01 volume 0.13385E-02 ppm1 3.839 ppm2 1.740 CV 1
ASSI { 1347}
(( segid "PAH2" and resid 35 and name HA ))
(( segid "PAH2" and resid 35 and name HG ))
3.100 1.200 1.200 peak 1347 weight 0.10000E+01 volume 0.99459E-03 ppm1 3.839 ppm2 1.390 CV 1
ASSI { 1348}
(( segid "PAH2" and resid 35 and name HA ))
(( segid "PAH2" and resid 35 and name HB2 ))
2.800 1.000 1.000 peak 1348 weight 0.10000E+01 volume 0.21021E-02 ppm1 3.839 ppm2 1.165 CV 1
ASSI { 1349}
(( segid "PAH2" and resid 35 and name HA ))
( segid "MAD1" and resid 202 and name HG2%)
3.200 1.300 1.300 peak 1349 weight 0.10000E+01 volume 0.93278E-03 ppm1 3.839 ppm2 1.015 CV 1
ASSI { 1350}
(( segid "PAH2" and resid 35 and name HA ))
( segid "PAH2" and resid 58 and name HG1%)
2.900 1.100 1.100 peak 1350 weight 0.10000E+01 volume 0.14719E-02 ppm1 3.839 ppm2 0.790 CV 1
OR { 1350}
(( segid "PAH2" and resid 35 and name HA ))
( segid "PAH2" and resid 58 and name HG2%)
ASSI { 1351}
(( segid "PAH2" and resid 35 and name HA ))
( segid "PAH2" and resid 35 and name HD2%)
2.100 0.600 0.600 peak 1351 weight 0.10000E+01 volume 0.10244E-01 ppm1 3.839 ppm2 0.578 CV 1
ASSI { 1352}
(( segid "PAH2" and resid 35 and name HA ))
( segid "PAH2" and resid 35 and name HD1%)
3.000 1.100 1.100 peak 1352 weight 0.10000E+01 volume 0.14386E-02 ppm1 3.839 ppm2 0.440 CV 1
ASSI { 1355}
(( segid "PAH2" and resid 35 and name HA ))
(( segid "PAH2" and resid 38 and name HN ))
3.600 1.600 1.600 peak 1355 weight 0.10000E+01 volume 0.46952E-03 ppm1 3.839 ppm2 8.199 CV 1
ASSI { 1356}
(( segid "PAH2" and resid 35 and name HB2 ))
( segid "MAD1" and resid 202 and name HG2%)
3.400 1.400 1.400 peak 1356 weight 0.10000E+01 volume 0.63448E-03 ppm1 1.141 ppm2 0.990 CV 1
ASSI { 1358}
(( segid "PAH2" and resid 35 and name HB2 ))
( segid "PAH2" and resid 35 and name HD1%)
2.500 0.800 0.800 peak 1358 weight 0.10000E+01 volume 0.41716E-02 ppm1 1.141 ppm2 0.440 CV 1
ASSI { 1361}
(( segid "PAH2" and resid 35 and name HB2 ))
(( segid "PAH2" and resid 35 and name HN ))
4.300 2.300 1.700 peak 1361 weight 0.10000E+01 volume 0.15714E-03 ppm1 1.141 ppm2 7.362 CV 1
ASSI { 1362}
(( segid "PAH2" and resid 35 and name HB3 ))
(( segid "PAH2" and resid 35 and name HG ))
3.200 1.300 1.300 peak 1362 weight 0.10000E+01 volume 0.94060E-03 ppm1 1.724 ppm2 1.377 CV 1
ASSI { 1363}
(( segid "PAH2" and resid 35 and name HB3 ))
(( segid "PAH2" and resid 35 and name HB2 ))
2.600 0.800 0.800 peak 1363 weight 0.10000E+01 volume 0.31223E-02 ppm1 1.724 ppm2 1.153 CV 1
ASSI { 1369}
(( segid "PAH2" and resid 35 and name HG ))
( segid "PAH2" and resid 35 and name HD1%)
2.100 0.600 0.600 peak 1369 weight 0.10000E+01 volume 0.10713E-01 ppm1 1.363 ppm2 0.428 CV 1
ASSI { 1370}
(( segid "PAH2" and resid 35 and name HG ))
( segid "PAH2" and resid 35 and name HD2%)
2.200 0.600 0.600 peak 1370 weight 0.10000E+01 volume 0.74737E-02 ppm1 1.363 ppm2 0.578 CV 1
ASSI { 1371}
(( segid "PAH2" and resid 35 and name HG ))
(( segid "PAH2" and resid 35 and name HB2 ))
3.100 1.200 1.200 peak 1371 weight 0.10000E+01 volume 0.99245E-03 ppm1 1.363 ppm2 1.153 CV 1
ASSI { 1374}
( segid "PAH2" and resid 35 and name HD2%)
( segid "PAH2" and resid 58 and name HG1%)
1.900 0.500 0.500 peak 1374 weight 0.10000E+01 volume 0.20531E-01 ppm1 0.553 ppm2 0.790 CV 1
ASSI { 1375}
( segid "PAH2" and resid 35 and name HD2%)
( segid "MAD1" and resid 202 and name HG2%)
2.200 0.600 0.600 peak 1375 weight 0.10000E+01 volume 0.83972E-02 ppm1 0.553 ppm2 0.990 CV 1
ASSI { 1378}
( segid "PAH2" and resid 35 and name HD2%)
(( segid "PAH2" and resid 35 and name HB3 ))
2.400 0.700 0.700 peak 1378 weight 0.10000E+01 volume 0.48735E-02 ppm1 0.553 ppm2 1.715 CV 1
ASSI { 1380}
( segid "PAH2" and resid 35 and name HD2%)
(( segid "PAH2" and resid 38 and name HB3 ))
3.400 1.400 1.400 peak 1380 weight 0.10000E+01 volume 0.63142E-03 ppm1 0.553 ppm2 3.177 CV 1
OR { 1380}
( segid "PAH2" and resid 35 and name HD2%)
(( segid "PAH2" and resid 38 and name HB2 ))
ASSI { 1383}
( segid "PAH2" and resid 35 and name HD2%)
(( segid "PAH2" and resid 76 and name HZ ))
2.200 0.600 0.600 peak 1383 weight 0.10000E+01 volume 0.78644E-02 ppm1 0.553 ppm2 6.850 CV 1
ASSI { 1384}
( segid "PAH2" and resid 35 and name HD2%)
( segid "PAH2" and resid 76 and name HE% )
2.300 0.700 0.700 peak 1384 weight 0.10000E+01 volume 0.61757E-02 ppm1 0.553 ppm2 7.100 CV 1
ASSI { 1386}
( segid "PAH2" and resid 35 and name HD1%)
( segid "PAH2" and resid 35 and name HD2%)
2.000 0.500 0.500 peak 1386 weight 0.10000E+01 volume 0.16311E-01 ppm1 0.415 ppm2 0.565 CV 1
ASSI { 1391}
( segid "PAH2" and resid 35 and name HD1%)
(( segid "PAH2" and resid 35 and name HB3 ))
2.400 0.700 0.700 peak 1391 weight 0.10000E+01 volume 0.45261E-02 ppm1 0.415 ppm2 1.727 CV 1
ASSI { 1396}
( segid "PAH2" and resid 35 and name HD1%)
( segid "PAH2" and resid 76 and name HE% )
2.900 1.000 1.000 peak 1396 weight 0.10000E+01 volume 0.17604E-02 ppm1 0.416 ppm2 7.098 CV 1
ASSI { 1397}
( segid "PAH2" and resid 35 and name HD1%)
(( segid "PAH2" and resid 35 and name HN ))
2.700 0.900 0.900 peak 1397 weight 0.10000E+01 volume 0.26442E-02 ppm1 0.417 ppm2 7.343 CV 1
ASSI { 1398}
(( segid "PAH2" and resid 36 and name HA ))
(( segid "PAH2" and resid 36 and name HB3 ))
2.200 0.600 0.600 peak 1398 weight 0.10000E+01 volume 0.92639E-02 ppm1 4.225 ppm2 3.252 CV 1
OR { 1398}
(( segid "PAH2" and resid 36 and name HA ))
(( segid "PAH2" and resid 36 and name HB2 ))
ASSI { 1399}
(( segid "PAH2" and resid 36 and name HA ))
(( segid "PAH2" and resid 39 and name HG3 ))
3.300 1.400 1.400 peak 1399 weight 0.10000E+01 volume 0.75163E-03 ppm1 4.225 ppm2 2.389 CV 1
OR { 1399}
(( segid "PAH2" and resid 36 and name HA ))
(( segid "PAH2" and resid 39 and name HG2 ))
ASSI { 1400}
(( segid "PAH2" and resid 36 and name HA ))
(( segid "PAH2" and resid 39 and name HB2 ))
2.600 0.800 0.800 peak 1400 weight 0.10000E+01 volume 0.33709E-02 ppm1 4.225 ppm2 2.140 CV 1
OR { 1400}
(( segid "PAH2" and resid 36 and name HA ))
(( segid "PAH2" and resid 39 and name HB3 ))
ASSI { 1401}
(( segid "PAH2" and resid 36 and name HA ))
( segid "MAD1" and resid 206 and name HD2%)
2.500 0.800 0.800 peak 1401 weight 0.10000E+01 volume 0.42668E-02 ppm1 4.225 ppm2 0.578 CV 1
ASSI { 1405}
(( segid "PAH2" and resid 36 and name HB3 ))
(( segid "PAH2" and resid 36 and name HA ))
2.600 0.800 0.800 peak 1405 weight 0.10000E+01 volume 0.33603E-02 ppm1 3.178 ppm2 4.226 CV 1
ASSI { 1406}
(( segid "PAH2" and resid 36 and name HB3 ))
(( segid "PAH2" and resid 37 and name HN ))
3.800 1.800 1.800 peak 1406 weight 0.10000E+01 volume 0.34022E-03 ppm1 3.178 ppm2 8.562 CV 1
ASSI { 1407}
(( segid "PAH2" and resid 36 and name HB3 ))
(( segid "PAH2" and resid 36 and name HN ))
2.700 0.900 0.900 peak 1407 weight 0.10000E+01 volume 0.22578E-02 ppm1 3.178 ppm2 8.749 CV 1
ASSI { 1408}
(( segid "PAH2" and resid 36 and name HB2 ))
(( segid "PAH2" and resid 33 and name HA ))
2.800 1.000 1.000 peak 1408 weight 0.10000E+01 volume 0.18599E-02 ppm1 3.299 ppm2 4.097 CV 1
ASSI { 1409}
(( segid "PAH2" and resid 36 and name HB2 ))
(( segid "PAH2" and resid 36 and name HA ))
2.800 1.000 1.000 peak 1409 weight 0.10000E+01 volume 0.18841E-02 ppm1 3.299 ppm2 4.226 CV 1
ASSI { 1410}
(( segid "PAH2" and resid 36 and name HB2 ))
(( segid "PAH2" and resid 37 and name HN ))
3.800 1.800 1.800 peak 1410 weight 0.10000E+01 volume 0.32082E-03 ppm1 3.299 ppm2 8.574 CV 1
ASSI { 1412}
(( segid "PAH2" and resid 37 and name HA ))
(( segid "PAH2" and resid 37 and name HB ))
3.000 1.100 1.100 peak 1412 weight 0.10000E+01 volume 0.12574E-02 ppm1 3.863 ppm2 4.451 CV 1
ASSI { 1416}
(( segid "PAH2" and resid 37 and name HA ))
(( segid "PAH2" and resid 40 and name HB2 ))
2.500 0.800 0.800 peak 1416 weight 0.10000E+01 volume 0.35599E-02 ppm1 3.863 ppm2 1.940 CV 1
ASSI { 1417}
(( segid "PAH2" and resid 37 and name HA ))
(( segid "PAH2" and resid 40 and name HD2 ))
3.200 1.300 1.300 peak 1417 weight 0.10000E+01 volume 0.87098E-03 ppm1 3.863 ppm2 1.677 CV 1
OR { 1417}
(( segid "PAH2" and resid 37 and name HA ))
(( segid "PAH2" and resid 40 and name HD3 ))
ASSI { 1419}
(( segid "PAH2" and resid 37 and name HB ))
( segid "PAH2" and resid 37 and name HG2%)
2.200 0.600 0.600 peak 1419 weight 0.10000E+01 volume 0.87168E-02 ppm1 4.441 ppm2 1.277 CV 1
ASSI { 1426}
( segid "PAH2" and resid 37 and name HG2%)
(( segid "PAH2" and resid 37 and name HA ))
2.100 0.500 0.500 peak 1426 weight 0.10000E+01 volume 0.11402E-01 ppm1 1.277 ppm2 3.864 CV 1
ASSI { 1429}
( segid "PAH2" and resid 37 and name HG2%)
(( segid "PAH2" and resid 38 and name HN ))
2.700 0.900 0.900 peak 1429 weight 0.10000E+01 volume 0.23792E-02 ppm1 1.276 ppm2 8.200 CV 1
ASSI { 1430}
( segid "PAH2" and resid 37 and name HG2%)
(( segid "PAH2" and resid 37 and name HN ))
2.900 1.000 1.000 peak 1430 weight 0.10000E+01 volume 0.16560E-02 ppm1 1.275 ppm2 8.560 CV 1
ASSI { 1431}
(( segid "PAH2" and resid 38 and name HA ))
(( segid "PAH2" and resid 38 and name HB2 ))
2.200 0.600 0.600 peak 1431 weight 0.10000E+01 volume 0.76371E-02 ppm1 4.125 ppm2 3.164 CV 1
ASSI { 1432}
(( segid "PAH2" and resid 38 and name HA ))
( segid "PAH2" and resid 53 and name HE% )
2.500 0.800 0.800 peak 1432 weight 0.10000E+01 volume 0.38469E-02 ppm1 4.125 ppm2 2.040 CV 1
OR { 1432}
(( segid "PAH2" and resid 38 and name HA ))
(( segid "PAH2" and resid 53 and name HB2 ))
ASSI { 1435}
(( segid "PAH2" and resid 38 and name HA ))
(( segid "PAH2" and resid 38 and name HN ))
2.600 0.900 0.900 peak 1435 weight 0.10000E+01 volume 0.29206E-02 ppm1 4.126 ppm2 8.195 CV 1
ASSI { 1439}
(( segid "PAH2" and resid 38 and name HB2 ))
( segid "PAH2" and resid 38 and name HD% )
2.600 0.800 0.800 peak 1439 weight 0.10000E+01 volume 0.33098E-02 ppm1 3.131 ppm2 6.965 CV 1
ASSI { 1440}
(( segid "PAH2" and resid 38 and name HB2 ))
(( segid "PAH2" and resid 38 and name HN ))
2.600 0.800 0.800 peak 1440 weight 0.10000E+01 volume 0.34875E-02 ppm1 3.130 ppm2 8.184 CV 1
ASSI { 1442}
(( segid "PAH2" and resid 38 and name HB3 ))
( segid "PAH2" and resid 38 and name HD% )
3.100 1.200 1.200 peak 1442 weight 0.10000E+01 volume 0.10315E-02 ppm1 3.210 ppm2 6.959 CV 1
ASSI { 1443}
(( segid "PAH2" and resid 38 and name HB3 ))
(( segid "PAH2" and resid 38 and name HN ))
3.300 1.300 1.300 peak 1443 weight 0.10000E+01 volume 0.79141E-03 ppm1 3.210 ppm2 8.199 CV 1
ASSI { 1444}
(( segid "PAH2" and resid 39 and name HA ))
(( segid "PAH2" and resid 39 and name HG2 ))
2.400 0.700 0.700 peak 1444 weight 0.10000E+01 volume 0.48401E-02 ppm1 3.900 ppm2 2.389 CV 1
ASSI { 1445}
(( segid "PAH2" and resid 39 and name HA ))
(( segid "PAH2" and resid 39 and name HB2 ))
2.000 0.500 0.500 peak 1445 weight 0.10000E+01 volume 0.17122E-01 ppm1 3.900 ppm2 2.140 CV 1
OR { 1445}
(( segid "PAH2" and resid 39 and name HA ))
(( segid "PAH2" and resid 39 and name HB3 ))
ASSI { 1448}
(( segid "PAH2" and resid 39 and name HA ))
(( segid "PAH2" and resid 40 and name HN ))
3.000 1.100 1.100 peak 1448 weight 0.10000E+01 volume 0.13157E-02 ppm1 3.900 ppm2 8.176 CV 1
ASSI { 1450}
(( segid "PAH2" and resid 39 and name HB3 ))
( segid "MAD1" and resid 206 and name HD2%)
3.100 1.200 1.200 peak 1450 weight 0.10000E+01 volume 0.10287E-02 ppm1 2.114 ppm2 0.603 CV 1
ASSI { 1451}
(( segid "PAH2" and resid 39 and name HB2 ))
( segid "MAD1" and resid 206 and name HD2%)
2.900 1.100 1.100 peak 1451 weight 0.10000E+01 volume 0.15367E-02 ppm1 2.159 ppm2 0.603 CV 1
ASSI { 1452}
(( segid "PAH2" and resid 39 and name HB2 ))
(( segid "PAH2" and resid 39 and name HN ))
2.800 1.000 1.000 peak 1452 weight 0.10000E+01 volume 0.20175E-02 ppm1 2.159 ppm2 8.387 CV 1
ASSI { 1455}
(( segid "PAH2" and resid 39 and name HG2 ))
(( segid "PAH2" and resid 39 and name HN ))
2.800 1.000 1.000 peak 1455 weight 0.10000E+01 volume 0.21064E-02 ppm1 2.353 ppm2 8.388 CV 1
ASSI { 1456}
(( segid "PAH2" and resid 39 and name HG3 ))
(( segid "PAH2" and resid 39 and name HA ))
2.700 0.900 0.900 peak 1456 weight 0.10000E+01 volume 0.27010E-02 ppm1 2.387 ppm2 3.900 CV 1
ASSI { 1457}
(( segid "PAH2" and resid 39 and name HG3 ))
(( segid "PAH2" and resid 39 and name HN ))
3.100 1.200 1.200 peak 1457 weight 0.10000E+01 volume 0.10003E-02 ppm1 2.385 ppm2 8.388 CV 1
ASSI { 1458}
(( segid "PAH2" and resid 39 and name HG2 ))
(( segid "PAH2" and resid 39 and name HE22))
3.000 1.100 1.100 peak 1458 weight 0.10000E+01 volume 0.13860E-02 ppm1 2.356 ppm2 7.387 CV 1
ASSI { 1459}
(( segid "PAH2" and resid 39 and name HG3 ))
(( segid "PAH2" and resid 39 and name HE22))
3.000 1.100 1.100 peak 1459 weight 0.10000E+01 volume 0.13918E-02 ppm1 2.385 ppm2 7.387 CV 1
ASSI { 1460}
(( segid "PAH2" and resid 39 and name HG3 ))
( segid "MAD1" and resid 206 and name HD2%)
2.700 0.900 0.900 peak 1460 weight 0.10000E+01 volume 0.23756E-02 ppm1 2.387 ppm2 0.603 CV 1
ASSI { 1468}
(( segid "PAH2" and resid 42 and name HA ))
(( segid "PAH2" and resid 42 and name HB2 ))
2.100 0.500 0.500 peak 1468 weight 0.10000E+01 volume 0.12105E-01 ppm1 4.093 ppm2 2.086 CV 1
ASSI { 1469}
(( segid "PAH2" and resid 42 and name HA ))
(( segid "PAH2" and resid 42 and name HB3 ))
2.400 0.700 0.700 peak 1469 weight 0.10000E+01 volume 0.54760E-02 ppm1 4.093 ppm2 1.890 CV 1
ASSI { 1472}
(( segid "PAH2" and resid 42 and name HB3 ))
(( segid "PAH2" and resid 42 and name HB2 ))
1.900 0.400 0.400 peak 1472 weight 0.10000E+01 volume 0.21881E-01 ppm1 1.899 ppm2 2.079 CV 1
ASSI { 1479}
(( segid "PAH2" and resid 42 and name HG2 ))
(( segid "PAH2" and resid 42 and name HB3 ))
2.500 0.800 0.800 peak 1479 weight 0.10000E+01 volume 0.44245E-02 ppm1 2.186 ppm2 1.902 CV 1
OR { 1479}
(( segid "PAH2" and resid 42 and name HG3 ))
(( segid "PAH2" and resid 42 and name HB3 ))
ASSI { 1480}
(( segid "PAH2" and resid 42 and name HG2 ))
(( segid "PAH2" and resid 39 and name HA ))
3.300 1.400 1.400 peak 1480 weight 0.10000E+01 volume 0.68840E-03 ppm1 2.186 ppm2 3.889 CV 1
OR { 1480}
(( segid "PAH2" and resid 42 and name HG3 ))
(( segid "PAH2" and resid 39 and name HA ))
ASSI { 1481}
(( segid "PAH2" and resid 42 and name HG3 ))
(( segid "PAH2" and resid 42 and name HA ))
3.100 1.200 1.200 peak 1481 weight 0.10000E+01 volume 0.11068E-02 ppm1 2.186 ppm2 4.101 CV 1
OR { 1481}
(( segid "PAH2" and resid 42 and name HG2 ))
(( segid "PAH2" and resid 42 and name HA ))
ASSI { 1482}
(( segid "PAH2" and resid 42 and name HG3 ))
(( segid "PAH2" and resid 42 and name HE22))
3.300 1.400 1.400 peak 1482 weight 0.10000E+01 volume 0.71895E-03 ppm1 2.187 ppm2 6.767 CV 1
OR { 1482}
(( segid "PAH2" and resid 42 and name HG2 ))
(( segid "PAH2" and resid 42 and name HE22))
ASSI { 1483}
(( segid "PAH2" and resid 42 and name HG3 ))
(( segid "PAH2" and resid 42 and name HE21))
2.800 1.000 1.000 peak 1483 weight 0.10000E+01 volume 0.18663E-02 ppm1 2.187 ppm2 7.007 CV 1
OR { 1483}
(( segid "PAH2" and resid 42 and name HG2 ))
(( segid "PAH2" and resid 42 and name HE21))
ASSI { 1484}
(( segid "PAH2" and resid 42 and name HG3 ))
(( segid "PAH2" and resid 42 and name HN ))
2.900 1.100 1.100 peak 1484 weight 0.10000E+01 volume 0.15637E-02 ppm1 2.186 ppm2 7.687 CV 1
OR { 1484}
(( segid "PAH2" and resid 42 and name HG2 ))
(( segid "PAH2" and resid 42 and name HN ))
ASSI { 1486}
(( segid "PAH2" and resid 43 and name HA ))
(( segid "PAH2" and resid 43 and name HB2 ))
2.100 0.500 0.500 peak 1486 weight 0.10000E+01 volume 0.11850E-01 ppm1 4.260 ppm2 1.640 CV 1
OR { 1486}
(( segid "PAH2" and resid 43 and name HA ))
(( segid "PAH2" and resid 43 and name HG ))
ASSI { 1487}
(( segid "PAH2" and resid 43 and name HA ))
(( segid "PAH2" and resid 43 and name HB3 ))
2.200 0.600 0.600 peak 1487 weight 0.10000E+01 volume 0.84611E-02 ppm1 4.260 ppm2 1.486 CV 1
ASSI { 1488}
(( segid "PAH2" and resid 43 and name HA ))
( segid "PAH2" and resid 43 and name HD2%)
2.100 0.500 0.500 peak 1488 weight 0.10000E+01 volume 0.11353E-01 ppm1 4.260 ppm2 0.846 CV 1
ASSI { 1491}
(( segid "PAH2" and resid 43 and name HB3 ))
( segid "PAH2" and resid 43 and name HD1%)
2.100 0.500 0.500 peak 1491 weight 0.10000E+01 volume 0.12838E-01 ppm1 1.486 ppm2 0.846 CV 1
ASSI { 1492}
(( segid "PAH2" and resid 43 and name HB3 ))
(( segid "PAH2" and resid 43 and name HB2 ))
1.700 0.300 0.500 peak 1492 weight 0.10000E+01 volume 0.44494E-01 ppm1 1.486 ppm2 1.652 CV 1
ASSI { 1494}
(( segid "PAH2" and resid 43 and name HB3 ))
(( segid "PAH2" and resid 43 and name HN ))
2.700 0.900 0.900 peak 1494 weight 0.10000E+01 volume 0.25163E-02 ppm1 1.486 ppm2 7.562 CV 1
ASSI { 1496}
(( segid "PAH2" and resid 43 and name HB2 ))
( segid "PAH2" and resid 43 and name HD1%)
2.300 0.700 0.700 peak 1496 weight 0.10000E+01 volume 0.60144E-02 ppm1 1.674 ppm2 0.873 CV 1
OR { 1496}
(( segid "PAH2" and resid 43 and name HB2 ))
( segid "PAH2" and resid 43 and name HD2%)
ASSI { 1497}
(( segid "PAH2" and resid 43 and name HB2 ))
(( segid "PAH2" and resid 43 and name HA ))
2.600 0.900 0.900 peak 1497 weight 0.10000E+01 volume 0.28630E-02 ppm1 1.674 ppm2 4.260 CV 1
ASSI { 1498}
(( segid "PAH2" and resid 43 and name HB2 ))
(( segid "PAH2" and resid 43 and name HN ))
2.600 0.800 0.800 peak 1498 weight 0.10000E+01 volume 0.32892E-02 ppm1 1.674 ppm2 7.562 CV 1
ASSI { 1499}
(( segid "PAH2" and resid 43 and name HG ))
(( segid "PAH2" and resid 43 and name HA ))
2.700 0.900 0.900 peak 1499 weight 0.10000E+01 volume 0.25405E-02 ppm1 1.625 ppm2 4.260 CV 1
ASSI { 1501}
(( segid "PAH2" and resid 43 and name HG ))
( segid "PAH2" and resid 43 and name HD2%)
2.000 0.500 0.500 peak 1501 weight 0.10000E+01 volume 0.15991E-01 ppm1 1.626 ppm2 0.846 CV 1
OR { 1501}
(( segid "PAH2" and resid 43 and name HG ))
( segid "PAH2" and resid 43 and name HD1%)
ASSI { 1502}
( segid "PAH2" and resid 43 and name HD2%)
(( segid "PAH2" and resid 43 and name HB3 ))
2.300 0.700 0.700 peak 1502 weight 0.10000E+01 volume 0.58247E-02 ppm1 0.836 ppm2 1.486 CV 1
ASSI { 1503}
( segid "PAH2" and resid 43 and name HD2%)
(( segid "PAH2" and resid 43 and name HG ))
2.000 0.500 0.500 peak 1503 weight 0.10000E+01 volume 0.13711E-01 ppm1 0.836 ppm2 1.652 CV 1
OR { 1503}
( segid "PAH2" and resid 43 and name HD2%)
(( segid "PAH2" and resid 43 and name HB2 ))
ASSI { 1505}
( segid "PAH2" and resid 43 and name HD2%)
(( segid "PAH2" and resid 39 and name HE21))
3.300 1.400 1.400 peak 1505 weight 0.10000E+01 volume 0.71326E-03 ppm1 0.836 ppm2 6.862 CV 1
ASSI { 1506}
( segid "PAH2" and resid 43 and name HD2%)
(( segid "PAH2" and resid 39 and name HE22))
3.400 1.500 1.500 peak 1506 weight 0.10000E+01 volume 0.59008E-03 ppm1 0.836 ppm2 7.400 CV 1
ASSI { 1507}
( segid "PAH2" and resid 43 and name HD2%)
(( segid "PAH2" and resid 43 and name HN ))
3.000 1.100 1.100 peak 1507 weight 0.10000E+01 volume 0.12915E-02 ppm1 0.836 ppm2 7.562 CV 1
ASSI { 1511}
( segid "PAH2" and resid 43 and name HD1%)
(( segid "PAH2" and resid 43 and name HA ))
3.100 1.200 1.200 peak 1511 weight 0.10000E+01 volume 0.10706E-02 ppm1 0.900 ppm2 4.260 CV 1
ASSI { 1513}
( segid "PAH2" and resid 43 and name HD1%)
(( segid "PAH2" and resid 43 and name HN ))
3.100 1.200 1.200 peak 1513 weight 0.10000E+01 volume 0.10699E-02 ppm1 0.900 ppm2 7.562 CV 1
ASSI { 1514}
(( segid "PAH2" and resid 44 and name HA ))
(( segid "PAH2" and resid 44 and name HB3 ))
2.100 0.600 0.600 peak 1514 weight 0.10000E+01 volume 0.10884E-01 ppm1 4.687 ppm2 3.152 CV 1
OR { 1514}
(( segid "PAH2" and resid 44 and name HA ))
(( segid "PAH2" and resid 44 and name HB2 ))
ASSI { 1516}
(( segid "PAH2" and resid 44 and name HA ))
(( segid "PAH2" and resid 44 and name HN ))
2.500 0.800 0.800 peak 1516 weight 0.10000E+01 volume 0.37361E-02 ppm1 4.685 ppm2 8.249 CV 1
ASSI { 1517}
(( segid "PAH2" and resid 44 and name HB2 ))
(( segid "PAH2" and resid 44 and name HA ))
2.500 0.800 0.800 peak 1517 weight 0.10000E+01 volume 0.40842E-02 ppm1 3.089 ppm2 4.701 CV 1
ASSI { 1519}
(( segid "PAH2" and resid 44 and name HB2 ))
(( segid "PAH2" and resid 44 and name HN ))
3.800 1.800 1.800 peak 1519 weight 0.10000E+01 volume 0.31507E-03 ppm1 3.091 ppm2 8.253 CV 1
ASSI { 1522}
(( segid "PAH2" and resid 44 and name HB3 ))
(( segid "PAH2" and resid 44 and name HA ))
2.400 0.700 0.700 peak 1522 weight 0.10000E+01 volume 0.48003E-02 ppm1 3.176 ppm2 4.701 CV 1
ASSI { 1524}
(( segid "PAH2" and resid 44 and name HB3 ))
(( segid "PAH2" and resid 44 and name HD2 ))
3.600 1.600 1.600 peak 1524 weight 0.10000E+01 volume 0.47108E-03 ppm1 3.176 ppm2 7.069 CV 1
ASSI { 1525}
(( segid "PAH2" and resid 44 and name HB2 ))
(( segid "PAH2" and resid 44 and name HD2 ))
4.300 2.300 1.700 peak 1525 weight 0.10000E+01 volume 0.15409E-03 ppm1 3.095 ppm2 7.075 CV 1
ASSI { 1526}
(( segid "PAH2" and resid 44 and name HB3 ))
(( segid "PAH2" and resid 44 and name HN ))
3.600 1.600 1.600 peak 1526 weight 0.10000E+01 volume 0.42994E-03 ppm1 3.174 ppm2 8.242 CV 1
ASSI { 1527}
(( segid "PAH2" and resid 45 and name HA ))
( segid "PAH2" and resid 45 and name HG2%)
2.200 0.600 0.600 peak 1527 weight 0.10000E+01 volume 0.80206E-02 ppm1 4.294 ppm2 1.190 CV 1
ASSI { 1528}
(( segid "PAH2" and resid 45 and name HA ))
(( segid "PAH2" and resid 46 and name HD2 ))
3.700 1.700 1.700 peak 1528 weight 0.10000E+01 volume 0.40060E-03 ppm1 4.294 ppm2 1.665 CV 1
OR { 1528}
(( segid "PAH2" and resid 45 and name HA ))
(( segid "PAH2" and resid 46 and name HD3 ))
ASSI { 1529}
(( segid "PAH2" and resid 45 and name HA ))
(( segid "PAH2" and resid 46 and name HB2 ))
3.800 1.800 1.800 peak 1529 weight 0.10000E+01 volume 0.34526E-03 ppm1 4.294 ppm2 1.840 CV 1
OR { 1529}
(( segid "PAH2" and resid 45 and name HA ))
(( segid "PAH2" and resid 46 and name HB3 ))
ASSI { 1530}
(( segid "PAH2" and resid 45 and name HA ))
(( segid "PAH2" and resid 44 and name HB2 ))
4.100 2.100 1.900 peak 1530 weight 0.10000E+01 volume 0.21306E-03 ppm1 4.294 ppm2 3.135 CV 1
OR { 1530}
(( segid "PAH2" and resid 45 and name HA ))
(( segid "PAH2" and resid 44 and name HB3 ))
ASSI { 1532}
(( segid "PAH2" and resid 45 and name HA ))
(( segid "PAH2" and resid 44 and name HN ))
3.200 1.300 1.300 peak 1532 weight 0.10000E+01 volume 0.94983E-03 ppm1 4.294 ppm2 8.247 CV 1
ASSI { 1533}
(( segid "PAH2" and resid 45 and name HA ))
(( segid "PAH2" and resid 46 and name HN ))
2.400 0.700 0.700 peak 1533 weight 0.10000E+01 volume 0.46277E-02 ppm1 4.294 ppm2 8.412 CV 1
ASSI { 1534}
(( segid "PAH2" and resid 45 and name HB ))
(( segid "PAH2" and resid 45 and name HA ))
2.100 0.600 0.600 peak 1534 weight 0.10000E+01 volume 0.10195E-01 ppm1 4.159 ppm2 4.314 CV 1
ASSI { 1537}
(( segid "PAH2" and resid 45 and name HB ))
(( segid "PAH2" and resid 46 and name HB2 ))
3.900 1.900 1.900 peak 1537 weight 0.10000E+01 volume 0.26328E-03 ppm1 4.159 ppm2 1.840 CV 1
OR { 1537}
(( segid "PAH2" and resid 45 and name HB ))
(( segid "PAH2" and resid 46 and name HB3 ))
ASSI { 1538}
(( segid "PAH2" and resid 45 and name HB ))
(( segid "PAH2" and resid 46 and name HD2 ))
3.500 1.500 1.500 peak 1538 weight 0.10000E+01 volume 0.56564E-03 ppm1 4.159 ppm2 1.690 CV 1
OR { 1538}
(( segid "PAH2" and resid 45 and name HB ))
(( segid "PAH2" and resid 46 and name HD3 ))
ASSI { 1539}
(( segid "PAH2" and resid 45 and name HB ))
( segid "PAH2" and resid 45 and name HG2%)
2.100 0.600 0.600 peak 1539 weight 0.10000E+01 volume 0.10379E-01 ppm1 4.159 ppm2 1.190 CV 1
ASSI { 1543}
(( segid "PAH2" and resid 46 and name HA ))
(( segid "PAH2" and resid 46 and name HG3 ))
2.400 0.700 0.700 peak 1543 weight 0.10000E+01 volume 0.47122E-02 ppm1 4.191 ppm2 1.452 CV 1
OR { 1543}
(( segid "PAH2" and resid 46 and name HA ))
(( segid "PAH2" and resid 46 and name HG2 ))
ASSI { 1544}
(( segid "PAH2" and resid 46 and name HA ))
(( segid "PAH2" and resid 46 and name HB3 ))
2.000 0.500 0.500 peak 1544 weight 0.10000E+01 volume 0.17220E-01 ppm1 4.191 ppm2 1.838 CV 1
OR { 1544}
(( segid "PAH2" and resid 46 and name HA ))
(( segid "PAH2" and resid 46 and name HB2 ))
ASSI { 1546}
(( segid "PAH2" and resid 46 and name HA ))
(( segid "PAH2" and resid 47 and name HN ))
3.000 1.100 1.100 peak 1546 weight 0.10000E+01 volume 0.14478E-02 ppm1 4.191 ppm2 8.695 CV 1
ASSI { 1547}
(( segid "PAH2" and resid 46 and name HB2 ))
(( segid "PAH2" and resid 46 and name HG2 ))
2.000 0.500 0.500 peak 1547 weight 0.10000E+01 volume 0.13228E-01 ppm1 1.826 ppm2 1.452 CV 1
OR { 1547}
(( segid "PAH2" and resid 46 and name HB3 ))
(( segid "PAH2" and resid 46 and name HG3 ))
OR { 1547}
(( segid "PAH2" and resid 46 and name HB2 ))
(( segid "PAH2" and resid 46 and name HG3 ))
ASSI { 1550}
(( segid "PAH2" and resid 46 and name HG3 ))
(( segid "PAH2" and resid 46 and name HE2 ))
2.300 0.700 0.700 peak 1550 weight 0.10000E+01 volume 0.61145E-02 ppm1 1.396 ppm2 2.958 CV 1
OR { 1550}
(( segid "PAH2" and resid 46 and name HG3 ))
(( segid "PAH2" and resid 46 and name HE3 ))
OR { 1550}
(( segid "PAH2" and resid 46 and name HG2 ))
(( segid "PAH2" and resid 46 and name HE2 ))
ASSI { 1552}
(( segid "PAH2" and resid 46 and name HD3 ))
(( segid "PAH2" and resid 46 and name HG2 ))
1.700 0.300 0.500 peak 1552 weight 0.10000E+01 volume 0.45730E-01 ppm1 1.670 ppm2 1.415 CV 1
OR { 1552}
(( segid "PAH2" and resid 46 and name HD2 ))
(( segid "PAH2" and resid 46 and name HG3 ))
OR { 1552}
(( segid "PAH2" and resid 46 and name HD2 ))
(( segid "PAH2" and resid 46 and name HG2 ))
ASSI { 1553}
(( segid "PAH2" and resid 46 and name HD2 ))
(( segid "PAH2" and resid 46 and name HN ))
3.100 1.200 1.200 peak 1553 weight 0.10000E+01 volume 0.11366E-02 ppm1 1.670 ppm2 8.409 CV 1
OR { 1553}
(( segid "PAH2" and resid 46 and name HD3 ))
(( segid "PAH2" and resid 46 and name HN ))
ASSI { 1554}
(( segid "PAH2" and resid 46 and name HD3 ))
(( segid "PAH2" and resid 46 and name HE2 ))
1.900 0.500 0.500 peak 1554 weight 0.10000E+01 volume 0.17497E-01 ppm1 1.670 ppm2 2.958 CV 1
OR { 1554}
(( segid "PAH2" and resid 46 and name HD2 ))
(( segid "PAH2" and resid 46 and name HE3 ))
OR { 1554}
(( segid "PAH2" and resid 46 and name HD2 ))
(( segid "PAH2" and resid 46 and name HE2 ))
ASSI { 1555}
(( segid "PAH2" and resid 46 and name HD2 ))
(( segid "PAH2" and resid 46 and name HA ))
2.400 0.700 0.700 peak 1555 weight 0.10000E+01 volume 0.47229E-02 ppm1 1.670 ppm2 4.215 CV 1
ASSI { 1561}
(( segid "PAH2" and resid 47 and name HA1 ))
(( segid "PAH2" and resid 47 and name HA2 ))
1.800 0.400 0.400 peak 1561 weight 0.10000E+01 volume 0.28665E-01 ppm1 4.077 ppm2 3.817 CV 1
ASSI { 1566}
(( segid "PAH2" and resid 48 and name HA ))
(( segid "PAH2" and resid 49 and name HD3 ))
2.100 0.500 0.500 peak 1566 weight 0.10000E+01 volume 0.11551E-01 ppm1 4.700 ppm2 3.767 CV 1
ASSI { 1568}
(( segid "PAH2" and resid 48 and name HA ))
(( segid "PAH2" and resid 48 and name HD3 ))
3.100 1.200 1.200 peak 1568 weight 0.10000E+01 volume 0.10301E-02 ppm1 4.700 ppm2 3.170 CV 1
OR { 1568}
(( segid "PAH2" and resid 48 and name HA ))
(( segid "PAH2" and resid 48 and name HD2 ))
ASSI { 1569}
(( segid "PAH2" and resid 48 and name HA ))
(( segid "PAH2" and resid 49 and name HG2 ))
2.900 1.000 1.000 peak 1569 weight 0.10000E+01 volume 0.17725E-02 ppm1 4.700 ppm2 1.962 CV 1
OR { 1569}
(( segid "PAH2" and resid 48 and name HA ))
(( segid "PAH2" and resid 49 and name HG3 ))
ASSI { 1570}
(( segid "PAH2" and resid 48 and name HA ))
(( segid "PAH2" and resid 48 and name HB3 ))
2.300 0.700 0.700 peak 1570 weight 0.10000E+01 volume 0.65288E-02 ppm1 4.700 ppm2 1.813 CV 1
ASSI { 1571}
(( segid "PAH2" and resid 48 and name HA ))
(( segid "PAH2" and resid 48 and name HG2 ))
2.200 0.600 0.600 peak 1571 weight 0.10000E+01 volume 0.84043E-02 ppm1 4.700 ppm2 1.626 CV 1
ASSI { 1573}
(( segid "PAH2" and resid 48 and name HB2 ))
(( segid "PAH2" and resid 48 and name HD2 ))
2.500 0.800 0.800 peak 1573 weight 0.10000E+01 volume 0.42163E-02 ppm1 1.698 ppm2 3.157 CV 1
OR { 1573}
(( segid "PAH2" and resid 48 and name HB2 ))
(( segid "PAH2" and resid 48 and name HD3 ))
ASSI { 1574}
(( segid "PAH2" and resid 48 and name HB2 ))
(( segid "PAH2" and resid 49 and name HD2 ))
3.400 1.400 1.400 peak 1574 weight 0.10000E+01 volume 0.65565E-03 ppm1 1.698 ppm2 3.605 CV 1
ASSI { 1575}
(( segid "PAH2" and resid 48 and name HB2 ))
(( segid "PAH2" and resid 48 and name HA ))
2.700 0.900 0.900 peak 1575 weight 0.10000E+01 volume 0.26349E-02 ppm1 1.698 ppm2 4.700 CV 1
ASSI { 1577}
(( segid "PAH2" and resid 48 and name HB3 ))
(( segid "PAH2" and resid 48 and name HD3 ))
2.300 0.700 0.700 peak 1577 weight 0.10000E+01 volume 0.64705E-02 ppm1 1.821 ppm2 3.145 CV 1
OR { 1577}
(( segid "PAH2" and resid 48 and name HB3 ))
(( segid "PAH2" and resid 48 and name HD2 ))
ASSI { 1581}
(( segid "PAH2" and resid 48 and name HB3 ))
(( segid "PAH2" and resid 48 and name HN ))
2.700 0.900 0.900 peak 1581 weight 0.10000E+01 volume 0.22599E-02 ppm1 1.821 ppm2 7.911 CV 1
ASSI { 1583}
(( segid "PAH2" and resid 48 and name HG3 ))
(( segid "PAH2" and resid 48 and name HD2 ))
2.000 0.500 0.500 peak 1583 weight 0.10000E+01 volume 0.14372E-01 ppm1 1.563 ppm2 3.145 CV 1
OR { 1583}
(( segid "PAH2" and resid 48 and name HG3 ))
(( segid "PAH2" and resid 48 and name HD3 ))
ASSI { 1584}
(( segid "PAH2" and resid 48 and name HG3 ))
(( segid "PAH2" and resid 48 and name HA ))
2.800 1.000 1.000 peak 1584 weight 0.10000E+01 volume 0.21170E-02 ppm1 1.563 ppm2 4.700 CV 1
ASSI { 1586}
(( segid "PAH2" and resid 48 and name HG2 ))
(( segid "PAH2" and resid 48 and name HB3 ))
2.100 0.600 0.600 peak 1586 weight 0.10000E+01 volume 0.11232E-01 ppm1 1.607 ppm2 1.813 CV 1
ASSI { 1587}
(( segid "PAH2" and resid 48 and name HG2 ))
(( segid "PAH2" and resid 48 and name HD3 ))
2.300 0.600 0.600 peak 1587 weight 0.10000E+01 volume 0.68619E-02 ppm1 1.607 ppm2 3.145 CV 1
OR { 1587}
(( segid "PAH2" and resid 48 and name HG2 ))
(( segid "PAH2" and resid 48 and name HD2 ))
ASSI { 1589}
(( segid "PAH2" and resid 48 and name HG2 ))
(( segid "PAH2" and resid 48 and name HN ))
3.100 1.200 1.200 peak 1589 weight 0.10000E+01 volume 0.10464E-02 ppm1 1.607 ppm2 7.899 CV 1
ASSI { 1590}
(( segid "PAH2" and resid 48 and name HD2 ))
(( segid "PAH2" and resid 48 and name HG3 ))
1.900 0.500 0.500 peak 1590 weight 0.10000E+01 volume 0.18620E-01 ppm1 3.151 ppm2 1.589 CV 1
OR { 1590}
(( segid "PAH2" and resid 48 and name HD3 ))
(( segid "PAH2" and resid 48 and name HG2 ))
OR { 1590}
(( segid "PAH2" and resid 48 and name HD3 ))
(( segid "PAH2" and resid 48 and name HG3 ))
ASSI { 1593}
(( segid "PAH2" and resid 49 and name HA ))
(( segid "PAH2" and resid 49 and name HB2 ))
2.300 0.600 0.600 peak 1593 weight 0.10000E+01 volume 0.68825E-02 ppm1 4.416 ppm2 1.799 CV 1
ASSI { 1595}
(( segid "PAH2" and resid 49 and name HA ))
(( segid "PAH2" and resid 49 and name HB3 ))
2.100 0.600 0.600 peak 1595 weight 0.10000E+01 volume 0.98962E-02 ppm1 4.415 ppm2 2.199 CV 1
ASSI { 1597}
(( segid "PAH2" and resid 49 and name HB2 ))
(( segid "PAH2" and resid 49 and name HG2 ))
1.900 0.400 0.400 peak 1597 weight 0.10000E+01 volume 0.22947E-01 ppm1 1.796 ppm2 1.962 CV 1
OR { 1597}
(( segid "PAH2" and resid 49 and name HB2 ))
(( segid "PAH2" and resid 49 and name HG3 ))
ASSI { 1598}
(( segid "PAH2" and resid 49 and name HB2 ))
(( segid "PAH2" and resid 49 and name HB3 ))
1.900 0.400 0.400 peak 1598 weight 0.10000E+01 volume 0.22506E-01 ppm1 1.796 ppm2 2.199 CV 1
ASSI { 1599}
(( segid "PAH2" and resid 49 and name HB2 ))
(( segid "PAH2" and resid 49 and name HD2 ))
3.000 1.100 1.100 peak 1599 weight 0.10000E+01 volume 0.12624E-02 ppm1 1.796 ppm2 3.605 CV 1
ASSI { 1600}
(( segid "PAH2" and resid 49 and name HB2 ))
(( segid "PAH2" and resid 49 and name HD3 ))
3.100 1.200 1.200 peak 1600 weight 0.10000E+01 volume 0.11815E-02 ppm1 1.796 ppm2 3.767 CV 1
ASSI { 1602}
(( segid "PAH2" and resid 49 and name HB3 ))
(( segid "PAH2" and resid 49 and name HG3 ))
1.900 0.500 0.500 peak 1602 weight 0.10000E+01 volume 0.19621E-01 ppm1 2.182 ppm2 1.975 CV 1
ASSI { 1614}
(( segid "PAH2" and resid 49 and name HG2 ))
(( segid "PAH2" and resid 49 and name HA ))
2.700 0.900 0.900 peak 1614 weight 0.10000E+01 volume 0.22876E-02 ppm1 1.964 ppm2 4.439 CV 1
OR { 1614}
(( segid "PAH2" and resid 49 and name HG3 ))
(( segid "PAH2" and resid 49 and name HA ))
ASSI { 1623}
(( segid "PAH2" and resid 49 and name HD2 ))
(( segid "PAH2" and resid 49 and name HG2 ))
2.000 0.500 0.500 peak 1623 weight 0.10000E+01 volume 0.13313E-01 ppm1 3.596 ppm2 1.975 CV 1
OR { 1623}
(( segid "PAH2" and resid 49 and name HD2 ))
(( segid "PAH2" and resid 49 and name HG3 ))
ASSI { 1624}
(( segid "PAH2" and resid 49 and name HD2 ))
(( segid "PAH2" and resid 48 and name HB3 ))
2.200 0.600 0.600 peak 1624 weight 0.10000E+01 volume 0.91218E-02 ppm1 3.596 ppm2 1.788 CV 1
ASSI { 1625}
(( segid "PAH2" and resid 49 and name HD2 ))
(( segid "PAH2" and resid 48 and name HG2 ))
2.600 0.800 0.800 peak 1625 weight 0.10000E+01 volume 0.31699E-02 ppm1 3.596 ppm2 1.639 CV 1
OR { 1625}
(( segid "PAH2" and resid 49 and name HD2 ))
(( segid "PAH2" and resid 48 and name HB2 ))
ASSI { 1627}
(( segid "PAH2" and resid 49 and name HD2 ))
(( segid "PAH2" and resid 48 and name HA ))
2.100 0.500 0.500 peak 1627 weight 0.10000E+01 volume 0.12901E-01 ppm1 3.596 ppm2 4.700 CV 1
ASSI { 1629}
(( segid "PAH2" and resid 49 and name HD3 ))
(( segid "PAH2" and resid 49 and name HD2 ))
1.600 0.300 0.600 peak 1629 weight 0.10000E+01 volume 0.57508E-01 ppm1 3.765 ppm2 3.593 CV 1
ASSI { 1630}
(( segid "PAH2" and resid 49 and name HD3 ))
(( segid "PAH2" and resid 49 and name HB3 ))
2.300 0.700 0.700 peak 1630 weight 0.10000E+01 volume 0.65565E-02 ppm1 3.765 ppm2 2.186 CV 1
ASSI { 1631}
(( segid "PAH2" and resid 49 and name HD3 ))
(( segid "PAH2" and resid 49 and name HG3 ))
2.000 0.500 0.500 peak 1631 weight 0.10000E+01 volume 0.16411E-01 ppm1 3.765 ppm2 1.975 CV 1
ASSI { 1634}
(( segid "PAH2" and resid 50 and name HA ))
(( segid "PAH2" and resid 50 and name HB2 ))
2.000 0.500 0.500 peak 1634 weight 0.10000E+01 volume 0.13675E-01 ppm1 4.613 ppm2 3.045 CV 1
OR { 1634}
(( segid "PAH2" and resid 50 and name HA ))
(( segid "PAH2" and resid 50 and name HB3 ))
ASSI { 1635}
(( segid "PAH2" and resid 50 and name HA ))
( segid "PAH2" and resid 50 and name HD% )
2.300 0.700 0.700 peak 1635 weight 0.10000E+01 volume 0.60343E-02 ppm1 4.613 ppm2 7.164 CV 1
ASSI { 1637}
(( segid "PAH2" and resid 50 and name HA ))
(( segid "PAH2" and resid 51 and name HN ))
2.100 0.500 0.500 peak 1637 weight 0.10000E+01 volume 0.11310E-01 ppm1 4.613 ppm2 8.347 CV 1
ASSI { 1639}
(( segid "PAH2" and resid 50 and name HB3 ))
( segid "PAH2" and resid 50 and name HD% )
2.100 0.500 0.500 peak 1639 weight 0.10000E+01 volume 0.11679E-01 ppm1 3.033 ppm2 7.163 CV 1
OR { 1639}
(( segid "PAH2" and resid 50 and name HB2 ))
( segid "PAH2" and resid 50 and name HD% )
ASSI { 1642}
(( segid "PAH2" and resid 51 and name HA ))
(( segid "PAH2" and resid 51 and name HD3 ))
3.200 1.300 1.300 peak 1642 weight 0.10000E+01 volume 0.88661E-03 ppm1 4.304 ppm2 3.162 CV 1
OR { 1642}
(( segid "PAH2" and resid 51 and name HA ))
(( segid "PAH2" and resid 51 and name HD2 ))
ASSI { 1643}
(( segid "PAH2" and resid 51 and name HA ))
(( segid "PAH2" and resid 51 and name HB2 ))
2.100 0.500 0.500 peak 1643 weight 0.10000E+01 volume 0.11359E-01 ppm1 4.306 ppm2 1.799 CV 1
ASSI { 1646}
(( segid "PAH2" and resid 51 and name HA ))
(( segid "PAH2" and resid 51 and name HN ))
2.500 0.800 0.800 peak 1646 weight 0.10000E+01 volume 0.37105E-02 ppm1 4.306 ppm2 8.357 CV 1
ASSI { 1647}
(( segid "PAH2" and resid 51 and name HB3 ))
(( segid "PAH2" and resid 51 and name HD3 ))
2.600 0.900 0.900 peak 1647 weight 0.10000E+01 volume 0.30441E-02 ppm1 1.675 ppm2 3.155 CV 1
OR { 1647}
(( segid "PAH2" and resid 51 and name HB3 ))
(( segid "PAH2" and resid 51 and name HD2 ))
ASSI { 1648}
(( segid "PAH2" and resid 51 and name HB3 ))
(( segid "PAH2" and resid 51 and name HA ))
2.600 0.800 0.800 peak 1648 weight 0.10000E+01 volume 0.33277E-02 ppm1 1.676 ppm2 4.300 CV 1
ASSI { 1652}
(( segid "PAH2" and resid 51 and name HB2 ))
(( segid "PAH2" and resid 51 and name HB3 ))
1.700 0.300 0.500 peak 1652 weight 0.10000E+01 volume 0.45389E-01 ppm1 1.809 ppm2 1.675 CV 1
ASSI { 1662}
(( segid "PAH2" and resid 51 and name HD2 ))
(( segid "PAH2" and resid 51 and name HG3 ))
1.800 0.400 0.400 peak 1662 weight 0.10000E+01 volume 0.27649E-01 ppm1 3.152 ppm2 1.564 CV 1
OR { 1662}
(( segid "PAH2" and resid 51 and name HD3 ))
(( segid "PAH2" and resid 51 and name HG2 ))
OR { 1662}
(( segid "PAH2" and resid 51 and name HD2 ))
(( segid "PAH2" and resid 51 and name HG2 ))
ASSI { 1663}
(( segid "PAH2" and resid 51 and name HD2 ))
(( segid "PAH2" and resid 51 and name HB2 ))
2.000 0.500 0.500 peak 1663 weight 0.10000E+01 volume 0.14016E-01 ppm1 3.152 ppm2 1.799 CV 1
OR { 1663}
(( segid "PAH2" and resid 51 and name HD3 ))
(( segid "PAH2" and resid 51 and name HB2 ))
ASSI { 1665}
(( segid "PAH2" and resid 53 and name HA ))
(( segid "PAH2" and resid 53 and name HG3 ))
2.200 0.600 0.600 peak 1665 weight 0.10000E+01 volume 0.85677E-02 ppm1 4.512 ppm2 2.692 CV 1
OR { 1665}
(( segid "PAH2" and resid 53 and name HA ))
(( segid "PAH2" and resid 53 and name HG2 ))
ASSI { 1667}
(( segid "PAH2" and resid 53 and name HA ))
(( segid "PAH2" and resid 53 and name HB2 ))
2.100 0.600 0.600 peak 1667 weight 0.10000E+01 volume 0.99104E-02 ppm1 4.512 ppm2 2.047 CV 1
ASSI { 1668}
(( segid "PAH2" and resid 53 and name HA ))
(( segid "PAH2" and resid 53 and name HB3 ))
2.300 0.700 0.700 peak 1668 weight 0.10000E+01 volume 0.62709E-02 ppm1 4.512 ppm2 1.936 CV 1
ASSI { 1670}
(( segid "PAH2" and resid 53 and name HA ))
(( segid "PAH2" and resid 54 and name HN ))
2.000 0.500 0.500 peak 1670 weight 0.10000E+01 volume 0.13277E-01 ppm1 4.512 ppm2 8.976 CV 1
ASSI { 1671}
(( segid "PAH2" and resid 53 and name HB3 ))
(( segid "PAH2" and resid 53 and name HG2 ))
2.800 1.000 1.000 peak 1671 weight 0.10000E+01 volume 0.19139E-02 ppm1 1.922 ppm2 2.704 CV 1
OR { 1671}
(( segid "PAH2" and resid 53 and name HB3 ))
(( segid "PAH2" and resid 53 and name HG3 ))
ASSI { 1674}
(( segid "PAH2" and resid 53 and name HB2 ))
(( segid "PAH2" and resid 53 and name HG3 ))
2.700 0.900 0.900 peak 1674 weight 0.10000E+01 volume 0.23415E-02 ppm1 2.033 ppm2 2.704 CV 1
OR { 1674}
(( segid "PAH2" and resid 53 and name HB2 ))
(( segid "PAH2" and resid 53 and name HG2 ))
ASSI { 1680}
(( segid "PAH2" and resid 53 and name HG3 ))
(( segid "PAH2" and resid 53 and name HA ))
2.600 0.800 0.800 peak 1680 weight 0.10000E+01 volume 0.32502E-02 ppm1 2.652 ppm2 4.514 CV 1
ASSI { 1682}
(( segid "PAH2" and resid 53 and name HG3 ))
(( segid "PAH2" and resid 54 and name HN ))
3.600 1.600 1.600 peak 1682 weight 0.10000E+01 volume 0.45054E-03 ppm1 2.652 ppm2 8.976 CV 1
ASSI { 1687}
(( segid "PAH2" and resid 53 and name HG2 ))
(( segid "PAH2" and resid 53 and name HA ))
2.800 1.000 1.000 peak 1687 weight 0.10000E+01 volume 0.18215E-02 ppm1 2.733 ppm2 4.514 CV 1
ASSI { 1688}
(( segid "PAH2" and resid 53 and name HG2 ))
( segid "PAH2" and resid 38 and name HD% )
4.100 2.100 1.900 peak 1688 weight 0.10000E+01 volume 0.18961E-03 ppm1 2.733 ppm2 6.968 CV 1
ASSI { 1689}
(( segid "PAH2" and resid 53 and name HG2 ))
(( segid "PAH2" and resid 54 and name HN ))
4.200 2.200 1.800 peak 1689 weight 0.10000E+01 volume 0.17697E-03 ppm1 2.733 ppm2 8.989 CV 1
ASSI { 1690}
( segid "PAH2" and resid 53 and name HE% )
( segid "PAH2" and resid 58 and name HG2%)
1.900 0.500 0.500 peak 1690 weight 0.10000E+01 volume 0.19558E-01 ppm1 2.069 ppm2 0.783 CV 1
ASSI { 1692}
( segid "PAH2" and resid 53 and name HE% )
( segid "PAH2" and resid 37 and name HG2%)
2.200 0.600 0.600 peak 1692 weight 0.10000E+01 volume 0.82409E-02 ppm1 2.069 ppm2 1.279 CV 1
ASSI { 1693}
( segid "PAH2" and resid 53 and name HE% )
(( segid "PAH2" and resid 57 and name HG2 ))
2.200 0.600 0.600 peak 1693 weight 0.10000E+01 volume 0.82196E-02 ppm1 2.069 ppm2 2.382 CV 1
OR { 1693}
( segid "PAH2" and resid 53 and name HE% )
(( segid "PAH2" and resid 57 and name HG3 ))
ASSI { 1694}
( segid "PAH2" and resid 53 and name HE% )
(( segid "PAH2" and resid 53 and name HG2 ))
2.100 0.500 0.500 peak 1694 weight 0.10000E+01 volume 0.11579E-01 ppm1 2.069 ppm2 2.679 CV 1
OR { 1694}
( segid "PAH2" and resid 53 and name HE% )
(( segid "PAH2" and resid 53 and name HG3 ))
ASSI { 1695}
( segid "PAH2" and resid 53 and name HE% )
(( segid "PAH2" and resid 38 and name HB2 ))
2.300 0.700 0.700 peak 1695 weight 0.10000E+01 volume 0.57700E-02 ppm1 2.069 ppm2 3.163 CV 1
ASSI { 1697}
( segid "PAH2" and resid 53 and name HE% )
(( segid "PAH2" and resid 38 and name HA ))
2.300 0.700 0.700 peak 1697 weight 0.10000E+01 volume 0.65203E-02 ppm1 2.069 ppm2 4.105 CV 1
ASSI { 1698}
( segid "PAH2" and resid 53 and name HE% )
(( segid "PAH2" and resid 37 and name HB ))
2.300 0.700 0.700 peak 1698 weight 0.10000E+01 volume 0.67114E-02 ppm1 2.069 ppm2 4.464 CV 1
ASSI { 1700}
( segid "PAH2" and resid 53 and name HE% )
( segid "PAH2" and resid 38 and name HD% )
3.200 1.300 1.300 peak 1700 weight 0.10000E+01 volume 0.90579E-03 ppm1 2.069 ppm2 6.968 CV 1
ASSI { 1701}
( segid "PAH2" and resid 53 and name HE% )
(( segid "PAH2" and resid 58 and name HN ))
2.500 0.800 0.800 peak 1701 weight 0.10000E+01 volume 0.38086E-02 ppm1 2.070 ppm2 8.048 CV 1
ASSI { 1702}
( segid "PAH2" and resid 53 and name HE% )
(( segid "PAH2" and resid 38 and name HN ))
2.700 0.900 0.900 peak 1702 weight 0.10000E+01 volume 0.27052E-02 ppm1 2.070 ppm2 8.170 CV 1
ASSI { 1705}
( segid "PAH2" and resid 53 and name HE% )
(( segid "PAH2" and resid 54 and name HN ))
3.600 1.700 1.700 peak 1705 weight 0.10000E+01 volume 0.41680E-03 ppm1 2.069 ppm2 8.989 CV 1
ASSI { 1706}
(( segid "PAH2" and resid 54 and name HB3 ))
(( segid "PAH2" and resid 54 and name HB2 ))
2.000 0.500 0.500 peak 1706 weight 0.10000E+01 volume 0.14521E-01 ppm1 4.094 ppm2 4.512 CV 1
ASSI { 1707}
(( segid "PAH2" and resid 54 and name HB3 ))
(( segid "PAH2" and resid 54 and name HA ))
2.100 0.500 0.500 peak 1707 weight 0.10000E+01 volume 0.12070E-01 ppm1 4.094 ppm2 4.818 CV 1
ASSI { 1713}
(( segid "PAH2" and resid 54 and name HB2 ))
(( segid "PAH2" and resid 54 and name HN ))
3.000 1.100 1.100 peak 1713 weight 0.10000E+01 volume 0.14251E-02 ppm1 4.514 ppm2 8.976 CV 1
ASSI { 1715}
(( segid "PAH2" and resid 55 and name HA ))
(( segid "PAH2" and resid 55 and name HG3 ))
2.300 0.600 0.600 peak 1715 weight 0.10000E+01 volume 0.69863E-02 ppm1 3.843 ppm2 2.382 CV 1
OR { 1715}
(( segid "PAH2" and resid 55 and name HA ))
(( segid "PAH2" and resid 55 and name HG2 ))
ASSI { 1717}
(( segid "PAH2" and resid 55 and name HA ))
(( segid "PAH2" and resid 55 and name HB3 ))
2.200 0.600 0.600 peak 1717 weight 0.10000E+01 volume 0.74950E-02 ppm1 3.843 ppm2 1.990 CV 1
ASSI { 1719}
(( segid "PAH2" and resid 55 and name HA ))
(( segid "PAH2" and resid 58 and name HN ))
2.800 1.000 1.000 peak 1719 weight 0.10000E+01 volume 0.18584E-02 ppm1 3.843 ppm2 8.088 CV 1
ASSI { 1720}
(( segid "PAH2" and resid 55 and name HB3 ))
(( segid "PAH2" and resid 55 and name HN ))
2.900 1.100 1.100 peak 1720 weight 0.10000E+01 volume 0.16155E-02 ppm1 1.990 ppm2 9.162 CV 1
ASSI { 1722}
(( segid "PAH2" and resid 55 and name HG2 ))
(( segid "PAH2" and resid 55 and name HA ))
2.900 1.000 1.000 peak 1722 weight 0.10000E+01 volume 0.17484E-02 ppm1 2.334 ppm2 3.843 CV 1
ASSI { 1723}
(( segid "PAH2" and resid 55 and name HG3 ))
(( segid "PAH2" and resid 55 and name HA ))
2.500 0.800 0.800 peak 1723 weight 0.10000E+01 volume 0.37503E-02 ppm1 2.424 ppm2 3.843 CV 1
ASSI { 1726}
(( segid "PAH2" and resid 56 and name HA ))
(( segid "PAH2" and resid 59 and name HB3 ))
2.800 1.000 1.000 peak 1726 weight 0.10000E+01 volume 0.21469E-02 ppm1 4.041 ppm2 3.305 CV 1
ASSI { 1727}
(( segid "PAH2" and resid 56 and name HA ))
(( segid "PAH2" and resid 59 and name HB2 ))
3.400 1.500 1.500 peak 1727 weight 0.10000E+01 volume 0.58020E-03 ppm1 4.040 ppm2 3.076 CV 1
ASSI { 1733}
(( segid "PAH2" and resid 58 and name HA ))
(( segid "PAH2" and resid 57 and name HG3 ))
2.900 1.000 1.000 peak 1733 weight 0.10000E+01 volume 0.16986E-02 ppm1 3.583 ppm2 2.382 CV 1
OR { 1733}
(( segid "PAH2" and resid 58 and name HA ))
(( segid "PAH2" and resid 57 and name HG2 ))
ASSI { 1735}
(( segid "PAH2" and resid 58 and name HA ))
( segid "PAH2" and resid 58 and name HG2%)
1.900 0.500 0.500 peak 1735 weight 0.10000E+01 volume 0.17597E-01 ppm1 3.583 ppm2 0.795 CV 1
OR { 1735}
(( segid "PAH2" and resid 58 and name HA ))
( segid "PAH2" and resid 58 and name HG1%)
ASSI { 1737}
(( segid "PAH2" and resid 58 and name HA ))
(( segid "PAH2" and resid 58 and name HN ))
2.600 0.800 0.800 peak 1737 weight 0.10000E+01 volume 0.33716E-02 ppm1 3.583 ppm2 8.088 CV 1
ASSI { 1739}
(( segid "PAH2" and resid 58 and name HB ))
( segid "PAH2" and resid 58 and name HG2%)
2.100 0.500 0.500 peak 1739 weight 0.10000E+01 volume 0.11672E-01 ppm1 2.151 ppm2 0.820 CV 1
OR { 1739}
(( segid "PAH2" and resid 58 and name HB ))
( segid "PAH2" and resid 58 and name HG1%)
ASSI { 1740}
(( segid "PAH2" and resid 58 and name HB ))
(( segid "PAH2" and resid 58 and name HA ))
2.900 1.000 1.000 peak 1740 weight 0.10000E+01 volume 0.17341E-02 ppm1 2.151 ppm2 3.584 CV 1
ASSI { 1741}
(( segid "PAH2" and resid 58 and name HB ))
(( segid "PAH2" and resid 55 and name HA ))
2.900 1.100 1.100 peak 1741 weight 0.10000E+01 volume 0.15267E-02 ppm1 2.151 ppm2 3.843 CV 1
ASSI { 1742}
(( segid "PAH2" and resid 58 and name HB ))
(( segid "PAH2" and resid 58 and name HN ))
2.500 0.800 0.800 peak 1742 weight 0.10000E+01 volume 0.39862E-02 ppm1 2.151 ppm2 8.088 CV 1
ASSI { 1745}
( segid "PAH2" and resid 58 and name HG1%)
(( segid "PAH2" and resid 58 and name HB ))
2.100 0.600 0.600 peak 1745 weight 0.10000E+01 volume 0.10408E-01 ppm1 0.791 ppm2 2.146 CV 1
ASSI { 1747}
( segid "PAH2" and resid 58 and name HG1%)
(( segid "PAH2" and resid 58 and name HA ))
2.500 0.800 0.800 peak 1747 weight 0.10000E+01 volume 0.36338E-02 ppm1 0.791 ppm2 3.584 CV 1
ASSI { 1748}
( segid "PAH2" and resid 58 and name HG1%)
(( segid "PAH2" and resid 35 and name HA ))
2.600 0.800 0.800 peak 1748 weight 0.10000E+01 volume 0.34142E-02 ppm1 0.791 ppm2 3.845 CV 1
ASSI { 1750}
( segid "PAH2" and resid 58 and name HG1%)
(( segid "PAH2" and resid 76 and name HZ ))
2.200 0.600 0.600 peak 1750 weight 0.10000E+01 volume 0.75091E-02 ppm1 0.791 ppm2 6.832 CV 1
ASSI { 1751}
( segid "PAH2" and resid 58 and name HG1%)
( segid "PAH2" and resid 76 and name HE% )
2.300 0.700 0.700 peak 1751 weight 0.10000E+01 volume 0.62532E-02 ppm1 0.791 ppm2 7.092 CV 1
ASSI { 1754}
( segid "PAH2" and resid 58 and name HG1%)
(( segid "PAH2" and resid 59 and name HN ))
2.600 0.900 0.900 peak 1754 weight 0.10000E+01 volume 0.30399E-02 ppm1 0.791 ppm2 8.369 CV 1
ASSI { 1761}
( segid "PAH2" and resid 58 and name HG2%)
(( segid "PAH2" and resid 59 and name HN ))
3.000 1.100 1.100 peak 1761 weight 0.10000E+01 volume 0.14408E-02 ppm1 0.841 ppm2 8.369 CV 1
ASSI { 1763}
( segid "PAH2" and resid 58 and name HG2%)
(( segid "PAH2" and resid 58 and name HA ))
2.300 0.700 0.700 peak 1763 weight 0.10000E+01 volume 0.57260E-02 ppm1 0.841 ppm2 3.584 CV 1
ASSI { 1767}
(( segid "PAH2" and resid 59 and name HA ))
(( segid "PAH2" and resid 59 and name HB3 ))
2.600 0.900 0.900 peak 1767 weight 0.10000E+01 volume 0.29625E-02 ppm1 3.986 ppm2 3.312 CV 1
ASSI { 1768}
(( segid "PAH2" and resid 59 and name HA ))
(( segid "PAH2" and resid 59 and name HB2 ))
2.400 0.700 0.700 peak 1768 weight 0.10000E+01 volume 0.46959E-02 ppm1 3.986 ppm2 3.076 CV 1
ASSI { 1769}
(( segid "PAH2" and resid 59 and name HA ))
(( segid "PAH2" and resid 62 and name HB ))
2.700 0.900 0.900 peak 1769 weight 0.10000E+01 volume 0.25703E-02 ppm1 3.986 ppm2 1.539 CV 1
ASSI { 1770}
(( segid "PAH2" and resid 59 and name HA ))
( segid "PAH2" and resid 58 and name HG1%)
2.700 0.900 0.900 peak 1770 weight 0.10000E+01 volume 0.27642E-02 ppm1 3.986 ppm2 0.783 CV 1
ASSI { 1771}
(( segid "PAH2" and resid 59 and name HA ))
( segid "PAH2" and resid 62 and name HG2%)
3.000 1.100 1.100 peak 1771 weight 0.10000E+01 volume 0.13057E-02 ppm1 3.986 ppm2 0.585 CV 1
ASSI { 1772}
(( segid "PAH2" and resid 59 and name HA ))
( segid "PAH2" and resid 76 and name HE% )
2.300 0.700 0.700 peak 1772 weight 0.10000E+01 volume 0.63548E-02 ppm1 3.986 ppm2 7.129 CV 1
ASSI { 1773}
(( segid "PAH2" and resid 59 and name HA ))
( segid "PAH2" and resid 76 and name HD% )
3.200 1.200 1.200 peak 1773 weight 0.10000E+01 volume 0.96617E-03 ppm1 3.986 ppm2 7.390 CV 1
ASSI { 1776}
(( segid "PAH2" and resid 59 and name HB2 ))
( segid "PAH2" and resid 80 and name HD1%)
3.000 1.200 1.200 peak 1776 weight 0.10000E+01 volume 0.12233E-02 ppm1 3.062 ppm2 0.707 CV 1
ASSI { 1780}
(( segid "PAH2" and resid 59 and name HB3 ))
(( segid "PAH2" and resid 59 and name HB2 ))
1.800 0.400 0.400 peak 1780 weight 0.10000E+01 volume 0.28068E-01 ppm1 3.303 ppm2 3.064 CV 1
ASSI { 1783}
(( segid "PAH2" and resid 60 and name HA ))
(( segid "PAH2" and resid 60 and name HB ))
2.600 0.800 0.800 peak 1783 weight 0.10000E+01 volume 0.34242E-02 ppm1 3.778 ppm2 4.342 CV 1
ASSI { 1785}
(( segid "PAH2" and resid 60 and name HA ))
( segid "PAH2" and resid 76 and name HE% )
4.000 2.000 2.000 peak 1785 weight 0.10000E+01 volume 0.22030E-03 ppm1 3.778 ppm2 7.156 CV 1
ASSI { 1786}
(( segid "PAH2" and resid 60 and name HA ))
(( segid "PAH2" and resid 64 and name HN ))
4.100 2.100 1.900 peak 1786 weight 0.10000E+01 volume 0.20460E-03 ppm1 3.778 ppm2 7.564 CV 1
ASSI { 1787}
(( segid "PAH2" and resid 60 and name HA ))
(( segid "PAH2" and resid 61 and name HN ))
3.500 1.500 1.500 peak 1787 weight 0.10000E+01 volume 0.53729E-03 ppm1 3.778 ppm2 7.996 CV 1
ASSI { 1788}
(( segid "PAH2" and resid 60 and name HA ))
(( segid "PAH2" and resid 60 and name HN ))
2.500 0.800 0.800 peak 1788 weight 0.10000E+01 volume 0.39236E-02 ppm1 3.778 ppm2 8.354 CV 1
ASSI { 1789}
(( segid "PAH2" and resid 60 and name HA ))
(( segid "PAH2" and resid 63 and name HN ))
3.100 1.200 1.200 peak 1789 weight 0.10000E+01 volume 0.10770E-02 ppm1 3.778 ppm2 8.737 CV 1
ASSI { 1790}
(( segid "PAH2" and resid 60 and name HB ))
(( segid "PAH2" and resid 57 and name HA ))
2.600 0.800 0.800 peak 1790 weight 0.10000E+01 volume 0.34675E-02 ppm1 4.328 ppm2 4.082 CV 1
ASSI { 1792}
(( segid "PAH2" and resid 60 and name HB ))
(( segid "PAH2" and resid 57 and name HG3 ))
3.200 1.300 1.300 peak 1792 weight 0.10000E+01 volume 0.87381E-03 ppm1 4.328 ppm2 2.379 CV 1
OR { 1792}
(( segid "PAH2" and resid 60 and name HB ))
(( segid "PAH2" and resid 57 and name HG2 ))
ASSI { 1793}
(( segid "PAH2" and resid 60 and name HB ))
(( segid "PAH2" and resid 61 and name HB2 ))
3.700 1.700 1.700 peak 1793 weight 0.10000E+01 volume 0.37474E-03 ppm1 4.328 ppm2 2.045 CV 1
OR { 1793}
(( segid "PAH2" and resid 60 and name HB ))
(( segid "PAH2" and resid 61 and name HB3 ))
ASSI { 1794}
(( segid "PAH2" and resid 60 and name HB ))
( segid "PAH2" and resid 60 and name HG2%)
2.100 0.500 0.500 peak 1794 weight 0.10000E+01 volume 0.11900E-01 ppm1 4.328 ppm2 1.255 CV 1
ASSI { 1797}
( segid "PAH2" and resid 60 and name HG2%)
(( segid "PAH2" and resid 60 and name HA ))
2.000 0.500 0.500 peak 1797 weight 0.10000E+01 volume 0.12987E-01 ppm1 1.247 ppm2 3.786 CV 1
ASSI { 1800}
( segid "PAH2" and resid 60 and name HG2%)
(( segid "PAH2" and resid 64 and name HD22))
2.800 1.000 1.000 peak 1800 weight 0.10000E+01 volume 0.18905E-02 ppm1 1.249 ppm2 6.920 CV 1
ASSI { 1801}
( segid "PAH2" and resid 60 and name HG2%)
(( segid "PAH2" and resid 64 and name HD21))
2.900 1.000 1.000 peak 1801 weight 0.10000E+01 volume 0.16538E-02 ppm1 1.248 ppm2 7.700 CV 1
ASSI { 1802}
( segid "PAH2" and resid 60 and name HG2%)
(( segid "PAH2" and resid 61 and name HN ))
2.600 0.900 0.900 peak 1802 weight 0.10000E+01 volume 0.27827E-02 ppm1 1.250 ppm2 7.993 CV 1
ASSI { 1804}
(( segid "PAH2" and resid 62 and name HA ))
(( segid "PAH2" and resid 62 and name HB ))
2.400 0.700 0.700 peak 1804 weight 0.10000E+01 volume 0.48344E-02 ppm1 2.977 ppm2 1.539 CV 1
ASSI { 1806}
(( segid "PAH2" and resid 62 and name HA ))
( segid "PAH2" and resid 62 and name HG2%)
2.200 0.600 0.600 peak 1806 weight 0.10000E+01 volume 0.86458E-02 ppm1 2.977 ppm2 0.564 CV 1
ASSI { 1807}
(( segid "PAH2" and resid 62 and name HA ))
( segid "PAH2" and resid 62 and name HG1%)
2.400 0.700 0.700 peak 1807 weight 0.10000E+01 volume 0.56805E-02 ppm1 2.977 ppm2 -0.227 CV 1
ASSI { 1810}
(( segid "PAH2" and resid 62 and name HA ))
(( segid "PAH2" and resid 62 and name HN ))
2.700 0.900 0.900 peak 1810 weight 0.10000E+01 volume 0.24602E-02 ppm1 2.977 ppm2 8.379 CV 1
ASSI { 1811}
(( segid "PAH2" and resid 62 and name HA ))
(( segid "PAH2" and resid 63 and name HN ))
3.200 1.300 1.300 peak 1811 weight 0.10000E+01 volume 0.93278E-03 ppm1 2.975 ppm2 8.726 CV 1
ASSI { 1817}
( segid "PAH2" and resid 62 and name HG1%)
( segid "PAH2" and resid 62 and name HG2%)
2.000 0.500 0.500 peak 1817 weight 0.10000E+01 volume 0.13164E-01 ppm1 -0.228 ppm2 0.551 CV 1
ASSI { 1818}
( segid "PAH2" and resid 62 and name HG1%)
( segid "PAH2" and resid 73 and name HD1%)
2.200 0.600 0.600 peak 1818 weight 0.10000E+01 volume 0.92781E-02 ppm1 -0.228 ppm2 0.823 CV 1
OR { 1818}
( segid "PAH2" and resid 62 and name HG1%)
( segid "PAH2" and resid 73 and name HD2%)
ASSI { 1819}
( segid "PAH2" and resid 62 and name HG1%)
(( segid "PAH2" and resid 62 and name HB ))
2.200 0.600 0.600 peak 1819 weight 0.10000E+01 volume 0.84256E-02 ppm1 -0.228 ppm2 1.539 CV 1
ASSI { 1821}
( segid "PAH2" and resid 62 and name HG1%)
( segid "PAH2" and resid 66 and name HD% )
2.700 0.900 0.900 peak 1821 weight 0.10000E+01 volume 0.27693E-02 ppm1 -0.225 ppm2 6.640 CV 1
ASSI { 1822}
( segid "PAH2" and resid 62 and name HG1%)
( segid "PAH2" and resid 31 and name HD% )
2.300 0.600 0.600 peak 1822 weight 0.10000E+01 volume 0.70381E-02 ppm1 -0.225 ppm2 6.873 CV 1
ASSI { 1823}
( segid "PAH2" and resid 62 and name HG1%)
( segid "PAH2" and resid 76 and name HE% )
3.000 1.200 1.200 peak 1823 weight 0.10000E+01 volume 0.12284E-02 ppm1 -0.223 ppm2 7.122 CV 1
ASSI { 1824}
( segid "PAH2" and resid 62 and name HG1%)
( segid "PAH2" and resid 76 and name HD% )
3.400 1.500 1.500 peak 1824 weight 0.10000E+01 volume 0.57046E-03 ppm1 -0.223 ppm2 7.370 CV 1
ASSI { 1825}
( segid "PAH2" and resid 62 and name HG1%)
(( segid "PAH2" and resid 62 and name HN ))
3.000 1.100 1.100 peak 1825 weight 0.10000E+01 volume 0.12866E-02 ppm1 -0.225 ppm2 8.361 CV 1
ASSI { 1828}
( segid "PAH2" and resid 62 and name HG2%)
(( segid "PAH2" and resid 62 and name HB ))
2.200 0.600 0.600 peak 1828 weight 0.10000E+01 volume 0.86316E-02 ppm1 0.553 ppm2 1.539 CV 1
ASSI { 1829}
( segid "PAH2" and resid 62 and name HG2%)
(( segid "PAH2" and resid 61 and name HB2 ))
3.100 1.200 1.200 peak 1829 weight 0.10000E+01 volume 0.10940E-02 ppm1 0.553 ppm2 2.045 CV 1
OR { 1829}
( segid "PAH2" and resid 62 and name HG2%)
(( segid "PAH2" and resid 61 and name HB3 ))
ASSI { 1832}
( segid "PAH2" and resid 62 and name HG2%)
( segid "PAH2" and resid 31 and name HD% )
2.100 0.600 0.600 peak 1832 weight 0.10000E+01 volume 0.10287E-01 ppm1 0.551 ppm2 6.862 CV 1
ASSI { 1833}
( segid "PAH2" and resid 62 and name HG2%)
( segid "PAH2" and resid 76 and name HE% )
2.600 0.800 0.800 peak 1833 weight 0.10000E+01 volume 0.33283E-02 ppm1 0.553 ppm2 7.107 CV 1
ASSI { 1838}
(( segid "PAH2" and resid 63 and name HA ))
(( segid "PAH2" and resid 64 and name HN ))
3.200 1.300 1.300 peak 1838 weight 0.10000E+01 volume 0.95196E-03 ppm1 3.760 ppm2 7.564 CV 1
ASSI { 1840}
(( segid "PAH2" and resid 63 and name HA ))
(( segid "PAH2" and resid 66 and name HB2 ))
3.100 1.200 1.200 peak 1840 weight 0.10000E+01 volume 0.11281E-02 ppm1 3.761 ppm2 2.922 CV 1
ASSI { 1841}
(( segid "PAH2" and resid 63 and name HA ))
( segid "PAH2" and resid 63 and name HB% )
2.000 0.500 0.500 peak 1841 weight 0.10000E+01 volume 0.17128E-01 ppm1 3.761 ppm2 1.178 CV 1
ASSI { 1842}
(( segid "PAH2" and resid 63 and name HA ))
( segid "PAH2" and resid 73 and name HD2%)
2.100 0.500 0.500 peak 1842 weight 0.10000E+01 volume 0.12624E-01 ppm1 3.760 ppm2 0.885 CV 1
OR { 1842}
(( segid "PAH2" and resid 63 and name HA ))
( segid "PAH2" and resid 73 and name HD1%)
ASSI { 1843}
(( segid "PAH2" and resid 63 and name HA ))
( segid "PAH2" and resid 62 and name HG1%)
3.600 1.600 1.600 peak 1843 weight 0.10000E+01 volume 0.43882E-03 ppm1 3.760 ppm2 -0.227 CV 1
ASSI { 1844}
( segid "PAH2" and resid 63 and name HB% )
( segid "PAH2" and resid 73 and name HD1%)
2.100 0.500 0.500 peak 1844 weight 0.10000E+01 volume 0.11999E-01 ppm1 1.176 ppm2 0.858 CV 1
ASSI { 1845}
( segid "PAH2" and resid 63 and name HB% )
( segid "PAH2" and resid 62 and name HG1%)
3.600 1.600 1.600 peak 1845 weight 0.10000E+01 volume 0.45531E-03 ppm1 1.176 ppm2 -0.226 CV 1
ASSI { 1846}
( segid "PAH2" and resid 63 and name HB% )
(( segid "PAH2" and resid 64 and name HB2 ))
3.100 1.200 1.200 peak 1846 weight 0.10000E+01 volume 0.98819E-03 ppm1 1.178 ppm2 2.835 CV 1
OR { 1846}
( segid "PAH2" and resid 63 and name HB% )
(( segid "PAH2" and resid 64 and name HB3 ))
ASSI { 1854}
(( segid "PAH2" and resid 64 and name HA ))
(( segid "PAH2" and resid 64 and name HB3 ))
1.900 0.500 0.500 peak 1854 weight 0.10000E+01 volume 0.19501E-01 ppm1 4.443 ppm2 2.823 CV 1
OR { 1854}
(( segid "PAH2" and resid 64 and name HA ))
(( segid "PAH2" and resid 64 and name HB2 ))
ASSI { 1856}
(( segid "PAH2" and resid 64 and name HA ))
(( segid "PAH2" and resid 67 and name HB2 ))
2.600 0.800 0.800 peak 1856 weight 0.10000E+01 volume 0.33120E-02 ppm1 4.443 ppm2 1.835 CV 1
ASSI { 1857}
(( segid "PAH2" and resid 64 and name HA ))
( segid "PAH2" and resid 63 and name HB% )
3.100 1.200 1.200 peak 1857 weight 0.10000E+01 volume 0.10017E-02 ppm1 4.443 ppm2 1.206 CV 1
ASSI { 1860}
(( segid "PAH2" and resid 65 and name HA ))
(( segid "PAH2" and resid 65 and name HN ))
2.400 0.700 0.700 peak 1860 weight 0.10000E+01 volume 0.51008E-02 ppm1 4.045 ppm2 7.564 CV 1
ASSI { 1861}
(( segid "PAH2" and resid 65 and name HA ))
( segid "PAH2" and resid 65 and name HD2%)
2.000 0.500 0.500 peak 1861 weight 0.10000E+01 volume 0.17278E-01 ppm1 4.045 ppm2 0.798 CV 1
ASSI { 1862}
(( segid "PAH2" and resid 65 and name HA ))
(( segid "PAH2" and resid 65 and name HB3 ))
2.100 0.600 0.600 peak 1862 weight 0.10000E+01 volume 0.10145E-01 ppm1 4.045 ppm2 1.403 CV 1
OR { 1862}
(( segid "PAH2" and resid 65 and name HA ))
(( segid "PAH2" and resid 65 and name HB2 ))
ASSI { 1863}
(( segid "PAH2" and resid 65 and name HA ))
(( segid "PAH2" and resid 65 and name HG ))
2.200 0.600 0.600 peak 1863 weight 0.10000E+01 volume 0.91857E-02 ppm1 4.045 ppm2 1.527 CV 1
ASSI { 1865}
(( segid "PAH2" and resid 65 and name HB2 ))
(( segid "PAH2" and resid 65 and name HA ))
2.700 0.900 0.900 peak 1865 weight 0.10000E+01 volume 0.22989E-02 ppm1 1.372 ppm2 4.058 CV 1
ASSI { 1867}
(( segid "PAH2" and resid 65 and name HB2 ))
(( segid "PAH2" and resid 66 and name HN ))
3.000 1.100 1.100 peak 1867 weight 0.10000E+01 volume 0.12688E-02 ppm1 1.372 ppm2 8.231 CV 1
ASSI { 1868}
(( segid "PAH2" and resid 65 and name HB2 ))
( segid "PAH2" and resid 65 and name HD1%)
2.000 0.500 0.500 peak 1868 weight 0.10000E+01 volume 0.14621E-01 ppm1 1.372 ppm2 0.798 CV 1
ASSI { 1869}
(( segid "PAH2" and resid 65 and name HB3 ))
( segid "PAH2" and resid 65 and name HD2%)
2.000 0.500 0.500 peak 1869 weight 0.10000E+01 volume 0.17186E-01 ppm1 1.472 ppm2 0.798 CV 1
OR { 1869}
(( segid "PAH2" and resid 65 and name HB3 ))
( segid "PAH2" and resid 65 and name HD1%)
ASSI { 1870}
(( segid "PAH2" and resid 65 and name HB3 ))
(( segid "PAH2" and resid 65 and name HA ))
2.600 0.900 0.900 peak 1870 weight 0.10000E+01 volume 0.30207E-02 ppm1 1.472 ppm2 4.058 CV 1
ASSI { 1871}
(( segid "PAH2" and resid 65 and name HB3 ))
(( segid "PAH2" and resid 65 and name HN ))
2.500 0.800 0.800 peak 1871 weight 0.10000E+01 volume 0.42206E-02 ppm1 1.472 ppm2 7.564 CV 1
ASSI { 1872}
(( segid "PAH2" and resid 65 and name HB3 ))
(( segid "PAH2" and resid 66 and name HN ))
3.100 1.200 1.200 peak 1872 weight 0.10000E+01 volume 0.11892E-02 ppm1 1.472 ppm2 8.231 CV 1
ASSI { 1873}
(( segid "PAH2" and resid 65 and name HG ))
( segid "PAH2" and resid 65 and name HD1%)
2.000 0.500 0.500 peak 1873 weight 0.10000E+01 volume 0.13441E-01 ppm1 1.589 ppm2 0.798 CV 1
OR { 1873}
(( segid "PAH2" and resid 65 and name HG ))
( segid "PAH2" and resid 65 and name HD2%)
ASSI { 1876}
( segid "PAH2" and resid 65 and name HD2%)
( segid "PAH2" and resid 27 and name HG2%)
2.500 0.800 0.800 peak 1876 weight 0.10000E+01 volume 0.35891E-02 ppm1 0.774 ppm2 -0.017 CV 1
ASSI { 1877}
( segid "PAH2" and resid 65 and name HD2%)
(( segid "PAH2" and resid 65 and name HB3 ))
2.100 0.600 0.600 peak 1877 weight 0.10000E+01 volume 0.10976E-01 ppm1 0.774 ppm2 1.416 CV 1
ASSI { 1878}
( segid "PAH2" and resid 65 and name HD2%)
(( segid "PAH2" and resid 65 and name HG ))
2.100 0.500 0.500 peak 1878 weight 0.10000E+01 volume 0.11907E-01 ppm1 0.774 ppm2 1.576 CV 1
ASSI { 1881}
( segid "PAH2" and resid 65 and name HD1%)
(( segid "PAH2" and resid 31 and name HB3 ))
3.000 1.200 1.200 peak 1881 weight 0.10000E+01 volume 0.12169E-02 ppm1 0.774 ppm2 3.514 CV 1
ASSI { 1882}
( segid "PAH2" and resid 65 and name HD2%)
(( segid "PAH2" and resid 27 and name HA ))
2.800 1.000 1.000 peak 1882 weight 0.10000E+01 volume 0.19572E-02 ppm1 0.774 ppm2 3.700 CV 1
ASSI { 1885}
( segid "PAH2" and resid 65 and name HD2%)
( segid "PAH2" and resid 66 and name HD% )
2.600 0.900 0.900 peak 1885 weight 0.10000E+01 volume 0.30094E-02 ppm1 0.774 ppm2 6.647 CV 1
ASSI { 1886}
( segid "PAH2" and resid 65 and name HD1%)
( segid "PAH2" and resid 31 and name HD% )
2.400 0.800 0.800 peak 1886 weight 0.10000E+01 volume 0.44487E-02 ppm1 0.774 ppm2 6.848 CV 1
ASSI { 1891}
( segid "PAH2" and resid 65 and name HD1%)
( segid "PAH2" and resid 27 and name HG2%)
2.500 0.800 0.800 peak 1891 weight 0.10000E+01 volume 0.35926E-02 ppm1 0.829 ppm2 -0.017 CV 1
ASSI { 1892}
( segid "PAH2" and resid 65 and name HD1%)
(( segid "PAH2" and resid 65 and name HB2 ))
2.200 0.600 0.600 peak 1892 weight 0.10000E+01 volume 0.92710E-02 ppm1 0.829 ppm2 1.416 CV 1
OR { 1892}
( segid "PAH2" and resid 65 and name HD1%)
(( segid "PAH2" and resid 65 and name HB3 ))
ASSI { 1893}
( segid "PAH2" and resid 65 and name HD1%)
(( segid "PAH2" and resid 65 and name HG ))
2.000 0.500 0.500 peak 1893 weight 0.10000E+01 volume 0.13093E-01 ppm1 0.829 ppm2 1.576 CV 1
ASSI { 1896}
( segid "PAH2" and resid 73 and name HD2%)
(( segid "PAH2" and resid 66 and name HB3 ))
2.700 0.900 0.900 peak 1896 weight 0.10000E+01 volume 0.25632E-02 ppm1 0.829 ppm2 3.700 CV 1
ASSI { 1897}
( segid "PAH2" and resid 73 and name HD2%)
(( segid "PAH2" and resid 70 and name HA ))
2.200 0.600 0.600 peak 1897 weight 0.10000E+01 volume 0.81201E-02 ppm1 0.829 ppm2 3.897 CV 1
ASSI { 1899}
( segid "PAH2" and resid 65 and name HD1%)
( segid "PAH2" and resid 66 and name HD% )
3.000 1.100 1.100 peak 1899 weight 0.10000E+01 volume 0.13803E-02 ppm1 0.831 ppm2 6.622 CV 1
ASSI { 1901}
( segid "PAH2" and resid 73 and name HD2%)
( segid "PAH2" and resid 76 and name HD% )
3.500 1.500 1.500 peak 1901 weight 0.10000E+01 volume 0.50689E-03 ppm1 0.829 ppm2 7.329 CV 1
ASSI { 1902}
( segid "PAH2" and resid 65 and name HD1%)
(( segid "PAH2" and resid 65 and name HN ))
2.800 1.000 1.000 peak 1902 weight 0.10000E+01 volume 0.19828E-02 ppm1 0.830 ppm2 7.553 CV 1
ASSI { 1904}
( segid "PAH2" and resid 65 and name HD1%)
(( segid "PAH2" and resid 66 and name HN ))
2.900 1.000 1.000 peak 1904 weight 0.10000E+01 volume 0.17676E-02 ppm1 0.829 ppm2 8.255 CV 1
ASSI { 1905}
(( segid "PAH2" and resid 66 and name HB2 ))
(( segid "PAH2" and resid 66 and name HB3 ))
2.200 0.600 0.600 peak 1905 weight 0.10000E+01 volume 0.76797E-02 ppm1 2.917 ppm2 3.700 CV 1
ASSI { 1906}
(( segid "PAH2" and resid 66 and name HB2 ))
(( segid "PAH2" and resid 66 and name HA ))
4.300 2.300 1.700 peak 1906 weight 0.10000E+01 volume 0.15921E-03 ppm1 2.917 ppm2 4.909 CV 1
ASSI { 1910}
(( segid "PAH2" and resid 66 and name HB3 ))
(( segid "PAH2" and resid 69 and name HB2 ))
3.700 1.800 1.800 peak 1910 weight 0.10000E+01 volume 0.34860E-03 ppm1 3.694 ppm2 1.848 CV 1
OR { 1910}
(( segid "PAH2" and resid 66 and name HB3 ))
(( segid "PAH2" and resid 69 and name HB3 ))
ASSI { 1911}
(( segid "PAH2" and resid 66 and name HB3 ))
(( segid "PAH2" and resid 66 and name HA ))
3.200 1.300 1.300 peak 1911 weight 0.10000E+01 volume 0.92852E-03 ppm1 3.694 ppm2 4.897 CV 1
ASSI { 1913}
(( segid "PAH2" and resid 66 and name HB3 ))
(( segid "PAH2" and resid 66 and name HN ))
3.300 1.400 1.400 peak 1913 weight 0.10000E+01 volume 0.76015E-03 ppm1 3.694 ppm2 8.243 CV 1
ASSI { 1918}
(( segid "PAH2" and resid 67 and name HA ))
(( segid "PAH2" and resid 67 and name HD3 ))
3.500 1.500 1.500 peak 1918 weight 0.10000E+01 volume 0.52877E-03 ppm1 4.128 ppm2 3.292 CV 1
OR { 1918}
(( segid "PAH2" and resid 67 and name HA ))
(( segid "PAH2" and resid 67 and name HD2 ))
ASSI { 1920}
(( segid "PAH2" and resid 67 and name HA ))
(( segid "PAH2" and resid 67 and name HB2 ))
2.000 0.500 0.500 peak 1920 weight 0.10000E+01 volume 0.13256E-01 ppm1 4.128 ppm2 1.860 CV 1
OR { 1920}
(( segid "PAH2" and resid 67 and name HA ))
(( segid "PAH2" and resid 67 and name HG3 ))
ASSI { 1921}
(( segid "PAH2" and resid 67 and name HA ))
(( segid "PAH2" and resid 67 and name HG2 ))
2.700 0.900 0.900 peak 1921 weight 0.10000E+01 volume 0.24161E-02 ppm1 4.128 ppm2 1.724 CV 1
ASSI { 1922}
(( segid "PAH2" and resid 67 and name HB2 ))
(( segid "PAH2" and resid 67 and name HD3 ))
2.700 0.900 0.900 peak 1922 weight 0.10000E+01 volume 0.27735E-02 ppm1 1.862 ppm2 3.292 CV 1
OR { 1922}
(( segid "PAH2" and resid 67 and name HB2 ))
(( segid "PAH2" and resid 67 and name HD2 ))
ASSI { 1923}
(( segid "PAH2" and resid 67 and name HB2 ))
(( segid "PAH2" and resid 67 and name HA ))
2.500 0.800 0.800 peak 1923 weight 0.10000E+01 volume 0.40565E-02 ppm1 1.862 ppm2 4.132 CV 1
ASSI { 1925}
(( segid "PAH2" and resid 67 and name HB3 ))
(( segid "PAH2" and resid 67 and name HD3 ))
2.700 0.900 0.900 peak 1925 weight 0.10000E+01 volume 0.25880E-02 ppm1 2.005 ppm2 3.292 CV 1
OR { 1925}
(( segid "PAH2" and resid 67 and name HB3 ))
(( segid "PAH2" and resid 67 and name HD2 ))
ASSI { 1927}
(( segid "PAH2" and resid 67 and name HG2 ))
(( segid "PAH2" and resid 67 and name HD2 ))
2.200 0.600 0.600 peak 1927 weight 0.10000E+01 volume 0.75802E-02 ppm1 1.724 ppm2 3.292 CV 1
OR { 1927}
(( segid "PAH2" and resid 67 and name HG2 ))
(( segid "PAH2" and resid 67 and name HD3 ))
ASSI { 1930}
(( segid "PAH2" and resid 67 and name HG3 ))
(( segid "PAH2" and resid 67 and name HD2 ))
2.400 0.700 0.700 peak 1930 weight 0.10000E+01 volume 0.56812E-02 ppm1 1.827 ppm2 3.292 CV 1
OR { 1930}
(( segid "PAH2" and resid 67 and name HG3 ))
(( segid "PAH2" and resid 67 and name HD3 ))
ASSI { 1931}
(( segid "PAH2" and resid 67 and name HG3 ))
(( segid "PAH2" and resid 67 and name HA ))
2.900 1.100 1.100 peak 1931 weight 0.10000E+01 volume 0.15160E-02 ppm1 1.827 ppm2 4.132 CV 1
ASSI { 1934}
(( segid "PAH2" and resid 67 and name HD2 ))
(( segid "PAH2" and resid 67 and name HG3 ))
2.100 0.600 0.600 peak 1934 weight 0.10000E+01 volume 0.10742E-01 ppm1 3.275 ppm2 1.835 CV 1
OR { 1934}
(( segid "PAH2" and resid 67 and name HD3 ))
(( segid "PAH2" and resid 67 and name HG3 ))
OR { 1934}
(( segid "PAH2" and resid 67 and name HD2 ))
(( segid "PAH2" and resid 67 and name HB2 ))
ASSI { 1939}
(( segid "PAH2" and resid 68 and name HA2 ))
(( segid "PAH2" and resid 68 and name HA1 ))
1.800 0.400 0.400 peak 1939 weight 0.10000E+01 volume 0.24553E-01 ppm1 3.898 ppm2 4.343 CV 1
ASSI { 1945}
(( segid "PAH2" and resid 70 and name HA ))
(( segid "PAH2" and resid 73 and name HN ))
2.900 1.000 1.000 peak 1945 weight 0.10000E+01 volume 0.16453E-02 ppm1 3.938 ppm2 7.896 CV 1
ASSI { 1949}
(( segid "PAH2" and resid 70 and name HA ))
(( segid "PAH2" and resid 73 and name HB2 ))
2.400 0.700 0.700 peak 1949 weight 0.10000E+01 volume 0.55079E-02 ppm1 3.938 ppm2 1.859 CV 1
ASSI { 1950}
(( segid "PAH2" and resid 70 and name HA ))
(( segid "PAH2" and resid 70 and name HB3 ))
1.900 0.500 0.500 peak 1950 weight 0.10000E+01 volume 0.20013E-01 ppm1 3.938 ppm2 2.142 CV 1
OR { 1950}
(( segid "PAH2" and resid 70 and name HA ))
(( segid "PAH2" and resid 70 and name HB2 ))
ASSI { 1952}
(( segid "PAH2" and resid 70 and name HA ))
(( segid "PAH2" and resid 70 and name HG3 ))
2.600 0.800 0.800 peak 1952 weight 0.10000E+01 volume 0.30789E-02 ppm1 3.938 ppm2 2.560 CV 1
ASSI { 1953}
(( segid "PAH2" and resid 70 and name HB2 ))
(( segid "PAH2" and resid 70 and name HN ))
2.200 0.600 0.600 peak 1953 weight 0.10000E+01 volume 0.84185E-02 ppm1 2.140 ppm2 8.615 CV 1
ASSI { 1955}
(( segid "PAH2" and resid 70 and name HG2 ))
(( segid "PAH2" and resid 70 and name HA ))
2.300 0.600 0.600 peak 1955 weight 0.10000E+01 volume 0.72108E-02 ppm1 2.387 ppm2 3.937 CV 1
ASSI { 1957}
(( segid "PAH2" and resid 70 and name HG2 ))
(( segid "PAH2" and resid 70 and name HN ))
2.800 1.000 1.000 peak 1957 weight 0.10000E+01 volume 0.20922E-02 ppm1 2.387 ppm2 8.609 CV 1
ASSI { 1959}
(( segid "PAH2" and resid 70 and name HG3 ))
(( segid "PAH2" and resid 70 and name HB2 ))
2.000 0.500 0.500 peak 1959 weight 0.10000E+01 volume 0.13064E-01 ppm1 2.538 ppm2 2.142 CV 1
OR { 1959}
(( segid "PAH2" and resid 70 and name HG3 ))
(( segid "PAH2" and resid 70 and name HB3 ))
ASSI { 1961}
(( segid "PAH2" and resid 70 and name HG2 ))
(( segid "PAH2" and resid 70 and name HG3 ))
1.800 0.400 0.400 peak 1961 weight 0.10000E+01 volume 0.32423E-01 ppm1 2.387 ppm2 2.548 CV 1
ASSI { 1964}
(( segid "PAH2" and resid 70 and name HG3 ))
(( segid "PAH2" and resid 70 and name HN ))
3.000 1.100 1.100 peak 1964 weight 0.10000E+01 volume 0.13420E-02 ppm1 2.538 ppm2 8.610 CV 1
ASSI { 1968}
(( segid "PAH2" and resid 71 and name HB2 ))
(( segid "PAH2" and resid 71 and name HB3 ))
1.800 0.400 0.400 peak 1968 weight 0.10000E+01 volume 0.26406E-01 ppm1 2.688 ppm2 2.841 CV 1
ASSI { 1969}
(( segid "PAH2" and resid 71 and name HB2 ))
(( segid "PAH2" and resid 71 and name HA ))
2.300 0.600 0.600 peak 1969 weight 0.10000E+01 volume 0.70907E-02 ppm1 2.687 ppm2 4.429 CV 1
ASSI { 1973}
(( segid "PAH2" and resid 72 and name HA ))
( segid "PAH2" and resid 13 and name HE% )
2.500 0.800 0.800 peak 1973 weight 0.10000E+01 volume 0.38576E-02 ppm1 4.307 ppm2 6.839 CV 1
ASSI { 1977}
(( segid "PAH2" and resid 72 and name HA ))
( segid "PAH2" and resid 72 and name HD2%)
2.100 0.600 0.600 peak 1977 weight 0.10000E+01 volume 0.11061E-01 ppm1 4.307 ppm2 0.494 CV 1
ASSI { 1979}
(( segid "PAH2" and resid 72 and name HA ))
(( segid "PAH2" and resid 72 and name HB3 ))
2.600 0.900 0.900 peak 1979 weight 0.10000E+01 volume 0.30207E-02 ppm1 4.307 ppm2 1.047 CV 1
ASSI { 1980}
(( segid "PAH2" and resid 72 and name HB3 ))
(( segid "PAH2" and resid 72 and name HB2 ))
2.400 0.700 0.700 peak 1980 weight 0.10000E+01 volume 0.48635E-02 ppm1 1.017 ppm2 1.650 CV 1
ASSI { 1981}
(( segid "PAH2" and resid 72 and name HB3 ))
( segid "PAH2" and resid 72 and name HD2%)
3.200 1.300 1.300 peak 1981 weight 0.10000E+01 volume 0.89442E-03 ppm1 1.017 ppm2 0.494 CV 1
ASSI { 1986}
(( segid "PAH2" and resid 72 and name HB2 ))
( segid "PAH2" and resid 72 and name HD2%)
3.900 1.900 1.900 peak 1986 weight 0.10000E+01 volume 0.25782E-03 ppm1 1.659 ppm2 0.483 CV 1
ASSI { 1987}
(( segid "PAH2" and resid 72 and name HB2 ))
( segid "PAH2" and resid 72 and name HD1%)
3.000 1.100 1.100 peak 1987 weight 0.10000E+01 volume 0.13598E-02 ppm1 1.657 ppm2 0.170 CV 1
ASSI { 1989}
(( segid "PAH2" and resid 72 and name HG ))
( segid "PAH2" and resid 72 and name HD1%)
3.200 1.300 1.300 peak 1989 weight 0.10000E+01 volume 0.88448E-03 ppm1 1.560 ppm2 0.187 CV 1
ASSI { 1990}
(( segid "PAH2" and resid 72 and name HG ))
( segid "PAH2" and resid 72 and name HD2%)
3.500 1.600 1.600 peak 1990 weight 0.10000E+01 volume 0.50084E-03 ppm1 1.560 ppm2 0.494 CV 1
ASSI { 1992}
( segid "PAH2" and resid 72 and name HD2%)
( segid "PAH2" and resid 72 and name HD1%)
2.000 0.500 0.500 peak 1992 weight 0.10000E+01 volume 0.13875E-01 ppm1 0.493 ppm2 0.187 CV 1
ASSI { 1993}
( segid "PAH2" and resid 72 and name HD2%)
( segid "PAH2" and resid 17 and name HD1%)
2.800 1.000 1.000 peak 1993 weight 0.10000E+01 volume 0.20752E-02 ppm1 0.493 ppm2 0.017 CV 1
ASSI { 1995}
( segid "PAH2" and resid 72 and name HD2%)
(( segid "PAH2" and resid 16 and name HB3 ))
2.400 0.700 0.700 peak 1995 weight 0.10000E+01 volume 0.54575E-02 ppm1 0.493 ppm2 1.945 CV 1
ASSI { 1996}
( segid "PAH2" and resid 72 and name HD2%)
(( segid "PAH2" and resid 16 and name HE2 ))
2.800 1.000 1.000 peak 1996 weight 0.10000E+01 volume 0.19728E-02 ppm1 0.493 ppm2 2.855 CV 1
OR { 1996}
( segid "PAH2" and resid 72 and name HD2%)
(( segid "PAH2" and resid 16 and name HE3 ))
ASSI { 1997}
( segid "PAH2" and resid 72 and name HD2%)
(( segid "PAH2" and resid 17 and name HA ))
3.100 1.200 1.200 peak 1997 weight 0.10000E+01 volume 0.10038E-02 ppm1 0.493 ppm2 3.136 CV 1
ASSI { 1999}
( segid "PAH2" and resid 72 and name HD2%)
( segid "PAH2" and resid 13 and name HE% )
2.500 0.800 0.800 peak 1999 weight 0.10000E+01 volume 0.40501E-02 ppm1 0.493 ppm2 6.827 CV 1
ASSI { 2000}
( segid "PAH2" and resid 72 and name HD2%)
( segid "PAH2" and resid 13 and name HD% )
2.800 1.000 1.000 peak 2000 weight 0.10000E+01 volume 0.19046E-02 ppm1 0.494 ppm2 7.011 CV 1
ASSI { 2001}
( segid "PAH2" and resid 72 and name HD2%)
(( segid "PAH2" and resid 17 and name HN ))
3.400 1.400 1.400 peak 2001 weight 0.10000E+01 volume 0.64307E-03 ppm1 0.493 ppm2 7.675 CV 1
ASSI { 2002}
( segid "PAH2" and resid 72 and name HD2%)
(( segid "PAH2" and resid 72 and name HN ))
2.800 0.900 0.900 peak 2002 weight 0.10000E+01 volume 0.22165E-02 ppm1 0.493 ppm2 7.798 CV 1
ASSI { 2006}
( segid "PAH2" and resid 72 and name HD1%)
(( segid "PAH2" and resid 72 and name HB3 ))
2.300 0.700 0.700 peak 2006 weight 0.10000E+01 volume 0.59356E-02 ppm1 0.182 ppm2 1.047 CV 1
ASSI { 2007}
( segid "PAH2" and resid 72 and name HD1%)
(( segid "PAH2" and resid 72 and name HG ))
2.100 0.500 0.500 peak 2007 weight 0.10000E+01 volume 0.11643E-01 ppm1 0.182 ppm2 1.601 CV 1
OR { 2007}
( segid "PAH2" and resid 72 and name HD1%)
(( segid "PAH2" and resid 72 and name HB2 ))
ASSI { 2008}
( segid "PAH2" and resid 72 and name HD1%)
(( segid "PAH2" and resid 69 and name HB2 ))
2.500 0.800 0.800 peak 2008 weight 0.10000E+01 volume 0.36786E-02 ppm1 0.182 ppm2 1.859 CV 1
OR { 2008}
( segid "PAH2" and resid 72 and name HD1%)
(( segid "PAH2" and resid 69 and name HB3 ))
ASSI { 2010}
( segid "PAH2" and resid 72 and name HD1%)
(( segid "PAH2" and resid 72 and name HA ))
3.500 1.500 1.500 peak 2010 weight 0.10000E+01 volume 0.55633E-03 ppm1 0.185 ppm2 4.300 CV 1
ASSI { 2012}
( segid "PAH2" and resid 72 and name HD1%)
( segid "PAH2" and resid 66 and name HD% )
3.300 1.400 1.400 peak 2012 weight 0.10000E+01 volume 0.73173E-03 ppm1 0.182 ppm2 6.616 CV 1
ASSI { 2013}
( segid "PAH2" and resid 72 and name HD1%)
( segid "PAH2" and resid 21 and name HE% )
2.400 0.700 0.700 peak 2013 weight 0.10000E+01 volume 0.46760E-02 ppm1 0.182 ppm2 6.851 CV 1
ASSI { 2015}
( segid "PAH2" and resid 72 and name HD1%)
( segid "PAH2" and resid 21 and name HD% )
3.300 1.400 1.400 peak 2015 weight 0.10000E+01 volume 0.68158E-03 ppm1 0.182 ppm2 7.282 CV 1
ASSI { 2016}
( segid "PAH2" and resid 72 and name HD1%)
(( segid "PAH2" and resid 72 and name HN ))
2.900 1.000 1.000 peak 2016 weight 0.10000E+01 volume 0.17035E-02 ppm1 0.182 ppm2 7.798 CV 1
ASSI { 2018}
( segid "PAH2" and resid 72 and name HD2%)
( segid "PAH2" and resid 66 and name HD% )
3.500 1.500 1.500 peak 2018 weight 0.10000E+01 volume 0.53565E-03 ppm1 0.494 ppm2 6.616 CV 1
ASSI { 2019}
( segid "PAH2" and resid 72 and name HD2%)
( segid "PAH2" and resid 21 and name HD% )
3.800 1.800 1.800 peak 2019 weight 0.10000E+01 volume 0.29951E-03 ppm1 0.493 ppm2 7.282 CV 1
ASSI { 2020}
(( segid "PAH2" and resid 73 and name HA ))
( segid "PAH2" and resid 66 and name HD% )
3.000 1.200 1.200 peak 2020 weight 0.10000E+01 volume 0.12326E-02 ppm1 4.397 ppm2 6.618 CV 1
ASSI { 2021}
(( segid "PAH2" and resid 73 and name HA ))
(( segid "PAH2" and resid 73 and name HN ))
2.600 0.900 0.900 peak 2021 weight 0.10000E+01 volume 0.30307E-02 ppm1 4.397 ppm2 7.921 CV 1
ASSI { 2022}
(( segid "PAH2" and resid 73 and name HA ))
(( segid "PAH2" and resid 73 and name HB3 ))
2.500 0.800 0.800 peak 2022 weight 0.10000E+01 volume 0.35457E-02 ppm1 4.397 ppm2 2.068 CV 1
ASSI { 2023}
(( segid "PAH2" and resid 73 and name HA ))
(( segid "PAH2" and resid 73 and name HB2 ))
2.300 0.700 0.700 peak 2023 weight 0.10000E+01 volume 0.59391E-02 ppm1 4.397 ppm2 1.859 CV 1
OR { 2023}
(( segid "PAH2" and resid 73 and name HA ))
(( segid "PAH2" and resid 73 and name HG ))
ASSI { 2024}
(( segid "PAH2" and resid 73 and name HA ))
( segid "PAH2" and resid 73 and name HD1%)
2.100 0.600 0.600 peak 2024 weight 0.10000E+01 volume 0.11146E-01 ppm1 4.398 ppm2 0.844 CV 1
OR { 2024}
(( segid "PAH2" and resid 73 and name HA ))
( segid "PAH2" and resid 73 and name HD2%)
ASSI { 2025}
(( segid "PAH2" and resid 73 and name HB3 ))
(( segid "PAH2" and resid 73 and name HB2 ))
1.900 0.500 0.500 peak 2025 weight 0.10000E+01 volume 0.18137E-01 ppm1 2.054 ppm2 1.846 CV 1
ASSI { 2030}
(( segid "PAH2" and resid 73 and name HG ))
( segid "PAH2" and resid 73 and name HD1%)
2.100 0.600 0.600 peak 2030 weight 0.10000E+01 volume 0.10528E-01 ppm1 1.867 ppm2 0.863 CV 1
OR { 2030}
(( segid "PAH2" and resid 73 and name HG ))
( segid "PAH2" and resid 73 and name HD2%)
ASSI { 2031}
(( segid "PAH2" and resid 73 and name HG ))
(( segid "PAH2" and resid 73 and name HN ))
3.200 1.300 1.300 peak 2031 weight 0.10000E+01 volume 0.82551E-03 ppm1 1.866 ppm2 7.918 CV 1
ASSI { 2032}
(( segid "PAH2" and resid 73 and name HG ))
(( segid "PAH2" and resid 73 and name HA ))
3.200 1.200 1.200 peak 2032 weight 0.10000E+01 volume 0.96404E-03 ppm1 1.865 ppm2 4.381 CV 1
ASSI { 2033}
( segid "PAH2" and resid 73 and name HD1%)
( segid "PAH2" and resid 62 and name HG1%)
2.600 0.800 0.800 peak 2033 weight 0.10000E+01 volume 0.31266E-02 ppm1 0.804 ppm2 -0.219 CV 1
ASSI { 2034}
( segid "PAH2" and resid 73 and name HD1%)
(( segid "PAH2" and resid 73 and name HG ))
2.000 0.500 0.500 peak 2034 weight 0.10000E+01 volume 0.13405E-01 ppm1 0.805 ppm2 1.853 CV 1
ASSI { 2035}
( segid "PAH2" and resid 73 and name HD1%)
(( segid "PAH2" and resid 73 and name HB3 ))
2.300 0.700 0.700 peak 2035 weight 0.10000E+01 volume 0.60144E-02 ppm1 0.804 ppm2 2.067 CV 1
ASSI { 2036}
( segid "PAH2" and resid 73 and name HD1%)
(( segid "PAH2" and resid 73 and name HA ))
2.500 0.800 0.800 peak 2036 weight 0.10000E+01 volume 0.44089E-02 ppm1 0.804 ppm2 4.393 CV 1
ASSI { 2037}
( segid "PAH2" and resid 73 and name HD1%)
( segid "PAH2" and resid 66 and name HD% )
2.900 1.100 1.100 peak 2037 weight 0.10000E+01 volume 0.14685E-02 ppm1 0.805 ppm2 6.597 CV 1
ASSI { 2038}
( segid "PAH2" and resid 73 and name HD1%)
( segid "PAH2" and resid 76 and name HD% )
2.500 0.800 0.800 peak 2038 weight 0.10000E+01 volume 0.39080E-02 ppm1 0.804 ppm2 7.370 CV 1
ASSI { 2039}
( segid "PAH2" and resid 73 and name HD1%)
(( segid "PAH2" and resid 73 and name HN ))
3.500 1.500 1.500 peak 2039 weight 0.10000E+01 volume 0.54617E-03 ppm1 0.805 ppm2 7.913 CV 1
ASSI { 2040}
( segid "PAH2" and resid 73 and name HD2%)
( segid "PAH2" and resid 62 and name HG1%)
2.800 1.000 1.000 peak 2040 weight 0.10000E+01 volume 0.20837E-02 ppm1 0.901 ppm2 -0.212 CV 1
ASSI { 2041}
( segid "PAH2" and resid 73 and name HD2%)
(( segid "PAH2" and resid 73 and name HB3 ))
2.400 0.700 0.700 peak 2041 weight 0.10000E+01 volume 0.52052E-02 ppm1 0.901 ppm2 2.067 CV 1
ASSI { 2042}
( segid "PAH2" and resid 73 and name HD2%)
(( segid "PAH2" and resid 73 and name HA ))
2.500 0.800 0.800 peak 2042 weight 0.10000E+01 volume 0.36104E-02 ppm1 0.901 ppm2 4.393 CV 1
ASSI { 2043}
( segid "PAH2" and resid 73 and name HD1%)
(( segid "PAH2" and resid 63 and name HA ))
2.200 0.600 0.600 peak 2043 weight 0.10000E+01 volume 0.84895E-02 ppm1 0.805 ppm2 3.754 CV 1
ASSI { 2044}
( segid "PAH2" and resid 73 and name HD2%)
( segid "PAH2" and resid 66 and name HD% )
2.600 0.800 0.800 peak 2044 weight 0.10000E+01 volume 0.32715E-02 ppm1 0.901 ppm2 6.610 CV 1
ASSI { 2047}
( segid "PAH2" and resid 73 and name HD2%)
(( segid "PAH2" and resid 74 and name HN ))
3.800 1.900 1.900 peak 2047 weight 0.10000E+01 volume 0.29547E-03 ppm1 0.902 ppm2 8.292 CV 1
ASSI { 2048}
(( segid "PAH2" and resid 74 and name HA ))
(( segid "PAH2" and resid 74 and name HN ))
2.500 0.800 0.800 peak 2048 weight 0.10000E+01 volume 0.37197E-02 ppm1 4.319 ppm2 8.336 CV 1
ASSI { 2050}
(( segid "PAH2" and resid 74 and name HA ))
(( segid "PAH2" and resid 74 and name HB2 ))
2.000 0.500 0.500 peak 2050 weight 0.10000E+01 volume 0.14031E-01 ppm1 4.319 ppm2 4.075 CV 1
OR { 2050}
(( segid "PAH2" and resid 74 and name HA ))
(( segid "PAH2" and resid 74 and name HB3 ))
ASSI { 2051}
(( segid "PAH2" and resid 75 and name HA ))
(( segid "PAH2" and resid 75 and name HN ))
2.700 0.900 0.900 peak 2051 weight 0.10000E+01 volume 0.22868E-02 ppm1 4.068 ppm2 7.932 CV 1
ASSI { 2052}
(( segid "PAH2" and resid 75 and name HA ))
(( segid "PAH2" and resid 75 and name HG3 ))
2.500 0.800 0.800 peak 2052 weight 0.10000E+01 volume 0.34996E-02 ppm1 4.068 ppm2 2.334 CV 1
ASSI { 2055}
(( segid "PAH2" and resid 75 and name HA ))
(( segid "PAH2" and resid 78 and name HG2 ))
2.700 0.900 0.900 peak 2055 weight 0.10000E+01 volume 0.26406E-02 ppm1 4.068 ppm2 1.607 CV 1
ASSI { 2056}
(( segid "PAH2" and resid 75 and name HB3 ))
(( segid "PAH2" and resid 75 and name HA ))
2.500 0.800 0.800 peak 2056 weight 0.10000E+01 volume 0.42576E-02 ppm1 1.910 ppm2 4.078 CV 1
ASSI { 2059}
(( segid "PAH2" and resid 75 and name HB3 ))
(( segid "PAH2" and resid 75 and name HN ))
3.000 1.100 1.100 peak 2059 weight 0.10000E+01 volume 0.14414E-02 ppm1 1.910 ppm2 7.932 CV 1
ASSI { 2060}
(( segid "PAH2" and resid 75 and name HB2 ))
(( segid "PAH2" and resid 75 and name HA ))
2.600 0.800 0.800 peak 2060 weight 0.10000E+01 volume 0.31244E-02 ppm1 2.070 ppm2 4.078 CV 1
ASSI { 2063}
(( segid "PAH2" and resid 75 and name HG2 ))
(( segid "PAH2" and resid 75 and name HG3 ))
1.900 0.500 0.500 peak 2063 weight 0.10000E+01 volume 0.19821E-01 ppm1 2.031 ppm2 2.382 CV 1
ASSI { 2064}
(( segid "PAH2" and resid 75 and name HG2 ))
(( segid "PAH2" and resid 75 and name HA ))
2.600 0.900 0.900 peak 2064 weight 0.10000E+01 volume 0.28367E-02 ppm1 2.031 ppm2 4.078 CV 1
ASSI { 2068}
(( segid "PAH2" and resid 75 and name HG3 ))
(( segid "PAH2" and resid 75 and name HN ))
2.200 0.600 0.600 peak 2068 weight 0.10000E+01 volume 0.86601E-02 ppm1 2.361 ppm2 7.932 CV 1
ASSI { 2069}
(( segid "PAH2" and resid 76 and name HA ))
(( segid "PAH2" and resid 76 and name HB2 ))
2.500 0.800 0.800 peak 2069 weight 0.10000E+01 volume 0.37197E-02 ppm1 4.355 ppm2 4.115 CV 1
ASSI { 2070}
(( segid "PAH2" and resid 76 and name HA ))
(( segid "PAH2" and resid 76 and name HB3 ))
2.900 1.000 1.000 peak 2070 weight 0.10000E+01 volume 0.17029E-02 ppm1 4.355 ppm2 3.309 CV 1
ASSI { 2073}
(( segid "PAH2" and resid 76 and name HA ))
( segid "PAH2" and resid 76 and name HD% )
2.400 0.700 0.700 peak 2073 weight 0.10000E+01 volume 0.55647E-02 ppm1 4.356 ppm2 7.368 CV 1
ASSI { 2075}
(( segid "PAH2" and resid 76 and name HB3 ))
(( segid "PAH2" and resid 76 and name HB2 ))
2.300 0.600 0.600 peak 2075 weight 0.10000E+01 volume 0.69408E-02 ppm1 3.305 ppm2 4.115 CV 1
ASSI { 2084}
(( segid "PAH2" and resid 77 and name HA2 ))
(( segid "PAH2" and resid 77 and name HA1 ))
2.100 0.500 0.500 peak 2084 weight 0.10000E+01 volume 0.11353E-01 ppm1 3.491 ppm2 3.871 CV 1
ASSI { 2085}
(( segid "PAH2" and resid 77 and name HA2 ))
(( segid "PAH2" and resid 78 and name HN ))
3.700 1.800 1.800 peak 2085 weight 0.10000E+01 volume 0.34732E-03 ppm1 3.491 ppm2 7.310 CV 1
ASSI { 2091}
(( segid "PAH2" and resid 78 and name HA ))
(( segid "PAH2" and resid 78 and name HG3 ))
2.600 0.900 0.900 peak 2091 weight 0.10000E+01 volume 0.29255E-02 ppm1 3.867 ppm2 1.992 CV 1
ASSI { 2092}
(( segid "PAH2" and resid 78 and name HA ))
(( segid "PAH2" and resid 78 and name HB3 ))
2.000 0.500 0.500 peak 2092 weight 0.10000E+01 volume 0.17284E-01 ppm1 3.866 ppm2 1.600 CV 1
OR { 2092}
(( segid "PAH2" and resid 78 and name HA ))
(( segid "PAH2" and resid 78 and name HB2 ))
ASSI { 2093}
(( segid "PAH2" and resid 78 and name HA ))
(( segid "PAH2" and resid 78 and name HN ))
2.500 0.800 0.800 peak 2093 weight 0.10000E+01 volume 0.38519E-02 ppm1 3.867 ppm2 7.310 CV 1
ASSI { 2095}
(( segid "PAH2" and resid 78 and name HB3 ))
(( segid "PAH2" and resid 78 and name HG3 ))
2.500 0.800 0.800 peak 2095 weight 0.10000E+01 volume 0.37340E-02 ppm1 1.543 ppm2 1.980 CV 1
ASSI { 2096}
(( segid "PAH2" and resid 78 and name HB3 ))
(( segid "PAH2" and resid 78 and name HA ))
2.600 0.800 0.800 peak 2096 weight 0.10000E+01 volume 0.31194E-02 ppm1 1.543 ppm2 3.871 CV 1
ASSI { 2097}
(( segid "PAH2" and resid 78 and name HB3 ))
(( segid "PAH2" and resid 78 and name HN ))
2.800 1.000 1.000 peak 2097 weight 0.10000E+01 volume 0.19572E-02 ppm1 1.544 ppm2 7.300 CV 1
ASSI { 2098}
(( segid "PAH2" and resid 78 and name HB2 ))
(( segid "PAH2" and resid 78 and name HG3 ))
2.400 0.700 0.700 peak 2098 weight 0.10000E+01 volume 0.47371E-02 ppm1 1.633 ppm2 1.980 CV 1
ASSI { 2099}
(( segid "PAH2" and resid 78 and name HB2 ))
(( segid "PAH2" and resid 78 and name HA ))
2.700 0.900 0.900 peak 2099 weight 0.10000E+01 volume 0.26413E-02 ppm1 1.633 ppm2 3.871 CV 1
ASSI { 2100}
(( segid "PAH2" and resid 78 and name HB2 ))
(( segid "PAH2" and resid 78 and name HN ))
2.800 1.000 1.000 peak 2100 weight 0.10000E+01 volume 0.18464E-02 ppm1 1.633 ppm2 7.300 CV 1
ASSI { 2101}
(( segid "PAH2" and resid 78 and name HG2 ))
(( segid "PAH2" and resid 78 and name HG3 ))
1.900 0.400 0.400 peak 2101 weight 0.10000E+01 volume 0.20609E-01 ppm1 1.590 ppm2 2.004 CV 1
ASSI { 2102}
(( segid "PAH2" and resid 78 and name HG2 ))
(( segid "PAH2" and resid 78 and name HA ))
3.100 1.200 1.200 peak 2102 weight 0.10000E+01 volume 0.10805E-02 ppm1 1.590 ppm2 3.871 CV 1
ASSI { 2103}
(( segid "PAH2" and resid 78 and name HG2 ))
(( segid "PAH2" and resid 78 and name HN ))
3.000 1.100 1.100 peak 2103 weight 0.10000E+01 volume 0.13449E-02 ppm1 1.590 ppm2 7.298 CV 1
ASSI { 2104}
(( segid "PAH2" and resid 78 and name HG2 ))
(( segid "PAH2" and resid 78 and name HE21))
3.500 1.600 1.600 peak 2104 weight 0.10000E+01 volume 0.48650E-03 ppm1 1.590 ppm2 7.457 CV 1
ASSI { 2107}
(( segid "PAH2" and resid 78 and name HG3 ))
(( segid "PAH2" and resid 75 and name HA ))
3.600 1.600 1.600 peak 2107 weight 0.10000E+01 volume 0.47058E-03 ppm1 1.982 ppm2 4.078 CV 1
ASSI { 2112}
(( segid "PAH2" and resid 79 and name HA ))
(( segid "PAH2" and resid 79 and name HB3 ))
2.600 0.800 0.800 peak 2112 weight 0.10000E+01 volume 0.31877E-02 ppm1 4.173 ppm2 2.980 CV 1
ASSI { 2113}
(( segid "PAH2" and resid 79 and name HA ))
(( segid "PAH2" and resid 79 and name HB2 ))
2.500 0.800 0.800 peak 2113 weight 0.10000E+01 volume 0.36956E-02 ppm1 4.173 ppm2 2.457 CV 1
ASSI { 2115}
(( segid "PAH2" and resid 79 and name HA ))
(( segid "PAH2" and resid 80 and name HN ))
2.800 1.000 1.000 peak 2115 weight 0.10000E+01 volume 0.18144E-02 ppm1 4.173 ppm2 6.896 CV 1
ASSI { 2116}
(( segid "PAH2" and resid 79 and name HA ))
( segid "PAH2" and resid 79 and name HD% )
2.500 0.800 0.800 peak 2116 weight 0.10000E+01 volume 0.42156E-02 ppm1 4.174 ppm2 7.157 CV 1
ASSI { 2117}
(( segid "PAH2" and resid 79 and name HA ))
(( segid "PAH2" and resid 79 and name HN ))
2.800 0.900 0.900 peak 2117 weight 0.10000E+01 volume 0.21952E-02 ppm1 4.174 ppm2 7.640 CV 1
ASSI { 2119}
(( segid "PAH2" and resid 79 and name HB2 ))
(( segid "PAH2" and resid 79 and name HB3 ))
2.400 0.700 0.700 peak 2119 weight 0.10000E+01 volume 0.56705E-02 ppm1 2.457 ppm2 2.980 CV 1
ASSI { 2122}
(( segid "PAH2" and resid 79 and name HB2 ))
( segid "PAH2" and resid 79 and name HD% )
2.900 1.100 1.100 peak 2122 weight 0.10000E+01 volume 0.15999E-02 ppm1 2.457 ppm2 7.157 CV 1
ASSI { 2126}
(( segid "PAH2" and resid 79 and name HB3 ))
(( segid "PAH2" and resid 80 and name HN ))
3.700 1.700 1.700 peak 2126 weight 0.10000E+01 volume 0.35102E-03 ppm1 2.973 ppm2 6.896 CV 1
ASSI { 2129}
(( segid "PAH2" and resid 80 and name HA ))
(( segid "PAH2" and resid 80 and name HN ))
2.800 1.000 1.000 peak 2129 weight 0.10000E+01 volume 0.19437E-02 ppm1 4.656 ppm2 6.883 CV 1
ASSI { 2130}
(( segid "PAH2" and resid 80 and name HA ))
(( segid "PAH2" and resid 81 and name HD2 ))
2.100 0.500 0.500 peak 2130 weight 0.10000E+01 volume 0.11374E-01 ppm1 4.656 ppm2 3.713 CV 1
OR { 2130}
(( segid "PAH2" and resid 80 and name HA ))
(( segid "PAH2" and resid 81 and name HD3 ))
ASSI { 2131}
(( segid "PAH2" and resid 80 and name HA ))
(( segid "PAH2" and resid 80 and name HB3 ))
2.400 0.700 0.700 peak 2131 weight 0.10000E+01 volume 0.56528E-02 ppm1 4.656 ppm2 1.436 CV 1
OR { 2131}
(( segid "PAH2" and resid 80 and name HA ))
(( segid "PAH2" and resid 80 and name HB2 ))
ASSI { 2132}
(( segid "PAH2" and resid 80 and name HA ))
( segid "PAH2" and resid 80 and name HD2%)
2.200 0.600 0.600 peak 2132 weight 0.10000E+01 volume 0.83120E-02 ppm1 4.657 ppm2 0.672 CV 1
ASSI { 2135}
(( segid "PAH2" and resid 80 and name HG ))
(( segid "PAH2" and resid 80 and name HB2 ))
2.200 0.600 0.600 peak 2135 weight 0.10000E+01 volume 0.80135E-02 ppm1 1.270 ppm2 1.436 CV 1
OR { 2135}
(( segid "PAH2" and resid 80 and name HG ))
(( segid "PAH2" and resid 80 and name HB3 ))
ASSI { 2136}
(( segid "PAH2" and resid 80 and name HG ))
( segid "PAH2" and resid 80 and name HD1%)
2.000 0.500 0.500 peak 2136 weight 0.10000E+01 volume 0.16567E-01 ppm1 1.270 ppm2 0.685 CV 1
OR { 2136}
(( segid "PAH2" and resid 80 and name HG ))
( segid "PAH2" and resid 80 and name HD2%)
ASSI { 2137}
( segid "PAH2" and resid 80 and name HD2%)
(( segid "PAH2" and resid 80 and name HG ))
2.200 0.600 0.600 peak 2137 weight 0.10000E+01 volume 0.86245E-02 ppm1 0.675 ppm2 1.285 CV 1
ASSI { 2138}
( segid "PAH2" and resid 80 and name HD2%)
(( segid "PAH2" and resid 80 and name HB3 ))
2.400 0.700 0.700 peak 2138 weight 0.10000E+01 volume 0.54603E-02 ppm1 0.675 ppm2 1.436 CV 1
ASSI { 2139}
( segid "PAH2" and resid 80 and name HD2%)
(( segid "MAD1" and resid 202 and name HG13))
2.800 0.900 0.900 peak 2139 weight 0.10000E+01 volume 0.21937E-02 ppm1 0.675 ppm2 1.626 CV 1
ASSI { 2140}
( segid "PAH2" and resid 80 and name HD2%)
(( segid "PAH2" and resid 55 and name HB3 ))
2.500 0.800 0.800 peak 2140 weight 0.10000E+01 volume 0.36481E-02 ppm1 0.675 ppm2 1.980 CV 1
ASSI { 2142}
( segid "PAH2" and resid 80 and name HD2%)
(( segid "PAH2" and resid 55 and name HG2 ))
2.500 0.800 0.800 peak 2142 weight 0.10000E+01 volume 0.39108E-02 ppm1 0.675 ppm2 2.382 CV 1
OR { 2142}
( segid "PAH2" and resid 80 and name HD2%)
(( segid "PAH2" and resid 55 and name HG3 ))
ASSI { 2143}
( segid "PAH2" and resid 80 and name HD2%)
(( segid "PAH2" and resid 59 and name HB2 ))
3.400 1.500 1.500 peak 2143 weight 0.10000E+01 volume 0.58859E-03 ppm1 0.675 ppm2 3.065 CV 1
ASSI { 2144}
( segid "PAH2" and resid 80 and name HD2%)
(( segid "PAH2" and resid 59 and name HB3 ))
3.800 1.800 1.800 peak 2144 weight 0.10000E+01 volume 0.29717E-03 ppm1 0.675 ppm2 3.309 CV 1
ASSI { 2145}
( segid "PAH2" and resid 80 and name HD2%)
(( segid "PAH2" and resid 81 and name HD2 ))
2.500 0.800 0.800 peak 2145 weight 0.10000E+01 volume 0.41758E-02 ppm1 0.675 ppm2 3.713 CV 1
OR { 2145}
( segid "PAH2" and resid 80 and name HD2%)
(( segid "PAH2" and resid 81 and name HD3 ))
ASSI { 2146}
( segid "PAH2" and resid 80 and name HD2%)
(( segid "PAH2" and resid 55 and name HA ))
2.700 0.900 0.900 peak 2146 weight 0.10000E+01 volume 0.25291E-02 ppm1 0.675 ppm2 3.846 CV 1
ASSI { 2148}
( segid "PAH2" and resid 80 and name HD2%)
(( segid "PAH2" and resid 80 and name HN ))
2.600 0.800 0.800 peak 2148 weight 0.10000E+01 volume 0.34868E-02 ppm1 0.676 ppm2 6.856 CV 1
ASSI { 2149}
( segid "PAH2" and resid 80 and name HD2%)
( segid "PAH2" and resid 76 and name HE% )
2.400 0.700 0.700 peak 2149 weight 0.10000E+01 volume 0.45076E-02 ppm1 0.675 ppm2 7.115 CV 1
ASSI { 2150}
( segid "PAH2" and resid 80 and name HD2%)
( segid "PAH2" and resid 76 and name HD% )
2.900 1.100 1.100 peak 2150 weight 0.10000E+01 volume 0.16155E-02 ppm1 0.675 ppm2 7.371 CV 1
ASSI { 2152}
( segid "PAH2" and resid 80 and name HD1%)
(( segid "PAH2" and resid 80 and name HG ))
2.000 0.500 0.500 peak 2152 weight 0.10000E+01 volume 0.13235E-01 ppm1 0.688 ppm2 1.285 CV 1
ASSI { 2153}
( segid "PAH2" and resid 80 and name HD1%)
(( segid "PAH2" and resid 80 and name HB2 ))
2.100 0.500 0.500 peak 2153 weight 0.10000E+01 volume 0.11700E-01 ppm1 0.688 ppm2 1.436 CV 1
OR { 2153}
( segid "PAH2" and resid 80 and name HD1%)
(( segid "PAH2" and resid 80 and name HB3 ))
ASSI { 2155}
( segid "PAH2" and resid 80 and name HD1%)
(( segid "PAH2" and resid 77 and name HA2 ))
3.500 1.600 1.600 peak 2155 weight 0.10000E+01 volume 0.48721E-03 ppm1 0.688 ppm2 3.492 CV 1
ASSI { 2156}
( segid "PAH2" and resid 80 and name HD1%)
(( segid "PAH2" and resid 81 and name HD2 ))
3.800 1.800 1.800 peak 2156 weight 0.10000E+01 volume 0.30505E-03 ppm1 0.688 ppm2 3.713 CV 1
OR { 2156}
( segid "PAH2" and resid 80 and name HD1%)
(( segid "PAH2" and resid 81 and name HD3 ))
ASSI { 2158}
( segid "PAH2" and resid 80 and name HD1%)
(( segid "PAH2" and resid 80 and name HA ))
3.600 1.600 1.600 peak 2158 weight 0.10000E+01 volume 0.47704E-03 ppm1 0.688 ppm2 4.656 CV 1
ASSI { 2159}
( segid "PAH2" and resid 80 and name HD1%)
(( segid "PAH2" and resid 80 and name HN ))
3.100 1.200 1.200 peak 2159 weight 0.10000E+01 volume 0.11687E-02 ppm1 0.688 ppm2 6.859 CV 1
ASSI { 2160}
( segid "PAH2" and resid 80 and name HD1%)
( segid "PAH2" and resid 76 and name HE% )
2.400 0.700 0.700 peak 2160 weight 0.10000E+01 volume 0.45140E-02 ppm1 0.688 ppm2 7.140 CV 1
ASSI { 2161}
( segid "PAH2" and resid 80 and name HD1%)
( segid "PAH2" and resid 76 and name HD% )
2.800 1.000 1.000 peak 2161 weight 0.10000E+01 volume 0.20482E-02 ppm1 0.688 ppm2 7.359 CV 1
ASSI { 2162}
(( segid "PAH2" and resid 81 and name HA ))
(( segid "PAH2" and resid 82 and name HN ))
2.200 0.600 0.600 peak 2162 weight 0.10000E+01 volume 0.76015E-02 ppm1 4.345 ppm2 9.159 CV 1
ASSI { 2165}
(( segid "PAH2" and resid 81 and name HA ))
(( segid "PAH2" and resid 81 and name HB3 ))
2.200 0.600 0.600 peak 2165 weight 0.10000E+01 volume 0.77791E-02 ppm1 4.345 ppm2 1.931 CV 1
ASSI { 2167}
(( segid "PAH2" and resid 81 and name HA ))
(( segid "PAH2" and resid 81 and name HB2 ))
2.200 0.600 0.600 peak 2167 weight 0.10000E+01 volume 0.96191E-02 ppm1 4.345 ppm2 2.392 CV 1
ASSI { 2168}
(( segid "PAH2" and resid 81 and name HA ))
(( segid "PAH2" and resid 81 and name HD3 ))
2.900 1.100 1.100 peak 2168 weight 0.10000E+01 volume 0.15494E-02 ppm1 4.345 ppm2 3.713 CV 1
OR { 2168}
(( segid "PAH2" and resid 81 and name HA ))
(( segid "PAH2" and resid 81 and name HD2 ))
ASSI { 2169}
(( segid "PAH2" and resid 81 and name HB3 ))
(( segid "PAH2" and resid 81 and name HB2 ))
1.900 0.500 0.500 peak 2169 weight 0.10000E+01 volume 0.20190E-01 ppm1 1.932 ppm2 2.392 CV 1
ASSI { 2174}
(( segid "PAH2" and resid 81 and name HB3 ))
(( segid "PAH2" and resid 81 and name HG3 ))
1.900 0.500 0.500 peak 2174 weight 0.10000E+01 volume 0.19011E-01 ppm1 1.932 ppm2 2.137 CV 1
OR { 2174}
(( segid "PAH2" and resid 81 and name HB3 ))
(( segid "PAH2" and resid 81 and name HG2 ))
ASSI { 2175}
(( segid "PAH2" and resid 81 and name HB2 ))
(( segid "PAH2" and resid 81 and name HD3 ))
3.000 1.100 1.100 peak 2175 weight 0.10000E+01 volume 0.14528E-02 ppm1 2.378 ppm2 3.713 CV 1
ASSI { 2177}
(( segid "PAH2" and resid 81 and name HB2 ))
(( segid "PAH2" and resid 82 and name HN ))
3.900 1.900 1.900 peak 2177 weight 0.10000E+01 volume 0.25846E-03 ppm1 2.378 ppm2 9.147 CV 1
ASSI { 2179}
(( segid "PAH2" and resid 81 and name HG2 ))
(( segid "PAH2" and resid 81 and name HB2 ))
2.000 0.500 0.500 peak 2179 weight 0.10000E+01 volume 0.13534E-01 ppm1 2.138 ppm2 2.380 CV 1
ASSI { 2180}
(( segid "PAH2" and resid 81 and name HG2 ))
(( segid "PAH2" and resid 81 and name HD2 ))
2.100 0.500 0.500 peak 2180 weight 0.10000E+01 volume 0.12184E-01 ppm1 2.138 ppm2 3.713 CV 1
OR { 2180}
(( segid "PAH2" and resid 81 and name HG3 ))
(( segid "PAH2" and resid 81 and name HD2 ))
OR { 2180}
(( segid "PAH2" and resid 81 and name HG2 ))
(( segid "PAH2" and resid 81 and name HD3 ))
ASSI { 2181}
(( segid "PAH2" and resid 81 and name HG2 ))
(( segid "PAH2" and resid 81 and name HA ))
2.700 0.900 0.900 peak 2181 weight 0.10000E+01 volume 0.24005E-02 ppm1 2.138 ppm2 4.348 CV 1
OR { 2181}
(( segid "PAH2" and resid 81 and name HG3 ))
(( segid "PAH2" and resid 81 and name HA ))
ASSI { 2182}
(( segid "PAH2" and resid 81 and name HG2 ))
(( segid "PAH2" and resid 82 and name HN ))
4.000 2.000 2.000 peak 2182 weight 0.10000E+01 volume 0.25163E-03 ppm1 2.138 ppm2 9.147 CV 1
OR { 2182}
(( segid "PAH2" and resid 81 and name HG3 ))
(( segid "PAH2" and resid 82 and name HN ))
ASSI { 2185}
(( segid "PAH2" and resid 81 and name HD3 ))
(( segid "PAH2" and resid 81 and name HB3 ))
2.400 0.700 0.700 peak 2185 weight 0.10000E+01 volume 0.50383E-02 ppm1 3.713 ppm2 1.943 CV 1
OR { 2185}
(( segid "PAH2" and resid 81 and name HD2 ))
(( segid "PAH2" and resid 81 and name HB3 ))
ASSI { 2186}
(( segid "PAH2" and resid 81 and name HD2 ))
(( segid "PAH2" and resid 80 and name HB3 ))
2.500 0.800 0.800 peak 2186 weight 0.10000E+01 volume 0.36302E-02 ppm1 3.713 ppm2 1.436 CV 1
ASSI { 2188}
(( segid "PAH2" and resid 82 and name HA ))
(( segid "PAH2" and resid 82 and name HB2 ))
2.200 0.600 0.600 peak 2188 weight 0.10000E+01 volume 0.93420E-02 ppm1 4.023 ppm2 1.979 CV 1
OR { 2188}
(( segid "PAH2" and resid 82 and name HA ))
(( segid "PAH2" and resid 82 and name HB3 ))
ASSI { 2192}
(( segid "PAH2" and resid 82 and name HB2 ))
(( segid "PAH2" and resid 82 and name HN ))
2.700 0.900 0.900 peak 2192 weight 0.10000E+01 volume 0.24907E-02 ppm1 1.984 ppm2 9.153 CV 1
ASSI { 2194}
(( segid "PAH2" and resid 82 and name HB3 ))
(( segid "PAH2" and resid 82 and name HN ))
2.600 0.900 0.900 peak 2194 weight 0.10000E+01 volume 0.29447E-02 ppm1 2.034 ppm2 9.164 CV 1
ASSI { 2302}
(( segid "PAH2" and resid 5 and name HA ))
(( segid "PAH2" and resid 8 and name HB3 ))
2.500 0.800 0.800 peak 2302 weight 0.10000E+01 volume 0.39883E-02 ppm1 3.855 ppm2 2.935 CV 1
ASSI { 2303}
(( segid "PAH2" and resid 8 and name HB2 ))
(( segid "PAH2" and resid 5 and name HA ))
3.800 1.800 1.800 peak 2303 weight 0.10000E+01 volume 0.30683E-03 ppm1 2.790 ppm2 3.855 CV 1
ASSI { 2305}
(( segid "PAH2" and resid 6 and name HA ))
(( segid "PAH2" and resid 6 and name HN ))
2.300 0.700 0.700 peak 2305 weight 0.10000E+01 volume 0.62894E-02 ppm1 4.222 ppm2 8.598 CV 1
ASSI { 2308}
(( segid "PAH2" and resid 6 and name HA ))
(( segid "PAH2" and resid 9 and name HB2 ))
2.800 1.000 1.000 peak 2308 weight 0.10000E+01 volume 0.18087E-02 ppm1 4.222 ppm2 3.010 CV 1
ASSI { 2309}
(( segid "PAH2" and resid 6 and name HA ))
(( segid "PAH2" and resid 6 and name HG2 ))
2.000 0.500 0.500 peak 2309 weight 0.10000E+01 volume 0.13385E-01 ppm1 4.222 ppm2 2.363 CV 1
OR { 2309}
(( segid "PAH2" and resid 6 and name HA ))
(( segid "PAH2" and resid 6 and name HG3 ))
ASSI { 2312}
(( segid "PAH2" and resid 6 and name HA ))
(( segid "PAH2" and resid 9 and name HB3 ))
2.500 0.800 0.800 peak 2312 weight 0.10000E+01 volume 0.41070E-02 ppm1 4.222 ppm2 3.137 CV 1
ASSI { 2317}
(( segid "PAH2" and resid 6 and name HB3 ))
(( segid "PAH2" and resid 6 and name HA ))
1.900 0.400 0.400 peak 2317 weight 0.10000E+01 volume 0.21611E-01 ppm1 2.062 ppm2 4.227 CV 1
OR { 2317}
(( segid "PAH2" and resid 6 and name HB2 ))
(( segid "PAH2" and resid 6 and name HA ))
ASSI { 2319}
(( segid "PAH2" and resid 6 and name HG2 ))
( segid "PAH2" and resid 5 and name HG1%)
3.200 1.300 1.300 peak 2319 weight 0.10000E+01 volume 0.90579E-03 ppm1 2.372 ppm2 0.934 CV 1
OR { 2319}
(( segid "PAH2" and resid 6 and name HG3 ))
( segid "PAH2" and resid 5 and name HG1%)
OR { 2319}
(( segid "PAH2" and resid 6 and name HG3 ))
( segid "PAH2" and resid 5 and name HG2%)
ASSI { 2320}
( segid "PAH2" and resid 5 and name HG1%)
(( segid "PAH2" and resid 9 and name HB3 ))
2.900 1.100 1.100 peak 2320 weight 0.10000E+01 volume 0.16140E-02 ppm1 0.935 ppm2 3.120 CV 1
ASSI { 2321}
( segid "PAH2" and resid 5 and name HG1%)
(( segid "PAH2" and resid 9 and name HB2 ))
2.700 0.900 0.900 peak 2321 weight 0.10000E+01 volume 0.25497E-02 ppm1 0.935 ppm2 2.969 CV 1
ASSI { 2328}
(( segid "PAH2" and resid 10 and name HA ))
(( segid "PAH2" and resid 13 and name HB2 ))
3.300 1.400 1.400 peak 2328 weight 0.10000E+01 volume 0.69281E-03 ppm1 4.123 ppm2 3.478 CV 1
ASSI { 2333}
(( segid "PAH2" and resid 15 and name HB2 ))
(( segid "PAH2" and resid 12 and name HA ))
2.600 0.800 0.800 peak 2333 weight 0.10000E+01 volume 0.31251E-02 ppm1 2.772 ppm2 4.197 CV 1
ASSI { 2338}
(( segid "PAH2" and resid 16 and name HA ))
(( segid "PAH2" and resid 19 and name HB ))
2.800 1.000 1.000 peak 2338 weight 0.10000E+01 volume 0.21157E-02 ppm1 3.861 ppm2 4.084 CV 1
ASSI { 2343}
(( segid "PAH2" and resid 12 and name HA ))
(( segid "PAH2" and resid 13 and name HN ))
3.100 1.200 1.200 peak 2343 weight 0.10000E+01 volume 0.11366E-02 ppm1 4.193 ppm2 8.136 CV 1
ASSI { 2344}
(( segid "PAH2" and resid 13 and name HA ))
(( segid "PAH2" and resid 16 and name HN ))
3.500 1.600 1.600 peak 2344 weight 0.10000E+01 volume 0.50241E-03 ppm1 4.445 ppm2 7.982 CV 1
ASSI { 2350}
(( segid "PAH2" and resid 16 and name HA ))
(( segid "PAH2" and resid 19 and name HN ))
3.200 1.300 1.300 peak 2350 weight 0.10000E+01 volume 0.94130E-03 ppm1 3.861 ppm2 8.097 CV 1
ASSI { 2351}
(( segid "PAH2" and resid 16 and name HA ))
(( segid "PAH2" and resid 15 and name HN ))
4.600 2.600 1.400 peak 2351 weight 0.10000E+01 volume 0.10372E-03 ppm1 3.861 ppm2 8.574 CV 1
ASSI { 2354}
(( segid "PAH2" and resid 13 and name HB2 ))
(( segid "PAH2" and resid 13 and name HB3 ))
2.500 0.800 0.800 peak 2354 weight 0.10000E+01 volume 0.37837E-02 ppm1 3.487 ppm2 2.884 CV 1
ASSI { 2363}
(( segid "PAH2" and resid 13 and name HB3 ))
(( segid "PAH2" and resid 13 and name HA ))
2.400 0.700 0.700 peak 2363 weight 0.10000E+01 volume 0.48756E-02 ppm1 2.864 ppm2 4.439 CV 1
ASSI { 2366}
(( segid "PAH2" and resid 13 and name HB3 ))
(( segid "PAH2" and resid 14 and name HN ))
3.500 1.600 1.600 peak 2366 weight 0.10000E+01 volume 0.49964E-03 ppm1 2.864 ppm2 8.611 CV 1
ASSI { 2368}
(( segid "PAH2" and resid 15 and name HB3 ))
(( segid "PAH2" and resid 16 and name HN ))
2.900 1.000 1.000 peak 2368 weight 0.10000E+01 volume 0.16965E-02 ppm1 2.806 ppm2 7.985 CV 1
ASSI { 2369}
(( segid "PAH2" and resid 7 and name HB2 ))
(( segid "PAH2" and resid 7 and name HB3 ))
2.000 0.500 0.500 peak 2369 weight 0.10000E+01 volume 0.15011E-01 ppm1 3.034 ppm2 3.290 CV 1
ASSI { 2371}
( segid "PAH2" and resid 11 and name HG2%)
(( segid "PAH2" and resid 11 and name HG12))
2.400 0.700 0.700 peak 2371 weight 0.10000E+01 volume 0.48635E-02 ppm1 0.898 ppm2 1.154 CV 1
ASSI { 2373}
(( segid "PAH2" and resid 11 and name HB ))
(( segid "PAH2" and resid 11 and name HG13))
3.300 1.400 1.400 peak 2373 weight 0.10000E+01 volume 0.74807E-03 ppm1 1.762 ppm2 0.547 CV 1
ASSI { 2375}
(( segid "PAH2" and resid 16 and name HD2 ))
(( segid "PAH2" and resid 16 and name HB2 ))
2.100 0.500 0.500 peak 2375 weight 0.10000E+01 volume 0.11523E-01 ppm1 1.659 ppm2 1.958 CV 1
OR { 2375}
(( segid "PAH2" and resid 16 and name HD3 ))
(( segid "PAH2" and resid 16 and name HB3 ))
OR { 2375}
(( segid "PAH2" and resid 16 and name HD2 ))
(( segid "PAH2" and resid 16 and name HB3 ))
ASSI { 2376}
(( segid "PAH2" and resid 16 and name HB2 ))
(( segid "PAH2" and resid 16 and name HE3 ))
3.100 1.200 1.200 peak 2376 weight 0.10000E+01 volume 0.10060E-02 ppm1 1.966 ppm2 2.858 CV 1
OR { 2376}
(( segid "PAH2" and resid 16 and name HB3 ))
(( segid "PAH2" and resid 16 and name HE2 ))
OR { 2376}
(( segid "PAH2" and resid 16 and name HB3 ))
(( segid "PAH2" and resid 16 and name HE3 ))
OR { 2376}
(( segid "PAH2" and resid 16 and name HB2 ))
(( segid "PAH2" and resid 16 and name HE2 ))
ASSI { 2377}
(( segid "PAH2" and resid 17 and name HG13))
( segid "PAH2" and resid 17 and name HG2%)
2.900 1.100 1.100 peak 2377 weight 0.10000E+01 volume 0.15245E-02 ppm1 1.058 ppm2 0.808 CV 1
ASSI { 2379}
(( segid "PAH2" and resid 17 and name HG12))
(( segid "PAH2" and resid 17 and name HB ))
4.200 2.200 1.800 peak 2379 weight 0.10000E+01 volume 0.17895E-03 ppm1 0.361 ppm2 1.843 CV 1
ASSI { 2382}
(( segid "PAH2" and resid 18 and name HG2 ))
(( segid "PAH2" and resid 18 and name HB3 ))
2.800 1.000 1.000 peak 2382 weight 0.10000E+01 volume 0.19800E-02 ppm1 0.516 ppm2 1.250 CV 1
ASSI { 2383}
(( segid "PAH2" and resid 18 and name HG2 ))
(( segid "PAH2" and resid 18 and name HB2 ))
2.900 1.000 1.000 peak 2383 weight 0.10000E+01 volume 0.16567E-02 ppm1 0.516 ppm2 1.589 CV 1
ASSI { 2385}
(( segid "PAH2" and resid 18 and name HB3 ))
(( segid "PAH2" and resid 18 and name HD2 ))
2.800 1.000 1.000 peak 2385 weight 0.10000E+01 volume 0.20816E-02 ppm1 1.250 ppm2 1.427 CV 1
OR { 2385}
(( segid "PAH2" and resid 18 and name HB3 ))
(( segid "PAH2" and resid 18 and name HD3 ))
ASSI { 2386}
(( segid "PAH2" and resid 18 and name HB2 ))
(( segid "PAH2" and resid 18 and name HD3 ))
2.700 0.900 0.900 peak 2386 weight 0.10000E+01 volume 0.27372E-02 ppm1 1.605 ppm2 1.402 CV 1
OR { 2386}
(( segid "PAH2" and resid 18 and name HB2 ))
(( segid "PAH2" and resid 18 and name HD2 ))
ASSI { 2387}
(( segid "PAH2" and resid 18 and name HG3 ))
(( segid "PAH2" and resid 18 and name HB3 ))
2.900 1.000 1.000 peak 2387 weight 0.10000E+01 volume 0.16645E-02 ppm1 0.719 ppm2 1.250 CV 1
ASSI { 2388}
(( segid "PAH2" and resid 18 and name HG3 ))
(( segid "PAH2" and resid 18 and name HB2 ))
2.700 0.900 0.900 peak 2388 weight 0.10000E+01 volume 0.23422E-02 ppm1 0.719 ppm2 1.589 CV 1
ASSI { 2389}
(( segid "PAH2" and resid 18 and name HD2 ))
(( segid "PAH2" and resid 18 and name HB3 ))
3.100 1.200 1.200 peak 2389 weight 0.10000E+01 volume 0.10273E-02 ppm1 1.382 ppm2 1.250 CV 1
ASSI { 2390}
(( segid "PAH2" and resid 18 and name HD2 ))
(( segid "PAH2" and resid 18 and name HB2 ))
2.900 1.000 1.000 peak 2390 weight 0.10000E+01 volume 0.16624E-02 ppm1 1.382 ppm2 1.614 CV 1
ASSI { 2391}
(( segid "PAH2" and resid 18 and name HD3 ))
(( segid "PAH2" and resid 18 and name HB3 ))
3.000 1.100 1.100 peak 2391 weight 0.10000E+01 volume 0.14251E-02 ppm1 1.465 ppm2 1.250 CV 1
ASSI { 2392}
(( segid "PAH2" and resid 18 and name HD3 ))
(( segid "PAH2" and resid 18 and name HB2 ))
2.300 0.700 0.700 peak 2392 weight 0.10000E+01 volume 0.61735E-02 ppm1 1.465 ppm2 1.614 CV 1
ASSI { 2393}
(( segid "PAH2" and resid 18 and name HE3 ))
(( segid "PAH2" and resid 18 and name HB2 ))
2.500 0.800 0.800 peak 2393 weight 0.10000E+01 volume 0.35933E-02 ppm1 2.801 ppm2 1.601 CV 1
OR { 2393}
(( segid "PAH2" and resid 18 and name HE2 ))
(( segid "PAH2" and resid 18 and name HB2 ))
ASSI { 2394}
(( segid "PAH2" and resid 18 and name HE3 ))
(( segid "PAH2" and resid 18 and name HB3 ))
2.800 1.000 1.000 peak 2394 weight 0.10000E+01 volume 0.17945E-02 ppm1 2.802 ppm2 1.250 CV 1
OR { 2394}
(( segid "PAH2" and resid 18 and name HE2 ))
(( segid "PAH2" and resid 18 and name HB3 ))
ASSI { 2395}
(( segid "PAH2" and resid 18 and name HB3 ))
( segid "PAH2" and resid 28 and name HE% )
6.000 6.000 0.000 peak 2395 weight 0.10000E+01 volume 0.69622E-05 ppm1 1.250 ppm2 6.757 CV 1
ASSI { 2396}
(( segid "PAH2" and resid 18 and name HA ))
(( segid "PAH2" and resid 21 and name HN ))
3.800 1.800 1.800 peak 2396 weight 0.10000E+01 volume 0.30569E-03 ppm1 3.098 ppm2 7.264 CV 1
OR { 2396}
(( segid "PAH2" and resid 18 and name HA ))
( segid "PAH2" and resid 21 and name HD% )
ASSI { 2399}
(( segid "PAH2" and resid 20 and name HB2 ))
(( segid "PAH2" and resid 20 and name HG2 ))
4.200 2.200 1.800 peak 2399 weight 0.10000E+01 volume 0.18371E-03 ppm1 1.111 ppm2 0.902 CV 1
ASSI { 2400}
(( segid "PAH2" and resid 21 and name HB2 ))
(( segid "PAH2" and resid 21 and name HA ))
3.000 1.200 1.200 peak 2400 weight 0.10000E+01 volume 0.12198E-02 ppm1 3.936 ppm2 4.996 CV 1
ASSI { 2401}
(( segid "PAH2" and resid 21 and name HB3 ))
(( segid "PAH2" and resid 21 and name HA ))
4.000 2.000 2.000 peak 2401 weight 0.10000E+01 volume 0.25035E-03 ppm1 2.436 ppm2 4.995 CV 1
ASSI { 2403}
(( segid "PAH2" and resid 22 and name HB3 ))
(( segid "PAH2" and resid 22 and name HB2 ))
1.900 0.400 0.400 peak 2403 weight 0.10000E+01 volume 0.23756E-01 ppm1 1.588 ppm2 1.827 CV 1
ASSI { 2404}
(( segid "PAH2" and resid 23 and name HB2 ))
(( segid "PAH2" and resid 24 and name HN ))
4.100 2.100 1.900 peak 2404 weight 0.10000E+01 volume 0.20893E-03 ppm1 2.577 ppm2 7.726 CV 1
ASSI { 2405}
(( segid "PAH2" and resid 23 and name HB3 ))
(( segid "PAH2" and resid 24 and name HN ))
4.700 2.800 1.300 peak 2405 weight 0.10000E+01 volume 0.86103E-04 ppm1 2.541 ppm2 7.726 CV 1
ASSI { 2406}
(( segid "PAH2" and resid 23 and name HB3 ))
(( segid "PAH2" and resid 24 and name HD2 ))
6.000 6.000 0.000 peak 2406 weight 0.10000E+01 volume 0.81699E-05 ppm1 2.541 ppm2 7.401 CV 1
ASSI { 2407}
(( segid "PAH2" and resid 23 and name HB2 ))
(( segid "PAH2" and resid 24 and name HD2 ))
6.000 4.400 0.000 peak 2407 weight 0.10000E+01 volume 0.21596E-04 ppm1 2.576 ppm2 7.401 CV 1
ASSI { 2408}
(( segid "PAH2" and resid 25 and name HG2 ))
(( segid "PAH2" and resid 26 and name HN ))
4.500 2.500 1.500 peak 2408 weight 0.10000E+01 volume 0.12284E-03 ppm1 2.112 ppm2 10.319 CV 1
ASSI { 2409}
(( segid "PAH2" and resid 25 and name HG3 ))
(( segid "PAH2" and resid 25 and name HD2 ))
2.500 0.800 0.800 peak 2409 weight 0.10000E+01 volume 0.43848E-02 ppm1 2.174 ppm2 3.732 CV 1
ASSI { 2410}
(( segid "PAH2" and resid 25 and name HG2 ))
(( segid "PAH2" and resid 25 and name HD2 ))
2.100 0.600 0.600 peak 2410 weight 0.10000E+01 volume 0.97612E-02 ppm1 2.114 ppm2 3.732 CV 1
ASSI { 2412}
(( segid "PAH2" and resid 26 and name HA ))
(( segid "PAH2" and resid 26 and name HG2 ))
2.800 1.000 1.000 peak 2412 weight 0.10000E+01 volume 0.19110E-02 ppm1 4.225 ppm2 2.560 CV 1
ASSI { 2413}
(( segid "PAH2" and resid 26 and name HG3 ))
(( segid "PAH2" and resid 27 and name HG13))
4.100 2.100 1.900 peak 2413 weight 0.10000E+01 volume 0.20396E-03 ppm1 2.336 ppm2 1.543 CV 1
OR { 2413}
(( segid "PAH2" and resid 26 and name HG3 ))
(( segid "PAH2" and resid 27 and name HB ))
ASSI { 2414}
(( segid "PAH2" and resid 26 and name HG2 ))
(( segid "PAH2" and resid 27 and name HG13))
4.500 2.500 1.500 peak 2414 weight 0.10000E+01 volume 0.11715E-03 ppm1 2.554 ppm2 1.543 CV 1
OR { 2414}
(( segid "PAH2" and resid 26 and name HG2 ))
(( segid "PAH2" and resid 27 and name HB ))
ASSI { 2415}
(( segid "PAH2" and resid 27 and name HA ))
(( segid "PAH2" and resid 30 and name HB2 ))
3.200 1.300 1.300 peak 2415 weight 0.10000E+01 volume 0.93420E-03 ppm1 3.674 ppm2 3.895 CV 1
OR { 2415}
(( segid "PAH2" and resid 27 and name HA ))
(( segid "PAH2" and resid 30 and name HB3 ))
ASSI { 2417}
( segid "PAH2" and resid 27 and name HD1%)
(( segid "PAH2" and resid 26 and name HG2 ))
3.600 1.600 1.600 peak 2417 weight 0.10000E+01 volume 0.45097E-03 ppm1 0.739 ppm2 2.519 CV 1
ASSI { 2418}
( segid "PAH2" and resid 27 and name HD1%)
(( segid "PAH2" and resid 26 and name HG3 ))
3.300 1.400 1.400 peak 2418 weight 0.10000E+01 volume 0.74026E-03 ppm1 0.739 ppm2 2.351 CV 1
ASSI { 2420}
(( segid "PAH2" and resid 28 and name HA ))
( segid "PAH2" and resid 27 and name HG2%)
4.400 2.400 1.600 peak 2420 weight 0.10000E+01 volume 0.13875E-03 ppm1 4.206 ppm2 -0.010 CV 1
ASSI { 2421}
(( segid "PAH2" and resid 29 and name HD3 ))
(( segid "PAH2" and resid 29 and name HN ))
6.000 4.400 0.000 peak 2421 weight 0.10000E+01 volume 0.21455E-04 ppm1 3.239 ppm2 8.299 CV 1
ASSI { 2422}
(( segid "PAH2" and resid 29 and name HD2 ))
(( segid "PAH2" and resid 29 and name HN ))
4.200 2.200 1.800 peak 2422 weight 0.10000E+01 volume 0.17803E-03 ppm1 3.172 ppm2 8.299 CV 1
ASSI { 2425}
(( segid "PAH2" and resid 29 and name HD2 ))
( segid "PAH2" and resid 32 and name HD1%)
4.000 2.000 2.000 peak 2425 weight 0.10000E+01 volume 0.24864E-03 ppm1 3.239 ppm2 0.616 CV 1
OR { 2425}
(( segid "PAH2" and resid 29 and name HD3 ))
( segid "PAH2" and resid 32 and name HD1%)
ASSI { 2426}
(( segid "PAH2" and resid 28 and name HA ))
(( segid "PAH2" and resid 31 and name HB2 ))
3.200 1.300 1.300 peak 2426 weight 0.10000E+01 volume 0.90223E-03 ppm1 4.206 ppm2 3.028 CV 1
ASSI { 2429}
(( segid "PAH2" and resid 31 and name HA ))
(( segid "PAH2" and resid 31 and name HB3 ))
2.800 1.000 1.000 peak 2429 weight 0.10000E+01 volume 0.18492E-02 ppm1 3.880 ppm2 3.499 CV 1
ASSI { 2431}
(( segid "PAH2" and resid 31 and name HB3 ))
(( segid "PAH2" and resid 32 and name HN ))
4.900 3.000 1.100 peak 2431 weight 0.10000E+01 volume 0.71042E-04 ppm1 3.498 ppm2 7.647 CV 1
ASSI { 2432}
(( segid "PAH2" and resid 31 and name HA ))
(( segid "PAH2" and resid 34 and name HN ))
3.200 1.200 1.200 peak 2432 weight 0.10000E+01 volume 0.96759E-03 ppm1 3.880 ppm2 8.001 CV 1
ASSI { 2434}
(( segid "PAH2" and resid 31 and name HA ))
(( segid "PAH2" and resid 34 and name HB ))
3.500 1.500 1.500 peak 2434 weight 0.10000E+01 volume 0.51705E-03 ppm1 3.880 ppm2 1.801 CV 1
ASSI { 2436}
(( segid "PAH2" and resid 31 and name HA ))
(( segid "PAH2" and resid 35 and name HN ))
4.700 2.700 1.300 peak 2436 weight 0.10000E+01 volume 0.92639E-04 ppm1 3.880 ppm2 7.347 CV 1
ASSI { 2441}
(( segid "PAH2" and resid 35 and name HG ))
(( segid "PAH2" and resid 32 and name HA ))
4.100 2.100 1.900 peak 2441 weight 0.10000E+01 volume 0.19061E-03 ppm1 1.363 ppm2 3.466 CV 1
ASSI { 2443}
(( segid "PAH2" and resid 35 and name HB3 ))
(( segid "PAH2" and resid 32 and name HA ))
6.000 6.000 0.000 peak 2443 weight 0.10000E+01 volume 0.80278E-05 ppm1 1.724 ppm2 3.455 CV 1
ASSI { 2444}
(( segid "PAH2" and resid 36 and name HA ))
( segid "MAD1" and resid 206 and name HD1%)
3.600 1.700 1.700 peak 2444 weight 0.10000E+01 volume 0.41616E-03 ppm1 4.225 ppm2 0.466 CV 1
ASSI { 2446}
(( segid "PAH2" and resid 38 and name HB2 ))
(( segid "PAH2" and resid 35 and name HA ))
4.100 2.100 1.900 peak 2446 weight 0.10000E+01 volume 0.19898E-03 ppm1 3.129 ppm2 3.839 CV 1
ASSI { 2447}
(( segid "PAH2" and resid 38 and name HB3 ))
(( segid "PAH2" and resid 35 and name HA ))
6.000 6.000 0.000 peak 2447 weight 0.10000E+01 volume 0.50440E-05 ppm1 3.210 ppm2 3.839 CV 1
ASSI { 2450}
(( segid "PAH2" and resid 33 and name HA ))
(( segid "PAH2" and resid 36 and name HB3 ))
2.300 0.600 0.600 peak 2450 weight 0.10000E+01 volume 0.73955E-02 ppm1 4.097 ppm2 3.265 CV 1
ASSI { 2451}
(( segid "PAH2" and resid 33 and name HA ))
(( segid "PAH2" and resid 36 and name HN ))
2.900 1.000 1.000 peak 2451 weight 0.10000E+01 volume 0.16909E-02 ppm1 4.097 ppm2 8.742 CV 1
ASSI { 2454}
(( segid "PAH2" and resid 38 and name HA ))
(( segid "PAH2" and resid 41 and name HN ))
5.300 3.400 0.700 peak 2454 weight 0.10000E+01 volume 0.45893E-04 ppm1 4.125 ppm2 7.902 CV 1
ASSI { 2455}
(( segid "PAH2" and resid 38 and name HB3 ))
(( segid "PAH2" and resid 39 and name HN ))
4.900 3.000 1.100 peak 2455 weight 0.10000E+01 volume 0.71823E-04 ppm1 3.210 ppm2 8.389 CV 1
ASSI { 2459}
(( segid "PAH2" and resid 48 and name HB2 ))
(( segid "PAH2" and resid 49 and name HD3 ))
4.500 2.500 1.500 peak 2459 weight 0.10000E+01 volume 0.11473E-03 ppm1 1.698 ppm2 3.777 CV 1
ASSI { 2461}
(( segid "PAH2" and resid 48 and name HB3 ))
(( segid "PAH2" and resid 49 and name HD3 ))
3.900 1.900 1.900 peak 2461 weight 0.10000E+01 volume 0.28438E-03 ppm1 1.821 ppm2 3.777 CV 1
ASSI { 2462}
(( segid "PAH2" and resid 48 and name HG3 ))
(( segid "PAH2" and resid 49 and name HD2 ))
4.600 2.700 1.400 peak 2462 weight 0.10000E+01 volume 0.97185E-04 ppm1 1.563 ppm2 3.613 CV 1
ASSI { 2463}
(( segid "PAH2" and resid 48 and name HG3 ))
(( segid "PAH2" and resid 49 and name HD3 ))
4.500 2.600 1.500 peak 2463 weight 0.10000E+01 volume 0.11238E-03 ppm1 1.563 ppm2 3.765 CV 1
ASSI { 2464}
(( segid "PAH2" and resid 49 and name HD2 ))
(( segid "PAH2" and resid 48 and name HD3 ))
4.900 3.000 1.100 peak 2464 weight 0.10000E+01 volume 0.72534E-04 ppm1 3.596 ppm2 3.157 CV 1
OR { 2464}
(( segid "PAH2" and resid 49 and name HD2 ))
(( segid "PAH2" and resid 48 and name HD2 ))
ASSI { 2465}
(( segid "PAH2" and resid 49 and name HD3 ))
(( segid "PAH2" and resid 48 and name HD3 ))
5.900 4.400 0.100 peak 2465 weight 0.10000E+01 volume 0.21739E-04 ppm1 3.765 ppm2 3.157 CV 1
OR { 2465}
(( segid "PAH2" and resid 49 and name HD3 ))
(( segid "PAH2" and resid 48 and name HD2 ))
ASSI { 2467}
(( segid "PAH2" and resid 49 and name HA ))
(( segid "PAH2" and resid 50 and name HB2 ))
3.000 1.100 1.100 peak 2467 weight 0.10000E+01 volume 0.12631E-02 ppm1 4.415 ppm2 3.039 CV 1
OR { 2467}
(( segid "PAH2" and resid 49 and name HA ))
(( segid "PAH2" and resid 50 and name HB3 ))
ASSI { 2469}
(( segid "PAH2" and resid 51 and name HA ))
(( segid "PAH2" and resid 51 and name HG3 ))
2.200 0.600 0.600 peak 2469 weight 0.10000E+01 volume 0.84540E-02 ppm1 4.306 ppm2 1.565 CV 1
OR { 2469}
(( segid "PAH2" and resid 51 and name HA ))
(( segid "PAH2" and resid 51 and name HG2 ))
ASSI { 2471}
(( segid "PAH2" and resid 51 and name HB3 ))
(( segid "PAH2" and resid 51 and name HG2 ))
1.900 0.400 0.400 peak 2471 weight 0.10000E+01 volume 0.21604E-01 ppm1 1.674 ppm2 1.565 CV 1
OR { 2471}
(( segid "PAH2" and resid 51 and name HB3 ))
(( segid "PAH2" and resid 51 and name HG3 ))
ASSI { 2472}
(( segid "PAH2" and resid 51 and name HB2 ))
(( segid "PAH2" and resid 51 and name HG3 ))
1.900 0.500 0.500 peak 2472 weight 0.10000E+01 volume 0.19771E-01 ppm1 1.809 ppm2 1.565 CV 1
OR { 2472}
(( segid "PAH2" and resid 51 and name HB2 ))
(( segid "PAH2" and resid 51 and name HG2 ))
ASSI { 2475}
(( segid "PAH2" and resid 51 and name HD3 ))
(( segid "PAH2" and resid 51 and name HN ))
4.400 2.500 1.600 peak 2475 weight 0.10000E+01 volume 0.12716E-03 ppm1 3.152 ppm2 8.330 CV 1
OR { 2475}
(( segid "PAH2" and resid 51 and name HD2 ))
(( segid "PAH2" and resid 51 and name HN ))
ASSI { 2476}
(( segid "PAH2" and resid 53 and name HG2 ))
(( segid "PAH2" and resid 53 and name HN ))
4.800 2.900 1.200 peak 2476 weight 0.10000E+01 volume 0.75589E-04 ppm1 2.733 ppm2 8.380 CV 1
ASSI { 2477}
(( segid "PAH2" and resid 53 and name HG3 ))
(( segid "PAH2" and resid 53 and name HN ))
4.500 2.500 1.500 peak 2477 weight 0.10000E+01 volume 0.12369E-03 ppm1 2.652 ppm2 8.380 CV 1
ASSI { 2478}
(( segid "PAH2" and resid 53 and name HB3 ))
( segid "PAH2" and resid 38 and name HD% )
4.900 3.000 1.100 peak 2478 weight 0.10000E+01 volume 0.71397E-04 ppm1 1.922 ppm2 6.960 CV 1
ASSI { 2479}
(( segid "PAH2" and resid 53 and name HB3 ))
(( segid "PAH2" and resid 54 and name HN ))
5.500 3.800 0.500 peak 2479 weight 0.10000E+01 volume 0.34029E-04 ppm1 1.922 ppm2 8.985 CV 1
ASSI { 2480}
(( segid "PAH2" and resid 53 and name HB2 ))
( segid "PAH2" and resid 38 and name HD% )
4.600 2.700 1.400 peak 2480 weight 0.10000E+01 volume 0.10052E-03 ppm1 2.033 ppm2 6.960 CV 1
ASSI { 2482}
(( segid "PAH2" and resid 54 and name HB3 ))
(( segid "PAH2" and resid 56 and name HN ))
4.500 2.500 1.500 peak 2482 weight 0.10000E+01 volume 0.12105E-03 ppm1 4.094 ppm2 8.857 CV 1
ASSI { 2484}
(( segid "PAH2" and resid 56 and name HA ))
(( segid "PAH2" and resid 57 and name HN ))
6.000 6.000 0.000 peak 2484 weight 0.10000E+01 volume 0.60386E-05 ppm1 4.040 ppm2 7.932 CV 1
ASSI { 2485}
(( segid "PAH2" and resid 58 and name HA ))
(( segid "PAH2" and resid 61 and name HN ))
3.000 1.100 1.100 peak 2485 weight 0.10000E+01 volume 0.13434E-02 ppm1 3.583 ppm2 7.991 CV 1
ASSI { 2487}
(( segid "PAH2" and resid 60 and name HB ))
(( segid "PAH2" and resid 60 and name HN ))
2.300 0.700 0.700 peak 2487 weight 0.10000E+01 volume 0.57792E-02 ppm1 4.328 ppm2 8.354 CV 1
ASSI { 2488}
(( segid "PAH2" and resid 65 and name HA ))
( segid "PAH2" and resid 27 and name HG2%)
3.900 1.900 1.900 peak 2488 weight 0.10000E+01 volume 0.26562E-03 ppm1 4.045 ppm2 -0.027 CV 1
ASSI { 2489}
(( segid "PAH2" and resid 65 and name HA ))
( segid "PAH2" and resid 62 and name HG1%)
5.500 3.800 0.500 peak 2489 weight 0.10000E+01 volume 0.34385E-04 ppm1 4.045 ppm2 -0.226 CV 1
ASSI { 2490}
(( segid "PAH2" and resid 62 and name HA ))
(( segid "PAH2" and resid 65 and name HB2 ))
2.600 0.900 0.900 peak 2490 weight 0.10000E+01 volume 0.28850E-02 ppm1 2.977 ppm2 1.424 CV 1
ASSI { 2493}
(( segid "PAH2" and resid 65 and name HB3 ))
(( segid "PAH2" and resid 62 and name HA ))
4.100 2.200 1.900 peak 2493 weight 0.10000E+01 volume 0.18826E-03 ppm1 1.472 ppm2 2.969 CV 1
ASSI { 2494}
(( segid "PAH2" and resid 65 and name HG ))
(( segid "PAH2" and resid 62 and name HA ))
5.200 3.400 0.800 peak 2494 weight 0.10000E+01 volume 0.47029E-04 ppm1 1.589 ppm2 2.969 CV 1
ASSI { 2496}
( segid "PAH2" and resid 65 and name HD2%)
( segid "PAH2" and resid 62 and name HG1%)
4.000 2.000 2.000 peak 2496 weight 0.10000E+01 volume 0.22329E-03 ppm1 0.774 ppm2 -0.226 CV 1
ASSI { 2498}
(( segid "PAH2" and resid 62 and name HA ))
(( segid "PAH2" and resid 31 and name HN ))
4.100 2.100 1.900 peak 2498 weight 0.10000E+01 volume 0.19962E-03 ppm1 2.977 ppm2 8.142 CV 1
ASSI { 2499}
(( segid "PAH2" and resid 63 and name HA ))
(( segid "PAH2" and resid 66 and name HN ))
3.800 1.800 1.800 peak 2499 weight 0.10000E+01 volume 0.32097E-03 ppm1 3.760 ppm2 8.259 CV 1
ASSI { 2501}
(( segid "PAH2" and resid 65 and name HA ))
(( segid "PAH2" and resid 67 and name HN ))
4.100 2.100 1.900 peak 2501 weight 0.10000E+01 volume 0.19608E-03 ppm1 4.045 ppm2 6.972 CV 1
ASSI { 2504}
(( segid "PAH2" and resid 67 and name HD2 ))
(( segid "PAH2" and resid 67 and name HA ))
4.200 2.200 1.800 peak 2504 weight 0.10000E+01 volume 0.17093E-03 ppm1 3.313 ppm2 4.128 CV 1
ASSI { 2505}
(( segid "PAH2" and resid 67 and name HD3 ))
(( segid "PAH2" and resid 67 and name HA ))
3.700 1.700 1.700 peak 2505 weight 0.10000E+01 volume 0.36914E-03 ppm1 3.275 ppm2 4.128 CV 1
ASSI { 2507}
(( segid "PAH2" and resid 67 and name HD3 ))
(( segid "PAH2" and resid 64 and name HA ))
3.800 1.800 1.800 peak 2507 weight 0.10000E+01 volume 0.31451E-03 ppm1 3.275 ppm2 4.421 CV 1
OR { 2507}
(( segid "PAH2" and resid 67 and name HD2 ))
(( segid "PAH2" and resid 64 and name HA ))
ASSI { 2508}
(( segid "PAH2" and resid 67 and name HD2 ))
(( segid "PAH2" and resid 67 and name HN ))
6.000 5.900 0.000 peak 2508 weight 0.10000E+01 volume 0.92355E-05 ppm1 3.313 ppm2 7.007 CV 1
ASSI { 2509}
(( segid "PAH2" and resid 67 and name HD3 ))
(( segid "PAH2" and resid 67 and name HN ))
6.000 4.600 0.000 peak 2509 weight 0.10000E+01 volume 0.19395E-04 ppm1 3.268 ppm2 7.011 CV 1
ASSI { 2510}
(( segid "PAH2" and resid 67 and name HD2 ))
(( segid "PAH2" and resid 68 and name HN ))
5.900 4.400 0.100 peak 2510 weight 0.10000E+01 volume 0.22734E-04 ppm1 3.313 ppm2 9.418 CV 1
ASSI { 2513}
(( segid "PAH2" and resid 67 and name HB3 ))
(( segid "PAH2" and resid 68 and name HN ))
5.900 4.300 0.100 peak 2513 weight 0.10000E+01 volume 0.23515E-04 ppm1 2.006 ppm2 9.428 CV 1
ASSI { 2517}
(( segid "PAH2" and resid 73 and name HB3 ))
(( segid "PAH2" and resid 70 and name HA ))
3.600 1.600 1.600 peak 2517 weight 0.10000E+01 volume 0.44920E-03 ppm1 2.053 ppm2 3.945 CV 1
ASSI { 2518}
(( segid "PAH2" and resid 73 and name HG ))
(( segid "PAH2" and resid 70 and name HA ))
5.200 3.400 0.800 peak 2518 weight 0.10000E+01 volume 0.49587E-04 ppm1 1.864 ppm2 3.938 CV 1
ASSI { 2519}
(( segid "PAH2" and resid 70 and name HA ))
(( segid "PAH2" and resid 74 and name HN ))
6.000 5.700 0.000 peak 2519 weight 0.10000E+01 volume 0.10159E-04 ppm1 3.938 ppm2 8.330 CV 1
ASSI { 2520}
(( segid "PAH2" and resid 71 and name HA ))
(( segid "PAH2" and resid 74 and name HB2 ))
2.800 1.000 1.000 peak 2520 weight 0.10000E+01 volume 0.18769E-02 ppm1 4.416 ppm2 4.081 CV 1
OR { 2520}
(( segid "PAH2" and resid 71 and name HA ))
(( segid "PAH2" and resid 74 and name HB3 ))
ASSI { 2521}
(( segid "PAH2" and resid 71 and name HA ))
(( segid "PAH2" and resid 74 and name HN ))
3.500 1.500 1.500 peak 2521 weight 0.10000E+01 volume 0.53608E-03 ppm1 4.417 ppm2 8.353 CV 1
ASSI { 2524}
(( segid "PAH2" and resid 72 and name HB2 ))
(( segid "PAH2" and resid 72 and name HA ))
4.100 2.100 1.900 peak 2524 weight 0.10000E+01 volume 0.20034E-03 ppm1 1.657 ppm2 4.327 CV 1
ASSI { 2525}
(( segid "PAH2" and resid 72 and name HG ))
(( segid "PAH2" and resid 72 and name HA ))
4.100 2.100 1.900 peak 2525 weight 0.10000E+01 volume 0.20154E-03 ppm1 1.560 ppm2 4.300 CV 1
ASSI { 2527}
(( segid "PAH2" and resid 72 and name HB3 ))
(( segid "PAH2" and resid 72 and name HN ))
4.400 2.400 1.600 peak 2527 weight 0.10000E+01 volume 0.13107E-03 ppm1 1.018 ppm2 7.785 CV 1
ASSI { 2529}
(( segid "PAH2" and resid 75 and name HB2 ))
(( segid "PAH2" and resid 72 and name HA ))
3.000 1.100 1.100 peak 2529 weight 0.10000E+01 volume 0.13534E-02 ppm1 2.070 ppm2 4.314 CV 1
ASSI { 2530}
(( segid "PAH2" and resid 73 and name HA ))
(( segid "PAH2" and resid 74 and name HN ))
4.400 2.400 1.600 peak 2530 weight 0.10000E+01 volume 0.14159E-03 ppm1 4.397 ppm2 8.330 CV 1
ASSI { 2532}
(( segid "PAH2" and resid 73 and name HA ))
(( segid "PAH2" and resid 76 and name HB3 ))
3.400 1.500 1.500 peak 2532 weight 0.10000E+01 volume 0.58957E-03 ppm1 4.397 ppm2 3.299 CV 1
ASSI { 2533}
(( segid "PAH2" and resid 73 and name HA ))
(( segid "PAH2" and resid 76 and name HB2 ))
3.000 1.100 1.100 peak 2533 weight 0.10000E+01 volume 0.14052E-02 ppm1 4.397 ppm2 4.090 CV 1
ASSI { 2534}
( segid "PAH2" and resid 73 and name HD1%)
(( segid "PAH2" and resid 74 and name HN ))
4.400 2.400 1.600 peak 2534 weight 0.10000E+01 volume 0.13647E-03 ppm1 0.806 ppm2 8.344 CV 1
ASSI { 2535}
(( segid "PAH2" and resid 73 and name HA ))
(( segid "PAH2" and resid 76 and name HN ))
3.800 1.800 1.800 peak 2535 weight 0.10000E+01 volume 0.34427E-03 ppm1 4.397 ppm2 7.670 CV 1
ASSI { 2536}
(( segid "PAH2" and resid 74 and name HB3 ))
(( segid "PAH2" and resid 71 and name HB3 ))
3.700 1.700 1.700 peak 2536 weight 0.10000E+01 volume 0.35109E-03 ppm1 4.073 ppm2 2.854 CV 1
OR { 2536}
(( segid "PAH2" and resid 74 and name HB2 ))
(( segid "PAH2" and resid 71 and name HB3 ))
ASSI { 2537}
(( segid "PAH2" and resid 74 and name HB3 ))
(( segid "PAH2" and resid 75 and name HG3 ))
3.600 1.600 1.600 peak 2537 weight 0.10000E+01 volume 0.45197E-03 ppm1 4.071 ppm2 2.363 CV 1
ASSI { 2540}
(( segid "PAH2" and resid 74 and name HB2 ))
(( segid "PAH2" and resid 74 and name HN ))
2.000 0.500 0.500 peak 2540 weight 0.10000E+01 volume 0.15494E-01 ppm1 4.075 ppm2 8.341 CV 1
OR { 2540}
(( segid "PAH2" and resid 74 and name HB3 ))
(( segid "PAH2" and resid 74 and name HN ))
ASSI { 2541}
(( segid "PAH2" and resid 74 and name HB3 ))
(( segid "PAH2" and resid 75 and name HN ))
2.100 0.500 0.500 peak 2541 weight 0.10000E+01 volume 0.11331E-01 ppm1 4.075 ppm2 7.947 CV 1
ASSI { 2542}
(( segid "PAH2" and resid 75 and name HA ))
(( segid "PAH2" and resid 76 and name HN ))
3.700 1.700 1.700 peak 2542 weight 0.10000E+01 volume 0.38895E-03 ppm1 4.068 ppm2 7.675 CV 1
ASSI { 2548}
(( segid "PAH2" and resid 75 and name HG3 ))
( segid "PAH2" and resid 13 and name HD% )
4.000 2.000 2.000 peak 2548 weight 0.10000E+01 volume 0.22797E-03 ppm1 2.361 ppm2 6.968 CV 1
ASSI { 2550}
(( segid "PAH2" and resid 78 and name HA ))
(( segid "PAH2" and resid 80 and name HN ))
4.100 2.100 1.900 peak 2550 weight 0.10000E+01 volume 0.20247E-03 ppm1 3.867 ppm2 6.892 CV 1
ASSI { 2551}
(( segid "PAH2" and resid 78 and name HB3 ))
(( segid "PAH2" and resid 78 and name HE22))
6.000 5.700 0.000 peak 2551 weight 0.10000E+01 volume 0.10088E-04 ppm1 1.543 ppm2 6.904 CV 1
ASSI { 2552}
(( segid "PAH2" and resid 78 and name HB2 ))
(( segid "PAH2" and resid 78 and name HE22))
5.600 3.900 0.400 peak 2552 weight 0.10000E+01 volume 0.32821E-04 ppm1 1.633 ppm2 6.904 CV 1
ASSI { 2553}
(( segid "PAH2" and resid 78 and name HG2 ))
(( segid "PAH2" and resid 78 and name HE22))
3.800 1.800 1.800 peak 2553 weight 0.10000E+01 volume 0.30597E-03 ppm1 1.590 ppm2 6.978 CV 1
ASSI { 2555}
(( segid "PAH2" and resid 80 and name HG ))
(( segid "PAH2" and resid 80 and name HA ))
5.200 3.300 0.800 peak 2555 weight 0.10000E+01 volume 0.50725E-04 ppm1 1.270 ppm2 4.656 CV 1
ASSI { 2556}
(( segid "PAH2" and resid 59 and name HB3 ))
( segid "PAH2" and resid 80 and name HD1%)
3.300 1.300 1.300 peak 2556 weight 0.10000E+01 volume 0.78005E-03 ppm1 3.303 ppm2 0.719 CV 1
ASSI { 2559}
( segid "PAH2" and resid 80 and name HD1%)
(( segid "PAH2" and resid 59 and name HN ))
4.400 2.400 1.600 peak 2559 weight 0.10000E+01 volume 0.13043E-03 ppm1 0.688 ppm2 8.358 CV 1
ASSI { 2560}
(( segid "PAH2" and resid 77 and name HA1 ))
( segid "PAH2" and resid 80 and name HD1%)
4.200 2.200 1.800 peak 2560 weight 0.10000E+01 volume 0.16752E-03 ppm1 3.863 ppm2 0.673 CV 1
ASSI { 2563}
(( segid "PAH2" and resid 81 and name HB3 ))
(( segid "PAH2" and resid 82 and name HN ))
5.900 4.400 0.100 peak 2563 weight 0.10000E+01 volume 0.22094E-04 ppm1 1.932 ppm2 9.147 CV 1
ASSI { 2598}
(( segid "PAH2" and resid 52 and name HA2 ))
(( segid "PAH2" and resid 52 and name HA1 ))
1.800 0.400 0.400 peak 2598 weight 0.10000E+01 volume 0.30250E-01 ppm1 3.785 ppm2 3.971 CV 1
ASSI { 2600}
(( segid "PAH2" and resid 52 and name HA1 ))
(( segid "PAH2" and resid 53 and name HB2 ))
3.000 1.200 1.200 peak 2600 weight 0.10000E+01 volume 0.12099E-02 ppm1 3.975 ppm2 2.032 CV 1
ASSI { 2603}
(( segid "PAH2" and resid 52 and name HA1 ))
(( segid "PAH2" and resid 53 and name HN ))
2.400 0.700 0.700 peak 2603 weight 0.10000E+01 volume 0.44707E-02 ppm1 3.975 ppm2 8.380 CV 1
ASSI { 2610}
(( segid "PAH2" and resid 73 and name HB2 ))
(( segid "PAH2" and resid 73 and name HA ))
2.800 1.000 1.000 peak 2610 weight 0.10000E+01 volume 0.18109E-02 ppm1 1.832 ppm2 4.395 CV 1
ASSI { 2614}
(( segid "PAH2" and resid 64 and name HB2 ))
(( segid "PAH2" and resid 64 and name HD21))
2.400 0.700 0.700 peak 2614 weight 0.10000E+01 volume 0.50305E-02 ppm1 2.815 ppm2 7.669 CV 1
OR { 2614}
(( segid "PAH2" and resid 64 and name HB3 ))
(( segid "PAH2" and resid 64 and name HD21))
ASSI { 2617}
(( segid "PAH2" and resid 38 and name HA ))
( segid "PAH2" and resid 38 and name HE% )
4.600 2.600 1.400 peak 2617 weight 0.10000E+01 volume 0.10635E-03 ppm1 4.129 ppm2 6.746 CV 1
ASSI { 2619}
(( segid "PAH2" and resid 39 and name HG3 ))
(( segid "PAH2" and resid 39 and name HE21))
3.700 1.700 1.700 peak 2619 weight 0.10000E+01 volume 0.40188E-03 ppm1 2.387 ppm2 6.823 CV 1
ASSI { 2620}
(( segid "PAH2" and resid 39 and name HG2 ))
(( segid "PAH2" and resid 39 and name HE21))
3.800 1.800 1.800 peak 2620 weight 0.10000E+01 volume 0.32566E-03 ppm1 2.355 ppm2 6.823 CV 1
ASSI { 2627}
(( segid "PAH2" and resid 38 and name HA ))
( segid "PAH2" and resid 58 and name HG2%)
3.400 1.500 1.500 peak 2627 weight 0.10000E+01 volume 0.60336E-03 ppm1 4.126 ppm2 0.833 CV 1
ASSI { 2628}
( segid "PAH2" and resid 27 and name HG2%)
(( segid "PAH2" and resid 66 and name HZ ))
5.200 3.400 0.800 peak 2628 weight 0.10000E+01 volume 0.46036E-04 ppm1 -0.023 ppm2 6.019 CV 1
ASSI { 2632}
(( segid "PAH2" and resid 29 and name HA ))
( segid "PAH2" and resid 28 and name HE% )
6.000 4.400 0.000 peak 2632 weight 0.10000E+01 volume 0.21596E-04 ppm1 3.758 ppm2 6.757 CV 1
ASSI { 2634}
(( segid "PAH2" and resid 29 and name HG3 ))
( segid "PAH2" and resid 28 and name HE% )
5.900 4.400 0.100 peak 2634 weight 0.10000E+01 volume 0.22094E-04 ppm1 1.675 ppm2 6.757 CV 1
ASSI { 2635}
(( segid "PAH2" and resid 39 and name HA ))
(( segid "PAH2" and resid 42 and name HE22))
4.200 2.200 1.800 peak 2635 weight 0.10000E+01 volume 0.18322E-03 ppm1 3.900 ppm2 6.783 CV 1
ASSI { 2636}
(( segid "PAH2" and resid 53 and name HG2 ))
( segid "PAH2" and resid 38 and name HE% )
6.000 6.000 0.000 peak 2636 weight 0.10000E+01 volume 0.73173E-05 ppm1 2.733 ppm2 6.747 CV 1
ASSI { 2637}
( segid "PAH2" and resid 53 and name HE% )
( segid "PAH2" and resid 38 and name HE% )
4.800 2.800 1.200 peak 2637 weight 0.10000E+01 volume 0.83120E-04 ppm1 2.069 ppm2 6.759 CV 1
ASSI { 2638}
(( segid "PAH2" and resid 32 and name HG ))
( segid "PAH2" and resid 31 and name HD% )
3.800 1.800 1.800 peak 2638 weight 0.10000E+01 volume 0.31749E-03 ppm1 1.401 ppm2 6.862 CV 1
ASSI { 2639}
(( segid "PAH2" and resid 73 and name HG ))
( segid "PAH2" and resid 66 and name HD% )
5.900 4.400 0.100 peak 2639 weight 0.10000E+01 volume 0.22165E-04 ppm1 1.865 ppm2 6.607 CV 1
ASSI { 2640}
(( segid "PAH2" and resid 73 and name HA ))
( segid "PAH2" and resid 76 and name HD% )
5.000 3.100 1.000 peak 2640 weight 0.10000E+01 volume 0.63156E-04 ppm1 4.397 ppm2 7.380 CV 1
ASSI { 2643}
( segid "PAH2" and resid 5 and name HG2%)
(( segid "PAH2" and resid 6 and name HG3 ))
3.300 1.300 1.300 peak 2643 weight 0.10000E+01 volume 0.81130E-03 ppm1 1.030 ppm2 2.373 CV 1
OR { 2643}
( segid "PAH2" and resid 5 and name HG2%)
(( segid "PAH2" and resid 6 and name HG2 ))
ASSI { 2646}
( segid "PAH2" and resid 10 and name HB% )
(( segid "MAD1" and resid 208 and name HN ))
5.100 3.300 0.900 peak 2646 weight 0.10000E+01 volume 0.52216E-04 ppm1 1.443 ppm2 8.834 CV 1
ASSI { 2647}
( segid "PAH2" and resid 10 and name HB% )
(( segid "MAD1" and resid 205 and name HN ))
5.200 3.400 0.800 peak 2647 weight 0.10000E+01 volume 0.47029E-04 ppm1 1.443 ppm2 7.653 CV 1
ASSI { 2648}
( segid "PAH2" and resid 10 and name HB% )
( segid "MAD1" and resid 208 and name HB% )
2.100 0.500 0.500 peak 2648 weight 0.10000E+01 volume 0.11949E-01 ppm1 1.443 ppm2 1.281 CV 1
ASSI { 2649}
( segid "PAH2" and resid 10 and name HB% )
(( segid "PAH2" and resid 11 and name HG12))
2.900 1.000 1.000 peak 2649 weight 0.10000E+01 volume 0.17399E-02 ppm1 1.443 ppm2 1.142 CV 1
ASSI { 2650}
( segid "PAH2" and resid 10 and name HB% )
(( segid "PAH2" and resid 11 and name HG13))
5.900 4.300 0.100 peak 2650 weight 0.10000E+01 volume 0.22876E-04 ppm1 1.443 ppm2 0.556 CV 1
ASSI { 2652}
( segid "PAH2" and resid 11 and name HG2%)
( segid "MAD1" and resid 208 and name HB% )
2.800 1.000 1.000 peak 2652 weight 0.10000E+01 volume 0.21895E-02 ppm1 0.898 ppm2 1.290 CV 1
ASSI { 2653}
( segid "PAH2" and resid 11 and name HG2%)
(( segid "PAH2" and resid 14 and name HB ))
2.700 0.900 0.900 peak 2653 weight 0.10000E+01 volume 0.24148E-02 ppm1 0.898 ppm2 2.015 CV 1
ASSI { 2655}
( segid "PAH2" and resid 11 and name HD1%)
( segid "MAD1" and resid 208 and name HB% )
2.600 0.800 0.800 peak 2655 weight 0.10000E+01 volume 0.33795E-02 ppm1 0.374 ppm2 1.296 CV 1
ASSI { 2656}
( segid "PAH2" and resid 11 and name HD1%)
( segid "PAH2" and resid 10 and name HB% )
3.500 1.600 1.600 peak 2656 weight 0.10000E+01 volume 0.48266E-03 ppm1 0.374 ppm2 1.416 CV 1
ASSI { 2657}
( segid "PAH2" and resid 11 and name HD1%)
(( segid "PAH2" and resid 14 and name HB ))
3.300 1.300 1.300 peak 2657 weight 0.10000E+01 volume 0.80704E-03 ppm1 0.374 ppm2 2.014 CV 1
ASSI { 2660}
(( segid "PAH2" and resid 11 and name HG13))
( segid "MAD1" and resid 211 and name HD% )
5.400 3.600 0.600 peak 2660 weight 0.10000E+01 volume 0.38718E-04 ppm1 0.547 ppm2 7.149 CV 1
ASSI { 2661}
(( segid "PAH2" and resid 11 and name HG12))
(( segid "MAD1" and resid 208 and name HA ))
4.200 2.300 1.800 peak 2661 weight 0.10000E+01 volume 0.16411E-03 ppm1 1.143 ppm2 4.096 CV 1
ASSI { 2663}
(( segid "PAH2" and resid 13 and name HB2 ))
( segid "MAD1" and resid 205 and name HD2%)
6.000 6.000 0.000 peak 2663 weight 0.10000E+01 volume 0.49019E-05 ppm1 3.487 ppm2 0.186 CV 1
ASSI { 2664}
( segid "PAH2" and resid 14 and name HG2%)
(( segid "MAD1" and resid 209 and name HN ))
3.300 1.300 1.300 peak 2664 weight 0.10000E+01 volume 0.79567E-03 ppm1 1.246 ppm2 8.462 CV 1
ASSI { 2665}
( segid "PAH2" and resid 14 and name HG2%)
(( segid "MAD1" and resid 208 and name HN ))
5.100 3.200 0.900 peak 2665 weight 0.10000E+01 volume 0.56266E-04 ppm1 1.246 ppm2 8.802 CV 1
ASSI { 2673}
( segid "PAH2" and resid 14 and name HG2%)
( segid "MAD1" and resid 205 and name HD1%)
3.300 1.300 1.300 peak 2673 weight 0.10000E+01 volume 0.79070E-03 ppm1 1.246 ppm2 0.841 CV 1
ASSI { 2674}
( segid "PAH2" and resid 14 and name HG2%)
( segid "PAH2" and resid 32 and name HD2%)
3.600 1.600 1.600 peak 2674 weight 0.10000E+01 volume 0.47306E-03 ppm1 1.246 ppm2 0.612 CV 1
ASSI { 2679}
( segid "PAH2" and resid 32 and name HD2%)
(( segid "PAH2" and resid 29 and name HA ))
4.700 2.800 1.300 peak 2679 weight 0.10000E+01 volume 0.83900E-04 ppm1 0.612 ppm2 3.769 CV 1
ASSI { 2680}
( segid "PAH2" and resid 35 and name HD2%)
( segid "MAD1" and resid 205 and name HD2%)
3.700 1.700 1.700 peak 2680 weight 0.10000E+01 volume 0.40026E-03 ppm1 0.553 ppm2 0.208 CV 1
ASSI { 2681}
( segid "PAH2" and resid 35 and name HD1%)
( segid "MAD1" and resid 205 and name HD2%)
3.500 1.500 1.500 peak 2681 weight 0.10000E+01 volume 0.54070E-03 ppm1 0.415 ppm2 0.208 CV 1
ASSI { 2682}
( segid "PAH2" and resid 35 and name HD1%)
( segid "MAD1" and resid 202 and name HG2%)
2.700 0.900 0.900 peak 2682 weight 0.10000E+01 volume 0.24061E-02 ppm1 0.415 ppm2 0.995 CV 1
ASSI { 2683}
( segid "PAH2" and resid 35 and name HD1%)
( segid "MAD1" and resid 205 and name HD1%)
2.700 0.900 0.900 peak 2683 weight 0.10000E+01 volume 0.24808E-02 ppm1 0.415 ppm2 0.872 CV 1
ASSI { 2684}
( segid "PAH2" and resid 35 and name HD2%)
( segid "MAD1" and resid 205 and name HD1%)
2.400 0.700 0.700 peak 2684 weight 0.10000E+01 volume 0.54794E-02 ppm1 0.553 ppm2 0.882 CV 1
ASSI { 2686}
( segid "PAH2" and resid 35 and name HD2%)
(( segid "MAD1" and resid 202 and name HG13))
2.800 1.000 1.000 peak 2686 weight 0.10000E+01 volume 0.19615E-02 ppm1 0.553 ppm2 1.587 CV 1
ASSI { 2687}
(( segid "PAH2" and resid 79 and name HB2 ))
( segid "MAD1" and resid 205 and name HD1%)
4.200 2.200 1.800 peak 2687 weight 0.10000E+01 volume 0.17832E-03 ppm1 2.456 ppm2 0.871 CV 1
ASSI { 2688}
(( segid "PAH2" and resid 79 and name HB3 ))
( segid "MAD1" and resid 205 and name HD1%)
5.200 3.400 0.800 peak 2688 weight 0.10000E+01 volume 0.48735E-04 ppm1 2.973 ppm2 0.871 CV 1
ASSI { 2690}
( segid "PAH2" and resid 11 and name HD1%)
( segid "PAH2" and resid 7 and name HD% )
2.600 0.900 0.900 peak 2690 weight 0.10000E+01 volume 0.28068E-02 ppm1 0.374 ppm2 7.223 CV 1
ASSI { 2691}
( segid "PAH2" and resid 72 and name HD1%)
(( segid "PAH2" and resid 66 and name HZ ))
6.000 6.000 0.000 peak 2691 weight 0.10000E+01 volume 0.80278E-05 ppm1 0.182 ppm2 5.988 CV 1
ASSI { 2692}
( segid "PAH2" and resid 72 and name HD1%)
(( segid "PAH2" and resid 66 and name HB2 ))
4.300 2.300 1.700 peak 2692 weight 0.10000E+01 volume 0.15068E-03 ppm1 0.182 ppm2 2.972 CV 1
ASSI { 2693}
( segid "PAH2" and resid 72 and name HD1%)
(( segid "PAH2" and resid 69 and name HG3 ))
3.400 1.400 1.400 peak 2693 weight 0.10000E+01 volume 0.62396E-03 ppm1 0.182 ppm2 2.262 CV 1
OR { 2693}
( segid "PAH2" and resid 72 and name HD1%)
(( segid "PAH2" and resid 69 and name HG2 ))
ASSI { 2695}
(( segid "PAH2" and resid 11 and name HA ))
( segid "MAD1" and resid 212 and name HD1%)
2.800 1.000 1.000 peak 2695 weight 0.10000E+01 volume 0.20346E-02 ppm1 3.438 ppm2 0.960 CV 1
ASSI { 2700}
( segid "PAH2" and resid 32 and name HD2%)
(( segid "MAD1" and resid 209 and name HN ))
6.000 6.000 0.000 peak 2700 weight 0.10000E+01 volume 0.87381E-05 ppm1 0.612 ppm2 8.463 CV 1
ASSI { 2701}
( segid "PAH2" and resid 34 and name HD1%)
( segid "PAH2" and resid 62 and name HG1%)
4.200 2.200 1.800 peak 2701 weight 0.10000E+01 volume 0.17987E-03 ppm1 0.703 ppm2 -0.212 CV 1
ASSI { 2702}
(( segid "PAH2" and resid 35 and name HB3 ))
( segid "MAD1" and resid 202 and name HG2%)
4.300 2.300 1.700 peak 2702 weight 0.10000E+01 volume 0.15032E-03 ppm1 1.724 ppm2 1.030 CV 1
ASSI { 2703}
(( segid "PAH2" and resid 39 and name HG3 ))
( segid "MAD1" and resid 202 and name HG2%)
3.300 1.300 1.300 peak 2703 weight 0.10000E+01 volume 0.81058E-03 ppm1 2.387 ppm2 1.000 CV 1
OR { 2703}
(( segid "PAH2" and resid 39 and name HG2 ))
( segid "MAD1" and resid 202 and name HG2%)
ASSI { 2709}
(( segid "PAH2" and resid 64 and name HB2 ))
(( segid "PAH2" and resid 61 and name HN ))
3.400 1.400 1.400 peak 2709 weight 0.10000E+01 volume 0.67568E-03 ppm1 2.815 ppm2 7.985 CV 1
OR { 2709}
(( segid "PAH2" and resid 64 and name HB3 ))
(( segid "PAH2" and resid 61 and name HN ))
ASSI { 2722}
(( segid "PAH2" and resid 16 and name HD2 ))
(( segid "PAH2" and resid 16 and name HN ))
4.100 2.100 1.900 peak 2722 weight 0.10000E+01 volume 0.20659E-03 ppm1 1.659 ppm2 7.990 CV 1
OR { 2722}
(( segid "PAH2" and resid 16 and name HD3 ))
(( segid "PAH2" and resid 16 and name HN ))
ASSI { 2725}
(( segid "PAH2" and resid 18 and name HD2 ))
(( segid "PAH2" and resid 18 and name HN ))
6.000 6.000 0.000 peak 2725 weight 0.10000E+01 volume 0.78146E-05 ppm1 1.388 ppm2 8.389 CV 1
OR { 2725}
(( segid "PAH2" and resid 18 and name HD3 ))
(( segid "PAH2" and resid 18 and name HN ))
ASSI { 2727}
(( segid "PAH2" and resid 18 and name HE3 ))
(( segid "PAH2" and resid 18 and name HN ))
6.000 5.800 0.000 peak 2727 weight 0.10000E+01 volume 0.95196E-05 ppm1 2.808 ppm2 8.378 CV 1
OR { 2727}
(( segid "PAH2" and resid 18 and name HE2 ))
(( segid "PAH2" and resid 18 and name HN ))
ASSI { 2729}
( segid "PAH2" and resid 19 and name HG2%)
(( segid "PAH2" and resid 20 and name HN ))
2.300 0.700 0.700 peak 2729 weight 0.10000E+01 volume 0.58276E-02 ppm1 1.173 ppm2 7.965 CV 1
ASSI { 2730}
(( segid "PAH2" and resid 25 and name HB3 ))
(( segid "PAH2" and resid 26 and name HN ))
5.900 4.400 0.100 peak 2730 weight 0.10000E+01 volume 0.22520E-04 ppm1 2.214 ppm2 10.313 CV 1
ASSI { 2731}
( segid "PAH2" and resid 27 and name HG2%)
(( segid "PAH2" and resid 69 and name HE22))
4.300 2.300 1.700 peak 2731 weight 0.10000E+01 volume 0.15118E-03 ppm1 -0.021 ppm2 7.537 CV 1
ASSI { 2732}
( segid "PAH2" and resid 27 and name HD1%)
(( segid "PAH2" and resid 69 and name HE22))
3.500 1.500 1.500 peak 2732 weight 0.10000E+01 volume 0.55825E-03 ppm1 0.739 ppm2 7.470 CV 1
ASSI { 2733}
( segid "PAH2" and resid 27 and name HD1%)
(( segid "PAH2" and resid 24 and name HN ))
3.700 1.700 1.700 peak 2733 weight 0.10000E+01 volume 0.35691E-03 ppm1 0.733 ppm2 7.719 CV 1
ASSI { 2734}
( segid "PAH2" and resid 32 and name HD1%)
( segid "PAH2" and resid 31 and name HD% )
3.100 1.200 1.200 peak 2734 weight 0.10000E+01 volume 0.11459E-02 ppm1 0.613 ppm2 6.845 CV 1
ASSI { 2743}
( segid "PAH2" and resid 10 and name HB% )
(( segid "PAH2" and resid 9 and name HB3 ))
3.700 1.700 1.700 peak 2743 weight 0.10000E+01 volume 0.39598E-03 ppm1 1.443 ppm2 3.112 CV 1
ASSI { 2744}
( segid "PAH2" and resid 14 and name HG2%)
( segid "MAD1" and resid 212 and name HD1%)
2.800 1.000 1.000 peak 2744 weight 0.10000E+01 volume 0.20659E-02 ppm1 1.247 ppm2 0.957 CV 1
ASSI { 2746}
( segid "PAH2" and resid 35 and name HD1%)
(( segid "MAD1" and resid 206 and name HA ))
3.200 1.300 1.300 peak 2746 weight 0.10000E+01 volume 0.82196E-03 ppm1 0.415 ppm2 3.934 CV 1
ASSI { 2755}
( segid "PAH2" and resid 22 and name HD1%)
(( segid "PAH2" and resid 22 and name HG ))
1.900 0.500 0.500 peak 2755 weight 0.10000E+01 volume 0.18123E-01 ppm1 0.901 ppm2 1.860 CV 1
OR { 2755}
( segid "PAH2" and resid 22 and name HD1%)
(( segid "PAH2" and resid 22 and name HB2 ))
ASSI { 314}
(( segid "PAH2" and resid 24 and name HD2 ))
(( segid "PAH2" and resid 24 and name HA ))
3.400 1.500 1.500 peak 314 weight 0.10000E+01 volume 0.66885E-03 ppm1 7.385 ppm2 5.217 CV 1
ASSI { 315}
(( segid "PAH2" and resid 24 and name HD2 ))
(( segid "PAH2" and resid 24 and name HB2 ))
2.800 1.000 1.000 peak 315 weight 0.10000E+01 volume 0.23606E-02 ppm1 7.385 ppm2 3.464 CV 1
ASSI { 316}
(( segid "PAH2" and resid 24 and name HD2 ))
(( segid "PAH2" and resid 24 and name HB3 ))
2.500 0.800 0.800 peak 316 weight 0.10000E+01 volume 0.47146E-02 ppm1 7.385 ppm2 3.010 CV 1
ASSI { 317}
(( segid "PAH2" and resid 24 and name HD2 ))
(( segid "PAH2" and resid 23 and name HB3 ))
2.700 0.900 0.900 peak 317 weight 0.10000E+01 volume 0.27015E-02 ppm1 7.385 ppm2 2.569 CV 1
OR { 317}
(( segid "PAH2" and resid 24 and name HD2 ))
(( segid "PAH2" and resid 23 and name HB2 ))
ASSI { 318}
(( segid "PAH2" and resid 24 and name HD2 ))
( segid "PAH2" and resid 27 and name HD1%)
3.200 1.300 1.300 peak 318 weight 0.10000E+01 volume 0.95885E-03 ppm1 7.385 ppm2 0.766 CV 1
ASSI { 319}
(( segid "PAH2" and resid 24 and name HE1 ))
(( segid "PAH2" and resid 24 and name HD2 ))
5.100 3.300 0.900 peak 319 weight 0.10000E+01 volume 0.60092E-04 ppm1 8.556 ppm2 7.373 CV 1
ASSI { 320}
(( segid "PAH2" and resid 24 and name HD2 ))
(( segid "PAH2" and resid 23 and name HN ))
3.500 1.500 1.500 peak 320 weight 0.10000E+01 volume 0.59178E-03 ppm1 7.385 ppm2 8.640 CV 1
ASSI { 321}
(( segid "PAH2" and resid 36 and name HD2 ))
(( segid "PAH2" and resid 36 and name HE1 ))
3.700 1.700 1.700 peak 321 weight 0.10000E+01 volume 0.41019E-03 ppm1 7.098 ppm2 8.354 CV 1
ASSI { 322}
(( segid "PAH2" and resid 36 and name HD2 ))
(( segid "PAH2" and resid 36 and name HN ))
3.200 1.200 1.200 peak 322 weight 0.10000E+01 volume 0.10647E-02 ppm1 7.098 ppm2 8.756 CV 1
ASSI { 323}
(( segid "PAH2" and resid 36 and name HD2 ))
(( segid "PAH2" and resid 36 and name HA ))
3.500 1.600 1.600 peak 323 weight 0.10000E+01 volume 0.53429E-03 ppm1 7.098 ppm2 4.260 CV 1
ASSI { 324}
(( segid "PAH2" and resid 36 and name HD2 ))
(( segid "PAH2" and resid 33 and name HA ))
3.000 1.100 1.100 peak 324 weight 0.10000E+01 volume 0.14239E-02 ppm1 7.098 ppm2 4.109 CV 1
ASSI { 325}
(( segid "PAH2" and resid 36 and name HD2 ))
(( segid "PAH2" and resid 36 and name HB2 ))
2.800 1.000 1.000 peak 325 weight 0.10000E+01 volume 0.21098E-02 ppm1 7.098 ppm2 3.305 CV 1
ASSI { 326}
(( segid "PAH2" and resid 36 and name HD2 ))
(( segid "PAH2" and resid 36 and name HB3 ))
2.700 0.900 0.900 peak 326 weight 0.10000E+01 volume 0.26911E-02 ppm1 7.098 ppm2 3.217 CV 1
ASSI { 327}
(( segid "PAH2" and resid 36 and name HD2 ))
(( segid "PAH2" and resid 32 and name HB3 ))
3.000 1.100 1.100 peak 327 weight 0.10000E+01 volume 0.14684E-02 ppm1 7.097 ppm2 1.758 CV 1
ASSI { 329}
(( segid "PAH2" and resid 36 and name HD2 ))
(( segid "PAH2" and resid 32 and name HB2 ))
3.100 1.200 1.200 peak 329 weight 0.10000E+01 volume 0.11222E-02 ppm1 7.098 ppm2 1.145 CV 1
ASSI { 330}
(( segid "PAH2" and resid 36 and name HD2 ))
( segid "MAD1" and resid 206 and name HD2%)
2.500 2.500 3.500 peak 330 weight 0.10000E+01 volume 0.40353E-02 ppm1 7.098 ppm2 0.630 CV 1
ASSI { 331}
(( segid "PAH2" and resid 36 and name HD2 ))
( segid "MAD1" and resid 206 and name HD1%)
2.700 0.900 0.900 peak 331 weight 0.10000E+01 volume 0.26911E-02 ppm1 7.098 ppm2 0.517 CV 1
ASSI { 332}
(( segid "PAH2" and resid 36 and name HE1 ))
(( segid "PAH2" and resid 40 and name HG3 ))
4.000 2.000 2.000 peak 332 weight 0.10000E+01 volume 0.24690E-03 ppm1 8.355 ppm2 1.472 CV 1
OR { 332}
(( segid "PAH2" and resid 36 and name HE1 ))
(( segid "PAH2" and resid 40 and name HG2 ))
ASSI { 333}
(( segid "PAH2" and resid 36 and name HE1 ))
( segid "MAD1" and resid 206 and name HD2%)
2.800 2.800 3.200 peak 333 weight 0.10000E+01 volume 0.21907E-02 ppm1 8.355 ppm2 0.618 CV 1
ASSI { 334}
(( segid "PAH2" and resid 36 and name HE1 ))
( segid "MAD1" and resid 206 and name HD1%)
2.800 1.000 1.000 peak 334 weight 0.10000E+01 volume 0.22403E-02 ppm1 8.355 ppm2 0.505 CV 1
ASSI { 335}
(( segid "PAH2" and resid 44 and name HD2 ))
(( segid "PAH2" and resid 44 and name HA ))
3.200 1.300 1.300 peak 335 weight 0.10000E+01 volume 0.94841E-03 ppm1 7.072 ppm2 4.686 CV 1
ASSI { 336}
(( segid "PAH2" and resid 44 and name HD2 ))
(( segid "PAH2" and resid 43 and name HA ))
3.400 1.500 1.500 peak 336 weight 0.10000E+01 volume 0.65709E-03 ppm1 7.072 ppm2 4.249 CV 1
ASSI { 337}
(( segid "PAH2" and resid 44 and name HD2 ))
(( segid "PAH2" and resid 44 and name HB3 ))
2.400 2.400 3.600 peak 337 weight 0.10000E+01 volume 0.60013E-02 ppm1 7.072 ppm2 3.135 CV 1
OR { 337}
(( segid "PAH2" and resid 44 and name HD2 ))
(( segid "PAH2" and resid 44 and name HB2 ))
ASSI { 339}
(( segid "PAH2" and resid 44 and name HD2 ))
(( segid "PAH2" and resid 43 and name HB2 ))
3.100 1.200 1.200 peak 339 weight 0.10000E+01 volume 0.11157E-02 ppm1 7.072 ppm2 1.697 CV 1
ASSI { 340}
( segid "PAH2" and resid 13 and name HD% )
( segid "PAH2" and resid 13 and name HE% )
2.000 0.500 0.500 peak 340 weight 0.10000E+01 volume 0.17427E-01 ppm1 7.007 ppm2 6.833 CV 1
ASSI { 343}
( segid "PAH2" and resid 13 and name HD% )
(( segid "PAH2" and resid 13 and name HN ))
3.100 3.100 2.900 peak 343 weight 0.10000E+01 volume 0.12972E-02 ppm1 7.007 ppm2 8.148 CV 1
ASSI { 347}
( segid "PAH2" and resid 13 and name HD% )
(( segid "PAH2" and resid 13 and name HB2 ))
2.400 0.700 0.700 peak 347 weight 0.10000E+01 volume 0.55337E-02 ppm1 7.007 ppm2 3.495 CV 1
ASSI { 348}
( segid "PAH2" and resid 13 and name HD% )
(( segid "PAH2" and resid 13 and name HB3 ))
2.300 0.700 0.700 peak 348 weight 0.10000E+01 volume 0.74788E-02 ppm1 7.007 ppm2 2.874 CV 1
ASSI { 349}
( segid "PAH2" and resid 13 and name HD% )
(( segid "PAH2" and resid 75 and name HB2 ))
2.600 0.900 0.900 peak 349 weight 0.10000E+01 volume 0.32188E-02 ppm1 7.007 ppm2 2.056 CV 1
ASSI { 350}
( segid "PAH2" and resid 13 and name HD% )
(( segid "PAH2" and resid 75 and name HB3 ))
2.600 0.800 0.800 peak 350 weight 0.10000E+01 volume 0.37505E-02 ppm1 7.007 ppm2 1.931 CV 1
ASSI { 351}
( segid "PAH2" and resid 13 and name HD% )
(( segid "PAH2" and resid 16 and name HD3 ))
3.000 1.100 1.100 peak 351 weight 0.10000E+01 volume 0.15885E-02 ppm1 7.007 ppm2 1.671 CV 1
OR { 351}
( segid "PAH2" and resid 13 and name HD% )
(( segid "PAH2" and resid 16 and name HD2 ))
ASSI { 352}
( segid "PAH2" and resid 13 and name HD% )
( segid "PAH2" and resid 14 and name HG2%)
2.800 1.000 1.000 peak 352 weight 0.10000E+01 volume 0.22391E-02 ppm1 7.007 ppm2 1.249 CV 1
ASSI { 353}
( segid "PAH2" and resid 13 and name HD% )
( segid "MAD1" and resid 205 and name HD1%)
2.800 1.000 1.000 peak 353 weight 0.10000E+01 volume 0.20549E-02 ppm1 7.007 ppm2 0.864 CV 1
ASSI { 355}
( segid "PAH2" and resid 13 and name HD% )
( segid "MAD1" and resid 205 and name HD2%)
2.300 0.700 0.700 peak 355 weight 0.10000E+01 volume 0.66676E-02 ppm1 7.007 ppm2 0.207 CV 1
ASSI { 357}
( segid "PAH2" and resid 13 and name HE% )
( segid "PAH2" and resid 66 and name HE% )
3.000 1.100 1.100 peak 357 weight 0.10000E+01 volume 0.14487E-02 ppm1 6.825 ppm2 6.656 CV 1
OR { 357}
( segid "PAH2" and resid 13 and name HE% )
( segid "PAH2" and resid 66 and name HD% )
ASSI { 360}
( segid "PAH2" and resid 13 and name HE% )
( segid "PAH2" and resid 76 and name HD% )
2.900 2.900 3.100 peak 360 weight 0.10000E+01 volume 0.16761E-02 ppm1 6.825 ppm2 7.395 CV 1
ASSI { 365}
( segid "PAH2" and resid 13 and name HE% )
(( segid "PAH2" and resid 75 and name HB2 ))
2.600 0.900 0.900 peak 365 weight 0.10000E+01 volume 0.31587E-02 ppm1 6.825 ppm2 2.102 CV 1
ASSI { 366}
( segid "PAH2" and resid 13 and name HE% )
(( segid "PAH2" and resid 75 and name HB3 ))
2.800 1.000 1.000 peak 366 weight 0.10000E+01 volume 0.20758E-02 ppm1 6.825 ppm2 1.930 CV 1
ASSI { 367}
( segid "PAH2" and resid 13 and name HE% )
(( segid "PAH2" and resid 72 and name HB3 ))
3.400 1.500 1.500 peak 367 weight 0.10000E+01 volume 0.65448E-03 ppm1 6.825 ppm2 1.683 CV 1
ASSI { 369}
( segid "PAH2" and resid 13 and name HE% )
( segid "MAD1" and resid 205 and name HD1%)
3.400 1.500 1.500 peak 369 weight 0.10000E+01 volume 0.67538E-03 ppm1 6.825 ppm2 0.883 CV 1
ASSI { 371}
( segid "PAH2" and resid 13 and name HE% )
( segid "MAD1" and resid 205 and name HD2%)
3.200 1.300 1.300 peak 371 weight 0.10000E+01 volume 0.93926E-03 ppm1 6.825 ppm2 0.206 CV 1
ASSI { 372}
( segid "PAH2" and resid 13 and name HE% )
( segid "PAH2" and resid 17 and name HD1%)
3.100 1.200 1.200 peak 372 weight 0.10000E+01 volume 0.12646E-02 ppm1 6.825 ppm2 0.022 CV 1
ASSI { 373}
( segid "PAH2" and resid 28 and name HD% )
(( segid "PAH2" and resid 29 and name HN ))
2.800 0.900 0.900 peak 373 weight 0.10000E+01 volume 0.24115E-02 ppm1 7.048 ppm2 8.322 CV 1
ASSI { 375}
( segid "PAH2" and resid 28 and name HD% )
( segid "PAH2" and resid 28 and name HE% )
1.800 0.400 0.400 peak 375 weight 0.10000E+01 volume 0.26506E-01 ppm1 7.048 ppm2 6.752 CV 1
ASSI { 377}
( segid "PAH2" and resid 28 and name HD% )
(( segid "PAH2" and resid 29 and name HA ))
3.900 1.900 1.900 peak 377 weight 0.10000E+01 volume 0.32006E-03 ppm1 7.048 ppm2 3.770 CV 1
ASSI { 378}
( segid "PAH2" and resid 28 and name HD% )
(( segid "PAH2" and resid 28 and name HB2 ))
2.200 0.600 0.600 peak 378 weight 0.10000E+01 volume 0.10012E-01 ppm1 7.048 ppm2 3.270 CV 1
ASSI { 379}
( segid "PAH2" and resid 28 and name HD% )
(( segid "PAH2" and resid 28 and name HB3 ))
2.000 0.500 0.500 peak 379 weight 0.10000E+01 volume 0.15872E-01 ppm1 7.048 ppm2 3.152 CV 1
ASSI { 381}
( segid "PAH2" and resid 28 and name HD% )
(( segid "PAH2" and resid 17 and name HB ))
3.000 1.100 1.100 peak 381 weight 0.10000E+01 volume 0.14591E-02 ppm1 7.048 ppm2 1.881 CV 1
ASSI { 382}
( segid "PAH2" and resid 28 and name HD% )
(( segid "PAH2" and resid 29 and name HG3 ))
3.300 1.400 1.400 peak 382 weight 0.10000E+01 volume 0.75637E-03 ppm1 7.048 ppm2 1.663 CV 1
ASSI { 385}
( segid "PAH2" and resid 28 and name HD% )
( segid "PAH2" and resid 17 and name HG2%)
2.100 0.500 0.500 peak 385 weight 0.10000E+01 volume 0.12520E-01 ppm1 7.048 ppm2 0.816 CV 1
ASSI { 386}
( segid "PAH2" and resid 28 and name HD% )
( segid "PAH2" and resid 32 and name HD1%)
2.700 0.900 0.900 peak 386 weight 0.10000E+01 volume 0.28060E-02 ppm1 7.048 ppm2 0.613 CV 1
ASSI { 390}
( segid "PAH2" and resid 28 and name HE% )
(( segid "PAH2" and resid 18 and name HE3 ))
3.000 1.100 1.100 peak 390 weight 0.10000E+01 volume 0.13716E-02 ppm1 6.753 ppm2 2.813 CV 1
OR { 390}
( segid "PAH2" and resid 28 and name HE% )
(( segid "PAH2" and resid 18 and name HE2 ))
ASSI { 393}
( segid "PAH2" and resid 28 and name HE% )
( segid "PAH2" and resid 14 and name HG1%)
2.300 0.700 0.700 peak 393 weight 0.10000E+01 volume 0.75246E-02 ppm1 6.751 ppm2 1.196 CV 1
ASSI { 394}
( segid "PAH2" and resid 28 and name HE% )
( segid "PAH2" and resid 17 and name HG2%)
2.900 1.000 1.000 peak 394 weight 0.10000E+01 volume 0.18041E-02 ppm1 6.753 ppm2 0.815 CV 1
ASSI { 395}
( segid "PAH2" and resid 28 and name HE% )
( segid "PAH2" and resid 32 and name HD1%)
2.400 0.700 0.700 peak 395 weight 0.10000E+01 volume 0.52071E-02 ppm1 6.750 ppm2 0.620 CV 1
ASSI { 396}
( segid "PAH2" and resid 38 and name HD% )
(( segid "PAH2" and resid 39 and name HN ))
2.900 1.100 1.100 peak 396 weight 0.10000E+01 volume 0.16538E-02 ppm1 6.968 ppm2 8.392 CV 1
ASSI { 398}
( segid "PAH2" and resid 38 and name HD% )
( segid "PAH2" and resid 38 and name HE% )
1.900 0.400 0.400 peak 398 weight 0.10000E+01 volume 0.25918E-01 ppm1 6.968 ppm2 6.747 CV 1
ASSI { 399}
( segid "PAH2" and resid 38 and name HD% )
(( segid "PAH2" and resid 38 and name HA ))
2.400 0.700 0.700 peak 399 weight 0.10000E+01 volume 0.55846E-02 ppm1 6.968 ppm2 4.141 CV 1
ASSI { 400}
( segid "PAH2" and resid 38 and name HD% )
(( segid "PAH2" and resid 39 and name HA ))
2.700 0.900 0.900 peak 400 weight 0.10000E+01 volume 0.24755E-02 ppm1 6.968 ppm2 3.873 CV 1
ASSI { 401}
( segid "PAH2" and resid 38 and name HD% )
(( segid "PAH2" and resid 38 and name HB3 ))
2.100 0.600 0.600 peak 401 weight 0.10000E+01 volume 0.10833E-01 ppm1 6.968 ppm2 3.180 CV 1
OR { 401}
( segid "PAH2" and resid 38 and name HD% )
(( segid "PAH2" and resid 38 and name HB2 ))
ASSI { 402}
( segid "PAH2" and resid 38 and name HD% )
(( segid "PAH2" and resid 53 and name HG3 ))
3.200 1.200 1.200 peak 402 weight 0.10000E+01 volume 0.10738E-02 ppm1 6.968 ppm2 2.712 CV 1
ASSI { 403}
( segid "PAH2" and resid 38 and name HD% )
(( segid "PAH2" and resid 39 and name HG2 ))
3.200 3.200 2.800 peak 403 weight 0.10000E+01 volume 0.10712E-02 ppm1 6.968 ppm2 2.387 CV 1
OR { 403}
( segid "PAH2" and resid 38 and name HD% )
(( segid "PAH2" and resid 39 and name HG3 ))
ASSI { 405}
( segid "PAH2" and resid 38 and name HD% )
( segid "MAD1" and resid 202 and name HG2%)
2.600 0.800 0.800 peak 405 weight 0.10000E+01 volume 0.33665E-02 ppm1 6.968 ppm2 0.994 CV 1
ASSI { 406}
( segid "PAH2" and resid 38 and name HD% )
( segid "PAH2" and resid 58 and name HG2%)
2.300 0.700 0.700 peak 406 weight 0.10000E+01 volume 0.72855E-02 ppm1 6.968 ppm2 0.838 CV 1
ASSI { 407}
( segid "PAH2" and resid 38 and name HD% )
( segid "MAD1" and resid 206 and name HD2%)
2.600 0.900 0.900 peak 407 weight 0.10000E+01 volume 0.31888E-02 ppm1 6.968 ppm2 0.598 CV 1
ASSI { 409}
( segid "PAH2" and resid 38 and name HE% )
(( segid "PAH2" and resid 39 and name HA ))
3.100 1.200 1.200 peak 409 weight 0.10000E+01 volume 0.11052E-02 ppm1 6.741 ppm2 3.859 CV 1
ASSI { 410}
( segid "PAH2" and resid 38 and name HE% )
(( segid "PAH2" and resid 38 and name HB3 ))
3.300 1.400 1.400 peak 410 weight 0.10000E+01 volume 0.81124E-03 ppm1 6.742 ppm2 3.200 CV 1
OR { 410}
( segid "PAH2" and resid 38 and name HE% )
(( segid "PAH2" and resid 38 and name HB2 ))
ASSI { 414}
( segid "PAH2" and resid 38 and name HE% )
(( segid "MAD1" and resid 202 and name HG13))
4.400 2.500 1.600 peak 414 weight 0.10000E+01 volume 0.13977E-03 ppm1 6.742 ppm2 1.358 CV 1
ASSI { 415}
( segid "PAH2" and resid 38 and name HE% )
( segid "MAD1" and resid 202 and name HG2%)
3.200 1.300 1.300 peak 415 weight 0.10000E+01 volume 0.99021E-03 ppm1 6.742 ppm2 1.011 CV 1
ASSI { 416}
( segid "PAH2" and resid 38 and name HE% )
( segid "PAH2" and resid 58 and name HG2%)
2.800 2.800 3.200 peak 416 weight 0.10000E+01 volume 0.24324E-02 ppm1 6.742 ppm2 0.832 CV 1
ASSI { 417}
( segid "PAH2" and resid 38 and name HE% )
( segid "MAD1" and resid 206 and name HD2%)
3.000 3.000 3.000 peak 417 weight 0.10000E+01 volume 0.13207E-02 ppm1 6.742 ppm2 0.605 CV 1
ASSI { 419}
( segid "PAH2" and resid 7 and name HD% )
(( segid "PAH2" and resid 8 and name HN ))
3.700 1.700 1.700 peak 419 weight 0.10000E+01 volume 0.39974E-03 ppm1 7.219 ppm2 8.401 CV 1
ASSI { 420}
( segid "PAH2" and resid 7 and name HD% )
(( segid "PAH2" and resid 7 and name HN ))
3.300 1.400 1.400 peak 420 weight 0.10000E+01 volume 0.80601E-03 ppm1 7.221 ppm2 8.565 CV 1
ASSI { 424}
( segid "PAH2" and resid 7 and name HD% )
(( segid "PAH2" and resid 7 and name HB2 ))
2.400 0.700 0.700 peak 424 weight 0.10000E+01 volume 0.60301E-02 ppm1 7.219 ppm2 3.065 CV 1
ASSI { 426}
( segid "PAH2" and resid 7 and name HD% )
(( segid "MAD1" and resid 207 and name HG2 ))
3.400 1.400 1.400 peak 426 weight 0.10000E+01 volume 0.70935E-03 ppm1 7.219 ppm2 2.672 CV 1
OR { 426}
( segid "PAH2" and resid 7 and name HD% )
(( segid "MAD1" and resid 207 and name HG3 ))
ASSI { 428}
( segid "PAH2" and resid 7 and name HD% )
( segid "PAH2" and resid 10 and name HB% )
3.200 1.300 1.300 peak 428 weight 0.10000E+01 volume 0.10176E-02 ppm1 7.221 ppm2 1.430 CV 1
ASSI { 431}
( segid "PAH2" and resid 21 and name HD% )
(( segid "PAH2" and resid 21 and name HA ))
2.400 0.700 0.700 peak 431 weight 0.10000E+01 volume 0.53546E-02 ppm1 7.302 ppm2 5.012 CV 1
ASSI { 433}
( segid "PAH2" and resid 21 and name HD% )
(( segid "PAH2" and resid 24 and name HB2 ))
3.400 1.500 1.500 peak 433 weight 0.10000E+01 volume 0.64794E-03 ppm1 7.303 ppm2 3.446 CV 1
ASSI { 436}
( segid "PAH2" and resid 21 and name HD% )
(( segid "PAH2" and resid 27 and name HG13))
3.000 1.100 1.100 peak 436 weight 0.10000E+01 volume 0.15545E-02 ppm1 7.303 ppm2 1.529 CV 1
ASSI { 439}
( segid "PAH2" and resid 21 and name HE% )
( segid "PAH2" and resid 21 and name HD% )
2.100 0.600 0.600 peak 439 weight 0.10000E+01 volume 0.12391E-01 ppm1 6.890 ppm2 7.292 CV 1
ASSI { 440}
( segid "PAH2" and resid 21 and name HE% )
(( segid "PAH2" and resid 21 and name HB3 ))
4.500 2.600 1.500 peak 440 weight 0.10000E+01 volume 0.12149E-03 ppm1 6.885 ppm2 3.900 CV 1
ASSI { 441}
( segid "PAH2" and resid 21 and name HE% )
(( segid "PAH2" and resid 69 and name HG3 ))
4.100 2.100 1.900 peak 441 weight 0.10000E+01 volume 0.22731E-03 ppm1 6.885 ppm2 2.274 CV 1
OR { 441}
( segid "PAH2" and resid 21 and name HE% )
(( segid "PAH2" and resid 69 and name HG2 ))
ASSI { 442}
( segid "PAH2" and resid 21 and name HE% )
( segid "PAH2" and resid 17 and name HG2%)
2.600 2.600 3.400 peak 442 weight 0.10000E+01 volume 0.35284E-02 ppm1 6.887 ppm2 0.803 CV 1
ASSI { 447}
( segid "PAH2" and resid 21 and name HE% )
(( segid "PAH2" and resid 20 and name HG2 ))
3.100 3.100 2.900 peak 447 weight 0.10000E+01 volume 0.11483E-02 ppm1 6.890 ppm2 0.447 CV 1
ASSI { 450}
( segid "PAH2" and resid 31 and name HD% )
(( segid "PAH2" and resid 31 and name HN ))
3.400 1.400 1.400 peak 450 weight 0.10000E+01 volume 0.73678E-03 ppm1 6.838 ppm2 8.120 CV 1
ASSI { 466}
( segid "PAH2" and resid 66 and name HE% )
(( segid "PAH2" and resid 66 and name HZ ))
4.100 2.100 1.900 peak 466 weight 0.10000E+01 volume 0.23906E-03 ppm1 6.682 ppm2 6.022 CV 1
ASSI { 470}
( segid "PAH2" and resid 66 and name HE% )
( segid "PAH2" and resid 62 and name HG1%)
4.000 2.000 2.000 peak 470 weight 0.10000E+01 volume 0.26780E-03 ppm1 6.682 ppm2 -0.203 CV 1
ASSI { 472}
( segid "PAH2" and resid 66 and name HD% )
(( segid "PAH2" and resid 66 and name HA ))
2.500 0.800 0.800 peak 472 weight 0.10000E+01 volume 0.40536E-02 ppm1 6.603 ppm2 4.909 CV 1
ASSI { 474}
( segid "PAH2" and resid 66 and name HD% )
(( segid "PAH2" and resid 66 and name HB2 ))
3.300 1.300 1.300 peak 474 weight 0.10000E+01 volume 0.84782E-03 ppm1 6.603 ppm2 3.710 CV 1
ASSI { 475}
( segid "PAH2" and resid 66 and name HD% )
(( segid "PAH2" and resid 66 and name HB3 ))
2.800 1.000 1.000 peak 475 weight 0.10000E+01 volume 0.21163E-02 ppm1 6.603 ppm2 2.949 CV 1
ASSI { 477}
( segid "PAH2" and resid 66 and name HD% )
(( segid "PAH2" and resid 72 and name HB3 ))
3.200 1.300 1.300 peak 477 weight 0.10000E+01 volume 0.94710E-03 ppm1 6.603 ppm2 1.634 CV 1
ASSI { 478}
( segid "PAH2" and resid 66 and name HD% )
(( segid "PAH2" and resid 65 and name HB3 ))
4.000 2.000 2.000 peak 478 weight 0.10000E+01 volume 0.25213E-03 ppm1 6.603 ppm2 1.373 CV 1
ASSI { 481}
( segid "PAH2" and resid 66 and name HD% )
( segid "PAH2" and resid 27 and name HG2%)
3.100 1.200 1.200 peak 481 weight 0.10000E+01 volume 0.12371E-02 ppm1 6.603 ppm2 -0.004 CV 1
ASSI { 483}
( segid "PAH2" and resid 76 and name HD% )
( segid "PAH2" and resid 76 and name HE% )
2.000 0.500 0.500 peak 483 weight 0.10000E+01 volume 0.18119E-01 ppm1 7.379 ppm2 7.088 CV 1
ASSI { 486}
( segid "PAH2" and resid 76 and name HD% )
(( segid "PAH2" and resid 76 and name HB2 ))
2.500 0.800 0.800 peak 486 weight 0.10000E+01 volume 0.45134E-02 ppm1 7.379 ppm2 4.096 CV 1
ASSI { 487}
( segid "PAH2" and resid 76 and name HD% )
(( segid "PAH2" and resid 76 and name HB3 ))
2.500 0.800 0.800 peak 487 weight 0.10000E+01 volume 0.47198E-02 ppm1 7.379 ppm2 3.308 CV 1
ASSI { 488}
( segid "PAH2" and resid 76 and name HD% )
( segid "MAD1" and resid 205 and name HD1%)
2.500 0.800 0.800 peak 488 weight 0.10000E+01 volume 0.48413E-02 ppm1 7.379 ppm2 0.871 CV 1
ASSI { 489}
( segid "PAH2" and resid 76 and name HD% )
( segid "PAH2" and resid 80 and name HD1%)
3.100 1.200 1.200 peak 489 weight 0.10000E+01 volume 0.10960E-02 ppm1 7.379 ppm2 0.699 CV 1
OR { 489}
( segid "PAH2" and resid 76 and name HD% )
( segid "PAH2" and resid 80 and name HD2%)
ASSI { 490}
( segid "PAH2" and resid 76 and name HD% )
( segid "MAD1" and resid 202 and name HD1%)
3.300 1.400 1.400 peak 490 weight 0.10000E+01 volume 0.75767E-03 ppm1 7.379 ppm2 0.588 CV 1
ASSI { 493}
( segid "PAH2" and resid 76 and name HE% )
(( segid "PAH2" and resid 76 and name HZ ))
2.300 0.700 0.700 peak 493 weight 0.10000E+01 volume 0.73103E-02 ppm1 7.091 ppm2 6.847 CV 1
ASSI { 496}
( segid "PAH2" and resid 76 and name HE% )
( segid "MAD1" and resid 205 and name HD1%)
2.300 0.700 0.700 peak 496 weight 0.10000E+01 volume 0.64585E-02 ppm1 7.090 ppm2 0.859 CV 1
ASSI { 497}
( segid "PAH2" and resid 76 and name HE% )
( segid "PAH2" and resid 80 and name HD1%)
2.400 0.700 0.700 peak 497 weight 0.10000E+01 volume 0.55441E-02 ppm1 7.090 ppm2 0.711 CV 1
OR { 497}
( segid "PAH2" and resid 76 and name HE% )
( segid "PAH2" and resid 80 and name HD2%)
ASSI { 498}
( segid "PAH2" and resid 76 and name HE% )
( segid "MAD1" and resid 202 and name HD1%)
2.400 0.700 0.700 peak 498 weight 0.10000E+01 volume 0.59713E-02 ppm1 7.090 ppm2 0.576 CV 1
ASSI { 504}
(( segid "PAH2" and resid 76 and name HZ ))
( segid "PAH2" and resid 76 and name HD% )
4.700 2.700 1.300 peak 504 weight 0.10000E+01 volume 0.10320E-03 ppm1 6.828 ppm2 7.382 CV 1
ASSI { 506}
(( segid "PAH2" and resid 76 and name HZ ))
( segid "MAD1" and resid 202 and name HD1%)
2.600 0.900 0.900 peak 506 weight 0.10000E+01 volume 0.33586E-02 ppm1 6.828 ppm2 0.588 CV 1
ASSI { 508}
( segid "PAH2" and resid 79 and name HD% )
(( segid "MAD1" and resid 201 and name HA ))
4.300 2.300 1.700 peak 508 weight 0.10000E+01 volume 0.16459E-03 ppm1 7.158 ppm2 5.317 CV 1
ASSI { 510}
( segid "PAH2" and resid 79 and name HD% )
(( segid "PAH2" and resid 79 and name HB3 ))
2.500 0.800 0.800 peak 510 weight 0.10000E+01 volume 0.41633E-02 ppm1 7.158 ppm2 3.033 CV 1
ASSI { 2}
(( segid "MAD1" and resid 204 and name HA ))
(( segid "MAD1" and resid 208 and name HN ))
4.400 2.400 1.600 peak 2 weight 0.10000E+01 volume 0.14560E-03 ppm1 4.324 ppm2 8.839 CV 1
ASSI { 3}
(( segid "MAD1" and resid 208 and name HA ))
(( segid "MAD1" and resid 208 and name HN ))
2.800 1.000 1.000 peak 3 weight 0.10000E+01 volume 0.21411E-02 ppm1 4.109 ppm2 8.839 CV 1
ASSI { 5}
(( segid "MAD1" and resid 207 and name HB3 ))
(( segid "MAD1" and resid 208 and name HN ))
2.900 1.000 1.000 peak 5 weight 0.10000E+01 volume 0.17605E-02 ppm1 2.392 ppm2 8.839 CV 1
ASSI { 6}
( segid "MAD1" and resid 208 and name HB% )
(( segid "MAD1" and resid 208 and name HN ))
2.300 0.700 0.700 peak 6 weight 0.10000E+01 volume 0.65857E-02 ppm1 1.316 ppm2 8.839 CV 1
ASSI { 7}
(( segid "MAD1" and resid 207 and name HA ))
(( segid "MAD1" and resid 208 and name HN ))
3.400 1.400 1.400 peak 7 weight 0.10000E+01 volume 0.69986E-03 ppm1 4.240 ppm2 8.839 CV 1
ASSI { 8}
(( segid "MAD1" and resid 201 and name HB3 ))
(( segid "MAD1" and resid 202 and name HN ))
3.100 1.200 1.200 peak 8 weight 0.10000E+01 volume 0.11986E-02 ppm1 3.295 ppm2 8.523 CV 1
ASSI { 9}
(( segid "MAD1" and resid 202 and name HA ))
(( segid "MAD1" and resid 202 and name HN ))
3.000 1.100 1.100 peak 9 weight 0.10000E+01 volume 0.14982E-02 ppm1 3.769 ppm2 8.523 CV 1
ASSI { 10}
(( segid "MAD1" and resid 201 and name HB2 ))
(( segid "MAD1" and resid 202 and name HN ))
3.300 1.400 1.400 peak 10 weight 0.10000E+01 volume 0.81099E-03 ppm1 3.164 ppm2 8.523 CV 1
ASSI { 11}
(( segid "MAD1" and resid 202 and name HB ))
(( segid "MAD1" and resid 202 and name HN ))
2.600 0.800 0.800 peak 11 weight 0.10000E+01 volume 0.36266E-02 ppm1 2.095 ppm2 8.523 CV 1
ASSI { 12}
(( segid "MAD1" and resid 202 and name HG12))
(( segid "MAD1" and resid 202 and name HN ))
3.500 1.600 1.600 peak 12 weight 0.10000E+01 volume 0.52120E-03 ppm1 1.347 ppm2 8.523 CV 1
ASSI { 13}
( segid "MAD1" and resid 202 and name HG2%)
(( segid "MAD1" and resid 202 and name HN ))
3.200 1.300 1.300 peak 13 weight 0.10000E+01 volume 0.91721E-03 ppm1 0.998 ppm2 8.523 CV 1
ASSI { 14}
( segid "MAD1" and resid 202 and name HD1%)
(( segid "MAD1" and resid 202 and name HN ))
3.600 1.600 1.600 peak 14 weight 0.10000E+01 volume 0.47126E-03 ppm1 0.591 ppm2 8.523 CV 1
ASSI { 15}
(( segid "MAD1" and resid 202 and name HG13))
(( segid "MAD1" and resid 202 and name HN ))
3.200 1.300 1.300 peak 15 weight 0.10000E+01 volume 0.94464E-03 ppm1 1.639 ppm2 8.523 CV 1
ASSI { 16}
(( segid "MAD1" and resid 207 and name HA ))
(( segid "MAD1" and resid 207 and name HN ))
2.700 0.900 0.900 peak 16 weight 0.10000E+01 volume 0.28494E-02 ppm1 4.240 ppm2 8.462 CV 1
ASSI { 17}
(( segid "MAD1" and resid 209 and name HA ))
(( segid "MAD1" and resid 209 and name HN ))
2.600 0.900 0.900 peak 17 weight 0.10000E+01 volume 0.30520E-02 ppm1 4.151 ppm2 8.458 CV 1
ASSI { 19}
(( segid "MAD1" and resid 207 and name HG3 ))
(( segid "MAD1" and resid 207 and name HN ))
2.800 2.800 3.200 peak 19 weight 0.10000E+01 volume 0.20721E-02 ppm1 2.637 ppm2 8.462 CV 1
OR { 19}
(( segid "MAD1" and resid 207 and name HG2 ))
(( segid "MAD1" and resid 207 and name HN ))
ASSI { 20}
(( segid "MAD1" and resid 207 and name HB3 ))
(( segid "MAD1" and resid 207 and name HN ))
2.400 0.700 0.700 peak 20 weight 0.10000E+01 volume 0.54449E-02 ppm1 2.392 ppm2 8.462 CV 1
OR { 20}
(( segid "MAD1" and resid 207 and name HB2 ))
(( segid "MAD1" and resid 207 and name HN ))
ASSI { 22}
( segid "MAD1" and resid 209 and name HB% )
(( segid "MAD1" and resid 209 and name HN ))
2.200 0.600 0.600 peak 22 weight 0.10000E+01 volume 0.79904E-02 ppm1 1.663 ppm2 8.458 CV 1
ASSI { 24}
( segid "MAD1" and resid 208 and name HB% )
(( segid "MAD1" and resid 209 and name HN ))
2.500 0.800 0.800 peak 24 weight 0.10000E+01 volume 0.41542E-02 ppm1 1.316 ppm2 8.458 CV 1
ASSI { 25}
(( segid "MAD1" and resid 204 and name HA ))
(( segid "MAD1" and resid 207 and name HN ))
3.200 1.300 1.300 peak 25 weight 0.10000E+01 volume 0.10297E-02 ppm1 4.324 ppm2 8.462 CV 1
ASSI { 28}
(( segid "MAD1" and resid 202 and name HA ))
(( segid "MAD1" and resid 203 and name HN ))
3.800 1.800 1.800 peak 28 weight 0.10000E+01 volume 0.33552E-03 ppm1 3.769 ppm2 8.415 CV 1
ASSI { 30}
(( segid "MAD1" and resid 203 and name HA ))
(( segid "MAD1" and resid 203 and name HN ))
2.600 0.800 0.800 peak 30 weight 0.10000E+01 volume 0.34522E-02 ppm1 3.963 ppm2 8.415 CV 1
ASSI { 33}
( segid "MAD1" and resid 202 and name HG2%)
(( segid "MAD1" and resid 203 and name HN ))
3.700 1.700 1.700 peak 33 weight 0.10000E+01 volume 0.43398E-03 ppm1 0.998 ppm2 8.415 CV 1
ASSI { 34}
(( segid "MAD1" and resid 211 and name HA ))
(( segid "MAD1" and resid 211 and name HN ))
2.500 0.800 0.800 peak 34 weight 0.10000E+01 volume 0.38222E-02 ppm1 4.256 ppm2 8.281 CV 1
ASSI { 35}
(( segid "MAD1" and resid 210 and name HB2 ))
(( segid "MAD1" and resid 211 and name HN ))
3.100 1.200 1.200 peak 35 weight 0.10000E+01 volume 0.11725E-02 ppm1 2.785 ppm2 8.281 CV 1
ASSI { 36}
(( segid "MAD1" and resid 210 and name HA ))
(( segid "MAD1" and resid 211 and name HN ))
3.200 1.300 1.300 peak 36 weight 0.10000E+01 volume 0.88696E-03 ppm1 4.504 ppm2 8.281 CV 1
ASSI { 37}
(( segid "MAD1" and resid 208 and name HA ))
(( segid "MAD1" and resid 211 and name HN ))
2.900 1.100 1.100 peak 37 weight 0.10000E+01 volume 0.16389E-02 ppm1 4.109 ppm2 8.281 CV 1
ASSI { 38}
(( segid "MAD1" and resid 211 and name HB2 ))
(( segid "MAD1" and resid 211 and name HN ))
2.800 1.000 1.000 peak 38 weight 0.10000E+01 volume 0.19561E-02 ppm1 3.443 ppm2 8.281 CV 1
ASSI { 39}
(( segid "MAD1" and resid 210 and name HB3 ))
(( segid "MAD1" and resid 211 and name HN ))
3.200 1.300 1.300 peak 39 weight 0.10000E+01 volume 0.10044E-02 ppm1 2.903 ppm2 8.281 CV 1
ASSI { 41}
(( segid "MAD1" and resid 210 and name HA ))
(( segid "MAD1" and resid 212 and name HN ))
5.500 3.800 0.500 peak 41 weight 0.10000E+01 volume 0.36576E-04 ppm1 4.504 ppm2 8.228 CV 1
ASSI { 42}
(( segid "MAD1" and resid 209 and name HA ))
(( segid "MAD1" and resid 212 and name HN ))
3.200 1.300 1.300 peak 42 weight 0.10000E+01 volume 0.87993E-03 ppm1 4.151 ppm2 8.228 CV 1
ASSI { 43}
(( segid "MAD1" and resid 212 and name HA ))
(( segid "MAD1" and resid 212 and name HN ))
2.700 0.900 0.900 peak 43 weight 0.10000E+01 volume 0.28297E-02 ppm1 4.031 ppm2 8.228 CV 1
ASSI { 44}
(( segid "MAD1" and resid 211 and name HB2 ))
(( segid "MAD1" and resid 212 and name HN ))
3.800 1.800 1.800 peak 44 weight 0.10000E+01 volume 0.36365E-03 ppm1 3.443 ppm2 8.228 CV 1
ASSI { 46}
( segid "MAD1" and resid 212 and name HD2%)
(( segid "MAD1" and resid 212 and name HN ))
2.600 0.900 0.900 peak 46 weight 0.10000E+01 volume 0.31188E-02 ppm1 0.958 ppm2 8.228 CV 1
OR { 46}
( segid "MAD1" and resid 212 and name HD1%)
(( segid "MAD1" and resid 212 and name HN ))
ASSI { 47}
(( segid "MAD1" and resid 204 and name HA ))
(( segid "MAD1" and resid 204 and name HN ))
2.700 0.900 0.900 peak 47 weight 0.10000E+01 volume 0.28571E-02 ppm1 4.324 ppm2 8.213 CV 1
ASSI { 53}
(( segid "MAD1" and resid 210 and name HA ))
(( segid "MAD1" and resid 210 and name HN ))
2.500 0.800 0.800 peak 53 weight 0.10000E+01 volume 0.42133E-02 ppm1 4.504 ppm2 8.071 CV 1
ASSI { 55}
(( segid "MAD1" and resid 209 and name HA ))
(( segid "MAD1" and resid 210 and name HN ))
3.300 1.300 1.300 peak 55 weight 0.10000E+01 volume 0.82366E-03 ppm1 4.151 ppm2 8.071 CV 1
ASSI { 57}
(( segid "MAD1" and resid 210 and name HB3 ))
(( segid "MAD1" and resid 210 and name HN ))
2.400 0.700 0.700 peak 57 weight 0.10000E+01 volume 0.49603E-02 ppm1 2.903 ppm2 8.071 CV 1
ASSI { 58}
(( segid "MAD1" and resid 210 and name HB2 ))
(( segid "MAD1" and resid 210 and name HN ))
2.600 0.900 0.900 peak 58 weight 0.10000E+01 volume 0.31194E-02 ppm1 2.785 ppm2 8.071 CV 1
ASSI { 59}
( segid "MAD1" and resid 209 and name HB% )
(( segid "MAD1" and resid 210 and name HN ))
2.500 0.800 0.800 peak 59 weight 0.10000E+01 volume 0.42209E-02 ppm1 1.663 ppm2 8.071 CV 1
ASSI { 61}
(( segid "MAD1" and resid 207 and name HG2 ))
(( segid "MAD1" and resid 203 and name HE22))
3.900 1.900 1.900 peak 61 weight 0.10000E+01 volume 0.31582E-03 ppm1 2.637 ppm2 7.863 CV 1
OR { 61}
(( segid "MAD1" and resid 207 and name HG3 ))
(( segid "MAD1" and resid 203 and name HE22))
ASSI { 69}
( segid "MAD1" and resid 206 and name HD2%)
(( segid "MAD1" and resid 206 and name HN ))
3.100 1.200 1.200 peak 69 weight 0.10000E+01 volume 0.12618E-02 ppm1 0.612 ppm2 7.775 CV 1
ASSI { 70}
( segid "MAD1" and resid 206 and name HD1%)
(( segid "MAD1" and resid 206 and name HN ))
3.200 1.300 1.300 peak 70 weight 0.10000E+01 volume 0.97488E-03 ppm1 0.497 ppm2 7.775 CV 1
ASSI { 71}
(( segid "MAD1" and resid 213 and name HA ))
(( segid "MAD1" and resid 213 and name HN ))
2.500 0.800 0.800 peak 71 weight 0.10000E+01 volume 0.43398E-02 ppm1 4.177 ppm2 7.720 CV 1
ASSI { 72}
(( segid "MAD1" and resid 212 and name HA ))
(( segid "MAD1" and resid 213 and name HN ))
3.100 1.200 1.200 peak 72 weight 0.10000E+01 volume 0.12007E-02 ppm1 4.031 ppm2 7.720 CV 1
ASSI { 78}
(( segid "MAD1" and resid 210 and name HA ))
(( segid "MAD1" and resid 213 and name HN ))
3.000 1.200 1.200 peak 78 weight 0.10000E+01 volume 0.12998E-02 ppm1 4.504 ppm2 7.720 CV 1
ASSI { 80}
(( segid "MAD1" and resid 201 and name HB3 ))
(( segid "MAD1" and resid 201 and name HD21))
3.700 1.700 1.700 peak 80 weight 0.10000E+01 volume 0.43539E-03 ppm1 3.295 ppm2 7.685 CV 1
ASSI { 81}
(( segid "MAD1" and resid 201 and name HB2 ))
(( segid "MAD1" and resid 201 and name HD21))
3.100 1.200 1.200 peak 81 weight 0.10000E+01 volume 0.12499E-02 ppm1 3.164 ppm2 7.685 CV 1
ASSI { 83}
(( segid "MAD1" and resid 205 and name HA ))
(( segid "MAD1" and resid 205 and name HN ))
2.700 0.900 0.900 peak 83 weight 0.10000E+01 volume 0.25793E-02 ppm1 3.945 ppm2 7.652 CV 1
ASSI { 85}
(( segid "MAD1" and resid 204 and name HA ))
(( segid "MAD1" and resid 205 and name HN ))
3.500 1.500 1.500 peak 85 weight 0.10000E+01 volume 0.56200E-03 ppm1 4.324 ppm2 7.652 CV 1
ASSI { 86}
(( segid "MAD1" and resid 202 and name HA ))
(( segid "MAD1" and resid 205 and name HN ))
3.100 1.200 1.200 peak 86 weight 0.10000E+01 volume 0.11416E-02 ppm1 3.769 ppm2 7.652 CV 1
ASSI { 91}
( segid "MAD1" and resid 205 and name HD1%)
(( segid "MAD1" and resid 205 and name HN ))
3.300 1.300 1.300 peak 91 weight 0.10000E+01 volume 0.87148E-03 ppm1 0.868 ppm2 7.652 CV 1
ASSI { 97}
(( segid "MAD1" and resid 211 and name HA ))
( segid "MAD1" and resid 211 and name HD% )
2.400 0.700 0.700 peak 97 weight 0.10000E+01 volume 0.48892E-02 ppm1 4.256 ppm2 7.155 CV 1
ASSI { 98}
(( segid "MAD1" and resid 211 and name HB2 ))
( segid "MAD1" and resid 211 and name HD% )
2.400 0.700 0.700 peak 98 weight 0.10000E+01 volume 0.49082E-02 ppm1 3.443 ppm2 7.155 CV 1
ASSI { 99}
( segid "MAD1" and resid 212 and name HD2%)
( segid "MAD1" and resid 211 and name HD% )
2.400 0.700 0.700 peak 99 weight 0.10000E+01 volume 0.58746E-02 ppm1 0.958 ppm2 7.155 CV 1
ASSI { 100}
(( segid "MAD1" and resid 212 and name HA ))
( segid "MAD1" and resid 211 and name HD% )
2.900 1.000 1.000 peak 100 weight 0.10000E+01 volume 0.18477E-02 ppm1 4.031 ppm2 7.155 CV 1
ASSI { 110}
(( segid "MAD1" and resid 201 and name HB2 ))
(( segid "MAD1" and resid 201 and name HD22))
3.800 1.800 1.800 peak 110 weight 0.10000E+01 volume 0.34887E-03 ppm1 3.164 ppm2 6.963 CV 1
ASSI { 113}
( segid "MAD1" and resid 212 and name HD2%)
( segid "MAD1" and resid 211 and name HE% )
2.600 0.900 0.900 peak 113 weight 0.10000E+01 volume 0.30858E-02 ppm1 0.958 ppm2 6.887 CV 1
ASSI { 114}
(( segid "MAD1" and resid 211 and name HA ))
( segid "MAD1" and resid 211 and name HE% )
3.300 1.400 1.400 peak 114 weight 0.10000E+01 volume 0.73715E-03 ppm1 4.256 ppm2 6.887 CV 1
ASSI { 115}
(( segid "MAD1" and resid 211 and name HB2 ))
( segid "MAD1" and resid 211 and name HE% )
3.500 1.500 1.500 peak 115 weight 0.10000E+01 volume 0.56904E-03 ppm1 3.443 ppm2 6.887 CV 1
ASSI { 119}
(( segid "MAD1" and resid 201 and name HA ))
(( segid "MAD1" and resid 202 and name HN ))
2.600 0.900 0.900 peak 119 weight 0.10000E+01 volume 0.30562E-02 ppm1 5.288 ppm2 8.523 CV 1
ASSI { 121}
(( segid "MAD1" and resid 203 and name HA ))
(( segid "MAD1" and resid 204 and name HN ))
3.300 1.300 1.300 peak 121 weight 0.10000E+01 volume 0.86937E-03 ppm1 3.963 ppm2 8.213 CV 1
ASSI { 122}
(( segid "MAD1" and resid 203 and name HE21))
(( segid "MAD1" and resid 203 and name HE22))
1.700 0.400 0.500 peak 122 weight 0.10000E+01 volume 0.37328E-01 ppm1 6.832 ppm2 7.863 CV 1
ASSI { 123}
(( segid "MAD1" and resid 201 and name HD22))
(( segid "MAD1" and resid 201 and name HD21))
1.900 0.500 0.500 peak 123 weight 0.10000E+01 volume 0.18872E-01 ppm1 6.963 ppm2 7.685 CV 1
ASSI { 124}
(( segid "MAD1" and resid 210 and name HN ))
(( segid "MAD1" and resid 209 and name HN ))
2.700 0.900 0.900 peak 124 weight 0.10000E+01 volume 0.25413E-02 ppm1 8.071 ppm2 8.458 CV 1
ASSI { 125}
(( segid "MAD1" and resid 206 and name HN ))
(( segid "MAD1" and resid 207 and name HN ))
2.800 1.000 1.000 peak 125 weight 0.10000E+01 volume 0.19976E-02 ppm1 7.775 ppm2 8.462 CV 1
ASSI { 131}
( segid "MAD1" and resid 211 and name HE% )
( segid "MAD1" and resid 211 and name HD% )
1.800 0.400 0.400 peak 131 weight 0.10000E+01 volume 0.32869E-01 ppm1 6.887 ppm2 7.155 CV 1
ASSI { 133}
(( segid "MAD1" and resid 210 and name HN ))
(( segid "MAD1" and resid 211 and name HN ))
2.800 1.000 1.000 peak 133 weight 0.10000E+01 volume 0.22227E-02 ppm1 8.071 ppm2 8.281 CV 1
ASSI { 138}
(( segid "MAD1" and resid 204 and name HN ))
(( segid "MAD1" and resid 203 and name HN ))
2.800 1.000 1.000 peak 138 weight 0.10000E+01 volume 0.19948E-02 ppm1 8.213 ppm2 8.415 CV 1
ASSI { 144}
(( segid "MAD1" and resid 213 and name HN ))
(( segid "MAD1" and resid 212 and name HN ))
2.800 1.000 1.000 peak 144 weight 0.10000E+01 volume 0.22494E-02 ppm1 7.720 ppm2 8.228 CV 1
ASSI { 145}
(( segid "MAD1" and resid 205 and name HN ))
(( segid "MAD1" and resid 204 and name HN ))
2.800 1.000 1.000 peak 145 weight 0.10000E+01 volume 0.19632E-02 ppm1 7.652 ppm2 8.213 CV 1
ASSI { 155}
(( segid "MAD1" and resid 205 and name HN ))
(( segid "MAD1" and resid 206 and name HN ))
2.800 1.000 1.000 peak 155 weight 0.10000E+01 volume 0.20588E-02 ppm1 7.652 ppm2 7.775 CV 1
ASSI { 156}
( segid "MAD1" and resid 211 and name HD% )
(( segid "MAD1" and resid 211 and name HN ))
3.200 1.300 1.300 peak 156 weight 0.10000E+01 volume 0.99529E-03 ppm1 7.155 ppm2 8.281 CV 1
ASSI { 157}
( segid "MAD1" and resid 211 and name HD% )
(( segid "MAD1" and resid 212 and name HN ))
3.100 1.200 1.200 peak 157 weight 0.10000E+01 volume 0.12210E-02 ppm1 7.155 ppm2 8.228 CV 1
ASSI { 162}
(( segid "MAD1" and resid 201 and name HA ))
(( segid "MAD1" and resid 203 and name HN ))
4.700 2.800 1.300 peak 162 weight 0.10000E+01 volume 0.90032E-04 ppm1 5.288 ppm2 8.415 CV 1
ASSI { 168}
(( segid "MAD1" and resid 201 and name HA ))
(( segid "MAD1" and resid 201 and name HD21))
5.300 3.500 0.700 peak 168 weight 0.10000E+01 volume 0.47126E-04 ppm1 5.288 ppm2 7.685 CV 1
ASSI { 215}
( segid "MAD1" and resid 205 and name HD2%)
(( segid "MAD1" and resid 205 and name HN ))
3.100 1.200 1.200 peak 215 weight 0.10000E+01 volume 0.11648E-02 ppm1 0.211 ppm2 7.652 CV 1
ASSI { 410}
(( segid "MAD1" and resid 203 and name HN ))
(( segid "MAD1" and resid 202 and name HN ))
3.100 1.200 1.200 peak 410 weight 0.10000E+01 volume 0.12035E-02 ppm1 8.415 ppm2 8.523 CV 1
ASSI { 411}
(( segid "MAD1" and resid 213 and name HN ))
(( segid "MAD1" and resid 211 and name HN ))
4.700 2.800 1.300 peak 411 weight 0.10000E+01 volume 0.94253E-04 ppm1 7.720 ppm2 8.281 CV 1
ASSI { 412}
(( segid "MAD1" and resid 206 and name HN ))
(( segid "MAD1" and resid 208 and name HN ))
4.600 2.700 1.400 peak 412 weight 0.10000E+01 volume 0.10410E-03 ppm1 7.775 ppm2 8.839 CV 1
ASSI { 413}
(( segid "MAD1" and resid 210 and name HN ))
(( segid "MAD1" and resid 208 and name HN ))
5.400 3.600 0.600 peak 413 weight 0.10000E+01 volume 0.42203E-04 ppm1 8.071 ppm2 8.839 CV 1
ASSI { 415}
(( segid "MAD1" and resid 205 and name HN ))
(( segid "MAD1" and resid 207 and name HN ))
5.000 3.100 1.000 peak 415 weight 0.10000E+01 volume 0.66821E-04 ppm1 7.652 ppm2 8.462 CV 1
ASSI { 418}
(( segid "MAD1" and resid 212 and name HA ))
(( segid "MAD1" and resid 211 and name HN ))
4.600 2.700 1.400 peak 418 weight 0.10000E+01 volume 0.10480E-03 ppm1 4.031 ppm2 8.281 CV 1
ASSI { 419}
(( segid "MAD1" and resid 211 and name HA ))
(( segid "MAD1" and resid 212 and name HN ))
3.200 1.300 1.300 peak 419 weight 0.10000E+01 volume 0.10093E-02 ppm1 4.256 ppm2 8.228 CV 1
ASSI { 420}
(( segid "MAD1" and resid 202 and name HA ))
(( segid "MAD1" and resid 204 and name HN ))
4.700 2.800 1.300 peak 420 weight 0.10000E+01 volume 0.93550E-04 ppm1 3.769 ppm2 8.213 CV 1
ASSI { 421}
( segid "MAD1" and resid 209 and name HB% )
(( segid "MAD1" and resid 208 and name HN ))
4.000 2.000 2.000 peak 421 weight 0.10000E+01 volume 0.25252E-03 ppm1 1.663 ppm2 8.839 CV 1
ASSI { 423}
(( segid "MAD1" and resid 207 and name HG3 ))
(( segid "MAD1" and resid 208 and name HN ))
4.000 2.000 2.000 peak 423 weight 0.10000E+01 volume 0.25673E-03 ppm1 2.637 ppm2 8.839 CV 1
OR { 423}
(( segid "MAD1" and resid 207 and name HG2 ))
(( segid "MAD1" and resid 208 and name HN ))
ASSI { 425}
( segid "MAD1" and resid 212 and name HD1%)
(( segid "MAD1" and resid 213 and name HN ))
3.400 1.500 1.500 peak 425 weight 0.10000E+01 volume 0.61334E-03 ppm1 0.958 ppm2 7.720 CV 1
OR { 425}
( segid "MAD1" and resid 212 and name HD2%)
(( segid "MAD1" and resid 213 and name HN ))
ASSI { 426}
( segid "MAD1" and resid 206 and name HD2%)
(( segid "MAD1" and resid 207 and name HN ))
3.700 1.700 1.700 peak 426 weight 0.10000E+01 volume 0.40022E-03 ppm1 0.612 ppm2 8.462 CV 1
ASSI { 427}
( segid "MAD1" and resid 206 and name HD1%)
(( segid "MAD1" and resid 207 and name HN ))
3.800 1.800 1.800 peak 427 weight 0.10000E+01 volume 0.34184E-03 ppm1 0.497 ppm2 8.462 CV 1
ASSI { 428}
(( segid "MAD1" and resid 201 and name HB3 ))
(( segid "MAD1" and resid 203 and name HN ))
4.300 2.300 1.700 peak 428 weight 0.10000E+01 volume 0.17162E-03 ppm1 3.295 ppm2 8.415 CV 1
ASSI { 429}
(( segid "MAD1" and resid 201 and name HB2 ))
(( segid "MAD1" and resid 203 and name HN ))
5.400 3.600 0.600 peak 429 weight 0.10000E+01 volume 0.42906E-04 ppm1 3.164 ppm2 8.415 CV 1
ASSI { 430}
(( segid "MAD1" and resid 208 and name HA ))
( segid "MAD1" and resid 211 and name HD% )
3.000 1.100 1.100 peak 430 weight 0.10000E+01 volume 0.14089E-02 ppm1 4.109 ppm2 7.155 CV 1
ASSI { 431}
(( segid "MAD1" and resid 212 and name HA ))
( segid "MAD1" and resid 211 and name HE% )
3.600 1.600 1.600 peak 431 weight 0.10000E+01 volume 0.48604E-03 ppm1 4.031 ppm2 6.887 CV 1
ASSI { 433}
(( segid "MAD1" and resid 201 and name HB3 ))
(( segid "MAD1" and resid 201 and name HD22))
4.400 2.500 1.600 peak 433 weight 0.10000E+01 volume 0.13576E-03 ppm1 3.295 ppm2 6.963 CV 1
ASSI { 435}
(( segid "MAD1" and resid 208 and name HA ))
( segid "MAD1" and resid 211 and name HE% )
4.700 2.700 1.300 peak 435 weight 0.10000E+01 volume 0.97770E-04 ppm1 4.109 ppm2 6.887 CV 1
ASSI { 439}
( segid "MAD1" and resid 208 and name HB% )
( segid "MAD1" and resid 211 and name HD% )
4.300 2.300 1.700 peak 439 weight 0.10000E+01 volume 0.17233E-03 ppm1 1.316 ppm2 7.155 CV 1
ASSI { 443}
( segid "MAD1" and resid 208 and name HB% )
(( segid "MAD1" and resid 210 and name HN ))
3.800 1.800 1.800 peak 443 weight 0.10000E+01 volume 0.33059E-03 ppm1 1.316 ppm2 8.071 CV 1
ASSI { 444}
( segid "MAD1" and resid 208 and name HB% )
(( segid "MAD1" and resid 212 and name HN ))
3.800 1.800 1.800 peak 444 weight 0.10000E+01 volume 0.32004E-03 ppm1 1.316 ppm2 8.228 CV 1
ASSI { 448}
( segid "MAD1" and resid 202 and name HD1%)
(( segid "MAD1" and resid 202 and name HB ))
2.600 0.800 0.800 peak 448 weight 0.10000E+01 volume 0.34929E-02 ppm1 0.591 ppm2 2.095 CV 1
ASSI { 453}
( segid "MAD1" and resid 206 and name HD1%)
( segid "MAD1" and resid 209 and name HB% )
3.000 1.100 1.100 peak 453 weight 0.10000E+01 volume 0.13737E-02 ppm1 0.497 ppm2 1.663 CV 1
ASSI { 455}
( segid "MAD1" and resid 202 and name HD1%)
(( segid "MAD1" and resid 202 and name HG13))
2.300 0.700 0.700 peak 455 weight 0.10000E+01 volume 0.71674E-02 ppm1 0.591 ppm2 1.639 CV 1
ASSI { 464}
( segid "MAD1" and resid 202 and name HD1%)
(( segid "MAD1" and resid 202 and name HG12))
2.300 0.700 0.700 peak 464 weight 0.10000E+01 volume 0.67757E-02 ppm1 0.591 ppm2 1.347 CV 1
ASSI { 470}
( segid "MAD1" and resid 206 and name HD1%)
( segid "MAD1" and resid 202 and name HG2%)
3.200 1.300 1.300 peak 470 weight 0.10000E+01 volume 0.91088E-03 ppm1 0.497 ppm2 0.998 CV 1
ASSI { 475}
( segid "MAD1" and resid 202 and name HD1%)
( segid "MAD1" and resid 205 and name HD1%)
2.900 1.000 1.000 peak 475 weight 0.10000E+01 volume 0.18724E-02 ppm1 0.591 ppm2 0.868 CV 1
ASSI { 547}
(( segid "MAD1" and resid 203 and name HA ))
(( segid "MAD1" and resid 203 and name HE22))
4.100 2.100 1.900 peak 547 weight 0.10000E+01 volume 0.23352E-03 ppm1 3.963 ppm2 7.863 CV 1
ASSI { 652}
(( segid "MAD1" and resid 208 and name HA ))
(( segid "MAD1" and resid 209 and name HN ))
3.600 1.600 1.600 peak 652 weight 0.10000E+01 volume 0.46704E-03 ppm1 4.109 ppm2 8.458 CV 1
ASSI { 653}
(( segid "MAD1" and resid 211 and name HB3 ))
(( segid "MAD1" and resid 211 and name HN ))
2.700 0.900 0.900 peak 653 weight 0.10000E+01 volume 0.27839E-02 ppm1 3.492 ppm2 8.281 CV 1
ASSI { 654}
(( segid "MAD1" and resid 211 and name HB3 ))
(( segid "MAD1" and resid 212 and name HN ))
3.100 1.200 1.200 peak 654 weight 0.10000E+01 volume 0.11001E-02 ppm1 3.492 ppm2 8.228 CV 1
ASSI { 655}
(( segid "MAD1" and resid 211 and name HB3 ))
( segid "MAD1" and resid 211 and name HD% )
2.500 0.800 0.800 peak 655 weight 0.10000E+01 volume 0.39375E-02 ppm1 3.492 ppm2 7.155 CV 1
ASSI { 656}
(( segid "MAD1" and resid 211 and name HB3 ))
( segid "MAD1" and resid 211 and name HE% )
4.800 2.900 1.200 peak 656 weight 0.10000E+01 volume 0.82999E-04 ppm1 3.492 ppm2 6.887 CV 1
ASSI { 658}
(( segid "MAD1" and resid 207 and name HA ))
(( segid "MAD1" and resid 210 and name HN ))
3.000 1.200 1.200 peak 658 weight 0.10000E+01 volume 0.12893E-02 ppm1 4.240 ppm2 8.071 CV 1
ASSI { 1325}
(( segid "MAD1" and resid 212 and name HN ))
(( segid "MAD1" and resid 211 and name HN ))
2.800 1.000 1.000 peak 1325 weight 0.10000E+01 volume 0.22170E-02 ppm1 8.228 ppm2 8.281 CV 1
ASSI { 1326}
(( segid "MAD1" and resid 208 and name HA ))
(( segid "MAD1" and resid 212 and name HN ))
3.500 1.600 1.600 peak 1326 weight 0.10000E+01 volume 0.52894E-03 ppm1 4.109 ppm2 8.228 CV 1
ASSI { 1327}
(( segid "MAD1" and resid 208 and name HA ))
(( segid "MAD1" and resid 210 and name HN ))
4.500 2.500 1.500 peak 1327 weight 0.10000E+01 volume 0.12168E-03 ppm1 4.109 ppm2 8.071 CV 1
ASSI { 1329}
(( segid "MAD1" and resid 203 and name HB3 ))
(( segid "MAD1" and resid 204 and name HN ))
2.800 1.000 1.000 peak 1329 weight 0.10000E+01 volume 0.21502E-02 ppm1 2.094 ppm2 8.213 CV 1
ASSI { 1330}
( segid "MAD1" and resid 202 and name HG2%)
(( segid "MAD1" and resid 205 and name HN ))
5.100 3.300 0.900 peak 1330 weight 0.10000E+01 volume 0.56974E-04 ppm1 0.998 ppm2 7.652 CV 1
ASSI { 1333}
(( segid "MAD1" and resid 207 and name HB2 ))
(( segid "MAD1" and resid 203 and name HE22))
3.000 1.100 1.100 peak 1333 weight 0.10000E+01 volume 0.14427E-02 ppm1 2.392 ppm2 7.863 CV 1
OR { 1333}
(( segid "MAD1" and resid 207 and name HB3 ))
(( segid "MAD1" and resid 203 and name HE22))
ASSI { 1339}
(( segid "MAD1" and resid 202 and name HG12))
(( segid "MAD1" and resid 202 and name HB ))
2.800 1.000 1.000 peak 1339 weight 0.10000E+01 volume 0.19892E-02 ppm1 1.347 ppm2 2.095 CV 1
ASSI { 1346}
( segid "MAD1" and resid 205 and name HD2%)
( segid "MAD1" and resid 208 and name HB% )
3.600 1.600 1.600 peak 1346 weight 0.10000E+01 volume 0.45157E-03 ppm1 0.211 ppm2 1.316 CV 1
ASSI { 1348}
( segid "MAD1" and resid 205 and name HD2%)
( segid "MAD1" and resid 205 and name HD1%)
2.200 0.600 0.600 peak 1348 weight 0.10000E+01 volume 0.97559E-02 ppm1 0.211 ppm2 0.868 CV 1
ASSI { 1349}
(( segid "MAD1" and resid 202 and name HG13))
(( segid "MAD1" and resid 202 and name HB ))
2.800 1.000 1.000 peak 1349 weight 0.10000E+01 volume 0.20989E-02 ppm1 1.639 ppm2 2.095 CV 1
ASSI { 1350}
( segid "MAD1" and resid 202 and name HG2%)
(( segid "MAD1" and resid 202 and name HB ))
2.200 0.600 0.600 peak 1350 weight 0.10000E+01 volume 0.98121E-02 ppm1 0.998 ppm2 2.095 CV 1
ASSI { 3536}
(( segid "MAD1" and resid 208 and name HA ))
( segid "MAD1" and resid 208 and name HB% )
2.300 0.600 0.600 peak 3536 weight 0.10000E+01 volume 0.77442E-02 ppm1 4.109 ppm2 1.316 CV 1
ASSI { 3543}
(( segid "MAD1" and resid 212 and name HA ))
( segid "MAD1" and resid 212 and name HD2%)
2.100 0.600 0.600 peak 3543 weight 0.10000E+01 volume 0.11718E-01 ppm1 4.031 ppm2 0.958 CV 1
ASSI { 3551}
(( segid "MAD1" and resid 206 and name HA ))
( segid "MAD1" and resid 206 and name HD1%)
2.200 0.600 0.600 peak 3551 weight 0.10000E+01 volume 0.82225E-02 ppm1 3.970 ppm2 0.497 CV 1
ASSI { 3253}
(( segid "MAD1" and resid 210 and name HA ))
(( segid "MAD1" and resid 210 and name HB3 ))
2.500 0.800 0.800 peak 3253 weight 0.10000E+01 volume 0.37666E-02 ppm1 4.504 ppm2 2.903 CV 1
ASSI { 3256}
(( segid "MAD1" and resid 207 and name HA ))
(( segid "MAD1" and resid 210 and name HB2 ))
2.800 1.000 1.000 peak 3256 weight 0.10000E+01 volume 0.21327E-02 ppm1 4.240 ppm2 2.785 CV 1
ASSI { 3257}
(( segid "MAD1" and resid 210 and name HA ))
(( segid "MAD1" and resid 210 and name HB2 ))
2.400 0.700 0.700 peak 3257 weight 0.10000E+01 volume 0.51214E-02 ppm1 4.504 ppm2 2.785 CV 1
ASSI { 3258}
(( segid "MAD1" and resid 207 and name HA ))
(( segid "MAD1" and resid 207 and name HG3 ))
2.700 0.900 0.900 peak 3258 weight 0.10000E+01 volume 0.29507E-02 ppm1 4.240 ppm2 2.637 CV 1
OR { 3258}
(( segid "MAD1" and resid 207 and name HA ))
(( segid "MAD1" and resid 207 and name HG2 ))
ASSI { 3274}
(( segid "MAD1" and resid 207 and name HA ))
(( segid "MAD1" and resid 207 and name HB2 ))
2.200 0.600 0.600 peak 3274 weight 0.10000E+01 volume 0.90947E-02 ppm1 4.240 ppm2 2.392 CV 1
OR { 3274}
(( segid "MAD1" and resid 207 and name HA ))
(( segid "MAD1" and resid 207 and name HB3 ))
ASSI { 3286}
(( segid "MAD1" and resid 203 and name HA ))
(( segid "MAD1" and resid 203 and name HB2 ))
2.600 0.900 0.900 peak 3286 weight 0.10000E+01 volume 0.32539E-02 ppm1 3.963 ppm2 2.088 CV 1
OR { 3286}
(( segid "MAD1" and resid 203 and name HA ))
(( segid "MAD1" and resid 203 and name HB3 ))
ASSI { 3287}
(( segid "MAD1" and resid 202 and name HA ))
(( segid "MAD1" and resid 202 and name HB ))
2.700 0.900 0.900 peak 3287 weight 0.10000E+01 volume 0.26714E-02 ppm1 3.769 ppm2 2.095 CV 1
ASSI { 3300}
(( segid "MAD1" and resid 210 and name HA ))
( segid "MAD1" and resid 209 and name HB% )
3.400 1.400 1.400 peak 3300 weight 0.10000E+01 volume 0.67102E-03 ppm1 4.504 ppm2 1.663 CV 1
ASSI { 3302}
(( segid "MAD1" and resid 206 and name HA ))
( segid "MAD1" and resid 209 and name HB% )
2.500 0.800 0.800 peak 3302 weight 0.10000E+01 volume 0.44249E-02 ppm1 3.970 ppm2 1.663 CV 1
ASSI { 3305}
(( segid "MAD1" and resid 202 and name HA ))
(( segid "MAD1" and resid 202 and name HG13))
3.000 1.100 1.100 peak 3305 weight 0.10000E+01 volume 0.15354E-02 ppm1 3.769 ppm2 1.639 CV 1
ASSI { 3313}
(( segid "MAD1" and resid 202 and name HA ))
(( segid "MAD1" and resid 202 and name HG12))
3.000 1.100 1.100 peak 3313 weight 0.10000E+01 volume 0.15291E-02 ppm1 3.769 ppm2 1.347 CV 1
ASSI { 3327}
(( segid "MAD1" and resid 203 and name HA ))
( segid "MAD1" and resid 202 and name HG2%)
3.300 1.300 1.300 peak 3327 weight 0.10000E+01 volume 0.83069E-03 ppm1 3.963 ppm2 0.998 CV 1
ASSI { 3328}
(( segid "MAD1" and resid 202 and name HA ))
( segid "MAD1" and resid 202 and name HG2%)
2.600 0.800 0.800 peak 3328 weight 0.10000E+01 volume 0.33003E-02 ppm1 3.769 ppm2 0.998 CV 1
ASSI { 3333}
(( segid "MAD1" and resid 209 and name HA ))
( segid "MAD1" and resid 212 and name HD1%)
2.600 0.800 0.800 peak 3333 weight 0.10000E+01 volume 0.35225E-02 ppm1 4.151 ppm2 0.958 CV 1
ASSI { 3335}
(( segid "MAD1" and resid 205 and name HA ))
( segid "MAD1" and resid 205 and name HD1%)
3.200 1.200 1.200 peak 3335 weight 0.10000E+01 volume 0.10389E-02 ppm1 3.945 ppm2 0.868 CV 1
ASSI { 3336}
(( segid "MAD1" and resid 202 and name HA ))
( segid "MAD1" and resid 205 and name HD1%)
2.700 0.900 0.900 peak 3336 weight 0.10000E+01 volume 0.26208E-02 ppm1 3.769 ppm2 0.868 CV 1
ASSI { 3341}
(( segid "MAD1" and resid 206 and name HA ))
( segid "MAD1" and resid 206 and name HD2%)
2.500 2.500 3.500 peak 3341 weight 0.10000E+01 volume 0.45389E-02 ppm1 3.970 ppm2 0.612 CV 1
ASSI { 3348}
(( segid "MAD1" and resid 205 and name HA ))
( segid "MAD1" and resid 205 and name HD2%)
2.400 0.700 0.700 peak 3348 weight 0.10000E+01 volume 0.60259E-02 ppm1 3.945 ppm2 0.211 CV 1
ASSI { 3349}
(( segid "MAD1" and resid 202 and name HA ))
( segid "MAD1" and resid 205 and name HD2%)
3.500 1.500 1.500 peak 3349 weight 0.10000E+01 volume 0.55215E-03 ppm1 3.769 ppm2 0.211 CV 1
ASSI { 3350}
(( segid "MAD1" and resid 201 and name HA ))
(( segid "MAD1" and resid 201 and name HB3 ))
2.700 0.900 0.900 peak 3350 weight 0.10000E+01 volume 0.27355E-02 ppm1 5.288 ppm2 3.295 CV 1
ASSI { 3351}
(( segid "MAD1" and resid 201 and name HA ))
(( segid "MAD1" and resid 201 and name HB2 ))
2.600 0.900 0.900 peak 3351 weight 0.10000E+01 volume 0.32384E-02 ppm1 5.288 ppm2 3.164 CV 1
ASSI { 4023}
(( segid "MAD1" and resid 208 and name HA ))
(( segid "MAD1" and resid 211 and name HB2 ))
3.300 1.300 1.300 peak 4023 weight 0.10000E+01 volume 0.87430E-03 ppm1 4.109 ppm2 3.443 CV 1
ASSI { 4024}
(( segid "MAD1" and resid 208 and name HA ))
(( segid "MAD1" and resid 211 and name HB3 ))
5.400 3.700 0.600 peak 4024 weight 0.10000E+01 volume 0.40093E-04 ppm1 4.109 ppm2 3.492 CV 1
ASSI { 4026}
(( segid "MAD1" and resid 207 and name HA ))
(( segid "MAD1" and resid 210 and name HB3 ))
2.700 0.900 0.900 peak 4026 weight 0.10000E+01 volume 0.28213E-02 ppm1 4.240 ppm2 2.903 CV 1
ASSI { 4100}
(( segid "MAD1" and resid 205 and name HA ))
(( segid "MAD1" and resid 208 and name HN ))
3.300 1.400 1.400 peak 4100 weight 0.10000E+01 volume 0.76669E-03 ppm1 3.945 ppm2 8.839 CV 1
ASSI { 4105}
(( segid "MAD1" and resid 204 and name HA ))
(( segid "MAD1" and resid 207 and name HB3 ))
2.300 0.700 0.700 peak 4105 weight 0.10000E+01 volume 0.62966E-02 ppm1 4.324 ppm2 2.393 CV 1
ASSI { 4107}
(( segid "MAD1" and resid 207 and name HB3 ))
(( segid "MAD1" and resid 204 and name HN ))
4.200 2.300 1.800 peak 4107 weight 0.10000E+01 volume 0.17655E-03 ppm1 2.393 ppm2 8.214 CV 1
OR { 4107}
(( segid "MAD1" and resid 207 and name HB2 ))
(( segid "MAD1" and resid 204 and name HN ))
ASSI { 4114}
(( segid "MAD1" and resid 205 and name HA ))
( segid "MAD1" and resid 208 and name HB% )
2.700 0.900 0.900 peak 4114 weight 0.10000E+01 volume 0.29310E-02 ppm1 3.945 ppm2 1.316 CV 1
ASSI { 4117}
(( segid "MAD1" and resid 211 and name HA ))
(( segid "MAD1" and resid 211 and name HB3 ))
3.000 1.100 1.100 peak 4117 weight 0.10000E+01 volume 0.13308E-02 ppm1 4.256 ppm2 3.492 CV 1
ASSI { 4118}
(( segid "MAD1" and resid 211 and name HA ))
(( segid "MAD1" and resid 211 and name HB2 ))
2.800 1.000 1.000 peak 4118 weight 0.10000E+01 volume 0.22107E-02 ppm1 4.256 ppm2 3.443 CV 1
ASSI { 4119}
(( segid "MAD1" and resid 209 and name HA ))
( segid "MAD1" and resid 209 and name HB% )
2.200 0.600 0.600 peak 4119 weight 0.10000E+01 volume 0.99810E-02 ppm1 4.151 ppm2 1.663 CV 1
ASSI { 4124}
( segid "MAD1" and resid 206 and name HD1%)
( segid "MAD1" and resid 206 and name HD2%)
2.200 0.600 0.600 peak 4124 weight 0.10000E+01 volume 0.91510E-02 ppm1 0.497 ppm2 0.610 CV 1
ASSI { 4125}
( segid "MAD1" and resid 202 and name HG2%)
( segid "MAD1" and resid 202 and name HD1%)
2.300 0.700 0.700 peak 4125 weight 0.10000E+01 volume 0.70050E-02 ppm1 0.998 ppm2 0.591 CV 1
ASSI { 4126}
( segid "MAD1" and resid 202 and name HG2%)
( segid "MAD1" and resid 206 and name HD2%)
2.400 0.700 0.700 peak 4126 weight 0.10000E+01 volume 0.58619E-02 ppm1 0.998 ppm2 0.612 CV 1
ASSI { 4130}
( segid "MAD1" and resid 212 and name HD1%)
( segid "MAD1" and resid 208 and name HB% )
3.200 1.300 1.300 peak 4130 weight 0.10000E+01 volume 0.92916E-03 ppm1 0.958 ppm2 1.318 CV 1
ASSI { 4131}
( segid "MAD1" and resid 202 and name HG2%)
(( segid "MAD1" and resid 202 and name HG12))
2.800 1.000 1.000 peak 4131 weight 0.10000E+01 volume 0.19378E-02 ppm1 0.998 ppm2 1.356 CV 1
ASSI { 4132}
( segid "MAD1" and resid 205 and name HD1%)
(( segid "MAD1" and resid 202 and name HG12))
3.800 1.800 1.800 peak 4132 weight 0.10000E+01 volume 0.31933E-03 ppm1 0.868 ppm2 1.356 CV 1
ASSI { 4133}
( segid "MAD1" and resid 205 and name HD1%)
( segid "MAD1" and resid 208 and name HB% )
4.700 2.700 1.300 peak 4133 weight 0.10000E+01 volume 0.99880E-04 ppm1 0.868 ppm2 1.318 CV 1
ASSI { 4134}
(( segid "MAD1" and resid 202 and name HG12))
(( segid "MAD1" and resid 202 and name HG13))
2.200 0.600 0.600 peak 4134 weight 0.10000E+01 volume 0.91229E-02 ppm1 1.347 ppm2 1.640 CV 1
ASSI { 4135}
( segid "MAD1" and resid 209 and name HB% )
( segid "MAD1" and resid 208 and name HB% )
3.000 1.100 1.100 peak 4135 weight 0.10000E+01 volume 0.13751E-02 ppm1 1.661 ppm2 1.316 CV 1
ASSI { 4139}
( segid "MAD1" and resid 205 and name HD1%)
( segid "MAD1" and resid 202 and name HG2%)
3.100 1.200 1.200 peak 4139 weight 0.10000E+01 volume 0.12816E-02 ppm1 0.868 ppm2 0.994 CV 1
ASSI { 4140}
(( segid "MAD1" and resid 210 and name HB2 ))
(( segid "MAD1" and resid 210 and name HB3 ))
1.900 0.500 0.500 peak 4140 weight 0.10000E+01 volume 0.19807E-01 ppm1 2.782 ppm2 2.903 CV 1
ASSI { 4152}
(( segid "MAD1" and resid 207 and name HG2 ))
(( segid "MAD1" and resid 207 and name HB3 ))
1.900 0.500 0.500 peak 4152 weight 0.10000E+01 volume 0.21678E-01 ppm1 2.637 ppm2 2.392 CV 1
OR { 4152}
(( segid "MAD1" and resid 207 and name HG3 ))
(( segid "MAD1" and resid 207 and name HB3 ))
OR { 4152}
(( segid "MAD1" and resid 207 and name HG3 ))
(( segid "MAD1" and resid 207 and name HB2 ))
ASSI { 4160}
(( segid "MAD1" and resid 207 and name HB2 ))
(( segid "MAD1" and resid 203 and name HN ))
3.300 3.300 2.700 peak 4160 weight 0.10000E+01 volume 0.73363E-03 ppm1 2.413 ppm2 8.415 CV 1
OR { 4160}
(( segid "MAD1" and resid 207 and name HB3 ))
(( segid "MAD1" and resid 203 and name HN ))
ASSI { 4163}
(( segid "MAD1" and resid 202 and name HA ))
( segid "MAD1" and resid 202 and name HD1%)
2.700 0.900 0.900 peak 4163 weight 0.10000E+01 volume 0.26173E-02 ppm1 3.769 ppm2 0.591 CV 1
ASSI { 4164}
( segid "MAD1" and resid 209 and name HB% )
(( segid "MAD1" and resid 211 and name HN ))
4.300 2.300 1.700 peak 4164 weight 0.10000E+01 volume 0.16600E-03 ppm1 1.664 ppm2 8.281 CV 1
ASSI { 4165}
( segid "MAD1" and resid 208 and name HB% )
(( segid "MAD1" and resid 211 and name HN ))
4.800 2.800 1.200 peak 4165 weight 0.10000E+01 volume 0.88626E-04 ppm1 1.317 ppm2 8.281 CV 1
assi ( resid 6 and name HN ) ( resid 7 and name HN ) 3.5 3.5 0
assi ( resid 8 and name HN ) ( resid 9 and name HN ) 2.8 2.8 0
assi ( resid 10 and name HN ) ( resid 11 and name HN ) 3.5 3.5 0
assi ( resid 12 and name HN ) ( resid 13 and name HN ) 3.5 3.5 0
assi ( resid 14 and name HN ) ( resid 15 and name HN ) 3.5 3.5 0
assi ( resid 19 and name HN ) ( resid 20 and name HN ) 3.5 3.5 0
assi ( resid 21 and name HN ) ( resid 22 and name HN ) 3.5 3.5 0
assi ( resid 29 and name HN ) ( resid 30 and name HN ) 3.5 3.5 0
assi ( resid 33 and name HN ) ( resid 34 and name HN ) 3.5 3.5 0
assi ( resid 38 and name HN ) ( resid 39 and name HN ) 3.5 3.5 0
assi ( resid 59 and name HN ) ( resid 60 and name HN ) 2.8 2.8 0
assi ( resid 60 and name HN ) ( resid 61 and name HN ) 3.5 3.5 0
assi ( resid 64 and name HN ) ( resid 65 and name HN ) 2.8 2.8 0
assi ( resid 72 and name HN ) ( resid 73 and name HN ) 2.8 2.8 0
assi ( resid 76 and name HN ) ( resid 77 and name HN ) 2.8 2.8 0
assi ( resid 7 and (name HD* or name HE* or name HZ) ) ( resid 204 and (name HB* or name HG*) ) 3.5 3.5 0
assi ( resid 10 and name HB* ) ( resid 204 and (name HB* or name HG*) ) 3.5 3.5 0
assi ( resid 35 and name HD1* ) ( resid 205 and (name HB* or name HG*) ) 2.8 2.8 0
assi ( resid 35 and name HD2* ) ( resid 205 and (name HB* or name HG*) ) 2.8 2.8 0
assi ( resid 201 and name HA ) ( resid 204 and (name HB* or name HG*) ) 3.5 3.5 0
assi ( resid 202 and name HA ) ( resid 205 and (name HB* or name HG*) ) 3.5 3.5 0
assi ( resid 202 and name HG2* ) ( resid 205 and (name HB* or name HG*) ) 5.0 5.0 0
assi ( resid 203 and name HA ) ( resid 203 and (name HB* or name HG*) ) 2.8 2.8 0
assi ( resid 203 and (name HB* or name HG*) ) ( resid 203 and name HN ) 2.8 2.8 0
assi ( resid 203 and name HA ) ( resid 204 and (name HB* or name HG*) ) 5.0 5.0 0
assi ( resid 203 and name HN ) ( resid 204 and (name HB* or name HG*) ) 5.0 5.0 0
assi ( resid 203 and name HE* ) ( resid 204 and (name HB* or name HG*) ) 3.5 3.5 0
assi ( resid 204 and name HA ) ( resid 204 and (name HB* or name HG*) ) 2.8 2.8 0
assi ( resid 204 and (name HB* or name HG*) ) ( resid 204 and name HN ) 2.8 2.8 0
assi ( resid 205 and name HA ) ( resid 205 and (name HB* or name HG*) ) 2.8 2.8 0
assi ( resid 205 and (name HB* or name HG*) ) ( resid 205 and name HN ) 2.8 2.8 0
assi ( resid 205 and (name HB* or name HG*) ) ( resid 205 and name HD* ) 2.8 2.8 0
assi ( resid 205 and (name HB* or name HG*) ) ( resid 206 and name HN ) 5.0 5.0 0
assi ( resid 206 and name HD* ) ( resid 206 and (name HB* or name HG*) ) 2.8 2.8 0
assi ( resid 206 and (name HB* or name HG*) ) ( resid 206 and name HN ) 3.5 3.5 0
assi ( resid 206 and (name HB* or name HG*) ) ( resid 207 and name HN ) 3.5 3.5 0
assi ( resid 209 and name HA ) ( resid 212 and (name HB* or name HG*) ) 3.5 3.5 0
assi ( resid 210 and name HA ) ( resid 213 and (name HB* or name HG*) ) 3.5 3.5 0
assi ( resid 211 and name HD* ) ( resid 212 and (name HB* or name HG*) ) 2.8 2.8 0
assi ( resid 211 and name HE* ) ( resid 212 and (name HB* or name HG*) ) 5.0 5.0 0
assi ( resid 212 and name HA ) ( resid 212 and (name HB* or name HG*) ) 2.8 2.8 0
assi ( resid 212 and name HD* ) ( resid 212 and (name HB* or name HG*) ) 2.8 2.8 0
assi ( resid 212 and (name HB* or name HG*) ) ( resid 212 and name HN ) 2.8 2.8 0
assi ( resid 212 and (name HB* or name HG*) ) ( resid 213 and name HN ) 3.5 3.5 0
assi ( resid 213 and name HA ) ( resid 213 and (name HB* or name HG*) ) 2.8 2.8 0
assi ( resid 213 and (name HB* or name HG*) ) ( resid 213 and name HN ) 2.8 2.8 0
ASSI { 271}
(( segid "PAH2" and resid 18 and name HN ))
(( segid "PAH2" and resid 18 and name HA ))
2.600 0.900 0.900 peak 271 weight 0.10000E+01 volume 0.29468E-02 ppm1 8.360 ppm2 3.080 CV 1
OR { 271}
(( segid "PAH2" and resid 18 and name HN ))
(( segid "PAH2" and resid 17 and name HA ))
ASSI { 301}
(( segid "PAH2" and resid 46 and name HN ))
(( segid "PAH2" and resid 45 and name HB ))
2.300 0.700 0.700 peak 301 weight 0.10000E+01 volume 0.63093E-02 ppm1 8.382 ppm2 4.215 CV 1
OR { 301}
(( segid "PAH2" and resid 46 and name HN ))
(( segid "PAH2" and resid 46 and name HA ))
ASSI { 313}
(( segid "PAH2" and resid 57 and name HN ))
(( segid "PAH2" and resid 57 and name HA ))
2.400 0.700 0.700 peak 313 weight 0.10000E+01 volume 0.49551E-02 ppm1 7.912 ppm2 4.058 CV 1
OR { 313}
(( segid "PAH2" and resid 57 and name HN ))
(( segid "PAH2" and resid 56 and name HA ))
ASSI { 332}
(( segid "PAH2" and resid 73 and name HN ))
(( segid "PAH2" and resid 73 and name HA ))
2.500 0.800 0.800 peak 332 weight 0.10000E+01 volume 0.40694E-02 ppm1 7.887 ppm2 4.346 CV 1
OR { 332}
(( segid "PAH2" and resid 73 and name HN ))
(( segid "PAH2" and resid 72 and name HA ))
ASSI { 334}
(( segid "PAH2" and resid 75 and name HN ))
(( segid "PAH2" and resid 74 and name HB3 ))
2.200 0.600 0.600 peak 334 weight 0.10000E+01 volume 0.90490E-02 ppm1 7.908 ppm2 4.039 CV 1
OR { 334}
(( segid "PAH2" and resid 75 and name HN ))
(( segid "PAH2" and resid 75 and name HA ))
ASSI { 348}
(( segid "PAH2" and resid 78 and name HN ))
(( segid "PAH2" and resid 78 and name HA ))
2.400 0.700 0.700 peak 348 weight 0.10000E+01 volume 0.48576E-02 ppm1 7.271 ppm2 3.826 CV 1
OR { 348}
(( segid "PAH2" and resid 78 and name HN ))
(( segid "PAH2" and resid 77 and name HA2 ))
ASSI { 493}
(( segid "PAH2" and resid 6 and name HN ))
(( segid "PAH2" and resid 6 and name HB2 ))
2.000 0.500 0.500 peak 493 weight 0.10000E+01 volume 0.14742E-01 ppm1 8.591 ppm2 2.049 CV 1
OR { 493}
(( segid "PAH2" and resid 6 and name HN ))
(( segid "PAH2" and resid 5 and name HB ))
ASSI { 505}
(( segid "PAH2" and resid 8 and name HN ))
(( segid "PAH2" and resid 6 and name HB2 ))
3.700 1.700 1.700 peak 505 weight 0.10000E+01 volume 0.41396E-03 ppm1 8.382 ppm2 2.043 CV 1
OR { 505}
(( segid "PAH2" and resid 8 and name HN ))
(( segid "PAH2" and resid 5 and name HB ))
OR { 505}
(( segid "PAH2" and resid 8 and name HN ))
(( segid "PAH2" and resid 6 and name HB3 ))
ASSI { 602}
(( segid "PAH2" and resid 31 and name HN ))
(( segid "PAH2" and resid 31 and name HA ))
2.600 0.800 0.800 peak 602 weight 0.10000E+01 volume 0.36504E-02 ppm1 8.096 ppm2 3.845 CV 1
OR { 602}
(( segid "PAH2" and resid 31 and name HN ))
(( segid "PAH2" and resid 30 and name HB3 ))
ASSI { 604}
(( segid "PAH2" and resid 32 and name HN ))
(( segid "PAH2" and resid 31 and name HB3 ))
2.500 0.800 0.800 peak 604 weight 0.10000E+01 volume 0.36573E-02 ppm1 7.634 ppm2 3.446 CV 1
OR { 604}
(( segid "PAH2" and resid 32 and name HN ))
(( segid "PAH2" and resid 32 and name HA ))
ASSI { 628}
(( segid "PAH2" and resid 10 and name HN ))
( segid "PAH2" and resid 7 and name HD% )
5.600 3.900 0.400 peak 628 weight 0.10000E+01 volume 0.34350E-04 ppm1 8.160 ppm2 7.156 CV 1
OR { 628}
(( segid "PAH2" and resid 10 and name HN ))
( segid "PAH2" and resid 79 and name HD% )
ASSI { 643}
(( segid "PAH2" and resid 13 and name HN ))
(( segid "PAH2" and resid 14 and name HB ))
4.500 2.500 1.500 peak 643 weight 0.10000E+01 volume 0.12561E-03 ppm1 8.129 ppm2 2.004 CV 1
OR { 643}
(( segid "PAH2" and resid 13 and name HN ))
(( segid "PAH2" and resid 16 and name HB2 ))
OR { 643}
(( segid "PAH2" and resid 13 and name HN ))
(( segid "PAH2" and resid 16 and name HB3 ))
ASSI { 651}
(( segid "PAH2" and resid 14 and name HN ))
( segid "PAH2" and resid 11 and name HG2%)
3.700 1.700 1.700 peak 651 weight 0.10000E+01 volume 0.38425E-03 ppm1 8.583 ppm2 0.878 CV 1
OR { 651}
(( segid "PAH2" and resid 14 and name HN ))
( segid "MAD1" and resid 205 and name HD1%)
ASSI { 665}
(( segid "PAH2" and resid 16 and name HN ))
( segid "MAD1" and resid 212 and name HD1%)
4.000 2.000 2.000 peak 665 weight 0.10000E+01 volume 0.23287E-03 ppm1 7.955 ppm2 0.931 CV 1
OR { 665}
(( segid "PAH2" and resid 16 and name HN ))
( segid "PAH2" and resid 11 and name HG2%)
ASSI { 671}
(( segid "PAH2" and resid 17 and name HN ))
(( segid "PAH2" and resid 16 and name HG3 ))
3.800 1.800 1.800 peak 671 weight 0.10000E+01 volume 0.34158E-03 ppm1 7.639 ppm2 1.594 CV 1
OR { 671}
(( segid "PAH2" and resid 17 and name HN ))
(( segid "PAH2" and resid 18 and name HB3 ))
OR { 671}
(( segid "PAH2" and resid 17 and name HN ))
(( segid "PAH2" and resid 20 and name HB2 ))
ASSI { 672}
(( segid "PAH2" and resid 17 and name HN ))
(( segid "PAH2" and resid 16 and name HG2 ))
3.200 1.300 1.300 peak 672 weight 0.10000E+01 volume 0.91593E-03 ppm1 7.639 ppm2 1.166 CV 1
OR { 672}
(( segid "PAH2" and resid 17 and name HN ))
( segid "PAH2" and resid 19 and name HG2%)
OR { 672}
(( segid "PAH2" and resid 17 and name HN ))
( segid "PAH2" and resid 14 and name HG1%)
ASSI { 688}
(( segid "PAH2" and resid 19 and name HN ))
(( segid "PAH2" and resid 21 and name HN ))
4.500 2.500 1.500 peak 688 weight 0.10000E+01 volume 0.12712E-03 ppm1 8.091 ppm2 7.224 CV 1
OR { 688}
(( segid "PAH2" and resid 19 and name HN ))
(( segid "PAH2" and resid 22 and name HN ))
ASSI { 696}
(( segid "PAH2" and resid 19 and name HN ))
(( segid "PAH2" and resid 18 and name HE3 ))
4.700 2.700 1.300 peak 696 weight 0.10000E+01 volume 0.96410E-04 ppm1 8.091 ppm2 2.778 CV 1
OR { 696}
(( segid "PAH2" and resid 19 and name HN ))
(( segid "PAH2" and resid 18 and name HE2 ))
OR { 696}
(( segid "PAH2" and resid 19 and name HN ))
(( segid "PAH2" and resid 15 and name HB2 ))
ASSI { 697}
(( segid "PAH2" and resid 19 and name HN ))
(( segid "PAH2" and resid 22 and name HG ))
4.000 2.000 2.000 peak 697 weight 0.10000E+01 volume 0.24569E-03 ppm1 8.091 ppm2 1.871 CV 1
OR { 697}
(( segid "PAH2" and resid 19 and name HN ))
(( segid "PAH2" and resid 17 and name HB ))
ASSI { 705}
(( segid "PAH2" and resid 20 and name HN ))
(( segid "PAH2" and resid 20 and name HG3 ))
3.200 1.300 1.300 peak 705 weight 0.10000E+01 volume 0.98209E-03 ppm1 7.992 ppm2 0.844 CV 1
OR { 705}
(( segid "PAH2" and resid 20 and name HN ))
( segid "PAH2" and resid 17 and name HG2%)
OR { 705}
(( segid "PAH2" and resid 20 and name HN ))
( segid "PAH2" and resid 22 and name HD2%)
ASSI { 708}
(( segid "PAH2" and resid 20 and name HN ))
(( segid "PAH2" and resid 18 and name HA ))
2.900 1.000 1.000 peak 708 weight 0.10000E+01 volume 0.17726E-02 ppm1 7.995 ppm2 3.074 CV 1
OR { 708}
(( segid "PAH2" and resid 20 and name HN ))
(( segid "PAH2" and resid 20 and name HD2 ))
ASSI { 714}
(( segid "PAH2" and resid 21 and name HN ))
(( segid "PAH2" and resid 22 and name HB2 ))
4.300 2.300 1.700 peak 714 weight 0.10000E+01 volume 0.16037E-03 ppm1 7.209 ppm2 1.795 CV 1
OR { 714}
(( segid "PAH2" and resid 21 and name HN ))
(( segid "PAH2" and resid 17 and name HB ))
ASSI { 720}
(( segid "PAH2" and resid 22 and name HN ))
(( segid "PAH2" and resid 20 and name HA ))
2.900 1.100 1.100 peak 720 weight 0.10000E+01 volume 0.15474E-02 ppm1 7.224 ppm2 3.739 CV 1
OR { 720}
(( segid "PAH2" and resid 22 and name HN ))
(( segid "PAH2" and resid 19 and name HA ))
ASSI { 725}
(( segid "PAH2" and resid 22 and name HN ))
(( segid "PAH2" and resid 20 and name HB3 ))
3.900 1.900 1.900 peak 725 weight 0.10000E+01 volume 0.28372E-03 ppm1 7.224 ppm2 1.105 CV 1
OR { 725}
(( segid "PAH2" and resid 22 and name HN ))
( segid "PAH2" and resid 19 and name HG2%)
ASSI { 731}
(( segid "PAH2" and resid 23 and name HN ))
(( segid "PAH2" and resid 24 and name HB2 ))
3.700 1.700 1.700 peak 731 weight 0.10000E+01 volume 0.39551E-03 ppm1 8.666 ppm2 3.476 CV 1
OR { 731}
(( segid "PAH2" and resid 23 and name HN ))
(( segid "PAH2" and resid 25 and name HD3 ))
ASSI { 752}
(( segid "PAH2" and resid 26 and name HN ))
(( segid "PAH2" and resid 26 and name HB3 ))
2.100 0.500 0.500 peak 752 weight 0.10000E+01 volume 0.13065E-01 ppm1 10.319 ppm2 2.133 CV 1
OR { 752}
(( segid "PAH2" and resid 26 and name HN ))
(( segid "PAH2" and resid 25 and name HG3 ))
ASSI { 769}
(( segid "PAH2" and resid 28 and name HN ))
( segid "PAH2" and resid 27 and name HD1%)
4.300 2.300 1.700 peak 769 weight 0.10000E+01 volume 0.16971E-03 ppm1 6.700 ppm2 0.741 CV 1
OR { 769}
(( segid "PAH2" and resid 28 and name HN ))
( segid "PAH2" and resid 65 and name HD2%)
OR { 769}
(( segid "PAH2" and resid 28 and name HN ))
( segid "PAH2" and resid 65 and name HD1%)
ASSI { 793}
(( segid "PAH2" and resid 32 and name HN ))
(( segid "PAH2" and resid 33 and name HN ))
2.400 0.700 0.700 peak 793 weight 0.10000E+01 volume 0.46753E-02 ppm1 7.634 ppm2 8.054 CV 1
OR { 793}
(( segid "PAH2" and resid 32 and name HN ))
(( segid "PAH2" and resid 31 and name HN ))
ASSI { 794}
(( segid "PAH2" and resid 32 and name HN ))
(( segid "PAH2" and resid 30 and name HN ))
4.600 2.700 1.400 peak 794 weight 0.10000E+01 volume 0.10529E-03 ppm1 7.634 ppm2 8.280 CV 1
OR { 794}
(( segid "PAH2" and resid 32 and name HN ))
(( segid "PAH2" and resid 29 and name HN ))
ASSI { 809}
(( segid "PAH2" and resid 34 and name HN ))
( segid "PAH2" and resid 62 and name HG2%)
3.800 1.800 1.800 peak 809 weight 0.10000E+01 volume 0.33520E-03 ppm1 7.999 ppm2 0.528 CV 1
OR { 809}
(( segid "PAH2" and resid 34 and name HN ))
( segid "PAH2" and resid 35 and name HD2%)
ASSI { 811}
(( segid "PAH2" and resid 35 and name HN ))
(( segid "PAH2" and resid 35 and name HB2 ))
2.300 0.700 0.700 peak 811 weight 0.10000E+01 volume 0.60887E-02 ppm1 7.326 ppm2 1.732 CV 1
OR { 811}
(( segid "PAH2" and resid 35 and name HN ))
(( segid "PAH2" and resid 34 and name HG12))
ASSI { 814}
(( segid "PAH2" and resid 35 and name HN ))
( segid "PAH2" and resid 34 and name HG2%)
2.900 1.100 1.100 peak 814 weight 0.10000E+01 volume 0.16821E-02 ppm1 7.327 ppm2 0.736 CV 1
OR { 814}
(( segid "PAH2" and resid 35 and name HN ))
( segid "PAH2" and resid 58 and name HG1%)
ASSI { 838}
(( segid "PAH2" and resid 39 and name HN ))
( segid "MAD1" and resid 206 and name HD2%)
3.800 1.800 1.800 peak 838 weight 0.10000E+01 volume 0.31286E-03 ppm1 8.344 ppm2 0.558 CV 1
OR { 838}
(( segid "PAH2" and resid 39 and name HN ))
( segid "PAH2" and resid 35 and name HD2%)
ASSI { 841}
(( segid "PAH2" and resid 39 and name HN ))
(( segid "PAH2" and resid 38 and name HN ))
2.600 0.800 0.800 peak 841 weight 0.10000E+01 volume 0.32719E-02 ppm1 8.344 ppm2 8.141 CV 1
OR { 841}
(( segid "PAH2" and resid 39 and name HN ))
(( segid "PAH2" and resid 40 and name HN ))
ASSI { 844}
(( segid "PAH2" and resid 40 and name HN ))
(( segid "PAH2" and resid 39 and name HA ))
2.700 0.900 0.900 peak 844 weight 0.10000E+01 volume 0.23612E-02 ppm1 8.150 ppm2 3.856 CV 1
OR { 844}
(( segid "PAH2" and resid 40 and name HN ))
(( segid "PAH2" and resid 37 and name HA ))
ASSI { 859}
(( segid "PAH2" and resid 42 and name HN ))
( segid "PAH2" and resid 38 and name HD% )
3.900 1.900 1.900 peak 859 weight 0.10000E+01 volume 0.28099E-03 ppm1 7.658 ppm2 6.979 CV 1
OR { 859}
(( segid "PAH2" and resid 42 and name HN ))
(( segid "PAH2" and resid 42 and name HE22))
ASSI { 898}
(( segid "PAH2" and resid 52 and name HN ))
(( segid "PAH2" and resid 53 and name HB3 ))
4.100 2.100 1.900 peak 898 weight 0.10000E+01 volume 0.22370E-03 ppm1 7.758 ppm2 2.004 CV 1
OR { 898}
(( segid "PAH2" and resid 52 and name HN ))
(( segid "PAH2" and resid 49 and name HG2 ))
ASSI { 932}
(( segid "PAH2" and resid 58 and name HN ))
(( segid "PAH2" and resid 57 and name HG3 ))
2.500 0.800 0.800 peak 932 weight 0.10000E+01 volume 0.36944E-02 ppm1 8.052 ppm2 2.352 CV 1
OR { 932}
(( segid "PAH2" and resid 58 and name HN ))
(( segid "PAH2" and resid 57 and name HG2 ))
OR { 932}
(( segid "PAH2" and resid 58 and name HN ))
(( segid "PAH2" and resid 56 and name HG3 ))
ASSI { 933}
(( segid "PAH2" and resid 58 and name HN ))
(( segid "PAH2" and resid 58 and name HB ))
2.200 0.600 0.600 peak 933 weight 0.10000E+01 volume 0.86137E-02 ppm1 8.051 ppm2 2.104 CV 1
OR { 933}
(( segid "PAH2" and resid 58 and name HN ))
( segid "PAH2" and resid 53 and name HE% )
ASSI { 945}
(( segid "PAH2" and resid 61 and name HN ))
(( segid "PAH2" and resid 60 and name HN ))
2.400 0.700 0.700 peak 945 weight 0.10000E+01 volume 0.56749E-02 ppm1 7.970 ppm2 8.307 CV 1
OR { 945}
(( segid "PAH2" and resid 61 and name HN ))
(( segid "PAH2" and resid 62 and name HN ))
ASSI { 962}
(( segid "PAH2" and resid 62 and name HN ))
(( segid "PAH2" and resid 61 and name HA ))
2.700 0.900 0.900 peak 962 weight 0.10000E+01 volume 0.23902E-02 ppm1 8.339 ppm2 4.000 CV 1
OR { 962}
(( segid "PAH2" and resid 62 and name HN ))
(( segid "PAH2" and resid 59 and name HA ))
ASSI { 963}
(( segid "PAH2" and resid 63 and name HN ))
(( segid "PAH2" and resid 59 and name HA ))
3.700 1.700 1.700 peak 963 weight 0.10000E+01 volume 0.42384E-03 ppm1 8.717 ppm2 3.991 CV 1
OR { 963}
(( segid "PAH2" and resid 63 and name HN ))
(( segid "PAH2" and resid 61 and name HA ))
ASSI { 973}
(( segid "PAH2" and resid 64 and name HN ))
(( segid "PAH2" and resid 63 and name HA ))
3.000 1.100 1.100 peak 973 weight 0.10000E+01 volume 0.14279E-02 ppm1 7.522 ppm2 3.731 CV 1
OR { 973}
(( segid "PAH2" and resid 64 and name HN ))
(( segid "PAH2" and resid 60 and name HA ))
ASSI { 976}
(( segid "PAH2" and resid 64 and name HN ))
( segid "PAH2" and resid 34 and name HD1%)
4.200 2.200 1.800 peak 976 weight 0.10000E+01 volume 0.18295E-03 ppm1 7.522 ppm2 0.759 CV 1
OR { 976}
(( segid "PAH2" and resid 64 and name HN ))
( segid "PAH2" and resid 65 and name HD1%)
OR { 976}
(( segid "PAH2" and resid 64 and name HN ))
( segid "PAH2" and resid 34 and name HG2%)
ASSI { 1001}
(( segid "PAH2" and resid 67 and name HN ))
( segid "PAH2" and resid 65 and name HD2%)
4.100 2.100 1.900 peak 1001 weight 0.10000E+01 volume 0.21732E-03 ppm1 6.967 ppm2 0.756 CV 1
OR { 1001}
(( segid "PAH2" and resid 67 and name HN ))
( segid "PAH2" and resid 27 and name HD1%)
OR { 1001}
(( segid "PAH2" and resid 67 and name HN ))
( segid "PAH2" and resid 65 and name HD1%)
ASSI { 1017}
(( segid "PAH2" and resid 70 and name HN ))
(( segid "PAH2" and resid 70 and name HB2 ))
1.900 0.500 0.500 peak 1017 weight 0.10000E+01 volume 0.19294E-01 ppm1 8.593 ppm2 2.083 CV 1
OR { 1017}
(( segid "PAH2" and resid 6 and name HN ))
(( segid "PAH2" and resid 6 and name HB2 ))
OR { 1017}
(( segid "PAH2" and resid 6 and name HN ))
(( segid "PAH2" and resid 5 and name HB ))
ASSI { 1020}
(( segid "PAH2" and resid 70 and name HN ))
(( segid "PAH2" and resid 69 and name HB2 ))
3.300 1.400 1.400 peak 1020 weight 0.10000E+01 volume 0.74179E-03 ppm1 8.592 ppm2 1.832 CV 1
OR { 1020}
(( segid "PAH2" and resid 70 and name HN ))
(( segid "PAH2" and resid 69 and name HB3 ))
OR { 1020}
(( segid "PAH2" and resid 70 and name HN ))
(( segid "PAH2" and resid 73 and name HB3 ))
ASSI { 1025}
(( segid "PAH2" and resid 71 and name HN ))
(( segid "PAH2" and resid 69 and name HB3 ))
4.100 2.100 1.900 peak 1025 weight 0.10000E+01 volume 0.21877E-03 ppm1 8.986 ppm2 1.832 CV 1
OR { 1025}
(( segid "PAH2" and resid 71 and name HN ))
(( segid "PAH2" and resid 69 and name HB2 ))
OR { 1025}
(( segid "PAH2" and resid 71 and name HN ))
(( segid "PAH2" and resid 73 and name HB3 ))
ASSI { 1030}
(( segid "PAH2" and resid 72 and name HN ))
(( segid "PAH2" and resid 69 and name HB3 ))
3.100 1.200 1.200 peak 1030 weight 0.10000E+01 volume 0.12235E-02 ppm1 7.775 ppm2 1.833 CV 1
OR { 1030}
(( segid "PAH2" and resid 72 and name HN ))
(( segid "PAH2" and resid 69 and name HB2 ))
OR { 1030}
(( segid "PAH2" and resid 72 and name HN ))
(( segid "PAH2" and resid 73 and name HB3 ))
ASSI { 1048}
(( segid "PAH2" and resid 75 and name HN ))
(( segid "PAH2" and resid 78 and name HG2 ))
3.400 1.400 1.400 peak 1048 weight 0.10000E+01 volume 0.66749E-03 ppm1 7.910 ppm2 1.595 CV 1
OR { 1048}
(( segid "PAH2" and resid 75 and name HN ))
(( segid "PAH2" and resid 72 and name HG ))
OR { 1048}
(( segid "PAH2" and resid 75 and name HN ))
(( segid "PAH2" and resid 78 and name HB3 ))
ASSI { 1049}
(( segid "PAH2" and resid 75 and name HN ))
(( segid "PAH2" and resid 74 and name HA ))
2.700 0.900 0.900 peak 1049 weight 0.10000E+01 volume 0.27379E-02 ppm1 7.907 ppm2 4.291 CV 1
OR { 1049}
(( segid "PAH2" and resid 75 and name HN ))
(( segid "PAH2" and resid 72 and name HA ))
ASSI { 1056}
(( segid "PAH2" and resid 76 and name HN ))
( segid "PAH2" and resid 79 and name HD% )
4.400 2.500 1.600 peak 1056 weight 0.10000E+01 volume 0.13205E-03 ppm1 7.641 ppm2 7.111 CV 1
OR { 1056}
(( segid "PAH2" and resid 76 and name HN ))
( segid "PAH2" and resid 76 and name HE% )
ASSI { 1061}
(( segid "PAH2" and resid 77 and name HN ))
(( segid "PAH2" and resid 80 and name HN ))
3.900 1.900 1.900 peak 1061 weight 0.10000E+01 volume 0.29858E-03 ppm1 7.753 ppm2 6.831 CV 1
OR { 1061}
(( segid "PAH2" and resid 77 and name HN ))
( segid "PAH2" and resid 13 and name HE% )
ASSI { 1066}
(( segid "PAH2" and resid 78 and name HN ))
(( segid "PAH2" and resid 76 and name HA ))
4.100 2.100 1.900 peak 1066 weight 0.10000E+01 volume 0.21789E-03 ppm1 7.271 ppm2 4.296 CV 1
OR { 1066}
(( segid "PAH2" and resid 78 and name HN ))
(( segid "PAH2" and resid 74 and name HA ))
ASSI { 1079}
(( segid "PAH2" and resid 80 and name HN ))
(( segid "PAH2" and resid 78 and name HA ))
3.500 1.500 1.500 peak 1079 weight 0.10000E+01 volume 0.58217E-03 ppm1 6.852 ppm2 3.833 CV 1
OR { 1079}
(( segid "PAH2" and resid 80 and name HN ))
(( segid "PAH2" and resid 77 and name HA2 ))
ASSI { 1089}
(( segid "PAH2" and resid 82 and name HN ))
(( segid "PAH2" and resid 82 and name HB2 ))
2.300 0.700 0.700 peak 1089 weight 0.10000E+01 volume 0.64776E-02 ppm1 9.150 ppm2 1.958 CV 1
OR { 1089}
(( segid "PAH2" and resid 82 and name HN ))
(( segid "PAH2" and resid 82 and name HB3 ))
OR { 1089}
(( segid "PAH2" and resid 82 and name HN ))
(( segid "PAH2" and resid 81 and name HB3 ))
ASSI { 1177}
(( segid "PAH2" and resid 6 and name HN ))
(( segid "PAH2" and resid 9 and name HB3 ))
4.200 2.200 1.800 peak 1177 weight 0.10000E+01 volume 0.17762E-03 ppm1 8.588 ppm2 3.010 CV 1
OR { 1177}
(( segid "PAH2" and resid 6 and name HN ))
(( segid "PAH2" and resid 7 and name HB3 ))
ASSI { 1181}
(( segid "PAH2" and resid 9 and name HN ))
( segid "PAH2" and resid 10 and name HB% )
3.600 1.600 1.600 peak 1181 weight 0.10000E+01 volume 0.48774E-03 ppm1 8.376 ppm2 1.400 CV 1
OR { 1181}
(( segid "PAH2" and resid 59 and name HN ))
(( segid "PAH2" and resid 80 and name HB3 ))
ASSI { 1195}
(( segid "PAH2" and resid 32 and name HN ))
(( segid "PAH2" and resid 28 and name HA ))
3.600 1.600 1.600 peak 1195 weight 0.10000E+01 volume 0.46876E-03 ppm1 7.634 ppm2 4.168 CV 1
OR { 1195}
(( segid "PAH2" and resid 32 and name HN ))
(( segid "PAH2" and resid 30 and name HA ))
ASSI { 1198}
(( segid "PAH2" and resid 38 and name HN ))
(( segid "PAH2" and resid 35 and name HA ))
2.500 0.800 0.800 peak 1198 weight 0.10000E+01 volume 0.42703E-02 ppm1 8.185 ppm2 3.805 CV 1
OR { 1198}
(( segid "PAH2" and resid 38 and name HN ))
(( segid "PAH2" and resid 37 and name HA ))
ASSI { 1199}
(( segid "PAH2" and resid 36 and name HN ))
( segid "MAD1" and resid 206 and name HD1%)
2.900 1.100 1.100 peak 1199 weight 0.10000E+01 volume 0.15271E-02 ppm1 8.722 ppm2 0.444 CV 1
OR { 1199}
(( segid "PAH2" and resid 36 and name HN ))
( segid "PAH2" and resid 35 and name HD1%)
ASSI { 1213}
(( segid "PAH2" and resid 74 and name HN ))
(( segid "PAH2" and resid 73 and name HN ))
2.300 0.600 0.600 peak 1213 weight 0.10000E+01 volume 0.75688E-02 ppm1 8.318 ppm2 7.891 CV 1
OR { 1213}
(( segid "PAH2" and resid 74 and name HN ))
(( segid "PAH2" and resid 75 and name HN ))
ASSI { 1219}
(( segid "PAH2" and resid 60 and name HN ))
(( segid "PAH2" and resid 60 and name HB ))
2.300 0.600 0.600 peak 1219 weight 0.10000E+01 volume 0.71567E-02 ppm1 8.318 ppm2 4.294 CV 1
OR { 1219}
(( segid "PAH2" and resid 74 and name HN ))
(( segid "PAH2" and resid 74 and name HA ))
ASSI { 1223}
(( segid "PAH2" and resid 74 and name HN ))
( segid "PAH2" and resid 13 and name HE% )
5.300 3.500 0.700 peak 1223 weight 0.10000E+01 volume 0.46475E-04 ppm1 8.320 ppm2 6.779 CV 1
OR { 1223}
(( segid "PAH2" and resid 60 and name HN ))
(( segid "PAH2" and resid 76 and name HZ ))
ASSI { 1244}
(( segid "PAH2" and resid 47 and name HN ))
(( segid "PAH2" and resid 47 and name HA2 ))
2.800 1.000 1.000 peak 1244 weight 0.10000E+01 volume 0.20495E-02 ppm1 8.693 ppm2 4.132 CV 1
OR { 1244}
(( segid "PAH2" and resid 47 and name HN ))
(( segid "PAH2" and resid 46 and name HA ))
ASSI { 1245}
(( segid "PAH2" and resid 60 and name HN ))
(( segid "PAH2" and resid 57 and name HG3 ))
3.500 1.500 1.500 peak 1245 weight 0.10000E+01 volume 0.57667E-03 ppm1 8.318 ppm2 2.332 CV 1
OR { 1245}
(( segid "PAH2" and resid 74 and name HN ))
(( segid "PAH2" and resid 75 and name HG2 ))
OR { 1245}
(( segid "PAH2" and resid 60 and name HN ))
(( segid "PAH2" and resid 56 and name HG3 ))
OR { 1245}
(( segid "PAH2" and resid 74 and name HN ))
(( segid "PAH2" and resid 70 and name HG2 ))
ASSI { 1255}
(( segid "PAH2" and resid 42 and name HE22))
(( segid "PAH2" and resid 42 and name HB3 ))
2.800 0.900 0.900 peak 1255 weight 0.10000E+01 volume 0.22939E-02 ppm1 6.992 ppm2 2.078 CV 1
OR { 1255}
(( segid "PAH2" and resid 42 and name HE22))
(( segid "MAD1" and resid 203 and name HB2 ))
ASSI { 1267}
(( segid "PAH2" and resid 64 and name HD21))
(( segid "PAH2" and resid 60 and name HB ))
4.100 2.100 1.900 peak 1267 weight 0.10000E+01 volume 0.22039E-03 ppm1 7.680 ppm2 4.386 CV 1
OR { 1267}
(( segid "PAH2" and resid 64 and name HD21))
(( segid "PAH2" and resid 64 and name HA ))
ASSI { 1278}
(( segid "PAH2" and resid 9 and name HD22))
(( segid "PAH2" and resid 6 and name HN ))
4.700 2.700 1.300 peak 1278 weight 0.10000E+01 volume 0.97919E-04 ppm1 7.881 ppm2 8.553 CV 1
OR { 1278}
(( segid "PAH2" and resid 9 and name HD22))
(( segid "PAH2" and resid 7 and name HN ))
ASSI { 1285}
(( segid "PAH2" and resid 9 and name HD22))
(( segid "PAH2" and resid 5 and name HB ))
4.600 2.700 1.400 peak 1285 weight 0.10000E+01 volume 0.10158E-03 ppm1 7.881 ppm2 2.052 CV 1
OR { 1285}
(( segid "PAH2" and resid 9 and name HD22))
(( segid "PAH2" and resid 6 and name HB3 ))
OR { 1285}
(( segid "PAH2" and resid 9 and name HD22))
(( segid "PAH2" and resid 6 and name HB2 ))
ASSI { 1292}
(( segid "PAH2" and resid 9 and name HD21))
(( segid "PAH2" and resid 5 and name HB ))
5.000 3.100 1.000 peak 1292 weight 0.10000E+01 volume 0.66111E-04 ppm1 6.905 ppm2 2.039 CV 1
OR { 1292}
(( segid "PAH2" and resid 9 and name HD21))
(( segid "PAH2" and resid 6 and name HB3 ))
ASSI { 1317}
(( segid "PAH2" and resid 15 and name HD22))
(( segid "PAH2" and resid 19 and name HB ))
4.600 2.600 1.400 peak 1317 weight 0.10000E+01 volume 0.11167E-03 ppm1 6.747 ppm2 4.122 CV 1
OR { 1317}
(( segid "PAH2" and resid 15 and name HD22))
(( segid "MAD1" and resid 209 and name HA ))
ASSI { 1319}
(( segid "PAH2" and resid 15 and name HD22))
( segid "PAH2" and resid 19 and name HG2%)
4.100 2.100 1.900 peak 1319 weight 0.10000E+01 volume 0.21842E-03 ppm1 6.747 ppm2 1.142 CV 1
OR { 1319}
(( segid "PAH2" and resid 15 and name HD22))
(( segid "PAH2" and resid 11 and name HG12))
ASSI { 1345}
(( segid "PAH2" and resid 39 and name HE22))
(( segid "PAH2" and resid 39 and name HN ))
5.500 3.700 0.500 peak 1345 weight 0.10000E+01 volume 0.37572E-04 ppm1 7.386 ppm2 8.356 CV 1
OR { 1345}
(( segid "PAH2" and resid 39 and name HE22))
(( segid "PAH2" and resid 36 and name HE1 ))
ASSI { 616}
(( segid "PAH2" and resid 5 and name HA ))
(( segid "PAH2" and resid 4 and name HA ))
3.700 1.700 1.700 peak 616 weight 0.10000E+01 volume 0.39244E-03 ppm1 3.855 ppm2 4.541 CV 1
OR { 616}
(( segid "PAH2" and resid 5 and name HA ))
(( segid "PAH2" and resid 9 and name HA ))
ASSI { 666}
(( segid "PAH2" and resid 8 and name HA ))
(( segid "PAH2" and resid 8 and name HN ))
2.200 0.600 0.600 peak 666 weight 0.10000E+01 volume 0.79354E-02 ppm1 4.340 ppm2 8.407 CV 1
OR { 666}
(( segid "PAH2" and resid 8 and name HA ))
(( segid "PAH2" and resid 9 and name HN ))
ASSI { 673}
(( segid "PAH2" and resid 8 and name HB3 ))
(( segid "PAH2" and resid 8 and name HN ))
2.200 0.600 0.600 peak 673 weight 0.10000E+01 volume 0.74097E-02 ppm1 2.946 ppm2 8.395 CV 1
OR { 673}
(( segid "PAH2" and resid 8 and name HB3 ))
(( segid "PAH2" and resid 9 and name HN ))
ASSI { 695}
(( segid "PAH2" and resid 10 and name HA ))
(( segid "PAH2" and resid 10 and name HN ))
2.500 0.800 0.800 peak 695 weight 0.10000E+01 volume 0.35060E-02 ppm1 4.123 ppm2 8.168 CV 1
OR { 695}
(( segid "PAH2" and resid 10 and name HA ))
(( segid "PAH2" and resid 13 and name HN ))
ASSI { 702}
( segid "PAH2" and resid 10 and name HB% )
(( segid "PAH2" and resid 11 and name HA ))
3.200 1.300 1.300 peak 702 weight 0.10000E+01 volume 0.90010E-03 ppm1 1.443 ppm2 3.434 CV 1
OR { 702}
( segid "PAH2" and resid 10 and name HB% )
(( segid "PAH2" and resid 13 and name HB2 ))
ASSI { 707}
( segid "PAH2" and resid 10 and name HB% )
( segid "PAH2" and resid 7 and name HD% )
2.600 0.900 0.900 peak 707 weight 0.10000E+01 volume 0.30193E-02 ppm1 1.443 ppm2 7.181 CV 1
OR { 707}
( segid "PAH2" and resid 10 and name HB% )
( segid "PAH2" and resid 79 and name HD% )
ASSI { 720}
(( segid "PAH2" and resid 11 and name HA ))
(( segid "PAH2" and resid 14 and name HN ))
3.300 1.300 1.300 peak 720 weight 0.10000E+01 volume 0.80775E-03 ppm1 3.438 ppm2 8.601 CV 1
OR { 720}
(( segid "PAH2" and resid 11 and name HA ))
(( segid "PAH2" and resid 15 and name HN ))
ASSI { 734}
( segid "PAH2" and resid 11 and name HG2%)
(( segid "PAH2" and resid 12 and name HA ))
2.700 0.900 0.900 peak 734 weight 0.10000E+01 volume 0.26285E-02 ppm1 0.898 ppm2 4.145 CV 1
OR { 734}
( segid "PAH2" and resid 11 and name HG2%)
(( segid "MAD1" and resid 208 and name HA ))
ASSI { 735}
( segid "PAH2" and resid 11 and name HG2%)
(( segid "MAD1" and resid 208 and name HA ))
2.900 1.000 1.000 peak 735 weight 0.10000E+01 volume 0.16737E-02 ppm1 0.898 ppm2 4.053 CV 1
OR { 735}
( segid "PAH2" and resid 11 and name HG2%)
(( segid "MAD1" and resid 212 and name HA ))
ASSI { 736}
( segid "PAH2" and resid 11 and name HG2%)
(( segid "PAH2" and resid 8 and name HA ))
2.900 1.000 1.000 peak 736 weight 0.10000E+01 volume 0.17753E-02 ppm1 0.898 ppm2 4.328 CV 1
OR { 736}
( segid "PAH2" and resid 11 and name HG2%)
(( segid "PAH2" and resid 15 and name HA ))
ASSI { 742}
( segid "PAH2" and resid 11 and name HG2%)
(( segid "PAH2" and resid 15 and name HN ))
3.500 1.500 1.500 peak 742 weight 0.10000E+01 volume 0.52059E-03 ppm1 0.898 ppm2 8.601 CV 1
OR { 742}
( segid "PAH2" and resid 11 and name HG2%)
(( segid "PAH2" and resid 14 and name HN ))
ASSI { 750}
(( segid "PAH2" and resid 11 and name HG13))
(( segid "MAD1" and resid 208 and name HA ))
3.600 1.600 1.600 peak 750 weight 0.10000E+01 volume 0.42640E-03 ppm1 0.547 ppm2 4.099 CV 1
OR { 750}
(( segid "PAH2" and resid 11 and name HG13))
(( segid "PAH2" and resid 10 and name HA ))
ASSI { 769}
(( segid "PAH2" and resid 12 and name HA ))
( segid "PAH2" and resid 11 and name HG2%)
3.000 1.100 1.100 peak 769 weight 0.10000E+01 volume 0.13513E-02 ppm1 4.193 ppm2 0.924 CV 1
OR { 769}
(( segid "PAH2" and resid 12 and name HA ))
( segid "MAD1" and resid 212 and name HD1%)
ASSI { 797}
(( segid "PAH2" and resid 14 and name HB ))
(( segid "PAH2" and resid 14 and name HA ))
2.700 0.900 0.900 peak 797 weight 0.10000E+01 volume 0.23784E-02 ppm1 2.061 ppm2 3.397 CV 1
OR { 797}
(( segid "PAH2" and resid 14 and name HB ))
(( segid "PAH2" and resid 11 and name HA ))
ASSI { 872}
(( segid "PAH2" and resid 17 and name HA ))
( segid "PAH2" and resid 72 and name HD2%)
3.000 1.100 1.100 peak 872 weight 0.10000E+01 volume 0.12930E-02 ppm1 3.136 ppm2 0.497 CV 1
OR { 872}
(( segid "PAH2" and resid 17 and name HA ))
(( segid "PAH2" and resid 20 and name HG3 ))
ASSI { 885}
(( segid "PAH2" and resid 17 and name HB ))
(( segid "PAH2" and resid 16 and name HN ))
5.000 3.200 1.000 peak 885 weight 0.10000E+01 volume 0.58113E-04 ppm1 1.843 ppm2 8.015 CV 1
OR { 885}
(( segid "PAH2" and resid 17 and name HB ))
(( segid "PAH2" and resid 20 and name HN ))
ASSI { 893}
( segid "PAH2" and resid 17 and name HG2%)
( segid "PAH2" and resid 66 and name HE% )
2.200 0.600 0.600 peak 893 weight 0.10000E+01 volume 0.77720E-02 ppm1 0.808 ppm2 6.718 CV 1
OR { 893}
( segid "PAH2" and resid 17 and name HG2%)
( segid "PAH2" and resid 28 and name HE% )
ASSI { 898}
( segid "PAH2" and resid 17 and name HG2%)
(( segid "PAH2" and resid 31 and name HN ))
3.800 1.800 1.800 peak 898 weight 0.10000E+01 volume 0.31109E-03 ppm1 0.808 ppm2 8.103 CV 1
OR { 898}
( segid "PAH2" and resid 17 and name HG2%)
(( segid "PAH2" and resid 19 and name HN ))
ASSI { 918}
( segid "PAH2" and resid 17 and name HD1%)
( segid "PAH2" and resid 13 and name HE% )
2.100 0.500 0.500 peak 918 weight 0.10000E+01 volume 0.11672E-01 ppm1 0.017 ppm2 6.845 CV 1
OR { 918}
( segid "PAH2" and resid 17 and name HD1%)
( segid "PAH2" and resid 31 and name HD% )
ASSI { 922}
( segid "PAH2" and resid 17 and name HD1%)
(( segid "PAH2" and resid 16 and name HN ))
3.600 1.700 1.700 peak 922 weight 0.10000E+01 volume 0.40927E-03 ppm1 0.017 ppm2 7.964 CV 1
OR { 922}
( segid "PAH2" and resid 17 and name HD1%)
(( segid "PAH2" and resid 20 and name HN ))
OR { 922}
( segid "PAH2" and resid 17 and name HD1%)
(( segid "PAH2" and resid 75 and name HN ))
ASSI { 974}
(( segid "PAH2" and resid 19 and name HA ))
(( segid "PAH2" and resid 22 and name HN ))
2.800 1.000 1.000 peak 974 weight 0.10000E+01 volume 0.19437E-02 ppm1 3.761 ppm2 7.236 CV 1
OR { 974}
(( segid "PAH2" and resid 19 and name HA ))
(( segid "PAH2" and resid 21 and name HN ))
ASSI { 977}
(( segid "PAH2" and resid 19 and name HA ))
(( segid "PAH2" and resid 22 and name HB3 ))
3.100 1.200 1.200 peak 977 weight 0.10000E+01 volume 0.99743E-03 ppm1 3.761 ppm2 1.603 CV 1
OR { 977}
(( segid "PAH2" and resid 19 and name HA ))
(( segid "PAH2" and resid 18 and name HB2 ))
ASSI { 994}
(( segid "PAH2" and resid 20 and name HA ))
(( segid "PAH2" and resid 21 and name HN ))
2.800 1.000 1.000 peak 994 weight 0.10000E+01 volume 0.20275E-02 ppm1 3.799 ppm2 7.236 CV 1
OR { 994}
(( segid "PAH2" and resid 20 and name HA ))
(( segid "PAH2" and resid 22 and name HN ))
ASSI { 1013}
(( segid "PAH2" and resid 22 and name HA ))
(( segid "PAH2" and resid 24 and name HN ))
3.200 1.300 1.300 peak 1013 weight 0.10000E+01 volume 0.93491E-03 ppm1 4.020 ppm2 7.705 CV 1
OR { 1013}
(( segid "PAH2" and resid 40 and name HA ))
(( segid "PAH2" and resid 42 and name HN ))
ASSI { 1018}
(( segid "PAH2" and resid 22 and name HB3 ))
(( segid "PAH2" and resid 19 and name HA ))
3.900 1.900 1.900 peak 1018 weight 0.10000E+01 volume 0.27572E-03 ppm1 1.588 ppm2 3.761 CV 1
OR { 1018}
(( segid "PAH2" and resid 22 and name HB3 ))
(( segid "PAH2" and resid 20 and name HA ))
ASSI { 1057}
(( segid "PAH2" and resid 24 and name HA ))
(( segid "PAH2" and resid 24 and name HB3 ))
2.100 0.600 0.600 peak 1057 weight 0.10000E+01 volume 0.10230E-01 ppm1 5.202 ppm2 3.485 CV 1
OR { 1057}
(( segid "PAH2" and resid 24 and name HA ))
(( segid "PAH2" and resid 25 and name HD3 ))
ASSI { 1112}
(( segid "PAH2" and resid 81 and name HD2 ))
(( segid "PAH2" and resid 81 and name HG2 ))
1.900 0.400 0.400 peak 1112 weight 0.10000E+01 volume 0.22727E-01 ppm1 3.732 ppm2 2.168 CV 1
OR { 1112}
(( segid "PAH2" and resid 25 and name HD2 ))
(( segid "PAH2" and resid 25 and name HG3 ))
OR { 1112}
(( segid "PAH2" and resid 81 and name HD2 ))
(( segid "PAH2" and resid 81 and name HG3 ))
OR { 1112}
(( segid "PAH2" and resid 81 and name HD3 ))
(( segid "PAH2" and resid 81 and name HG2 ))
ASSI { 1139}
(( segid "PAH2" and resid 27 and name HA ))
(( segid "PAH2" and resid 27 and name HN ))
2.400 0.700 0.700 peak 1139 weight 0.10000E+01 volume 0.46596E-02 ppm1 3.676 ppm2 8.245 CV 1
OR { 1139}
(( segid "PAH2" and resid 27 and name HA ))
(( segid "PAH2" and resid 30 and name HN ))
ASSI { 1197}
(( segid "PAH2" and resid 29 and name HA ))
(( segid "PAH2" and resid 30 and name HA ))
3.600 1.700 1.700 peak 1197 weight 0.10000E+01 volume 0.41688E-03 ppm1 3.758 ppm2 4.180 CV 1
OR { 1197}
(( segid "PAH2" and resid 29 and name HA ))
(( segid "PAH2" and resid 28 and name HA ))
ASSI { 1203}
(( segid "PAH2" and resid 29 and name HB2 ))
(( segid "PAH2" and resid 29 and name HN ))
2.500 0.800 0.800 peak 1203 weight 0.10000E+01 volume 0.39343E-02 ppm1 1.894 ppm2 8.300 CV 1
OR { 1203}
(( segid "PAH2" and resid 29 and name HB2 ))
(( segid "PAH2" and resid 30 and name HN ))
ASSI { 1206}
(( segid "PAH2" and resid 29 and name HB3 ))
(( segid "PAH2" and resid 30 and name HN ))
2.300 0.600 0.600 peak 1206 weight 0.10000E+01 volume 0.72036E-02 ppm1 1.956 ppm2 8.314 CV 1
OR { 1206}
(( segid "PAH2" and resid 29 and name HB3 ))
(( segid "PAH2" and resid 29 and name HN ))
ASSI { 1214}
(( segid "PAH2" and resid 29 and name HG2 ))
(( segid "PAH2" and resid 29 and name HN ))
2.600 0.800 0.800 peak 1214 weight 0.10000E+01 volume 0.32495E-02 ppm1 1.888 ppm2 8.314 CV 1
OR { 1214}
(( segid "PAH2" and resid 29 and name HG2 ))
(( segid "PAH2" and resid 30 and name HN ))
ASSI { 1228}
(( segid "PAH2" and resid 30 and name HB2 ))
(( segid "PAH2" and resid 26 and name HB2 ))
3.600 1.600 1.600 peak 1228 weight 0.10000E+01 volume 0.47001E-03 ppm1 3.889 ppm2 2.136 CV 1
OR { 1228}
(( segid "PAH2" and resid 30 and name HB3 ))
(( segid "PAH2" and resid 26 and name HB2 ))
OR { 1228}
(( segid "PAH2" and resid 30 and name HB2 ))
(( segid "PAH2" and resid 25 and name HG2 ))
ASSI { 1243}
(( segid "PAH2" and resid 31 and name HB3 ))
( segid "PAH2" and resid 17 and name HG2%)
3.200 1.300 1.300 peak 1243 weight 0.10000E+01 volume 0.91076E-03 ppm1 3.498 ppm2 0.788 CV 1
OR { 1243}
(( segid "PAH2" and resid 31 and name HB3 ))
( segid "PAH2" and resid 65 and name HD1%)
ASSI { 1279}
( segid "PAH2" and resid 32 and name HD2%)
(( segid "MAD1" and resid 209 and name HA ))
3.800 1.800 1.800 peak 1279 weight 0.10000E+01 volume 0.31493E-03 ppm1 0.612 ppm2 4.162 CV 1
OR { 1279}
( segid "PAH2" and resid 32 and name HD2%)
(( segid "PAH2" and resid 28 and name HA ))
ASSI { 1293}
( segid "PAH2" and resid 32 and name HD2%)
( segid "PAH2" and resid 28 and name HD% )
2.900 1.100 1.100 peak 1293 weight 0.10000E+01 volume 0.15096E-02 ppm1 0.612 ppm2 7.047 CV 1
OR { 1293}
( segid "PAH2" and resid 32 and name HD2%)
(( segid "PAH2" and resid 36 and name HD2 ))
ASSI { 1316}
( segid "PAH2" and resid 34 and name HG2%)
(( segid "PAH2" and resid 35 and name HA ))
2.600 0.900 0.900 peak 1316 weight 0.10000E+01 volume 0.28971E-02 ppm1 0.768 ppm2 3.851 CV 1
OR { 1316}
( segid "PAH2" and resid 34 and name HG2%)
(( segid "PAH2" and resid 31 and name HA ))
ASSI { 1317}
( segid "PAH2" and resid 34 and name HG2%)
( segid "PAH2" and resid 31 and name HD% )
2.800 1.000 1.000 peak 1317 weight 0.10000E+01 volume 0.19920E-02 ppm1 0.768 ppm2 6.850 CV 1
OR { 1317}
( segid "PAH2" and resid 34 and name HG2%)
(( segid "PAH2" and resid 76 and name HZ ))
ASSI { 1343}
( segid "PAH2" and resid 34 and name HD1%)
(( segid "PAH2" and resid 34 and name HN ))
2.500 0.800 0.800 peak 1343 weight 0.10000E+01 volume 0.38305E-02 ppm1 0.704 ppm2 8.018 CV 1
OR { 1343}
( segid "PAH2" and resid 34 and name HD1%)
(( segid "PAH2" and resid 61 and name HN ))
ASSI { 1357}
(( segid "PAH2" and resid 35 and name HB2 ))
( segid "MAD1" and resid 206 and name HD2%)
2.500 0.800 0.800 peak 1357 weight 0.10000E+01 volume 0.40118E-02 ppm1 1.141 ppm2 0.578 CV 1
OR { 1357}
(( segid "PAH2" and resid 35 and name HB2 ))
( segid "PAH2" and resid 35 and name HD2%)
ASSI { 1364}
(( segid "PAH2" and resid 35 and name HB3 ))
( segid "PAH2" and resid 35 and name HD2%)
2.600 0.800 0.800 peak 1364 weight 0.10000E+01 volume 0.33397E-02 ppm1 1.724 ppm2 0.578 CV 1
OR { 1364}
(( segid "PAH2" and resid 35 and name HB3 ))
( segid "MAD1" and resid 206 and name HD2%)
ASSI { 1365}
(( segid "PAH2" and resid 35 and name HB3 ))
( segid "MAD1" and resid 206 and name HD1%)
2.500 0.800 0.800 peak 1365 weight 0.10000E+01 volume 0.36366E-02 ppm1 1.724 ppm2 0.440 CV 1
OR { 1365}
(( segid "PAH2" and resid 35 and name HB3 ))
( segid "PAH2" and resid 35 and name HD1%)
ASSI { 1379}
( segid "PAH2" and resid 35 and name HD2%)
(( segid "PAH2" and resid 58 and name HB ))
3.000 1.100 1.100 peak 1379 weight 0.10000E+01 volume 0.14088E-02 ppm1 0.553 ppm2 2.152 CV 1
OR { 1379}
( segid "PAH2" and resid 35 and name HD2%)
(( segid "MAD1" and resid 202 and name HB ))
ASSI { 1381}
( segid "PAH2" and resid 35 and name HD2%)
(( segid "PAH2" and resid 32 and name HA ))
3.600 1.600 1.600 peak 1381 weight 0.10000E+01 volume 0.47115E-03 ppm1 0.553 ppm2 3.476 CV 1
OR { 1381}
( segid "PAH2" and resid 35 and name HD2%)
(( segid "PAH2" and resid 31 and name HB3 ))
ASSI { 1385}
( segid "PAH2" and resid 35 and name HD2%)
(( segid "PAH2" and resid 35 and name HN ))
2.500 0.800 0.800 peak 1385 weight 0.10000E+01 volume 0.37127E-02 ppm1 0.553 ppm2 7.350 CV 1
OR { 1385}
( segid "PAH2" and resid 35 and name HD2%)
( segid "PAH2" and resid 76 and name HD% )
ASSI { 1395}
( segid "PAH2" and resid 35 and name HD1%)
( segid "PAH2" and resid 31 and name HD% )
2.600 0.900 0.900 peak 1395 weight 0.10000E+01 volume 0.30399E-02 ppm1 0.417 ppm2 6.878 CV 1
OR { 1395}
( segid "PAH2" and resid 35 and name HD1%)
( segid "PAH2" and resid 13 and name HE% )
ASSI { 1414}
(( segid "PAH2" and resid 37 and name HA ))
(( segid "PAH2" and resid 38 and name HN ))
2.900 1.100 1.100 peak 1414 weight 0.10000E+01 volume 0.15878E-02 ppm1 3.863 ppm2 8.199 CV 1
OR { 1414}
(( segid "PAH2" and resid 37 and name HA ))
(( segid "PAH2" and resid 40 and name HN ))
ASSI { 1433}
(( segid "PAH2" and resid 38 and name HA ))
(( segid "PAH2" and resid 57 and name HG2 ))
3.600 1.600 1.600 peak 1433 weight 0.10000E+01 volume 0.44202E-03 ppm1 4.125 ppm2 2.352 CV 1
OR { 1433}
(( segid "PAH2" and resid 38 and name HA ))
(( segid "PAH2" and resid 39 and name HG2 ))
OR { 1433}
(( segid "PAH2" and resid 38 and name HA ))
(( segid "PAH2" and resid 57 and name HG3 ))
OR { 1433}
(( segid "PAH2" and resid 38 and name HA ))
(( segid "PAH2" and resid 39 and name HG3 ))
ASSI { 1446}
(( segid "PAH2" and resid 39 and name HA ))
( segid "MAD1" and resid 206 and name HD2%)
3.600 1.700 1.700 peak 1446 weight 0.10000E+01 volume 0.41019E-03 ppm1 3.900 ppm2 0.590 CV 1
OR { 1446}
(( segid "PAH2" and resid 39 and name HA ))
( segid "PAH2" and resid 35 and name HD2%)
ASSI { 1467}
(( segid "PAH2" and resid 41 and name HA ))
(( segid "PAH2" and resid 53 and name HN ))
4.400 2.400 1.600 peak 1467 weight 0.10000E+01 volume 0.14144E-03 ppm1 4.226 ppm2 8.324 CV 1
OR { 1467}
(( segid "PAH2" and resid 41 and name HA ))
(( segid "PAH2" and resid 39 and name HN ))
OR { 1467}
(( segid "PAH2" and resid 41 and name HA ))
(( segid "PAH2" and resid 46 and name HN ))
ASSI { 1657}
(( segid "PAH2" and resid 51 and name HG3 ))
(( segid "PAH2" and resid 51 and name HB2 ))
1.800 0.400 0.400 peak 1657 weight 0.10000E+01 volume 0.32480E-01 ppm1 1.554 ppm2 1.799 CV 1
OR { 1657}
(( segid "PAH2" and resid 48 and name HG3 ))
(( segid "PAH2" and resid 48 and name HB3 ))
ASSI { 1679}
(( segid "PAH2" and resid 53 and name HB2 ))
(( segid "PAH2" and resid 57 and name HG2 ))
3.200 1.300 1.300 peak 1679 weight 0.10000E+01 volume 0.83261E-03 ppm1 2.033 ppm2 2.382 CV 1
OR { 1679}
(( segid "PAH2" and resid 53 and name HB2 ))
(( segid "PAH2" and resid 57 and name HG3 ))
OR { 1679}
(( segid "PAH2" and resid 53 and name HB2 ))
(( segid "PAH2" and resid 56 and name HG2 ))
ASSI { 1691}
( segid "PAH2" and resid 53 and name HE% )
( segid "PAH2" and resid 35 and name HD2%)
3.500 1.600 1.600 peak 1691 weight 0.10000E+01 volume 0.48976E-03 ppm1 2.068 ppm2 0.547 CV 1
OR { 1691}
( segid "PAH2" and resid 53 and name HE% )
( segid "PAH2" and resid 62 and name HG2%)
OR { 1691}
( segid "PAH2" and resid 53 and name HE% )
( segid "MAD1" and resid 202 and name HD1%)
ASSI { 1716}
(( segid "PAH2" and resid 55 and name HA ))
(( segid "PAH2" and resid 58 and name HB ))
2.100 0.600 0.600 peak 1716 weight 0.10000E+01 volume 0.98677E-02 ppm1 3.843 ppm2 2.134 CV 1
OR { 1716}
(( segid "PAH2" and resid 55 and name HA ))
(( segid "PAH2" and resid 55 and name HB2 ))
ASSI { 1725}
(( segid "PAH2" and resid 21 and name HB3 ))
( segid "PAH2" and resid 27 and name HD1%)
3.400 1.400 1.400 peak 1725 weight 0.10000E+01 volume 0.65039E-03 ppm1 2.427 ppm2 0.691 CV 1
OR { 1725}
(( segid "PAH2" and resid 21 and name HB3 ))
(( segid "PAH2" and resid 18 and name HG3 ))
ASSI { 1730}
(( segid "PAH2" and resid 56 and name HA ))
(( segid "PAH2" and resid 59 and name HN ))
3.500 1.500 1.500 peak 1730 weight 0.10000E+01 volume 0.54447E-03 ppm1 4.040 ppm2 8.369 CV 1
OR { 1730}
(( segid "PAH2" and resid 56 and name HA ))
(( segid "PAH2" and resid 60 and name HN ))
ASSI { 1736}
(( segid "PAH2" and resid 58 and name HA ))
( segid "PAH2" and resid 62 and name HG2%)
3.400 1.500 1.500 peak 1736 weight 0.10000E+01 volume 0.57374E-03 ppm1 3.583 ppm2 0.572 CV 1
OR { 1736}
(( segid "PAH2" and resid 58 and name HA ))
( segid "PAH2" and resid 35 and name HD2%)
ASSI { 1738}
(( segid "PAH2" and resid 58 and name HA ))
(( segid "PAH2" and resid 59 and name HN ))
2.900 1.100 1.100 peak 1738 weight 0.10000E+01 volume 0.15999E-02 ppm1 3.583 ppm2 8.369 CV 1
OR { 1738}
(( segid "PAH2" and resid 58 and name HA ))
(( segid "PAH2" and resid 62 and name HN ))
ASSI { 1744}
( segid "PAH2" and resid 58 and name HG1%)
( segid "PAH2" and resid 35 and name HD2%)
2.000 0.500 0.500 peak 1744 weight 0.10000E+01 volume 0.16311E-01 ppm1 0.791 ppm2 0.572 CV 1
OR { 1744}
( segid "PAH2" and resid 58 and name HG1%)
( segid "PAH2" and resid 62 and name HG2%)
ASSI { 1752}
( segid "PAH2" and resid 58 and name HG1%)
(( segid "PAH2" and resid 35 and name HN ))
3.100 1.200 1.200 peak 1752 weight 0.10000E+01 volume 0.11125E-02 ppm1 0.791 ppm2 7.328 CV 1
OR { 1752}
( segid "PAH2" and resid 58 and name HG1%)
( segid "PAH2" and resid 76 and name HD% )
ASSI { 1774}
(( segid "PAH2" and resid 59 and name HA ))
(( segid "PAH2" and resid 59 and name HN ))
2.300 0.700 0.700 peak 1774 weight 0.10000E+01 volume 0.59924E-02 ppm1 3.986 ppm2 8.369 CV 1
OR { 1774}
(( segid "PAH2" and resid 59 and name HA ))
(( segid "PAH2" and resid 60 and name HN ))
ASSI { 1781}
(( segid "PAH2" and resid 59 and name HB3 ))
(( segid "PAH2" and resid 59 and name HA ))
2.300 0.700 0.700 peak 1781 weight 0.10000E+01 volume 0.60741E-02 ppm1 3.303 ppm2 4.006 CV 1
OR { 1781}
(( segid "PAH2" and resid 59 and name HB3 ))
(( segid "PAH2" and resid 56 and name HA ))
OR { 1781}
(( segid "PAH2" and resid 7 and name HB3 ))
(( segid "PAH2" and resid 4 and name HB3 ))
ASSI { 1782}
(( segid "PAH2" and resid 7 and name HB3 ))
(( segid "PAH2" and resid 8 and name HN ))
2.300 0.700 0.700 peak 1782 weight 0.10000E+01 volume 0.61558E-02 ppm1 3.303 ppm2 8.369 CV 1
OR { 1782}
(( segid "PAH2" and resid 59 and name HB3 ))
(( segid "PAH2" and resid 59 and name HN ))
OR { 1782}
(( segid "PAH2" and resid 59 and name HB3 ))
(( segid "PAH2" and resid 60 and name HN ))
ASSI { 1784}
(( segid "PAH2" and resid 60 and name HA ))
( segid "PAH2" and resid 60 and name HG2%)
1.900 0.400 0.400 peak 1784 weight 0.10000E+01 volume 0.21227E-01 ppm1 3.778 ppm2 1.230 CV 1
OR { 1784}
(( segid "PAH2" and resid 60 and name HA ))
( segid "PAH2" and resid 63 and name HB% )
ASSI { 1796}
( segid "PAH2" and resid 37 and name HG2%)
(( segid "PAH2" and resid 57 and name HG2 ))
2.700 0.900 0.900 peak 1796 weight 0.10000E+01 volume 0.27693E-02 ppm1 1.247 ppm2 2.365 CV 1
OR { 1796}
( segid "PAH2" and resid 37 and name HG2%)
(( segid "PAH2" and resid 57 and name HG3 ))
OR { 1796}
( segid "PAH2" and resid 60 and name HG2%)
(( segid "PAH2" and resid 57 and name HG3 ))
ASSI { 1798}
( segid "PAH2" and resid 60 and name HG2%)
(( segid "PAH2" and resid 61 and name HA ))
2.600 0.800 0.800 peak 1798 weight 0.10000E+01 volume 0.33070E-02 ppm1 1.247 ppm2 4.082 CV 1
OR { 1798}
( segid "PAH2" and resid 37 and name HG2%)
(( segid "PAH2" and resid 38 and name HA ))
OR { 1798}
( segid "PAH2" and resid 60 and name HG2%)
(( segid "PAH2" and resid 57 and name HA ))
ASSI { 1805}
(( segid "PAH2" and resid 62 and name HA ))
( segid "PAH2" and resid 65 and name HD1%)
2.800 0.900 0.900 peak 1805 weight 0.10000E+01 volume 0.21931E-02 ppm1 2.977 ppm2 0.786 CV 1
OR { 1805}
(( segid "PAH2" and resid 62 and name HA ))
( segid "PAH2" and resid 34 and name HG2%)
ASSI { 1808}
(( segid "PAH2" and resid 62 and name HA ))
(( segid "PAH2" and resid 61 and name HA ))
3.300 1.300 1.300 peak 1808 weight 0.10000E+01 volume 0.77649E-03 ppm1 2.977 ppm2 4.095 CV 1
OR { 1808}
(( segid "PAH2" and resid 62 and name HA ))
(( segid "PAH2" and resid 65 and name HA ))
ASSI { 1834}
( segid "PAH2" and resid 62 and name HG2%)
( segid "PAH2" and resid 76 and name HD% )
3.100 1.200 1.200 peak 1834 weight 0.10000E+01 volume 0.99885E-03 ppm1 0.553 ppm2 7.348 CV 1
OR { 1834}
( segid "PAH2" and resid 62 and name HG2%)
(( segid "PAH2" and resid 35 and name HN ))
ASSI { 1835}
( segid "PAH2" and resid 62 and name HG2%)
(( segid "PAH2" and resid 61 and name HN ))
3.800 1.800 1.800 peak 1835 weight 0.10000E+01 volume 0.31066E-03 ppm1 0.552 ppm2 8.001 CV 1
OR { 1835}
( segid "PAH2" and resid 62 and name HG2%)
(( segid "PAH2" and resid 34 and name HN ))
ASSI { 1847}
( segid "PAH2" and resid 63 and name HB% )
(( segid "PAH2" and resid 63 and name HA ))
1.900 0.400 0.400 peak 1847 weight 0.10000E+01 volume 0.21973E-01 ppm1 1.178 ppm2 3.774 CV 1
OR { 1847}
( segid "PAH2" and resid 63 and name HB% )
(( segid "PAH2" and resid 60 and name HA ))
ASSI { 1852}
( segid "PAH2" and resid 63 and name HB% )
(( segid "PAH2" and resid 62 and name HN ))
3.200 1.300 1.300 peak 1852 weight 0.10000E+01 volume 0.81840E-03 ppm1 1.178 ppm2 8.349 CV 1
OR { 1852}
( segid "PAH2" and resid 63 and name HB% )
(( segid "PAH2" and resid 60 and name HN ))
ASSI { 1858}
(( segid "PAH2" and resid 64 and name HA ))
(( segid "PAH2" and resid 64 and name HN ))
2.200 0.600 0.600 peak 1858 weight 0.10000E+01 volume 0.76157E-02 ppm1 4.443 ppm2 7.564 CV 1
OR { 1858}
(( segid "PAH2" and resid 64 and name HA ))
(( segid "PAH2" and resid 65 and name HN ))
ASSI { 1879}
( segid "PAH2" and resid 65 and name HD1%)
(( segid "PAH2" and resid 31 and name HB2 ))
2.400 0.700 0.700 peak 1879 weight 0.10000E+01 volume 0.45950E-02 ppm1 0.774 ppm2 3.021 CV 1
OR { 1879}
( segid "PAH2" and resid 65 and name HD1%)
(( segid "PAH2" and resid 62 and name HA ))
ASSI { 1880}
(( segid "PAH2" and resid 65 and name HG ))
( segid "PAH2" and resid 27 and name HG2%)
3.000 1.200 1.200 peak 1880 weight 0.10000E+01 volume 0.12035E-02 ppm1 1.589 ppm2 -0.004 CV 1
OR { 1880}
(( segid "PAH2" and resid 72 and name HG ))
( segid "PAH2" and resid 17 and name HD1%)
ASSI { 1883}
( segid "PAH2" and resid 65 and name HD1%)
(( segid "PAH2" and resid 31 and name HA ))
2.200 0.600 0.600 peak 1883 weight 0.10000E+01 volume 0.74950E-02 ppm1 0.774 ppm2 3.897 CV 1
OR { 1883}
( segid "PAH2" and resid 65 and name HD1%)
(( segid "PAH2" and resid 30 and name HB3 ))
OR { 1883}
( segid "PAH2" and resid 65 and name HD1%)
(( segid "PAH2" and resid 30 and name HB2 ))
OR { 1883}
( segid "PAH2" and resid 65 and name HD2%)
(( segid "PAH2" and resid 30 and name HB3 ))
ASSI { 1887}
( segid "PAH2" and resid 65 and name HD2%)
( segid "PAH2" and resid 21 and name HD% )
3.400 1.400 1.400 peak 1887 weight 0.10000E+01 volume 0.65749E-03 ppm1 0.774 ppm2 7.317 CV 1
OR { 1887}
( segid "PAH2" and resid 65 and name HD1%)
(( segid "PAH2" and resid 35 and name HN ))
OR { 1887}
( segid "PAH2" and resid 65 and name HD1%)
( segid "PAH2" and resid 21 and name HD% )
ASSI { 1895}
( segid "PAH2" and resid 73 and name HD2%)
(( segid "PAH2" and resid 77 and name HA2 ))
4.200 2.200 1.800 peak 1895 weight 0.10000E+01 volume 0.18790E-03 ppm1 0.829 ppm2 3.514 CV 1
OR { 1895}
( segid "PAH2" and resid 73 and name HD2%)
(( segid "PAH2" and resid 31 and name HB3 ))
ASSI { 1956}
(( segid "PAH2" and resid 70 and name HB3 ))
(( segid "PAH2" and resid 70 and name HA ))
1.900 0.400 0.400 peak 1956 weight 0.10000E+01 volume 0.23160E-01 ppm1 2.139 ppm2 3.937 CV 1
OR { 1956}
(( segid "PAH2" and resid 39 and name HB2 ))
(( segid "PAH2" and resid 39 and name HA ))
OR { 1956}
(( segid "PAH2" and resid 39 and name HB3 ))
(( segid "PAH2" and resid 39 and name HA ))
ASSI { 1958}
(( segid "PAH2" and resid 57 and name HG2 ))
(( segid "PAH2" and resid 54 and name HN ))
3.000 1.100 1.100 peak 1958 weight 0.10000E+01 volume 0.13854E-02 ppm1 2.387 ppm2 8.991 CV 1
OR { 1958}
(( segid "PAH2" and resid 70 and name HG2 ))
(( segid "PAH2" and resid 71 and name HN ))
OR { 1958}
(( segid "PAH2" and resid 57 and name HG3 ))
(( segid "PAH2" and resid 54 and name HN ))
ASSI { 1975}
(( segid "PAH2" and resid 72 and name HA ))
(( segid "PAH2" and resid 75 and name HN ))
2.600 0.800 0.800 peak 1975 weight 0.10000E+01 volume 0.30712E-02 ppm1 4.307 ppm2 7.970 CV 1
OR { 1975}
(( segid "PAH2" and resid 8 and name HA ))
(( segid "PAH2" and resid 12 and name HN ))
ASSI { 1994}
( segid "PAH2" and resid 72 and name HD2%)
(( segid "PAH2" and resid 72 and name HG ))
2.000 0.500 0.500 peak 1994 weight 0.10000E+01 volume 0.17412E-01 ppm1 0.493 ppm2 1.601 CV 1
OR { 1994}
( segid "PAH2" and resid 72 and name HD2%)
(( segid "PAH2" and resid 16 and name HD3 ))
OR { 1994}
( segid "PAH2" and resid 72 and name HD2%)
(( segid "PAH2" and resid 72 and name HB2 ))
ASSI { 2003}
( segid "PAH2" and resid 72 and name HD2%)
(( segid "PAH2" and resid 73 and name HN ))
2.900 1.100 1.100 peak 2003 weight 0.10000E+01 volume 0.14613E-02 ppm1 0.493 ppm2 7.946 CV 1
OR { 2003}
( segid "PAH2" and resid 72 and name HD2%)
(( segid "PAH2" and resid 75 and name HN ))
OR { 2003}
( segid "PAH2" and resid 72 and name HD2%)
(( segid "PAH2" and resid 16 and name HN ))
ASSI { 2005}
( segid "PAH2" and resid 72 and name HD1%)
(( segid "PAH2" and resid 20 and name HG2 ))
2.600 0.800 0.800 peak 2005 weight 0.10000E+01 volume 0.31898E-02 ppm1 0.182 ppm2 0.875 CV 1
OR { 2005}
( segid "PAH2" and resid 72 and name HD1%)
( segid "PAH2" and resid 73 and name HD2%)
ASSI { 2017}
( segid "PAH2" and resid 72 and name HD1%)
(( segid "PAH2" and resid 20 and name HN ))
3.800 1.800 1.800 peak 2017 weight 0.10000E+01 volume 0.33631E-03 ppm1 0.182 ppm2 7.958 CV 1
OR { 2017}
( segid "PAH2" and resid 72 and name HD1%)
(( segid "PAH2" and resid 16 and name HN ))
ASSI { 2071}
(( segid "PAH2" and resid 76 and name HA ))
( segid "PAH2" and resid 13 and name HE% )
3.100 1.200 1.200 peak 2071 weight 0.10000E+01 volume 0.11481E-02 ppm1 4.353 ppm2 6.875 CV 1
OR { 2071}
(( segid "PAH2" and resid 76 and name HA ))
(( segid "PAH2" and resid 80 and name HN ))
ASSI { 2151}
( segid "PAH2" and resid 80 and name HD2%)
(( segid "PAH2" and resid 59 and name HN ))
3.900 1.900 1.900 peak 2151 weight 0.10000E+01 volume 0.28196E-03 ppm1 0.678 ppm2 8.363 CV 1
OR { 2151}
( segid "PAH2" and resid 80 and name HD2%)
(( segid "PAH2" and resid 60 and name HN ))
ASSI { 2157}
( segid "PAH2" and resid 80 and name HD1%)
(( segid "PAH2" and resid 77 and name HA1 ))
3.400 1.500 1.500 peak 2157 weight 0.10000E+01 volume 0.58262E-03 ppm1 0.688 ppm2 3.834 CV 1
OR { 2157}
( segid "PAH2" and resid 80 and name HD1%)
(( segid "PAH2" and resid 55 and name HA ))
ASSI { 2352}
(( segid "PAH2" and resid 17 and name HA ))
( segid "PAH2" and resid 28 and name HD% )
4.700 2.800 1.300 peak 2352 weight 0.10000E+01 volume 0.88518E-04 ppm1 3.136 ppm2 7.059 CV 1
OR { 2352}
(( segid "PAH2" and resid 17 and name HA ))
( segid "PAH2" and resid 13 and name HD% )
ASSI { 2438}
(( segid "PAH2" and resid 32 and name HA ))
( segid "PAH2" and resid 34 and name HD1%)
3.600 1.700 1.700 peak 2438 weight 0.10000E+01 volume 0.41304E-03 ppm1 3.455 ppm2 0.756 CV 1
OR { 2438}
(( segid "PAH2" and resid 32 and name HA ))
( segid "PAH2" and resid 34 and name HG2%)
OR { 2438}
(( segid "PAH2" and resid 32 and name HA ))
( segid "PAH2" and resid 65 and name HD1%)
OR { 2438}
(( segid "PAH2" and resid 32 and name HA ))
( segid "PAH2" and resid 17 and name HG2%)
ASSI { 2457}
(( segid "PAH2" and resid 39 and name HG2 ))
(( segid "PAH2" and resid 40 and name HN ))
3.400 1.500 1.500 peak 2457 weight 0.10000E+01 volume 0.59149E-03 ppm1 2.354 ppm2 8.173 CV 1
OR { 2457}
(( segid "PAH2" and resid 39 and name HG3 ))
(( segid "PAH2" and resid 40 and name HN ))
OR { 2457}
(( segid "PAH2" and resid 39 and name HG2 ))
(( segid "PAH2" and resid 38 and name HN ))
ASSI { 2514}
(( segid "PAH2" and resid 57 and name HG3 ))
( segid "PAH2" and resid 58 and name HG2%)
3.400 1.500 1.500 peak 2514 weight 0.10000E+01 volume 0.59419E-03 ppm1 2.387 ppm2 0.816 CV 1
OR { 2514}
(( segid "PAH2" and resid 70 and name HG2 ))
( segid "PAH2" and resid 73 and name HD2%)
OR { 2514}
(( segid "PAH2" and resid 57 and name HG2 ))
( segid "PAH2" and resid 58 and name HG2%)
OR { 2514}
(( segid "PAH2" and resid 57 and name HG3 ))
( segid "PAH2" and resid 34 and name HG2%)
OR { 2514}
(( segid "PAH2" and resid 70 and name HG2 ))
( segid "PAH2" and resid 73 and name HD1%)
ASSI { 2526}
(( segid "PAH2" and resid 72 and name HG ))
(( segid "PAH2" and resid 74 and name HN ))
4.400 2.500 1.600 peak 2526 weight 0.10000E+01 volume 0.12497E-03 ppm1 1.560 ppm2 8.294 CV 1
OR { 2526}
(( segid "PAH2" and resid 65 and name HG ))
(( segid "PAH2" and resid 62 and name HN ))
OR { 2526}
(( segid "PAH2" and resid 65 and name HG ))
(( segid "PAH2" and resid 30 and name HN ))
ASSI { 2531}
( segid "PAH2" and resid 62 and name HG2%)
( segid "PAH2" and resid 34 and name HG2%)
1.800 0.400 0.400 peak 2531 weight 0.10000E+01 volume 0.28750E-01 ppm1 0.553 ppm2 0.793 CV 1
OR { 2531}
( segid "PAH2" and resid 62 and name HG2%)
( segid "PAH2" and resid 58 and name HG1%)
ASSI { 2538}
(( segid "PAH2" and resid 74 and name HB3 ))
(( segid "PAH2" and resid 75 and name HG2 ))
2.700 0.900 0.900 peak 2538 weight 0.10000E+01 volume 0.23558E-02 ppm1 4.071 ppm2 2.077 CV 1
OR { 2538}
(( segid "PAH2" and resid 74 and name HB2 ))
(( segid "PAH2" and resid 70 and name HB3 ))
OR { 2538}
(( segid "PAH2" and resid 74 and name HB2 ))
(( segid "PAH2" and resid 73 and name HB3 ))
OR { 2538}
(( segid "PAH2" and resid 74 and name HB2 ))
(( segid "PAH2" and resid 75 and name HG2 ))
OR { 2538}
(( segid "PAH2" and resid 74 and name HB2 ))
(( segid "PAH2" and resid 70 and name HB2 ))
OR { 2538}
(( segid "PAH2" and resid 74 and name HB3 ))
(( segid "PAH2" and resid 73 and name HB3 ))
ASSI { 2539}
(( segid "PAH2" and resid 74 and name HB2 ))
(( segid "PAH2" and resid 73 and name HB2 ))
3.200 1.300 1.300 peak 2539 weight 0.10000E+01 volume 0.90082E-03 ppm1 4.072 ppm2 1.873 CV 1
OR { 2539}
(( segid "PAH2" and resid 74 and name HB3 ))
(( segid "PAH2" and resid 73 and name HB2 ))
OR { 2539}
(( segid "PAH2" and resid 74 and name HB3 ))
(( segid "PAH2" and resid 75 and name HB3 ))
ASSI { 2549}
(( segid "PAH2" and resid 75 and name HG2 ))
(( segid "PAH2" and resid 78 and name HE22))
3.600 1.600 1.600 peak 2549 weight 0.10000E+01 volume 0.44934E-03 ppm1 2.031 ppm2 6.968 CV 1
OR { 2549}
(( segid "PAH2" and resid 75 and name HG2 ))
( segid "PAH2" and resid 13 and name HD% )
ASSI { 2557}
( segid "PAH2" and resid 80 and name HD2%)
(( segid "PAH2" and resid 79 and name HN ))
4.300 2.300 1.700 peak 2557 weight 0.10000E+01 volume 0.15203E-03 ppm1 0.677 ppm2 7.667 CV 1
OR { 2557}
( segid "PAH2" and resid 80 and name HD2%)
(( segid "MAD1" and resid 201 and name HD22))
ASSI { 2558}
( segid "PAH2" and resid 80 and name HD1%)
(( segid "PAH2" and resid 79 and name HN ))
5.900 4.400 0.100 peak 2558 weight 0.10000E+01 volume 0.22378E-04 ppm1 0.688 ppm2 7.677 CV 1
OR { 2558}
( segid "PAH2" and resid 80 and name HD1%)
(( segid "PAH2" and resid 76 and name HN ))
ASSI { 2608}
(( segid "PAH2" and resid 73 and name HB2 ))
( segid "PAH2" and resid 73 and name HD2%)
2.100 0.600 0.600 peak 2608 weight 0.10000E+01 volume 0.10060E-01 ppm1 1.832 ppm2 0.870 CV 1
OR { 2608}
(( segid "PAH2" and resid 22 and name HB2 ))
( segid "PAH2" and resid 22 and name HD1%)
OR { 2608}
(( segid "PAH2" and resid 22 and name HB2 ))
( segid "PAH2" and resid 22 and name HD2%)
ASSI { 2612}
(( segid "PAH2" and resid 71 and name HB3 ))
(( segid "PAH2" and resid 71 and name HA ))
1.800 0.400 0.400 peak 2612 weight 0.10000E+01 volume 0.24453E-01 ppm1 2.815 ppm2 4.440 CV 1
OR { 2612}
(( segid "PAH2" and resid 64 and name HB3 ))
(( segid "PAH2" and resid 64 and name HA ))
ASSI { 2658}
( segid "PAH2" and resid 11 and name HD1%)
(( segid "PAH2" and resid 8 and name HB2 ))
3.900 1.900 1.900 peak 2658 weight 0.10000E+01 volume 0.25817E-03 ppm1 0.374 ppm2 2.792 CV 1
OR { 2658}
( segid "PAH2" and resid 11 and name HD1%)
(( segid "PAH2" and resid 15 and name HB2 ))
OR { 2658}
( segid "PAH2" and resid 11 and name HD1%)
(( segid "PAH2" and resid 15 and name HB3 ))
ASSI { 2659}
( segid "PAH2" and resid 11 and name HD1%)
(( segid "PAH2" and resid 8 and name HB3 ))
4.200 2.200 1.800 peak 2659 weight 0.10000E+01 volume 0.18720E-03 ppm1 0.374 ppm2 2.932 CV 1
OR { 2659}
( segid "PAH2" and resid 11 and name HD1%)
(( segid "MAD1" and resid 210 and name HB3 ))
ASSI { 2666}
( segid "PAH2" and resid 14 and name HG2%)
(( segid "PAH2" and resid 13 and name HA ))
4.000 2.000 2.000 peak 2666 weight 0.10000E+01 volume 0.25205E-03 ppm1 1.246 ppm2 4.412 CV 1
OR { 2666}
( segid "PAH2" and resid 14 and name HG2%)
(( segid "PAH2" and resid 15 and name HA ))
ASSI { 2670}
( segid "PAH2" and resid 14 and name HG2%)
(( segid "PAH2" and resid 17 and name HN ))
4.100 2.100 1.900 peak 2670 weight 0.10000E+01 volume 0.19956E-03 ppm1 1.246 ppm2 7.674 CV 1
OR { 2670}
( segid "PAH2" and resid 14 and name HG2%)
(( segid "MAD1" and resid 205 and name HN ))
OR { 2670}
( segid "PAH2" and resid 14 and name HG2%)
(( segid "MAD1" and resid 213 and name HN ))
ASSI { 2671}
( segid "PAH2" and resid 14 and name HG2%)
(( segid "PAH2" and resid 12 and name HN ))
3.900 1.900 1.900 peak 2671 weight 0.10000E+01 volume 0.26243E-03 ppm1 1.246 ppm2 7.994 CV 1
OR { 2671}
( segid "PAH2" and resid 14 and name HG2%)
(( segid "PAH2" and resid 16 and name HN ))
ASSI { 2672}
( segid "PAH2" and resid 14 and name HG2%)
(( segid "PAH2" and resid 13 and name HN ))
3.200 1.300 1.300 peak 2672 weight 0.10000E+01 volume 0.86955E-03 ppm1 1.246 ppm2 8.173 CV 1
OR { 2672}
( segid "PAH2" and resid 14 and name HG2%)
(( segid "MAD1" and resid 212 and name HN ))
ASSI { 2675}
( segid "PAH2" and resid 14 and name HG2%)
( segid "PAH2" and resid 11 and name HD1%)
4.400 2.400 1.600 peak 2675 weight 0.10000E+01 volume 0.13825E-03 ppm1 1.246 ppm2 0.422 CV 1
OR { 2675}
( segid "PAH2" and resid 14 and name HG2%)
( segid "PAH2" and resid 35 and name HD1%)
ASSI { 2696}
(( segid "PAH2" and resid 14 and name HB ))
( segid "PAH2" and resid 17 and name HG2%)
4.300 2.300 1.700 peak 2696 weight 0.10000E+01 volume 0.15032E-03 ppm1 2.061 ppm2 0.772 CV 1
OR { 2696}
(( segid "PAH2" and resid 14 and name HB ))
(( segid "PAH2" and resid 18 and name HG3 ))
ASSI { 2697}
(( segid "PAH2" and resid 14 and name HB ))
( segid "PAH2" and resid 28 and name HE% )
3.700 1.700 1.700 peak 2697 weight 0.10000E+01 volume 0.37446E-03 ppm1 2.065 ppm2 6.788 CV 1
OR { 2697}
(( segid "PAH2" and resid 14 and name HB ))
(( segid "PAH2" and resid 15 and name HD22))
ASSI { 2698}
(( segid "PAH2" and resid 14 and name HB ))
( segid "PAH2" and resid 13 and name HD% )
4.800 2.800 1.200 peak 2698 weight 0.10000E+01 volume 0.83474E-04 ppm1 2.063 ppm2 7.014 CV 1
OR { 2698}
(( segid "PAH2" and resid 14 and name HB ))
( segid "PAH2" and resid 28 and name HD% )
ASSI { 2699}
( segid "PAH2" and resid 17 and name HD1%)
(( segid "PAH2" and resid 14 and name HN ))
4.900 3.000 1.100 peak 2699 weight 0.10000E+01 volume 0.70687E-04 ppm1 0.017 ppm2 8.629 CV 1
OR { 2699}
( segid "PAH2" and resid 17 and name HD1%)
(( segid "PAH2" and resid 15 and name HN ))
ASSI { 2704}
(( segid "PAH2" and resid 6 and name HG3 ))
(( segid "PAH2" and resid 5 and name HN ))
3.000 1.100 1.100 peak 2704 weight 0.10000E+01 volume 0.13839E-02 ppm1 2.371 ppm2 8.407 CV 1
OR { 2704}
(( segid "PAH2" and resid 6 and name HG2 ))
(( segid "PAH2" and resid 5 and name HN ))
OR { 2704}
(( segid "PAH2" and resid 56 and name HG3 ))
(( segid "PAH2" and resid 59 and name HN ))
OR { 2704}
(( segid "PAH2" and resid 6 and name HG2 ))
(( segid "PAH2" and resid 9 and name HN ))
OR { 2704}
(( segid "PAH2" and resid 56 and name HG2 ))
(( segid "PAH2" and resid 59 and name HN ))
ASSI { 2706}
(( segid "PAH2" and resid 64 and name HB2 ))
(( segid "PAH2" and resid 64 and name HN ))
2.000 0.500 0.500 peak 2706 weight 0.10000E+01 volume 0.16240E-01 ppm1 2.793 ppm2 7.554 CV 1
OR { 2706}
(( segid "PAH2" and resid 64 and name HB2 ))
(( segid "PAH2" and resid 65 and name HN ))
ASSI { 2711}
( segid "PAH2" and resid 10 and name HB% )
(( segid "PAH2" and resid 14 and name HN ))
3.400 1.500 1.500 peak 2711 weight 0.10000E+01 volume 0.57189E-03 ppm1 1.442 ppm2 8.576 CV 1
OR { 2711}
( segid "PAH2" and resid 10 and name HB% )
(( segid "PAH2" and resid 7 and name HN ))
ASSI { 2714}
( segid "PAH2" and resid 11 and name HD1%)
(( segid "MAD1" and resid 209 and name HN ))
3.600 1.600 1.600 peak 2714 weight 0.10000E+01 volume 0.44586E-03 ppm1 0.374 ppm2 8.406 CV 1
OR { 2714}
( segid "PAH2" and resid 11 and name HD1%)
(( segid "PAH2" and resid 8 and name HN ))
OR { 2714}
( segid "PAH2" and resid 11 and name HD1%)
(( segid "PAH2" and resid 9 and name HN ))
ASSI { 2721}
(( segid "PAH2" and resid 16 and name HG3 ))
(( segid "PAH2" and resid 16 and name HN ))
3.600 1.600 1.600 peak 2721 weight 0.10000E+01 volume 0.42675E-03 ppm1 1.533 ppm2 7.970 CV 1
OR { 2721}
(( segid "PAH2" and resid 16 and name HG3 ))
(( segid "PAH2" and resid 20 and name HN ))
ASSI { 2745}
( segid "PAH2" and resid 34 and name HD1%)
(( segid "PAH2" and resid 31 and name HB3 ))
3.500 1.500 1.500 peak 2745 weight 0.10000E+01 volume 0.53565E-03 ppm1 0.704 ppm2 3.526 CV 1
OR { 2745}
( segid "PAH2" and resid 34 and name HD1%)
(( segid "PAH2" and resid 58 and name HA ))
ASSI { 2748}
( segid "PAH2" and resid 37 and name HG2%)
(( segid "PAH2" and resid 40 and name HB2 ))
3.000 1.100 1.100 peak 2748 weight 0.10000E+01 volume 0.13882E-02 ppm1 1.277 ppm2 1.930 CV 1
OR { 2748}
( segid "PAH2" and resid 37 and name HG2%)
(( segid "PAH2" and resid 53 and name HB3 ))
ASSI { 2754}
( segid "PAH2" and resid 58 and name HG1%)
(( segid "PAH2" and resid 59 and name HB3 ))
3.800 1.800 1.800 peak 2754 weight 0.10000E+01 volume 0.32139E-03 ppm1 0.791 ppm2 3.244 CV 1
OR { 2754}
( segid "PAH2" and resid 58 and name HG1%)
(( segid "PAH2" and resid 76 and name HB3 ))
OR { 2754}
( segid "PAH2" and resid 58 and name HG1%)
(( segid "PAH2" and resid 36 and name HB3 ))
ASSI { 2756}
( segid "PAH2" and resid 22 and name HD1%)
(( segid "PAH2" and resid 19 and name HA ))
2.200 0.600 0.600 peak 2756 weight 0.10000E+01 volume 0.92710E-02 ppm1 0.901 ppm2 3.761 CV 1
OR { 2756}
(( segid "PAH2" and resid 20 and name HG2 ))
(( segid "PAH2" and resid 20 and name HA ))
ASSI { 310}
(( segid "PAH2" and resid 66 and name HZ ))
( segid "PAH2" and resid 62 and name HG2%)
3.800 1.800 1.800 peak 310 weight 0.10000E+01 volume 0.35533E-03 ppm1 6.005 ppm2 0.574 CV 1
OR { 310}
(( segid "PAH2" and resid 66 and name HZ ))
( segid "PAH2" and resid 32 and name HD2%)
ASSI { 328}
(( segid "PAH2" and resid 36 and name HD2 ))
(( segid "PAH2" and resid 32 and name HG ))
4.300 2.300 1.700 peak 328 weight 0.10000E+01 volume 0.16852E-03 ppm1 7.095 ppm2 1.433 CV 1
OR { 328}
(( segid "PAH2" and resid 36 and name HD2 ))
(( segid "PAH2" and resid 40 and name HG3 ))
ASSI { 342}
( segid "PAH2" and resid 13 and name HD% )
(( segid "PAH2" and resid 75 and name HN ))
3.700 1.700 1.700 peak 342 weight 0.10000E+01 volume 0.39060E-03 ppm1 7.007 ppm2 7.974 CV 1
OR { 342}
( segid "PAH2" and resid 13 and name HD% )
(( segid "PAH2" and resid 16 and name HN ))
ASSI { 346}
( segid "PAH2" and resid 13 and name HD% )
(( segid "PAH2" and resid 10 and name HA ))
3.500 1.500 1.500 peak 346 weight 0.10000E+01 volume 0.60745E-03 ppm1 7.007 ppm2 4.115 CV 1
OR { 346}
( segid "PAH2" and resid 13 and name HD% )
(( segid "PAH2" and resid 76 and name HB2 ))
OR { 346}
( segid "PAH2" and resid 13 and name HD% )
(( segid "PAH2" and resid 75 and name HA ))
ASSI { 364}
( segid "PAH2" and resid 13 and name HE% )
(( segid "PAH2" and resid 76 and name HB2 ))
3.300 1.300 1.300 peak 364 weight 0.10000E+01 volume 0.89484E-03 ppm1 6.825 ppm2 4.108 CV 1
OR { 364}
( segid "PAH2" and resid 13 and name HE% )
(( segid "PAH2" and resid 75 and name HA ))
ASSI { 368}
( segid "PAH2" and resid 13 and name HE% )
(( segid "PAH2" and resid 72 and name HB2 ))
3.300 1.400 1.400 peak 368 weight 0.10000E+01 volume 0.79948E-03 ppm1 6.825 ppm2 1.056 CV 1
OR { 368}
( segid "PAH2" and resid 13 and name HE% )
(( segid "PAH2" and resid 17 and name HG12))
ASSI { 374}
( segid "PAH2" and resid 28 and name HD% )
(( segid "PAH2" and resid 31 and name HN ))
4.300 2.300 1.700 peak 374 weight 0.10000E+01 volume 0.16591E-03 ppm1 7.048 ppm2 8.140 CV 1
OR { 374}
( segid "PAH2" and resid 28 and name HD% )
(( segid "PAH2" and resid 19 and name HN ))
ASSI { 380}
( segid "PAH2" and resid 28 and name HD% )
(( segid "PAH2" and resid 21 and name HB2 ))
3.100 3.100 2.900 peak 380 weight 0.10000E+01 volume 0.11561E-02 ppm1 7.048 ppm2 2.486 CV 1
OR { 380}
( segid "PAH2" and resid 28 and name HD% )
(( segid "PAH2" and resid 25 and name HB3 ))
ASSI { 383}
( segid "PAH2" and resid 28 and name HD% )
(( segid "PAH2" and resid 32 and name HG ))
3.500 1.500 1.500 peak 383 weight 0.10000E+01 volume 0.61398E-03 ppm1 7.048 ppm2 1.440 CV 1
OR { 383}
( segid "PAH2" and resid 28 and name HD% )
(( segid "PAH2" and resid 18 and name HD2 ))
ASSI { 384}
( segid "PAH2" and resid 28 and name HD% )
( segid "PAH2" and resid 14 and name HG1%)
3.000 1.100 1.100 peak 384 weight 0.10000E+01 volume 0.15049E-02 ppm1 7.048 ppm2 1.196 CV 1
OR { 384}
( segid "PAH2" and resid 28 and name HD% )
(( segid "PAH2" and resid 18 and name HB3 ))
ASSI { 387}
( segid "PAH2" and resid 28 and name HD% )
( segid "PAH2" and resid 17 and name HD1%)
3.400 1.500 1.500 peak 387 weight 0.10000E+01 volume 0.65187E-03 ppm1 7.048 ppm2 0.030 CV 1
OR { 387}
( segid "PAH2" and resid 28 and name HD% )
( segid "PAH2" and resid 27 and name HG2%)
ASSI { 389}
( segid "PAH2" and resid 28 and name HE% )
(( segid "PAH2" and resid 18 and name HA ))
3.600 1.600 1.600 peak 389 weight 0.10000E+01 volume 0.49379E-03 ppm1 6.753 ppm2 3.140 CV 1
OR { 389}
( segid "PAH2" and resid 28 and name HE% )
(( segid "PAH2" and resid 28 and name HB3 ))
OR { 389}
( segid "PAH2" and resid 28 and name HE% )
(( segid "PAH2" and resid 28 and name HB2 ))
ASSI { 392}
( segid "PAH2" and resid 28 and name HE% )
(( segid "PAH2" and resid 32 and name HG ))
2.800 2.800 3.200 peak 392 weight 0.10000E+01 volume 0.20261E-02 ppm1 6.751 ppm2 1.392 CV 1
OR { 392}
( segid "PAH2" and resid 28 and name HE% )
(( segid "PAH2" and resid 18 and name HD3 ))
OR { 392}
( segid "PAH2" and resid 28 and name HE% )
(( segid "PAH2" and resid 18 and name HD2 ))
ASSI { 404}
( segid "PAH2" and resid 38 and name HD% )
( segid "PAH2" and resid 53 and name HE% )
2.100 2.100 3.900 peak 404 weight 0.10000E+01 volume 0.11265E-01 ppm1 6.968 ppm2 2.087 CV 1
OR { 404}
( segid "PAH2" and resid 38 and name HD% )
(( segid "MAD1" and resid 202 and name HB ))
OR { 404}
( segid "PAH2" and resid 38 and name HD% )
(( segid "PAH2" and resid 39 and name HB3 ))
OR { 404}
( segid "PAH2" and resid 38 and name HD% )
(( segid "PAH2" and resid 53 and name HB2 ))
ASSI { 411}
( segid "PAH2" and resid 38 and name HE% )
(( segid "PAH2" and resid 55 and name HG3 ))
3.100 1.200 1.200 peak 411 weight 0.10000E+01 volume 0.12646E-02 ppm1 6.742 ppm2 2.399 CV 1
OR { 411}
( segid "PAH2" and resid 38 and name HE% )
(( segid "PAH2" and resid 55 and name HG2 ))
OR { 411}
( segid "PAH2" and resid 38 and name HE% )
(( segid "PAH2" and resid 39 and name HG3 ))
ASSI { 412}
( segid "PAH2" and resid 38 and name HE% )
(( segid "MAD1" and resid 202 and name HB ))
2.500 2.500 3.500 peak 412 weight 0.10000E+01 volume 0.44141E-02 ppm1 6.742 ppm2 2.112 CV 1
OR { 412}
( segid "PAH2" and resid 38 and name HE% )
(( segid "PAH2" and resid 42 and name HB2 ))
ASSI { 413}
( segid "PAH2" and resid 38 and name HE% )
(( segid "PAH2" and resid 53 and name HB3 ))
3.100 3.100 2.900 peak 413 weight 0.10000E+01 volume 0.12397E-02 ppm1 6.742 ppm2 1.980 CV 1
OR { 413}
( segid "PAH2" and resid 38 and name HE% )
(( segid "PAH2" and resid 55 and name HB2 ))
OR { 413}
( segid "PAH2" and resid 38 and name HE% )
(( segid "PAH2" and resid 53 and name HB2 ))
ASSI { 418}
( segid "PAH2" and resid 7 and name HD% )
(( segid "PAH2" and resid 11 and name HN ))
4.100 2.100 1.900 peak 418 weight 0.10000E+01 volume 0.22600E-03 ppm1 7.220 ppm2 8.262 CV 1
OR { 418}
( segid "PAH2" and resid 7 and name HD% )
(( segid "MAD1" and resid 204 and name HN ))
ASSI { 422}
( segid "PAH2" and resid 7 and name HD% )
(( segid "MAD1" and resid 204 and name HA ))
3.500 1.500 1.500 peak 422 weight 0.10000E+01 volume 0.56172E-03 ppm1 7.219 ppm2 4.352 CV 1
OR { 422}
( segid "PAH2" and resid 7 and name HD% )
(( segid "PAH2" and resid 8 and name HA ))
ASSI { 434}
( segid "PAH2" and resid 21 and name HD% )
(( segid "PAH2" and resid 18 and name HA ))
2.500 2.500 3.500 peak 434 weight 0.10000E+01 volume 0.42208E-02 ppm1 7.303 ppm2 3.070 CV 1
OR { 434}
( segid "PAH2" and resid 21 and name HD% )
(( segid "PAH2" and resid 20 and name HD2 ))
OR { 434}
( segid "PAH2" and resid 21 and name HD% )
(( segid "PAH2" and resid 20 and name HD3 ))
ASSI { 437}
( segid "PAH2" and resid 21 and name HD% )
( segid "PAH2" and resid 17 and name HG2%)
2.200 2.200 3.800 peak 437 weight 0.10000E+01 volume 0.89053E-02 ppm1 7.303 ppm2 0.800 CV 1
OR { 437}
( segid "PAH2" and resid 21 and name HD% )
( segid "PAH2" and resid 27 and name HD1%)
ASSI { 455}
( segid "PAH2" and resid 31 and name HD% )
( segid "PAH2" and resid 17 and name HG2%)
2.600 0.900 0.900 peak 455 weight 0.10000E+01 volume 0.30895E-02 ppm1 6.838 ppm2 0.788 CV 1
OR { 455}
( segid "PAH2" and resid 31 and name HD% )
( segid "PAH2" and resid 65 and name HD1%)
ASSI { 465}
( segid "PAH2" and resid 66 and name HE% )
( segid "PAH2" and resid 21 and name HE% )
2.600 2.600 3.400 peak 465 weight 0.10000E+01 volume 0.36486E-02 ppm1 6.682 ppm2 6.845 CV 1
OR { 465}
( segid "PAH2" and resid 66 and name HE% )
( segid "PAH2" and resid 13 and name HE% )
OR { 465}
( segid "PAH2" and resid 66 and name HE% )
( segid "PAH2" and resid 31 and name HD% )
ASSI { 467}
( segid "PAH2" and resid 66 and name HE% )
(( segid "PAH2" and resid 27 and name HB ))
5.400 3.600 0.600 peak 467 weight 0.10000E+01 volume 0.43109E-04 ppm1 6.682 ppm2 1.559 CV 1
OR { 467}
( segid "PAH2" and resid 66 and name HE% )
(( segid "PAH2" and resid 72 and name HG ))
OR { 467}
( segid "PAH2" and resid 66 and name HE% )
(( segid "PAH2" and resid 65 and name HG ))
OR { 467}
( segid "PAH2" and resid 66 and name HE% )
(( segid "PAH2" and resid 27 and name HG13))
ASSI { 468}
( segid "PAH2" and resid 66 and name HE% )
( segid "PAH2" and resid 17 and name HG2%)
2.700 0.900 0.900 peak 468 weight 0.10000E+01 volume 0.27381E-02 ppm1 6.682 ppm2 0.815 CV 1
OR { 468}
( segid "PAH2" and resid 66 and name HE% )
( segid "PAH2" and resid 65 and name HD1%)
OR { 468}
( segid "PAH2" and resid 66 and name HE% )
( segid "PAH2" and resid 65 and name HD2%)
ASSI { 469}
( segid "PAH2" and resid 66 and name HE% )
( segid "PAH2" and resid 27 and name HG2%)
3.000 1.100 1.100 peak 469 weight 0.10000E+01 volume 0.14422E-02 ppm1 6.682 ppm2 -0.004 CV 1
OR { 469}
( segid "PAH2" and resid 66 and name HE% )
( segid "PAH2" and resid 17 and name HD1%)
ASSI { 471}
( segid "PAH2" and resid 66 and name HD% )
( segid "PAH2" and resid 21 and name HE% )
3.000 1.100 1.100 peak 471 weight 0.10000E+01 volume 0.15924E-02 ppm1 6.603 ppm2 6.845 CV 1
OR { 471}
( segid "PAH2" and resid 66 and name HD% )
( segid "PAH2" and resid 13 and name HE% )
ASSI { 494}
( segid "PAH2" and resid 76 and name HE% )
(( segid "PAH2" and resid 76 and name HA ))
4.400 2.500 1.600 peak 494 weight 0.10000E+01 volume 0.13716E-03 ppm1 7.090 ppm2 4.379 CV 1
OR { 494}
( segid "PAH2" and resid 76 and name HE% )
(( segid "PAH2" and resid 73 and name HA ))
ASSI { 18}
(( segid "MAD1" and resid 206 and name HA ))
(( segid "MAD1" and resid 207 and name HN ))
2.500 0.800 0.800 peak 18 weight 0.10000E+01 volume 0.40395E-02 ppm1 3.969 ppm2 8.462 CV 1
OR { 18}
(( segid "MAD1" and resid 206 and name HA ))
(( segid "MAD1" and resid 209 and name HN ))
OR { 18}
(( segid "MAD1" and resid 203 and name HA ))
(( segid "MAD1" and resid 207 and name HN ))
ASSI { 32}
(( segid "MAD1" and resid 203 and name HB3 ))
(( segid "MAD1" and resid 203 and name HN ))
2.400 0.700 0.700 peak 32 weight 0.10000E+01 volume 0.57339E-02 ppm1 2.088 ppm2 8.415 CV 1
OR { 32}
(( segid "MAD1" and resid 203 and name HB2 ))
(( segid "MAD1" and resid 203 and name HN ))
OR { 32}
(( segid "MAD1" and resid 202 and name HB ))
(( segid "MAD1" and resid 203 and name HN ))
ASSI { 63}
(( segid "MAD1" and resid 206 and name HA ))
(( segid "MAD1" and resid 206 and name HN ))
2.500 0.800 0.800 peak 63 weight 0.10000E+01 volume 0.43518E-02 ppm1 3.969 ppm2 7.775 CV 1
OR { 63}
(( segid "MAD1" and resid 205 and name HA ))
(( segid "MAD1" and resid 206 and name HN ))
ASSI { 127}
(( segid "MAD1" and resid 207 and name HN ))
(( segid "MAD1" and resid 208 and name HN ))
2.400 0.700 0.700 peak 127 weight 0.10000E+01 volume 0.48765E-02 ppm1 8.460 ppm2 8.839 CV 1
OR { 127}
(( segid "MAD1" and resid 209 and name HN ))
(( segid "MAD1" and resid 208 and name HN ))
ASSI { 3353}
(( segid "MAD1" and resid 201 and name HA ))
(( segid "MAD1" and resid 203 and name HB3 ))
4.200 2.200 1.800 peak 3353 weight 0.10000E+01 volume 0.18358E-03 ppm1 5.288 ppm2 2.094 CV 1
OR { 3353}
(( segid "MAD1" and resid 201 and name HA ))
(( segid "MAD1" and resid 202 and name HB ))
ASSI { 4159}
(( segid "MAD1" and resid 203 and name HA ))
(( segid "MAD1" and resid 207 and name HB2 ))
2.600 2.600 3.400 peak 4159 weight 0.10000E+01 volume 0.30794E-02 ppm1 3.963 ppm2 2.417 CV 1
OR { 4159}
(( segid "MAD1" and resid 205 and name HA ))
(( segid "MAD1" and resid 207 and name HB3 ))
OR { 4159}
(( segid "MAD1" and resid 203 and name HA ))
(( segid "MAD1" and resid 207 and name HB3 ))
OR { 4159}
(( segid "MAD1" and resid 206 and name HA ))
(( segid "MAD1" and resid 207 and name HB3 ))
Contact the webmaster for help, if required. Friday, May 3, 2024 3:29:59 PM GMT (wattos1)