NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
511657 |
2ld7   |
17653 | cing | 1-original | 2 | XPLOR/CNS | distance | NOE | ambi |
ASSI { 2}
( segid "PAH3" and resid 480 and name HB% )
(( segid "SAP" and resid 145 and name HB ))
3.900 1.900 1.900 peak 2 spectrum 1 weight 0.10000E+01 volume 0.24250E-03 ppm1 4.092 ppm2 1.653 CV 1
OR { 2}
(( segid "PAH3" and resid 476 and name HG2 ))
(( segid "SAP" and resid 145 and name HB ))
ASSI { 9}
( segid "PAH3" and resid 508 and name HD% )
( segid "SAP" and resid 145 and name HG2%)
3.000 3.000 3.000 peak 9 spectrum 1 weight 0.10000E+01 volume 0.94725E-03 ppm1 1.234 ppm2 7.224 CV 1
OR { 9}
(( segid "PAH3" and resid 483 and name HD22))
( segid "SAP" and resid 145 and name HG2%)
ASSI { 28}
(( segid "PAH3" and resid 508 and name HZ ))
(( segid "SAP" and resid 148 and name HA ))
4.500 2.500 1.500 peak 28 spectrum 1 weight 0.10000E+01 volume 0.52287E-03 ppm1 3.917 ppm2 7.161 CV 1
OR { 28}
(( segid "PAH3" and resid 483 and name HD22))
(( segid "SAP" and resid 148 and name HA ))
ASSI { 29}
( segid "PAH3" and resid 504 and name HD1%)
(( segid "SAP" and resid 148 and name HB ))
3.800 1.800 1.800 peak 29 spectrum 1 weight 0.10000E+01 volume 0.39784E-03 ppm1 1.833 ppm2 0.824 CV 1
OR { 29}
( segid "PAH3" and resid 496 and name HG2%)
(( segid "SAP" and resid 148 and name HB ))
OR { 29}
(( segid "PAH3" and resid 496 and name HG12))
(( segid "SAP" and resid 148 and name HB ))
ASSI { 31}
(( segid "PAH3" and resid 507 and name HD2 ))
( segid "SAP" and resid 148 and name HG1%)
4.300 2.300 1.700 peak 31 spectrum 1 weight 0.10000E+01 volume 0.10344E-02 ppm1 0.981 ppm2 3.641 CV 1
OR { 31}
(( segid "PAH3" and resid 484 and name HA ))
( segid "SAP" and resid 148 and name HG1%)
ASSI { 32}
(( segid "PAH3" and resid 483 and name HA ))
( segid "SAP" and resid 148 and name HG1%)
4.000 2.000 2.000 peak 32 spectrum 1 weight 0.10000E+01 volume 0.15687E-02 ppm1 0.978 ppm2 4.488 CV 1
OR { 32}
(( segid "PAH3" and resid 480 and name HA ))
( segid "SAP" and resid 148 and name HG1%)
ASSI { 33}
(( segid "PAH3" and resid 487 and name HG ))
( segid "SAP" and resid 148 and name HG1%)
3.300 1.300 1.300 peak 33 spectrum 1 weight 0.10000E+01 volume 0.43952E-02 ppm1 0.978 ppm2 3.103 CV 1
OR { 33}
(( segid "PAH3" and resid 483 and name HB1 ))
( segid "SAP" and resid 148 and name HG1%)
ASSI { 35}
(( segid "PAH3" and resid 504 and name HA ))
( segid "SAP" and resid 148 and name HG1%)
4.700 2.800 1.300 peak 35 spectrum 1 weight 0.10000E+01 volume 0.65549E-03 ppm1 0.978 ppm2 4.250 CV 1
OR { 35}
(( segid "PAH3" and resid 506 and name HB1 ))
( segid "SAP" and resid 148 and name HG1%)
OR { 35}
(( segid "PAH3" and resid 507 and name HA ))
( segid "SAP" and resid 148 and name HG1%)
ASSI { 41}
(( segid "PAH3" and resid 487 and name HG ))
( segid "SAP" and resid 148 and name HG2%)
3.600 1.600 1.600 peak 41 spectrum 1 weight 0.10000E+01 volume 0.15421E-02 ppm1 0.678 ppm2 3.111 CV 1
OR { 41}
(( segid "PAH3" and resid 483 and name HB1 ))
( segid "SAP" and resid 148 and name HG2%)
ASSI { 44}
(( segid "PAH3" and resid 504 and name HB1 ))
( segid "SAP" and resid 148 and name HG2%)
2.700 0.900 0.900 peak 44 spectrum 1 weight 0.10000E+01 volume 0.52666E-02 ppm1 0.677 ppm2 1.980 CV 1
OR { 44}
(( segid "PAH3" and resid 507 and name HG2 ))
( segid "SAP" and resid 148 and name HG2%)
OR { 44}
(( segid "PAH3" and resid 504 and name HG ))
( segid "SAP" and resid 148 and name HG2%)
ASSI { 56}
( segid "PAH3" and resid 504 and name HD1%)
(( segid "SAP" and resid 152 and name HG1 ))
4.300 2.300 1.700 peak 56 spectrum 1 weight 0.10000E+01 volume 0.48119E-03 ppm1 2.322 ppm2 0.837 CV 1
OR { 56}
( segid "PAH3" and resid 496 and name HG2%)
(( segid "SAP" and resid 152 and name HG1 ))
ASSI { 59}
(( segid "PAH3" and resid 500 and name HA ))
( segid "SAP" and resid 153 and name HD1%)
4.400 2.400 1.600 peak 59 spectrum 1 weight 0.10000E+01 volume 0.15194E-02 ppm1 0.892 ppm2 4.002 CV 1
OR { 59}
(( segid "PAH3" and resid 501 and name HA ))
( segid "SAP" and resid 153 and name HD1%)
ASSI { 63}
( segid "PAH3" and resid 495 and name HG1%)
( segid "SAP" and resid 157 and name HG2%)
3.200 1.300 1.300 peak 63 spectrum 1 weight 0.10000E+01 volume 0.43952E-02 ppm1 1.451 ppm2 0.947 CV 1
OR { 63}
( segid "PAH3" and resid 496 and name HD1%)
( segid "SAP" and resid 157 and name HG2%)
ASSI { 79}
(( segid "PAH3" and resid 489 and name HB ))
( segid "SAP" and resid 189 and name HD1%)
4.800 2.900 1.200 peak 79 spectrum 1 weight 0.10000E+01 volume 0.37283E-03 ppm1 0.695 ppm2 2.435 CV 1
OR { 79}
(( segid "PAH3" and resid 482 and name HG1 ))
( segid "SAP" and resid 189 and name HD1%)
ASSI { 80}
( segid "PAH3" and resid 490 and name HD1%)
( segid "SAP" and resid 189 and name HD1%)
3.000 1.100 1.100 peak 80 spectrum 1 weight 0.10000E+01 volume 0.21370E-02 ppm1 0.691 ppm2 1.090 CV 1
OR { 80}
( segid "PAH3" and resid 489 and name HG1%)
( segid "SAP" and resid 189 and name HD1%)
ASSI { 82}
(( segid "PAH3" and resid 490 and name HA ))
( segid "SAP" and resid 189 and name HD1%)
4.400 2.400 1.600 peak 82 spectrum 1 weight 0.10000E+01 volume 0.55318E-03 ppm1 0.688 ppm2 4.095 CV 1
OR { 82}
(( segid "PAH3" and resid 487 and name HA ))
( segid "SAP" and resid 189 and name HD1%)
ASSI { 91}
(( segid "PAH3" and resid 482 and name HG1 ))
(( segid "SAP" and resid 191 and name HB ))
4.500 2.600 1.500 peak 91 spectrum 1 weight 0.10000E+01 volume 0.61381E-03 ppm1 1.795 ppm2 2.454 CV 1
OR { 91}
(( segid "PAH3" and resid 489 and name HB ))
(( segid "SAP" and resid 191 and name HB ))
ASSI { 96}
(( segid "PAH3" and resid 485 and name HB1 ))
( segid "SAP" and resid 191 and name HG1%)
3.200 1.300 1.300 peak 96 spectrum 1 weight 0.10000E+01 volume 0.38269E-02 ppm1 0.743 ppm2 1.938 CV 1
OR { 96}
(( segid "PAH3" and resid 482 and name HB2 ))
( segid "SAP" and resid 191 and name HG1%)
ASSI { 103}
( segid "PAH3" and resid 481 and name HD% )
( segid "SAP" and resid 191 and name HG2%)
4.400 2.400 1.600 peak 103 spectrum 1 weight 0.10000E+01 volume 0.76161E-03 ppm1 0.673 ppm2 6.927 CV 1
OR { 103}
(( segid "PAH3" and resid 488 and name HN ))
( segid "SAP" and resid 191 and name HG2%)
ASSI { 106}
(( segid "PAH3" and resid 482 and name HG1 ))
( segid "SAP" and resid 191 and name HG2%)
3.700 1.700 1.700 peak 106 spectrum 1 weight 0.10000E+01 volume 0.20498E-02 ppm1 0.671 ppm2 2.456 CV 1
OR { 106}
(( segid "PAH3" and resid 489 and name HB ))
( segid "SAP" and resid 191 and name HG2%)
ASSI { 108}
(( segid "PAH3" and resid 486 and name HA ))
( segid "SAP" and resid 191 and name HG2%)
3.100 1.200 1.200 peak 108 spectrum 1 weight 0.10000E+01 volume 0.20726E-02 ppm1 0.674 ppm2 3.470 CV 1
OR { 108}
(( segid "PAH3" and resid 485 and name HA ))
( segid "SAP" and resid 191 and name HG2%)
ASSI { 135}
( segid "PAH3" and resid 488 and name HD1%)
( segid "SAP" and resid 197 and name HD1%)
3.600 1.600 1.600 peak 135 spectrum 1 weight 0.10000E+01 volume 0.76535E-03 ppm1 0.604 ppm2 0.215 CV 1
OR { 135}
( segid "PAH3" and resid 471 and name HG1%)
( segid "SAP" and resid 197 and name HD1%)
ASSI { 142}
( segid "PAH3" and resid 488 and name HD2%)
( segid "SAP" and resid 197 and name HD2%)
3.200 1.300 1.300 peak 142 spectrum 1 weight 0.10000E+01 volume 0.13261E-02 ppm1 -0.044 ppm2 0.017 CV 1
OR { 142}
( segid "PAH3" and resid 471 and name HG2%)
( segid "SAP" and resid 197 and name HD2%)
ASSI { 169}
(( segid "PAH3" and resid 491 and name HZ ))
( segid "SAP" and resid 204 and name HG1%)
3.100 1.200 1.200 peak 169 spectrum 1 weight 0.10000E+01 volume 0.54182E-02 ppm1 0.320 ppm2 7.261 CV 1
OR { 169}
(( segid "PAH3" and resid 522 and name HZ ))
( segid "SAP" and resid 204 and name HG1%)
ASSI { 172}
( segid "PAH3" and resid 522 and name HE% )
( segid "SAP" and resid 204 and name HG2%)
2.700 0.900 0.900 peak 172 spectrum 1 weight 0.10000E+01 volume 0.44331E-02 ppm1 -0.012 ppm2 7.105 CV 1
OR { 172}
( segid "PAH3" and resid 491 and name HE% )
( segid "SAP" and resid 204 and name HG2%)
ASSI { 173}
(( segid "PAH3" and resid 522 and name HZ ))
( segid "SAP" and resid 204 and name HG2%)
3.200 1.300 1.300 peak 173 spectrum 1 weight 0.10000E+01 volume 0.34669E-02 ppm1 -0.010 ppm2 7.244 CV 1
OR { 173}
(( segid "PAH3" and resid 491 and name HZ ))
( segid "SAP" and resid 204 and name HG2%)
ASSI { 180}
(( segid "PAH3" and resid 508 and name HZ ))
(( segid "SAP" and resid 148 and name HB ))
2.700 0.900 0.900 peak 180 spectrum 1 weight 0.10000E+01 volume 0.20422E-02 ppm1 1.831 ppm2 7.152 CV 1
OR { 180}
(( segid "PAH3" and resid 483 and name HD22))
(( segid "SAP" and resid 148 and name HB ))
ASSI { 188}
(( segid "PAH3" and resid 508 and name HZ ))
(( segid "SAP" and resid 147 and name HB2 ))
3.600 1.700 1.700 peak 188 spectrum 1 weight 0.10000E+01 volume 0.85630E-03 ppm1 1.753 ppm2 7.156 CV 1
OR { 188}
( segid "PAH3" and resid 491 and name HE% )
(( segid "SAP" and resid 208 and name HB2 ))
ASSI { 197}
(( segid "PAH3" and resid 507 and name HA ))
(( segid "SAP" and resid 146 and name HB1 ))
4.000 2.000 2.000 peak 197 spectrum 1 weight 0.10000E+01 volume 0.15004E-02 ppm1 1.759 ppm2 4.257 CV 1
OR { 197}
(( segid "PAH3" and resid 477 and name HB1 ))
(( segid "SAP" and resid 146 and name HB1 ))
ASSI { 199}
(( segid "PAH3" and resid 507 and name HA ))
(( segid "SAP" and resid 146 and name HB2 ))
4.500 2.500 1.500 peak 199 spectrum 1 weight 0.10000E+01 volume 0.93208E-03 ppm1 1.059 ppm2 4.252 CV 1
OR { 199}
(( segid "PAH3" and resid 477 and name HB1 ))
(( segid "SAP" and resid 146 and name HB2 ))
ASSI { 239}
(( segid "PAH3" and resid 475 and name HB2 ))
(( segid "SAP" and resid 146 and name HG2 ))
4.500 2.600 1.500 peak 239 spectrum 1 weight 0.10000E+01 volume 0.52287E-03 ppm1 1.877 ppm2 1.495 CV 1
OR { 239}
(( segid "PAH3" and resid 511 and name HD1 ))
(( segid "SAP" and resid 146 and name HG1 ))
OR { 239}
(( segid "PAH3" and resid 475 and name HB2 ))
(( segid "SAP" and resid 146 and name HG1 ))
ASSI { 253}
(( segid "PAH3" and resid 472 and name HB2 ))
( segid "SAP" and resid 197 and name HD1%)
4.300 2.300 1.700 peak 253 spectrum 1 weight 0.10000E+01 volume 0.77297E-03 ppm1 0.601 ppm2 0.981 CV 1
OR { 253}
(( segid "PAH3" and resid 485 and name HB2 ))
( segid "SAP" and resid 197 and name HD1%)
ASSI { 256}
(( segid "PAH3" and resid 465 and name HA ))
( segid "SAP" and resid 197 and name HD1%)
4.000 2.000 2.000 peak 256 spectrum 1 weight 0.10000E+01 volume 0.70096E-03 ppm1 0.605 ppm2 4.307 CV 1
OR { 256}
(( segid "PAH3" and resid 469 and name HA ))
( segid "SAP" and resid 197 and name HD1%)
ASSI { 258}
(( segid "PAH3" and resid 496 and name HB ))
( segid "SAP" and resid 153 and name HD2%)
4.800 2.800 1.200 peak 258 spectrum 1 weight 0.10000E+01 volume 0.33797E-03 ppm1 0.754 ppm2 2.280 CV 1
OR { 258}
(( segid "PAH3" and resid 500 and name HG2 ))
( segid "SAP" and resid 153 and name HD2%)
ASSI { 265}
(( segid "PAH3" and resid 500 and name HB2 ))
( segid "SAP" and resid 157 and name HG2%)
4.300 2.300 1.700 peak 265 spectrum 1 weight 0.10000E+01 volume 0.74642E-03 ppm1 1.444 ppm2 1.746 CV 1
OR { 265}
(( segid "PAH3" and resid 496 and name HG11))
( segid "SAP" and resid 157 and name HG2%)
ASSI { 267}
(( segid "PAH3" and resid 496 and name HB ))
( segid "SAP" and resid 157 and name HG2%)
3.900 1.900 1.900 peak 267 spectrum 1 weight 0.10000E+01 volume 0.68201E-03 ppm1 1.450 ppm2 2.277 CV 1
OR { 267}
(( segid "PAH3" and resid 500 and name HG2 ))
( segid "SAP" and resid 157 and name HG2%)
ASSI { 268}
(( segid "PAH3" and resid 500 and name HA ))
( segid "SAP" and resid 157 and name HG2%)
5.100 3.300 0.900 peak 268 spectrum 1 weight 0.10000E+01 volume 0.34101E-03 ppm1 1.454 ppm2 4.022 CV 1
OR { 268}
(( segid "PAH3" and resid 497 and name HB2 ))
( segid "SAP" and resid 157 and name HG2%)
ASSI { 296}
(( segid "PAH3" and resid 488 and name HN ))
( segid "SAP" and resid 196 and name HG2%)
4.600 2.600 1.400 peak 296 spectrum 1 weight 0.10000E+01 volume 0.89037E-03 ppm1 1.047 ppm2 6.938 CV 1
OR { 296}
( segid "PAH3" and resid 484 and name HE% )
( segid "SAP" and resid 196 and name HG2%)
ASSI { 297}
(( segid "PAH3" and resid 491 and name HN ))
( segid "SAP" and resid 196 and name HG2%)
4.000 2.000 2.000 peak 297 spectrum 1 weight 0.10000E+01 volume 0.10457E-02 ppm1 1.046 ppm2 7.804 CV 1
OR { 297}
(( segid "PAH3" and resid 484 and name HN ))
( segid "SAP" and resid 196 and name HG2%)
ASSI { 301}
( segid "PAH3" and resid 491 and name HD% )
( segid "SAP" and resid 204 and name HG1%)
4.200 2.200 1.800 peak 301 spectrum 1 weight 0.10000E+01 volume 0.10533E-02 ppm1 0.324 ppm2 7.461 CV 1
OR { 301}
( segid "PAH3" and resid 468 and name HE% )
( segid "SAP" and resid 204 and name HG1%)
ASSI { 306}
( segid "PAH3" and resid 488 and name HD1%)
( segid "SAP" and resid 191 and name HG2%)
3.200 1.300 1.300 peak 306 spectrum 1 weight 0.10000E+01 volume 0.83358E-03 ppm1 0.677 ppm2 0.216 CV 1
OR { 306}
( segid "PAH3" and resid 471 and name HG1%)
( segid "SAP" and resid 191 and name HG2%)
ASSI { 308}
(( segid "PAH3" and resid 486 and name HN ))
( segid "SAP" and resid 191 and name HG2%)
3.400 1.400 1.400 peak 308 spectrum 1 weight 0.10000E+01 volume 0.23605E-02 ppm1 0.676 ppm2 8.165 CV 1
OR { 308}
(( segid "PAH3" and resid 485 and name HN ))
( segid "SAP" and resid 191 and name HG2%)
ASSI { 337}
(( segid "PAH3" and resid 500 and name HN ))
( segid "SAP" and resid 153 and name HD1%)
5.100 3.300 0.900 peak 337 spectrum 1 weight 0.10000E+01 volume 0.51529E-03 ppm1 0.892 ppm2 7.822 CV 1
OR { 337}
(( segid "PAH3" and resid 483 and name HD21))
( segid "SAP" and resid 153 and name HD1%)
OR { 337}
(( segid "PAH3" and resid 491 and name HN ))
( segid "SAP" and resid 153 and name HD1%)
OR { 337}
(( segid "PAH3" and resid 502 and name HN ))
( segid "SAP" and resid 153 and name HD1%)
ASSI { 339}
(( segid "PAH3" and resid 496 and name HB ))
( segid "SAP" and resid 153 and name HD1%)
3.600 1.600 1.600 peak 339 spectrum 1 weight 0.10000E+01 volume 0.22961E-02 ppm1 0.896 ppm2 2.279 CV 1
OR { 339}
(( segid "PAH3" and resid 500 and name HG2 ))
( segid "SAP" and resid 153 and name HD1%)
ASSI { 341}
(( segid "PAH3" and resid 500 and name HB2 ))
( segid "SAP" and resid 153 and name HD1%)
4.500 2.600 1.500 peak 341 spectrum 1 weight 0.10000E+01 volume 0.15080E-02 ppm1 0.888 ppm2 1.727 CV 1
OR { 341}
(( segid "PAH3" and resid 504 and name HB2 ))
( segid "SAP" and resid 153 and name HD1%)
ASSI { 342}
( segid "PAH3" and resid 504 and name HD1%)
( segid "SAP" and resid 153 and name HD1%)
2.500 0.800 0.800 peak 342 spectrum 1 weight 0.10000E+01 volume 0.55318E-02 ppm1 0.897 ppm2 0.831 CV 1
OR { 342}
( segid "PAH3" and resid 496 and name HG2%)
( segid "SAP" and resid 153 and name HD1%)
ASSI { 345}
(( segid "PAH3" and resid 487 and name HB2 ))
( segid "SAP" and resid 148 and name HG1%)
4.800 2.900 1.200 peak 345 spectrum 1 weight 0.10000E+01 volume 0.64412E-03 ppm1 0.976 ppm2 2.218 CV 1
OR { 345}
(( segid "PAH3" and resid 507 and name HB1 ))
( segid "SAP" and resid 148 and name HG1%)
OR { 345}
(( segid "PAH3" and resid 484 and name HB2 ))
( segid "SAP" and resid 148 and name HG1%)
ASSI { 346}
(( segid "PAH3" and resid 504 and name HB1 ))
( segid "SAP" and resid 148 and name HG1%)
3.900 1.900 1.900 peak 346 spectrum 1 weight 0.10000E+01 volume 0.14853E-02 ppm1 0.978 ppm2 1.968 CV 1
OR { 346}
(( segid "PAH3" and resid 507 and name HG2 ))
( segid "SAP" and resid 148 and name HG1%)
OR { 346}
(( segid "PAH3" and resid 507 and name HG1 ))
( segid "SAP" and resid 148 and name HG1%)
ASSI { 354}
(( segid "PAH3" and resid 483 and name HN ))
( segid "SAP" and resid 191 and name HG1%)
4.600 2.700 1.400 peak 354 spectrum 1 weight 0.10000E+01 volume 0.39405E-03 ppm1 0.743 ppm2 7.832 CV 1
OR { 354}
(( segid "PAH3" and resid 484 and name HN ))
( segid "SAP" and resid 191 and name HG1%)
ASSI { 356}
( segid "PAH3" and resid 481 and name HD% )
( segid "SAP" and resid 191 and name HG1%)
4.100 2.100 1.900 peak 356 spectrum 1 weight 0.10000E+01 volume 0.78814E-03 ppm1 0.747 ppm2 6.916 CV 1
OR { 356}
( segid "PAH3" and resid 484 and name HE% )
( segid "SAP" and resid 191 and name HG1%)
ASSI { 357}
(( segid "PAH3" and resid 481 and name HA ))
( segid "SAP" and resid 191 and name HG1%)
4.800 2.800 1.200 peak 357 spectrum 1 weight 0.10000E+01 volume 0.60244E-03 ppm1 0.748 ppm2 4.091 CV 1
OR { 357}
(( segid "PAH3" and resid 479 and name HA ))
( segid "SAP" and resid 191 and name HG1%)
ASSI { 360}
( segid "PAH3" and resid 488 and name HD1%)
( segid "SAP" and resid 191 and name HG1%)
3.900 1.900 1.900 peak 360 spectrum 1 weight 0.10000E+01 volume 0.37890E-03 ppm1 0.741 ppm2 0.217 CV 1
OR { 360}
( segid "PAH3" and resid 471 and name HG1%)
( segid "SAP" and resid 191 and name HG1%)
ASSI { 371}
(( segid "PAH3" and resid 462 and name HA1 ))
( segid "SAP" and resid 201 and name HG2%)
4.700 2.700 1.300 peak 371 spectrum 1 weight 0.10000E+01 volume 0.35124E-03 ppm1 1.026 ppm2 4.273 CV 1
OR { 371}
(( segid "PAH3" and resid 461 and name HA ))
( segid "SAP" and resid 201 and name HG2%)
OR { 371}
(( segid "PAH3" and resid 463 and name HA ))
( segid "SAP" and resid 201 and name HG2%)
ASSI { 386}
( segid "PAH3" and resid 508 and name HD% )
(( segid "SAP" and resid 148 and name HA ))
4.800 2.900 1.200 peak 386 spectrum 1 weight 0.10000E+01 volume 0.41679E-03 ppm1 3.917 ppm2 7.206 CV 1
OR { 386}
(( segid "PAH3" and resid 483 and name HD22))
(( segid "SAP" and resid 148 and name HA ))
ASSI { 403}
( segid "PAH3" and resid 512 and name HD% )
( segid "SAP" and resid 143 and name HD1%)
4.900 3.000 1.100 peak 403 spectrum 1 weight 0.10000E+01 volume 0.28341E-03 ppm1 0.860 ppm2 7.204 CV 1
OR { 403}
( segid "PAH3" and resid 508 and name HD% )
( segid "SAP" and resid 143 and name HD1%)
ASSI { 407}
( segid "PAH3" and resid 488 and name HD1%)
(( segid "SAP" and resid 193 and name HA ))
5.000 3.200 1.000 peak 407 spectrum 1 weight 0.10000E+01 volume 0.14474E-03 ppm1 3.532 ppm2 0.231 CV 1
OR { 407}
( segid "PAH3" and resid 471 and name HG1%)
(( segid "SAP" and resid 193 and name HA ))
ASSI { 413}
( segid "PAH3" and resid 495 and name HG1%)
(( segid "SAP" and resid 162 and name HA ))
3.700 1.700 1.700 peak 413 spectrum 1 weight 0.10000E+01 volume 0.28189E-03 ppm1 3.958 ppm2 0.908 CV 1
OR { 413}
( segid "PAH3" and resid 495 and name HG1%)
(( segid "SAP" and resid 164 and name HA ))
ASSI { 417}
( segid "PAH3" and resid 488 and name HD2%)
(( segid "SAP" and resid 197 and name HA ))
4.300 2.400 1.700 peak 417 spectrum 1 weight 0.10000E+01 volume 0.13489E-03 ppm1 3.845 ppm2 0.015 CV 1
OR { 417}
( segid "PAH3" and resid 471 and name HG2%)
(( segid "SAP" and resid 197 and name HA ))
ASSI { 430}
( segid "PAH3" and resid 484 and name HE% )
( segid "SAP" and resid 197 and name HD1%)
5.300 3.500 0.700 peak 430 spectrum 1 weight 0.10000E+01 volume 0.31827E-03 ppm1 0.601 ppm2 6.932 CV 1
OR { 430}
( segid "PAH3" and resid 481 and name HD% )
( segid "SAP" and resid 197 and name HD1%)
ASSI { 436}
(( segid "PAH3" and resid 477 and name HB2 ))
( segid "SAP" and resid 143 and name HG2%)
4.200 2.200 1.800 peak 436 spectrum 1 weight 0.10000E+01 volume 0.15876E-03 ppm1 0.905 ppm2 3.785 CV 1
OR { 436}
(( segid "PAH3" and resid 510 and name HA1 ))
( segid "SAP" and resid 143 and name HG2%)
ASSI { 443}
(( segid "PAH3" and resid 503 and name HG2 ))
(( segid "SAP" and resid 152 and name HB1 ))
3.700 1.700 1.700 peak 443 spectrum 1 weight 0.10000E+01 volume 0.90555E-03 ppm1 2.139 ppm2 2.444 CV 1
OR { 443}
(( segid "PAH3" and resid 500 and name HG1 ))
(( segid "SAP" and resid 154 and name HB2 ))
ASSI { 448}
( segid "PAH3" and resid 512 and name HE% )
( segid "SAP" and resid 143 and name HG2%)
3.900 1.900 1.900 peak 448 spectrum 1 weight 0.10000E+01 volume 0.45847E-03 ppm1 0.906 ppm2 7.278 CV 1
OR { 448}
(( segid "PAH3" and resid 508 and name HN ))
( segid "SAP" and resid 143 and name HG2%)
ASSI { 450}
(( segid "PAH3" and resid 483 and name HN ))
( segid "SAP" and resid 191 and name HG2%)
4.600 2.700 1.400 peak 450 spectrum 1 weight 0.10000E+01 volume 0.43952E-03 ppm1 0.679 ppm2 7.829 CV 1
OR { 450}
(( segid "PAH3" and resid 484 and name HN ))
( segid "SAP" and resid 191 and name HG2%)
OR { 450}
(( segid "PAH3" and resid 481 and name HN ))
( segid "SAP" and resid 191 and name HG2%)
ASSI { 452}
(( segid "PAH3" and resid 483 and name HA ))
( segid "SAP" and resid 148 and name HG2%)
5.500 3.800 0.500 peak 452 spectrum 1 weight 0.10000E+01 volume 0.61381E-03 ppm1 0.680 ppm2 4.490 CV 1
OR { 452}
(( segid "PAH3" and resid 480 and name HA ))
( segid "SAP" and resid 148 and name HG2%)
ASSI { 454}
(( segid "PAH3" and resid 479 and name HA ))
( segid "SAP" and resid 191 and name HG2%)
4.600 2.700 1.400 peak 454 spectrum 1 weight 0.10000E+01 volume 0.48877E-03 ppm1 0.676 ppm2 4.099 CV 1
OR { 454}
(( segid "PAH3" and resid 481 and name HA ))
( segid "SAP" and resid 191 and name HG2%)
OR { 454}
(( segid "PAH3" and resid 487 and name HA ))
( segid "SAP" and resid 191 and name HG2%)
ASSI { 457}
(( segid "PAH3" and resid 488 and name HB2 ))
(( segid "SAP" and resid 199 and name HB1 ))
5.000 3.100 1.000 peak 457 spectrum 1 weight 0.10000E+01 volume 0.38269E-03 ppm1 3.159 ppm2 1.034 CV 1
OR { 457}
( segid "PAH3" and resid 489 and name HG2%)
(( segid "SAP" and resid 199 and name HB1 ))
ASSI { 458}
(( segid "PAH3" and resid 487 and name HA ))
( segid "SAP" and resid 148 and name HG2%)
4.400 2.400 1.600 peak 458 spectrum 1 weight 0.10000E+01 volume 0.73127E-03 ppm1 0.679 ppm2 4.097 CV 1
OR { 458}
(( segid "PAH3" and resid 503 and name HA ))
( segid "SAP" and resid 148 and name HG2%)
ASSI { 459}
(( segid "PAH3" and resid 488 and name HB1 ))
( segid "SAP" and resid 197 and name HD2%)
4.400 2.400 1.600 peak 459 spectrum 1 weight 0.10000E+01 volume 0.78433E-03 ppm1 -0.029 ppm2 1.790 CV 1
OR { 459}
(( segid "PAH3" and resid 471 and name HB ))
( segid "SAP" and resid 197 and name HD2%)
OR { 459}
(( segid "PAH3" and resid 498 and name HB2 ))
( segid "SAP" and resid 204 and name HG2%)
ASSI { 473}
(( segid "PAH3" and resid 494 and name HA ))
(( segid "SAP" and resid 209 and name HB2 ))
4.400 2.500 1.600 peak 473 spectrum 1 weight 0.10000E+01 volume 0.13829E-03 ppm1 2.679 ppm2 3.920 CV 1
OR { 473}
(( segid "PAH3" and resid 494 and name HA ))
(( segid "SAP" and resid 161 and name HB2 ))
ASSI { 476}
(( segid "PAH3" and resid 488 and name HB1 ))
( segid "SAP" and resid 191 and name HG1%)
2.800 2.800 3.200 peak 476 spectrum 1 weight 0.10000E+01 volume 0.19134E-02 ppm1 0.746 ppm2 1.822 CV 1
OR { 476}
(( segid "PAH3" and resid 475 and name HG ))
( segid "SAP" and resid 191 and name HG1%)
ASSI { 283}
(( segid "PAH3" and resid 508 and name HZ ))
(( segid "SAP" and resid 148 and name HN ))
3.400 1.500 1.500 peak 283 spectrum 1 weight 0.10000E+01 volume 0.13906E-02 ppm1 8.602 ppm2 7.160 CV 1
OR { 283}
(( segid "PAH3" and resid 483 and name HD22))
(( segid "SAP" and resid 148 and name HN ))
ASSI { 286}
( segid "PAH3" and resid 522 and name HE% )
(( segid "SAP" and resid 204 and name HN ))
4.000 2.000 2.000 peak 286 spectrum 1 weight 0.10000E+01 volume 0.11556E-02 ppm1 7.836 ppm2 7.106 CV 1
OR { 286}
( segid "PAH3" and resid 491 and name HE% )
(( segid "SAP" and resid 204 and name HN ))
ASSI { 313}
(( segid "PAH3" and resid 507 and name HG1 ))
(( segid "SAP" and resid 152 and name HE22))
5.000 3.100 1.000 peak 313 spectrum 1 weight 0.10000E+01 volume 0.24477E-03 ppm1 6.644 ppm2 1.971 CV 1
OR { 313}
(( segid "PAH3" and resid 504 and name HG ))
(( segid "SAP" and resid 152 and name HE22))
OR { 313}
(( segid "PAH3" and resid 504 and name HB1 ))
(( segid "SAP" and resid 152 and name HE22))
ASSI { 315}
(( segid "PAH3" and resid 503 and name HB2 ))
(( segid "SAP" and resid 152 and name HE22))
4.700 2.700 1.300 peak 315 spectrum 1 weight 0.10000E+01 volume 0.34859E-03 ppm1 6.642 ppm2 2.229 CV 1
OR { 315}
(( segid "PAH3" and resid 507 and name HB1 ))
(( segid "SAP" and resid 152 and name HE22))
ASSI { 317}
( segid "PAH3" and resid 495 and name HG1%)
(( segid "SAP" and resid 165 and name HN ))
3.400 1.500 1.500 peak 317 spectrum 1 weight 0.10000E+01 volume 0.62139E-03 ppm1 7.795 ppm2 0.930 CV 1
OR { 317}
( segid "PAH3" and resid 501 and name HD1%)
(( segid "SAP" and resid 152 and name HE21))
ASSI { 469}
( segid "PAH3" and resid 495 and name HG1%)
(( segid "SAP" and resid 162 and name HN ))
3.000 3.000 3.000 peak 469 spectrum 1 weight 0.10000E+01 volume 0.94725E-03 ppm1 8.221 ppm2 0.924 CV 1
OR { 469}
( segid "PAH3" and resid 495 and name HG1%)
(( segid "SAP" and resid 163 and name HN ))
ASSI { 477}
( segid "PAH3" and resid 495 and name HG2%)
(( segid "SAP" and resid 162 and name HN ))
4.000 2.000 2.000 peak 477 spectrum 1 weight 0.10000E+01 volume 0.17732E-03 ppm1 8.215 ppm2 0.282 CV 1
OR { 477}
( segid "PAH3" and resid 495 and name HG2%)
(( segid "SAP" and resid 163 and name HN ))
ASSI { 38}
(( segid "SAP" and resid 210 and name HG2 ))
(( segid "SAP" and resid 210 and name HA ))
2.600 0.900 0.900 peak 38 spectrum 1 weight 0.10000E+01 volume 0.49210E-02 ppm1 4.271 ppm2 1.381 CV 1
OR { 38}
(( segid "SAP" and resid 214 and name HG2 ))
(( segid "SAP" and resid 214 and name HA ))
OR { 38}
(( segid "SAP" and resid 210 and name HG1 ))
(( segid "SAP" and resid 210 and name HA ))
OR { 38}
(( segid "SAP" and resid 214 and name HG1 ))
(( segid "SAP" and resid 214 and name HA ))
ASSI { 39}
(( segid "SAP" and resid 214 and name HB1 ))
(( segid "SAP" and resid 214 and name HA ))
2.300 0.700 0.700 peak 39 spectrum 1 weight 0.10000E+01 volume 0.88514E-02 ppm1 4.271 ppm2 1.847 CV 1
OR { 39}
(( segid "SAP" and resid 210 and name HB1 ))
(( segid "SAP" and resid 210 and name HA ))
ASSI { 42}
(( segid "SAP" and resid 177 and name HG2 ))
(( segid "SAP" and resid 177 and name HA ))
2.500 0.800 0.800 peak 42 spectrum 1 weight 0.10000E+01 volume 0.55922E-02 ppm1 4.083 ppm2 2.404 CV 1
OR { 42}
(( segid "SAP" and resid 180 and name HG1 ))
(( segid "SAP" and resid 177 and name HA ))
ASSI { 47}
( segid "SAP" and resid 178 and name HD2%)
(( segid "SAP" and resid 162 and name HE2 ))
2.600 0.800 0.800 peak 47 spectrum 1 weight 0.10000E+01 volume 0.52726E-02 ppm1 2.932 ppm2 0.819 CV 1
OR { 47}
( segid "SAP" and resid 173 and name HD1%)
(( segid "SAP" and resid 162 and name HE2 ))
OR { 47}
( segid "SAP" and resid 178 and name HD2%)
(( segid "SAP" and resid 162 and name HE1 ))
OR { 47}
( segid "SAP" and resid 173 and name HD1%)
(( segid "SAP" and resid 162 and name HE1 ))
ASSI { 126}
(( segid "SAP" and resid 208 and name HB1 ))
( segid "SAP" and resid 204 and name HG2%)
3.300 1.400 1.400 peak 126 spectrum 1 weight 0.10000E+01 volume 0.22113E-02 ppm1 -0.038 ppm2 1.823 CV 1
OR { 126}
(( segid "SAP" and resid 205 and name HG1 ))
( segid "SAP" and resid 204 and name HG2%)
OR { 126}
(( segid "SAP" and resid 205 and name HB1 ))
( segid "SAP" and resid 204 and name HG2%)
OR { 126}
(( segid "SAP" and resid 205 and name HB2 ))
( segid "SAP" and resid 204 and name HG2%)
ASSI { 129}
(( segid "SAP" and resid 214 and name HE2 ))
(( segid "SAP" and resid 214 and name HB1 ))
3.900 1.900 1.900 peak 129 spectrum 1 weight 0.10000E+01 volume 0.67425E-03 ppm1 1.834 ppm2 2.946 CV 1
OR { 129}
(( segid "SAP" and resid 214 and name HE1 ))
(( segid "SAP" and resid 214 and name HB1 ))
OR { 129}
(( segid "SAP" and resid 210 and name HE1 ))
(( segid "SAP" and resid 210 and name HB1 ))
OR { 129}
(( segid "SAP" and resid 210 and name HE2 ))
(( segid "SAP" and resid 210 and name HB1 ))
OR { 129}
(( segid "SAP" and resid 208 and name HE2 ))
(( segid "SAP" and resid 208 and name HB1 ))
ASSI { 132}
(( segid "SAP" and resid 194 and name HA ))
( segid "SAP" and resid 197 and name HD2%)
3.000 1.100 1.100 peak 132 spectrum 1 weight 0.10000E+01 volume 0.26203E-02 ppm1 -0.045 ppm2 3.953 CV 1
OR { 132}
(( segid "SAP" and resid 203 and name HB2 ))
( segid "SAP" and resid 204 and name HG2%)
ASSI { 139}
(( segid "SAP" and resid 208 and name HB1 ))
( segid "SAP" and resid 204 and name HG1%)
3.600 1.600 1.600 peak 139 spectrum 1 weight 0.10000E+01 volume 0.11440E-02 ppm1 0.316 ppm2 1.826 CV 1
OR { 139}
(( segid "SAP" and resid 205 and name HB1 ))
( segid "SAP" and resid 204 and name HG1%)
OR { 139}
(( segid "SAP" and resid 205 and name HG1 ))
( segid "SAP" and resid 204 and name HG1%)
OR { 139}
(( segid "SAP" and resid 205 and name HB2 ))
( segid "SAP" and resid 204 and name HG1%)
ASSI { 168}
(( segid "SAP" and resid 198 and name HA ))
( segid "SAP" and resid 201 and name HD1%)
3.000 1.100 1.100 peak 168 spectrum 1 weight 0.10000E+01 volume 0.20611E-02 ppm1 1.035 ppm2 3.859 CV 1
OR { 168}
(( segid "SAP" and resid 197 and name HA ))
( segid "SAP" and resid 201 and name HD1%)
ASSI { 170}
(( segid "SAP" and resid 210 and name HA ))
(( segid "SAP" and resid 210 and name HB2 ))
2.500 0.800 0.800 peak 170 spectrum 1 weight 0.10000E+01 volume 0.66466E-02 ppm1 1.736 ppm2 4.273 CV 1
OR { 170}
(( segid "SAP" and resid 214 and name HA ))
(( segid "SAP" and resid 214 and name HB2 ))
ASSI { 190}
(( segid "SAP" and resid 171 and name HB1 ))
(( segid "SAP" and resid 171 and name HA ))
2.100 0.500 0.500 peak 190 spectrum 1 weight 0.10000E+01 volume 0.12654E-01 ppm1 4.467 ppm2 2.269 CV 1
OR { 190}
(( segid "SAP" and resid 139 and name HB1 ))
(( segid "SAP" and resid 139 and name HA ))
ASSI { 191}
(( segid "SAP" and resid 139 and name HB2 ))
(( segid "SAP" and resid 139 and name HA ))
2.700 0.900 0.900 peak 191 spectrum 1 weight 0.10000E+01 volume 0.57838E-02 ppm1 4.472 ppm2 1.876 CV 1
OR { 191}
(( segid "SAP" and resid 171 and name HB2 ))
(( segid "SAP" and resid 171 and name HA ))
ASSI { 207}
( segid "SAP" and resid 140 and name HG2%)
(( segid "SAP" and resid 141 and name HG1 ))
3.800 1.800 1.800 peak 207 spectrum 1 weight 0.10000E+01 volume 0.71260E-03 ppm1 2.308 ppm2 0.900 CV 1
OR { 207}
( segid "SAP" and resid 140 and name HG1%)
(( segid "SAP" and resid 141 and name HG1 ))
OR { 207}
( segid "SAP" and resid 140 and name HG2%)
(( segid "SAP" and resid 141 and name HG2 ))
OR { 207}
( segid "SAP" and resid 140 and name HG1%)
(( segid "SAP" and resid 141 and name HG2 ))
OR { 207}
( segid "SAP" and resid 153 and name HD1%)
(( segid "SAP" and resid 152 and name HG1 ))
ASSI { 208}
( segid "SAP" and resid 143 and name HG2%)
(( segid "SAP" and resid 144 and name HB2 ))
5.100 3.200 0.900 peak 208 spectrum 1 weight 0.10000E+01 volume 0.14507E-03 ppm1 2.547 ppm2 0.892 CV 1
OR { 208}
( segid "SAP" and resid 140 and name HG1%)
(( segid "SAP" and resid 142 and name HB2 ))
ASSI { 220}
(( segid "SAP" and resid 175 and name HB1 ))
(( segid "SAP" and resid 175 and name HG1 ))
2.900 1.100 1.100 peak 220 spectrum 1 weight 0.10000E+01 volume 0.23040E-02 ppm1 1.156 ppm2 1.860 CV 1
OR { 220}
(( segid "SAP" and resid 143 and name HB ))
(( segid "SAP" and resid 143 and name HG12))
OR { 220}
(( segid "SAP" and resid 175 and name HB2 ))
(( segid "SAP" and resid 175 and name HG1 ))
ASSI { 221}
(( segid "SAP" and resid 141 and name HB1 ))
(( segid "SAP" and resid 143 and name HG12))
4.500 2.500 1.500 peak 221 spectrum 1 weight 0.10000E+01 volume 0.40902E-03 ppm1 1.154 ppm2 2.042 CV 1
OR { 221}
(( segid "SAP" and resid 155 and name HB ))
(( segid "SAP" and resid 175 and name HG1 ))
OR { 221}
(( segid "SAP" and resid 158 and name HB1 ))
(( segid "SAP" and resid 175 and name HG1 ))
ASSI { 229}
(( segid "SAP" and resid 214 and name HE2 ))
(( segid "SAP" and resid 214 and name HB2 ))
3.800 1.800 1.800 peak 229 spectrum 1 weight 0.10000E+01 volume 0.75414E-03 ppm1 1.734 ppm2 2.942 CV 1
OR { 229}
(( segid "SAP" and resid 210 and name HE2 ))
(( segid "SAP" and resid 210 and name HB2 ))
OR { 229}
(( segid "SAP" and resid 210 and name HE1 ))
(( segid "SAP" and resid 210 and name HB2 ))
OR { 229}
(( segid "SAP" and resid 214 and name HE1 ))
(( segid "SAP" and resid 214 and name HB2 ))
OR { 229}
(( segid "SAP" and resid 208 and name HE2 ))
(( segid "SAP" and resid 208 and name HB2 ))
ASSI { 235}
(( segid "SAP" and resid 143 and name HB ))
( segid "SAP" and resid 143 and name HG2%)
2.500 0.800 0.800 peak 235 spectrum 1 weight 0.10000E+01 volume 0.47933E-02 ppm1 0.895 ppm2 1.870 CV 1
OR { 235}
(( segid "SAP" and resid 146 and name HG1 ))
( segid "SAP" and resid 143 and name HG2%)
ASSI { 257}
(( segid "SAP" and resid 144 and name HB1 ))
( segid "SAP" and resid 145 and name HG2%)
4.300 2.300 1.700 peak 257 spectrum 1 weight 0.10000E+01 volume 0.47613E-03 ppm1 1.213 ppm2 2.640 CV 1
OR { 257}
(( segid "SAP" and resid 195 and name HB1 ))
( segid "SAP" and resid 198 and name HG2%)
ASSI { 258}
(( segid "SAP" and resid 144 and name HB2 ))
( segid "SAP" and resid 145 and name HG2%)
4.300 2.300 1.700 peak 258 spectrum 1 weight 0.10000E+01 volume 0.62312E-03 ppm1 1.216 ppm2 2.542 CV 1
OR { 258}
(( segid "SAP" and resid 195 and name HB2 ))
( segid "SAP" and resid 198 and name HG2%)
ASSI { 259}
(( segid "SAP" and resid 199 and name HB1 ))
(( segid "SAP" and resid 199 and name HA ))
2.400 0.700 0.700 peak 259 spectrum 1 weight 0.10000E+01 volume 0.78926E-02 ppm1 4.213 ppm2 3.159 CV 1
OR { 259}
(( segid "SAP" and resid 202 and name HB2 ))
(( segid "SAP" and resid 199 and name HA ))
ASSI { 270}
(( segid "SAP" and resid 145 and name HA ))
(( segid "SAP" and resid 146 and name HD2 ))
2.100 0.600 0.600 peak 270 spectrum 1 weight 0.10000E+01 volume 0.11248E-01 ppm1 3.688 ppm2 4.572 CV 1
OR { 270}
(( segid "SAP" and resid 167 and name HA ))
(( segid "SAP" and resid 168 and name HD2 ))
ASSI { 279}
(( segid "SAP" and resid 139 and name HG1 ))
(( segid "SAP" and resid 139 and name HD1 ))
2.300 0.700 0.700 peak 279 spectrum 1 weight 0.10000E+01 volume 0.81168E-02 ppm1 3.769 ppm2 1.983 CV 1
OR { 279}
(( segid "SAP" and resid 171 and name HG2 ))
(( segid "SAP" and resid 171 and name HD1 ))
OR { 279}
(( segid "SAP" and resid 139 and name HG2 ))
(( segid "SAP" and resid 139 and name HD1 ))
OR { 279}
(( segid "SAP" and resid 171 and name HG1 ))
(( segid "SAP" and resid 171 and name HD1 ))
ASSI { 302}
( segid "SAP" and resid 150 and name HD1%)
(( segid "SAP" and resid 148 and name HB ))
4.000 2.000 2.000 peak 302 spectrum 1 weight 0.10000E+01 volume 0.26842E-03 ppm1 1.817 ppm2 0.441 CV 1
OR { 302}
( segid "SAP" and resid 179 and name HG2%)
(( segid "SAP" and resid 175 and name HB1 ))
OR { 302}
( segid "SAP" and resid 179 and name HG2%)
(( segid "SAP" and resid 175 and name HB2 ))
ASSI { 311}
( segid "SAP" and resid 178 and name HD1%)
(( segid "SAP" and resid 178 and name HB2 ))
2.400 0.700 0.700 peak 311 spectrum 1 weight 0.10000E+01 volume 0.70301E-02 ppm1 1.576 ppm2 0.812 CV 1
OR { 311}
( segid "SAP" and resid 213 and name HD2%)
(( segid "SAP" and resid 213 and name HB2 ))
OR { 311}
( segid "SAP" and resid 213 and name HD2%)
(( segid "SAP" and resid 213 and name HB1 ))
ASSI { 314}
( segid "SAP" and resid 201 and name HD1%)
( segid "SAP" and resid 197 and name HD2%)
2.800 1.000 1.000 peak 314 spectrum 1 weight 0.10000E+01 volume 0.45057E-02 ppm1 -0.050 ppm2 1.041 CV 1
OR { 314}
( segid "SAP" and resid 196 and name HG2%)
( segid "SAP" and resid 197 and name HD2%)
ASSI { 317}
(( segid "SAP" and resid 201 and name HG11))
( segid "SAP" and resid 197 and name HD2%)
3.700 1.700 1.700 peak 317 spectrum 1 weight 0.10000E+01 volume 0.73816E-03 ppm1 -0.049 ppm2 2.219 CV 1
OR { 317}
(( segid "SAP" and resid 193 and name HG1 ))
( segid "SAP" and resid 197 and name HD2%)
ASSI { 322}
(( segid "SAP" and resid 164 and name HB1 ))
(( segid "SAP" and resid 164 and name HA ))
2.600 0.900 0.900 peak 322 spectrum 1 weight 0.10000E+01 volume 0.60075E-02 ppm1 3.949 ppm2 2.941 CV 1
OR { 322}
(( segid "SAP" and resid 194 and name HE1 ))
(( segid "SAP" and resid 194 and name HA ))
OR { 322}
(( segid "SAP" and resid 194 and name HE2 ))
(( segid "SAP" and resid 194 and name HA ))
ASSI { 357}
(( segid "SAP" and resid 186 and name HB1 ))
( segid "SAP" and resid 150 and name HD1%)
3.500 1.500 1.500 peak 357 spectrum 1 weight 0.10000E+01 volume 0.13965E-02 ppm1 0.443 ppm2 3.344 CV 1
OR { 357}
(( segid "SAP" and resid 182 and name HA ))
( segid "SAP" and resid 150 and name HD1%)
ASSI { 369}
(( segid "SAP" and resid 183 and name HA1 ))
( segid "SAP" and resid 150 and name HD2%)
4.100 2.100 1.900 peak 369 spectrum 1 weight 0.10000E+01 volume 0.80525E-03 ppm1 0.193 ppm2 3.935 CV 1
OR { 369}
(( segid "SAP" and resid 148 and name HA ))
( segid "SAP" and resid 150 and name HD2%)
ASSI { 376}
( segid "SAP" and resid 148 and name HG2%)
( segid "SAP" and resid 150 and name HD2%)
2.400 0.700 0.700 peak 376 spectrum 1 weight 0.10000E+01 volume 0.84359E-02 ppm1 0.195 ppm2 0.658 CV 1
OR { 376}
( segid "SAP" and resid 158 and name HD2%)
( segid "SAP" and resid 150 and name HD2%)
ASSI { 378}
( segid "SAP" and resid 196 and name HG2%)
(( segid "SAP" and resid 197 and name HA ))
3.400 1.500 1.500 peak 378 spectrum 1 weight 0.10000E+01 volume 0.89792E-03 ppm1 3.827 ppm2 1.039 CV 1
OR { 378}
( segid "SAP" and resid 201 and name HD1%)
(( segid "SAP" and resid 197 and name HA ))
ASSI { 394}
(( segid "SAP" and resid 180 and name HA ))
(( segid "SAP" and resid 180 and name HB2 ))
2.100 0.500 0.500 peak 394 spectrum 1 weight 0.10000E+01 volume 0.16009E-01 ppm1 2.146 ppm2 4.011 CV 1
OR { 394}
(( segid "SAP" and resid 160 and name HA ))
(( segid "SAP" and resid 160 and name HB2 ))
OR { 394}
(( segid "SAP" and resid 180 and name HA ))
(( segid "SAP" and resid 180 and name HB1 ))
ASSI { 398}
(( segid "SAP" and resid 157 and name HB ))
( segid "SAP" and resid 153 and name HD1%)
2.700 0.900 0.900 peak 398 spectrum 1 weight 0.10000E+01 volume 0.89157E-02 ppm1 0.888 ppm2 4.445 CV 1
OR { 398}
(( segid "SAP" and resid 153 and name HA ))
( segid "SAP" and resid 153 and name HD1%)
ASSI { 407}
(( segid "SAP" and resid 150 and name HB1 ))
( segid "SAP" and resid 153 and name HD1%)
2.400 0.700 0.700 peak 407 spectrum 1 weight 0.10000E+01 volume 0.46335E-02 ppm1 0.886 ppm2 1.446 CV 1
OR { 407}
( segid "SAP" and resid 157 and name HG2%)
( segid "SAP" and resid 153 and name HD1%)
ASSI { 411}
( segid "SAP" and resid 150 and name HD1%)
( segid "SAP" and resid 153 and name HD2%)
3.400 1.500 1.500 peak 411 spectrum 1 weight 0.10000E+01 volume 0.24733E-02 ppm1 0.752 ppm2 0.454 CV 1
OR { 411}
( segid "SAP" and resid 179 and name HG2%)
( segid "SAP" and resid 178 and name HD2%)
ASSI { 415}
( segid "SAP" and resid 155 and name HG1%)
(( segid "SAP" and resid 154 and name HA ))
4.800 2.800 1.200 peak 415 spectrum 1 weight 0.10000E+01 volume 0.35151E-03 ppm1 4.263 ppm2 1.052 CV 1
OR { 415}
(( segid "SAP" and resid 175 and name HG2 ))
(( segid "SAP" and resid 154 and name HA ))
OR { 415}
( segid "SAP" and resid 169 and name HG2%)
(( segid "SAP" and resid 173 and name HA ))
ASSI { 421}
(( segid "SAP" and resid 154 and name HA ))
(( segid "SAP" and resid 154 and name HG1 ))
2.500 0.800 0.800 peak 421 spectrum 1 weight 0.10000E+01 volume 0.58158E-02 ppm1 2.611 ppm2 4.262 CV 1
OR { 421}
(( segid "SAP" and resid 173 and name HA ))
(( segid "SAP" and resid 177 and name HG1 ))
OR { 421}
(( segid "SAP" and resid 154 and name HA ))
(( segid "SAP" and resid 154 and name HG2 ))
ASSI { 423}
(( segid "SAP" and resid 175 and name HD1 ))
(( segid "SAP" and resid 155 and name HA ))
3.200 1.300 1.300 peak 423 spectrum 1 weight 0.10000E+01 volume 0.14156E-02 ppm1 3.619 ppm2 1.558 CV 1
OR { 423}
(( segid "SAP" and resid 175 and name HD2 ))
(( segid "SAP" and resid 155 and name HA ))
OR { 423}
(( segid "SAP" and resid 158 and name HG ))
(( segid "SAP" and resid 155 and name HA ))
OR { 423}
(( segid "SAP" and resid 178 and name HB2 ))
(( segid "SAP" and resid 155 and name HA ))
ASSI { 433}
( segid "SAP" and resid 158 and name HD1%)
(( segid "SAP" and resid 155 and name HB ))
4.000 2.000 2.000 peak 433 spectrum 1 weight 0.10000E+01 volume 0.89157E-03 ppm1 2.083 ppm2 0.683 CV 1
OR { 433}
( segid "SAP" and resid 189 and name HG2%)
(( segid "SAP" and resid 190 and name HB1 ))
ASSI { 441}
(( segid "SAP" and resid 175 and name HE2 ))
( segid "SAP" and resid 155 and name HG1%)
3.600 1.600 1.600 peak 441 spectrum 1 weight 0.10000E+01 volume 0.19077E-02 ppm1 1.042 ppm2 2.533 CV 1
OR { 441}
(( segid "SAP" and resid 195 and name HB2 ))
( segid "SAP" and resid 196 and name HG2%)
ASSI { 445}
(( segid "SAP" and resid 175 and name HD1 ))
( segid "SAP" and resid 155 and name HG1%)
2.300 0.700 0.700 peak 445 spectrum 1 weight 0.10000E+01 volume 0.10354E-01 ppm1 1.042 ppm2 1.556 CV 1
OR { 445}
(( segid "SAP" and resid 175 and name HD2 ))
( segid "SAP" and resid 155 and name HG1%)
OR { 445}
(( segid "SAP" and resid 159 and name HG2 ))
( segid "SAP" and resid 155 and name HG1%)
ASSI { 453}
(( segid "SAP" and resid 156 and name HA ))
( segid "SAP" and resid 155 and name HG2%)
3.200 1.300 1.300 peak 453 spectrum 1 weight 0.10000E+01 volume 0.23359E-02 ppm1 0.949 ppm2 4.446 CV 1
OR { 453}
(( segid "SAP" and resid 139 and name HA ))
( segid "SAP" and resid 140 and name HG2%)
ASSI { 464}
(( segid "SAP" and resid 139 and name HB2 ))
( segid "SAP" and resid 140 and name HG2%)
2.600 0.900 0.900 peak 464 spectrum 1 weight 0.10000E+01 volume 0.67744E-02 ppm1 0.948 ppm2 1.870 CV 1
OR { 464}
(( segid "SAP" and resid 159 and name HG1 ))
( segid "SAP" and resid 155 and name HG2%)
ASSI { 465}
(( segid "SAP" and resid 175 and name HD1 ))
( segid "SAP" and resid 155 and name HG2%)
2.500 0.800 0.800 peak 465 spectrum 1 weight 0.10000E+01 volume 0.58477E-02 ppm1 0.948 ppm2 1.554 CV 1
OR { 465}
(( segid "SAP" and resid 175 and name HD2 ))
( segid "SAP" and resid 155 and name HG2%)
OR { 465}
(( segid "SAP" and resid 178 and name HB2 ))
( segid "SAP" and resid 155 and name HG2%)
ASSI { 475}
(( segid "SAP" and resid 160 and name HG2 ))
(( segid "SAP" and resid 157 and name HA ))
4.400 2.400 1.600 peak 475 spectrum 1 weight 0.10000E+01 volume 0.48252E-03 ppm1 4.146 ppm2 1.570 CV 1
OR { 475}
(( segid "SAP" and resid 158 and name HG ))
(( segid "SAP" and resid 157 and name HA ))
ASSI { 492}
( segid "SAP" and resid 182 and name HG1%)
(( segid "SAP" and resid 158 and name HA ))
3.100 1.200 1.200 peak 492 spectrum 1 weight 0.10000E+01 volume 0.30102E-02 ppm1 3.930 ppm2 0.781 CV 1
OR { 492}
( segid "SAP" and resid 178 and name HD1%)
(( segid "SAP" and resid 158 and name HA ))
OR { 492}
( segid "SAP" and resid 178 and name HD2%)
(( segid "SAP" and resid 158 and name HA ))
ASSI { 494}
(( segid "SAP" and resid 158 and name HG ))
(( segid "SAP" and resid 158 and name HB1 ))
3.800 1.800 1.800 peak 494 spectrum 1 weight 0.10000E+01 volume 0.86280E-03 ppm1 2.078 ppm2 1.564 CV 1
OR { 494}
(( segid "SAP" and resid 178 and name HB2 ))
(( segid "SAP" and resid 158 and name HB1 ))
ASSI { 496}
(( segid "SAP" and resid 194 and name HB1 ))
(( segid "SAP" and resid 194 and name HA ))
1.900 0.500 0.500 peak 496 spectrum 1 weight 0.10000E+01 volume 0.27577E-01 ppm1 3.944 ppm2 1.898 CV 1
OR { 496}
(( segid "SAP" and resid 159 and name HB1 ))
(( segid "SAP" and resid 159 and name HA ))
OR { 496}
(( segid "SAP" and resid 159 and name HB2 ))
(( segid "SAP" and resid 159 and name HA ))
OR { 496}
(( segid "SAP" and resid 194 and name HB2 ))
(( segid "SAP" and resid 194 and name HA ))
ASSI { 498}
( segid "SAP" and resid 178 and name HD2%)
(( segid "SAP" and resid 159 and name HA ))
2.700 0.900 0.900 peak 498 spectrum 1 weight 0.10000E+01 volume 0.36749E-02 ppm1 3.943 ppm2 0.781 CV 1
OR { 498}
( segid "SAP" and resid 167 and name HD2%)
(( segid "SAP" and resid 162 and name HA ))
ASSI { 499}
(( segid "SAP" and resid 162 and name HG2 ))
(( segid "SAP" and resid 162 and name HA ))
2.300 0.700 0.700 peak 499 spectrum 1 weight 0.10000E+01 volume 0.89471E-02 ppm1 3.944 ppm2 1.493 CV 1
OR { 499}
(( segid "SAP" and resid 194 and name HG1 ))
(( segid "SAP" and resid 194 and name HA ))
ASSI { 522}
(( segid "SAP" and resid 163 and name HA ))
(( segid "SAP" and resid 163 and name HG1 ))
2.800 1.000 1.000 peak 522 spectrum 1 weight 0.10000E+01 volume 0.35470E-02 ppm1 1.836 ppm2 4.162 CV 1
OR { 522}
(( segid "SAP" and resid 202 and name HA ))
(( segid "SAP" and resid 205 and name HG1 ))
ASSI { 525}
(( segid "SAP" and resid 163 and name HG2 ))
(( segid "SAP" and resid 163 and name HG1 ))
1.600 0.300 0.600 peak 525 spectrum 1 weight 0.10000E+01 volume 0.36109E-01 ppm1 1.833 ppm2 1.600 CV 1
OR { 525}
(( segid "SAP" and resid 205 and name HG2 ))
(( segid "SAP" and resid 205 and name HG1 ))
ASSI { 541}
(( segid "SAP" and resid 185 and name HB1 ))
( segid "SAP" and resid 167 and name HD1%)
2.700 0.900 0.900 peak 541 spectrum 1 weight 0.10000E+01 volume 0.37068E-02 ppm1 0.872 ppm2 3.321 CV 1
OR { 541}
(( segid "SAP" and resid 182 and name HA ))
( segid "SAP" and resid 167 and name HD1%)
ASSI { 553}
(( segid "SAP" and resid 170 and name HB2 ))
(( segid "SAP" and resid 169 and name HB ))
3.800 1.900 1.900 peak 553 spectrum 1 weight 0.10000E+01 volume 0.97460E-03 ppm1 4.156 ppm2 1.702 CV 1
OR { 553}
(( segid "SAP" and resid 162 and name HD1 ))
(( segid "SAP" and resid 169 and name HB ))
OR { 553}
(( segid "SAP" and resid 181 and name HG11))
(( segid "SAP" and resid 169 and name HB ))
ASSI { 555}
(( segid "SAP" and resid 170 and name HG2 ))
(( segid "SAP" and resid 169 and name HB ))
4.300 2.300 1.700 peak 555 spectrum 1 weight 0.10000E+01 volume 0.47613E-03 ppm1 4.154 ppm2 1.582 CV 1
OR { 555}
(( segid "SAP" and resid 170 and name HG1 ))
(( segid "SAP" and resid 169 and name HB ))
OR { 555}
(( segid "SAP" and resid 162 and name HD2 ))
(( segid "SAP" and resid 169 and name HB ))
ASSI { 567}
(( segid "SAP" and resid 169 and name HA ))
( segid "SAP" and resid 173 and name HD1%)
3.800 1.800 1.800 peak 567 spectrum 1 weight 0.10000E+01 volume 0.11824E-02 ppm1 0.843 ppm2 4.485 CV 1
OR { 567}
(( segid "SAP" and resid 171 and name HA ))
( segid "SAP" and resid 173 and name HD1%)
ASSI { 574}
(( segid "SAP" and resid 179 and name HA ))
( segid "SAP" and resid 182 and name HG1%)
3.000 1.100 1.100 peak 574 spectrum 1 weight 0.10000E+01 volume 0.24126E-02 ppm1 0.725 ppm2 3.167 CV 1
OR { 574}
(( segid "SAP" and resid 170 and name HD1 ))
( segid "SAP" and resid 173 and name HD2%)
ASSI { 579}
(( segid "SAP" and resid 174 and name HA ))
(( segid "SAP" and resid 174 and name HB2 ))
2.500 0.800 0.800 peak 579 spectrum 1 weight 0.10000E+01 volume 0.57838E-02 ppm1 2.904 ppm2 4.759 CV 1
OR { 579}
(( segid "SAP" and resid 192 and name HA ))
(( segid "SAP" and resid 192 and name HB1 ))
ASSI { 581}
(( segid "SAP" and resid 175 and name HG2 ))
(( segid "SAP" and resid 175 and name HA ))
3.000 1.100 1.100 peak 581 spectrum 1 weight 0.10000E+01 volume 0.35151E-02 ppm1 3.743 ppm2 1.038 CV 1
OR { 581}
( segid "SAP" and resid 155 and name HG1%)
(( segid "SAP" and resid 175 and name HA ))
ASSI { 597}
(( segid "SAP" and resid 177 and name HG2 ))
(( segid "SAP" and resid 177 and name HG1 ))
1.700 0.400 0.500 peak 597 spectrum 1 weight 0.10000E+01 volume 0.25341E-01 ppm1 2.641 ppm2 2.404 CV 1
OR { 597}
(( segid "SAP" and resid 154 and name HB1 ))
(( segid "SAP" and resid 154 and name HG1 ))
ASSI { 600}
( segid "SAP" and resid 176 and name HB% )
(( segid "SAP" and resid 177 and name HG1 ))
4.000 2.000 2.000 peak 600 spectrum 1 weight 0.10000E+01 volume 0.12143E-02 ppm1 2.648 ppm2 1.509 CV 1
OR { 600}
(( segid "SAP" and resid 173 and name HB2 ))
(( segid "SAP" and resid 177 and name HG1 ))
ASSI { 601}
( segid "SAP" and resid 176 and name HB% )
(( segid "SAP" and resid 177 and name HG2 ))
3.500 1.600 1.600 peak 601 spectrum 1 weight 0.10000E+01 volume 0.10577E-02 ppm1 2.402 ppm2 1.479 CV 1
OR { 601}
(( segid "SAP" and resid 173 and name HB2 ))
(( segid "SAP" and resid 177 and name HG2 ))
ASSI { 607}
(( segid "SAP" and resid 175 and name HA ))
(( segid "SAP" and resid 178 and name HB1 ))
3.900 1.900 1.900 peak 607 spectrum 1 weight 0.10000E+01 volume 0.12079E-02 ppm1 1.769 ppm2 3.737 CV 1
OR { 607}
(( segid "SAP" and resid 172 and name HA2 ))
(( segid "SAP" and resid 173 and name HB1 ))
ASSI { 609}
( segid "SAP" and resid 178 and name HD2%)
(( segid "SAP" and resid 178 and name HB1 ))
2.100 0.600 0.600 peak 609 spectrum 1 weight 0.10000E+01 volume 0.11216E-01 ppm1 1.770 ppm2 0.817 CV 1
OR { 609}
( segid "SAP" and resid 173 and name HD1%)
(( segid "SAP" and resid 173 and name HB1 ))
OR { 609}
( segid "SAP" and resid 178 and name HD1%)
(( segid "SAP" and resid 178 and name HB1 ))
ASSI { 610}
(( segid "SAP" and resid 158 and name HB2 ))
(( segid "SAP" and resid 158 and name HG ))
2.800 1.000 1.000 peak 610 spectrum 1 weight 0.10000E+01 volume 0.18214E-02 ppm1 1.552 ppm2 1.194 CV 1
OR { 610}
(( segid "SAP" and resid 153 and name HB2 ))
(( segid "SAP" and resid 158 and name HG ))
ASSI { 614}
(( segid "SAP" and resid 162 and name HE2 ))
( segid "SAP" and resid 178 and name HD1%)
4.300 2.300 1.700 peak 614 spectrum 1 weight 0.10000E+01 volume 0.55602E-03 ppm1 0.815 ppm2 2.942 CV 1
OR { 614}
(( segid "SAP" and resid 174 and name HB2 ))
( segid "SAP" and resid 178 and name HD1%)
OR { 614}
(( segid "SAP" and resid 162 and name HE1 ))
( segid "SAP" and resid 178 and name HD1%)
ASSI { 626}
(( segid "SAP" and resid 175 and name HE2 ))
( segid "SAP" and resid 179 and name HG1%)
3.400 1.500 1.500 peak 626 spectrum 1 weight 0.10000E+01 volume 0.16393E-02 ppm1 0.588 ppm2 2.530 CV 1
OR { 626}
(( segid "SAP" and resid 149 and name HB2 ))
( segid "SAP" and resid 179 and name HG1%)
ASSI { 632}
(( segid "SAP" and resid 180 and name HG1 ))
( segid "SAP" and resid 179 and name HG2%)
4.200 2.200 1.800 peak 632 spectrum 1 weight 0.10000E+01 volume 0.22305E-03 ppm1 0.482 ppm2 2.401 CV 1
OR { 632}
(( segid "SAP" and resid 177 and name HG2 ))
( segid "SAP" and resid 179 and name HG2%)
ASSI { 633}
(( segid "SAP" and resid 180 and name HB1 ))
( segid "SAP" and resid 179 and name HG2%)
3.500 3.500 2.500 peak 633 spectrum 1 weight 0.10000E+01 volume 0.56880E-03 ppm1 0.477 ppm2 2.162 CV 1
OR { 633}
(( segid "SAP" and resid 180 and name HB2 ))
( segid "SAP" and resid 179 and name HG2%)
OR { 633}
(( segid "SAP" and resid 154 and name HB2 ))
( segid "SAP" and resid 179 and name HG2%)
ASSI { 635}
(( segid "SAP" and resid 182 and name HB ))
( segid "SAP" and resid 179 and name HG2%)
3.200 3.200 2.800 peak 635 spectrum 1 weight 0.10000E+01 volume 0.88836E-03 ppm1 0.479 ppm2 1.711 CV 1
OR { 635}
(( segid "SAP" and resid 162 and name HG1 ))
( segid "SAP" and resid 179 and name HG2%)
OR { 635}
(( segid "SAP" and resid 173 and name HB1 ))
( segid "SAP" and resid 179 and name HG2%)
ASSI { 636}
(( segid "SAP" and resid 150 and name HB1 ))
( segid "SAP" and resid 179 and name HG2%)
2.800 1.000 1.000 peak 636 spectrum 1 weight 0.10000E+01 volume 0.44098E-02 ppm1 0.481 ppm2 1.499 CV 1
OR { 636}
( segid "SAP" and resid 176 and name HB% )
( segid "SAP" and resid 179 and name HG2%)
ASSI { 644}
(( segid "SAP" and resid 154 and name HB1 ))
(( segid "SAP" and resid 154 and name HB2 ))
1.700 0.300 0.500 peak 644 spectrum 1 weight 0.10000E+01 volume 0.31412E-01 ppm1 2.150 ppm2 2.396 CV 1
OR { 644}
(( segid "SAP" and resid 180 and name HG1 ))
(( segid "SAP" and resid 180 and name HB2 ))
ASSI { 654}
(( segid "SAP" and resid 178 and name HA ))
( segid "SAP" and resid 181 and name HG2%)
3.700 1.700 1.700 peak 654 spectrum 1 weight 0.10000E+01 volume 0.13069E-02 ppm1 0.955 ppm2 4.042 CV 1
OR { 654}
(( segid "SAP" and resid 185 and name HA ))
( segid "SAP" and resid 181 and name HG2%)
ASSI { 656}
(( segid "SAP" and resid 182 and name HA ))
( segid "SAP" and resid 181 and name HG2%)
3.400 1.400 1.400 peak 656 spectrum 1 weight 0.10000E+01 volume 0.95547E-03 ppm1 0.959 ppm2 3.324 CV 1
OR { 656}
(( segid "SAP" and resid 185 and name HB1 ))
( segid "SAP" and resid 181 and name HG2%)
ASSI { 660}
(( segid "SAP" and resid 169 and name HA ))
( segid "SAP" and resid 181 and name HG2%)
4.500 2.500 1.500 peak 660 spectrum 1 weight 0.10000E+01 volume 0.31220E-03 ppm1 0.950 ppm2 4.513 CV 1
OR { 660}
(( segid "SAP" and resid 167 and name HA ))
( segid "SAP" and resid 181 and name HG2%)
ASSI { 666}
(( segid "SAP" and resid 177 and name HG2 ))
( segid "SAP" and resid 181 and name HD1%)
4.300 2.300 1.700 peak 666 spectrum 1 weight 0.10000E+01 volume 0.56880E-03 ppm1 0.873 ppm2 2.401 CV 1
OR { 666}
(( segid "SAP" and resid 180 and name HG1 ))
( segid "SAP" and resid 181 and name HD1%)
ASSI { 667}
(( segid "SAP" and resid 180 and name HB1 ))
( segid "SAP" and resid 181 and name HD1%)
3.600 1.600 1.600 peak 667 spectrum 1 weight 0.10000E+01 volume 0.15370E-02 ppm1 0.874 ppm2 2.149 CV 1
OR { 667}
(( segid "SAP" and resid 162 and name HB1 ))
( segid "SAP" and resid 181 and name HD1%)
OR { 667}
(( segid "SAP" and resid 180 and name HB2 ))
( segid "SAP" and resid 181 and name HD1%)
ASSI { 675}
(( segid "SAP" and resid 182 and name HA ))
( segid "SAP" and resid 182 and name HG1%)
2.400 0.700 0.700 peak 675 spectrum 1 weight 0.10000E+01 volume 0.81482E-02 ppm1 0.761 ppm2 3.322 CV 1
OR { 675}
(( segid "SAP" and resid 186 and name HB1 ))
( segid "SAP" and resid 182 and name HG1%)
ASSI { 679}
(( segid "SAP" and resid 150 and name HA ))
( segid "SAP" and resid 182 and name HG2%)
4.300 2.300 1.700 peak 679 spectrum 1 weight 0.10000E+01 volume 0.68703E-03 ppm1 -0.195 ppm2 3.789 CV 1
OR { 679}
(( segid "SAP" and resid 151 and name HA ))
( segid "SAP" and resid 182 and name HG2%)
ASSI { 682}
( segid "SAP" and resid 167 and name HD1%)
( segid "SAP" and resid 182 and name HG2%)
3.000 1.200 1.200 peak 682 spectrum 1 weight 0.10000E+01 volume 0.29271E-02 ppm1 -0.194 ppm2 0.873 CV 1
OR { 682}
( segid "SAP" and resid 153 and name HD1%)
( segid "SAP" and resid 182 and name HG2%)
ASSI { 685}
( segid "SAP" and resid 150 and name HD1%)
( segid "SAP" and resid 182 and name HG2%)
3.000 1.100 1.100 peak 685 spectrum 1 weight 0.10000E+01 volume 0.63271E-02 ppm1 -0.193 ppm2 0.452 CV 1
OR { 685}
( segid "SAP" and resid 179 and name HG2%)
( segid "SAP" and resid 182 and name HG2%)
ASSI { 697}
(( segid "SAP" and resid 186 and name HB1 ))
(( segid "SAP" and resid 186 and name HA ))
2.600 0.900 0.900 peak 697 spectrum 1 weight 0.10000E+01 volume 0.52087E-02 ppm1 4.044 ppm2 3.365 CV 1
OR { 697}
(( segid "SAP" and resid 185 and name HB1 ))
(( segid "SAP" and resid 185 and name HA ))
ASSI { 715}
(( segid "SAP" and resid 186 and name HA ))
(( segid "SAP" and resid 189 and name HG12))
4.700 2.700 1.300 peak 715 spectrum 1 weight 0.10000E+01 volume 0.44737E-03 ppm1 0.440 ppm2 4.058 CV 1
OR { 715}
(( segid "SAP" and resid 190 and name HD1 ))
(( segid "SAP" and resid 189 and name HG12))
ASSI { 720}
(( segid "SAP" and resid 190 and name HD1 ))
( segid "SAP" and resid 189 and name HG2%)
3.800 1.800 1.800 peak 720 spectrum 1 weight 0.10000E+01 volume 0.17544E-02 ppm1 0.715 ppm2 4.062 CV 1
OR { 720}
(( segid "SAP" and resid 186 and name HA ))
( segid "SAP" and resid 189 and name HG2%)
ASSI { 724}
( segid "SAP" and resid 189 and name HG2%)
(( segid "SAP" and resid 190 and name HA ))
3.800 1.800 1.800 peak 724 spectrum 1 weight 0.10000E+01 volume 0.10897E-02 ppm1 4.507 ppm2 0.726 CV 1
OR { 724}
( segid "SAP" and resid 191 and name HG1%)
(( segid "SAP" and resid 190 and name HA ))
ASSI { 735}
(( segid "SAP" and resid 185 and name HB1 ))
( segid "SAP" and resid 189 and name HD1%)
4.300 2.400 1.700 peak 735 spectrum 1 weight 0.10000E+01 volume 0.75414E-03 ppm1 0.683 ppm2 3.369 CV 1
OR { 735}
(( segid "SAP" and resid 186 and name HB1 ))
( segid "SAP" and resid 189 and name HD1%)
ASSI { 740}
(( segid "SAP" and resid 180 and name HG2 ))
(( segid "SAP" and resid 180 and name HA ))
2.400 0.700 0.700 peak 740 spectrum 1 weight 0.10000E+01 volume 0.73816E-02 ppm1 4.006 ppm2 2.243 CV 1
OR { 740}
(( segid "SAP" and resid 160 and name HB1 ))
(( segid "SAP" and resid 160 and name HA ))
ASSI { 744}
(( segid "SAP" and resid 152 and name HB2 ))
(( segid "SAP" and resid 152 and name HG1 ))
2.300 0.700 0.700 peak 744 spectrum 1 weight 0.10000E+01 volume 0.10417E-01 ppm1 2.317 ppm2 1.939 CV 1
OR { 744}
(( segid "SAP" and resid 141 and name HB2 ))
(( segid "SAP" and resid 141 and name HG1 ))
OR { 744}
(( segid "SAP" and resid 141 and name HB2 ))
(( segid "SAP" and resid 141 and name HG2 ))
OR { 744}
(( segid "SAP" and resid 152 and name HB2 ))
(( segid "SAP" and resid 152 and name HG2 ))
ASSI { 808}
(( segid "SAP" and resid 163 and name HD2 ))
(( segid "SAP" and resid 163 and name HA ))
4.600 2.600 1.400 peak 808 spectrum 1 weight 0.10000E+01 volume 0.21953E-03 ppm1 4.168 ppm2 2.933 CV 1
OR { 808}
(( segid "SAP" and resid 164 and name HB1 ))
(( segid "SAP" and resid 163 and name HA ))
ASSI { 831}
( segid "SAP" and resid 179 and name HG2%)
(( segid "SAP" and resid 180 and name HA ))
3.700 1.700 1.700 peak 831 spectrum 1 weight 0.10000E+01 volume 0.10002E-02 ppm1 4.000 ppm2 0.478 CV 1
OR { 831}
( segid "SAP" and resid 150 and name HD1%)
(( segid "SAP" and resid 180 and name HA ))
ASSI { 934}
(( segid "SAP" and resid 210 and name HA ))
(( segid "SAP" and resid 210 and name HD1 ))
3.200 1.300 1.300 peak 934 spectrum 1 weight 0.10000E+01 volume 0.23838E-02 ppm1 1.639 ppm2 4.277 CV 1
OR { 934}
(( segid "SAP" and resid 210 and name HA ))
(( segid "SAP" and resid 210 and name HD2 ))
OR { 934}
(( segid "SAP" and resid 214 and name HA ))
(( segid "SAP" and resid 214 and name HD2 ))
OR { 934}
(( segid "SAP" and resid 214 and name HA ))
(( segid "SAP" and resid 214 and name HD1 ))
ASSI { 949}
(( segid "SAP" and resid 159 and name HA ))
(( segid "SAP" and resid 162 and name HD1 ))
3.900 1.900 1.900 peak 949 spectrum 1 weight 0.10000E+01 volume 0.44737E-03 ppm1 1.681 ppm2 3.949 CV 1
OR { 949}
(( segid "SAP" and resid 162 and name HA ))
(( segid "SAP" and resid 162 and name HD1 ))
ASSI { 950}
(( segid "SAP" and resid 159 and name HA ))
(( segid "SAP" and resid 162 and name HD2 ))
3.400 1.500 1.500 peak 950 spectrum 1 weight 0.10000E+01 volume 0.11185E-02 ppm1 1.591 ppm2 3.944 CV 1
OR { 950}
(( segid "SAP" and resid 162 and name HA ))
(( segid "SAP" and resid 162 and name HD2 ))
ASSI { 951}
(( segid "SAP" and resid 169 and name HB ))
(( segid "SAP" and resid 170 and name HB2 ))
4.000 2.000 2.000 peak 951 spectrum 1 weight 0.10000E+01 volume 0.69342E-03 ppm1 1.674 ppm2 4.166 CV 1
OR { 951}
(( segid "SAP" and resid 169 and name HB ))
(( segid "SAP" and resid 162 and name HD1 ))
ASSI { 952}
(( segid "SAP" and resid 169 and name HB ))
(( segid "SAP" and resid 162 and name HD2 ))
4.400 2.400 1.600 peak 952 spectrum 1 weight 0.10000E+01 volume 0.49530E-03 ppm1 1.588 ppm2 4.169 CV 1
OR { 952}
(( segid "SAP" and resid 163 and name HA ))
(( segid "SAP" and resid 162 and name HD2 ))
ASSI { 955}
( segid "SAP" and resid 178 and name HD2%)
(( segid "SAP" and resid 162 and name HD1 ))
2.500 0.800 0.800 peak 955 spectrum 1 weight 0.10000E+01 volume 0.60715E-02 ppm1 1.678 ppm2 0.803 CV 1
OR { 955}
( segid "SAP" and resid 173 and name HD1%)
(( segid "SAP" and resid 162 and name HD1 ))
ASSI { 961}
(( segid "SAP" and resid 181 and name HB ))
(( segid "SAP" and resid 162 and name HD2 ))
2.600 2.600 3.400 peak 961 spectrum 1 weight 0.10000E+01 volume 0.44737E-02 ppm1 1.591 ppm2 1.939 CV 1
OR { 961}
(( segid "SAP" and resid 159 and name HB1 ))
(( segid "SAP" and resid 162 and name HD2 ))
OR { 961}
(( segid "SAP" and resid 159 and name HB2 ))
(( segid "SAP" and resid 162 and name HD2 ))
ASSI { 971}
(( segid "SAP" and resid 170 and name HB1 ))
(( segid "SAP" and resid 171 and name HD2 ))
2.600 0.800 0.800 peak 971 spectrum 1 weight 0.10000E+01 volume 0.56561E-02 ppm1 3.608 ppm2 1.872 CV 1
OR { 971}
(( segid "SAP" and resid 171 and name HB2 ))
(( segid "SAP" and resid 171 and name HD2 ))
ASSI { 973}
(( segid "SAP" and resid 146 and name HG1 ))
(( segid "SAP" and resid 146 and name HD1 ))
2.400 0.700 0.700 peak 973 spectrum 1 weight 0.10000E+01 volume 0.64869E-02 ppm1 3.777 ppm2 1.870 CV 1
OR { 973}
(( segid "SAP" and resid 146 and name HG2 ))
(( segid "SAP" and resid 146 and name HD1 ))
OR { 973}
(( segid "SAP" and resid 170 and name HB1 ))
(( segid "SAP" and resid 171 and name HD1 ))
OR { 973}
(( segid "SAP" and resid 171 and name HB2 ))
(( segid "SAP" and resid 171 and name HD1 ))
ASSI { 978}
(( segid "SAP" and resid 183 and name HA1 ))
( segid "SAP" and resid 182 and name HG1%)
3.000 1.100 1.100 peak 978 spectrum 1 weight 0.10000E+01 volume 0.46016E-02 ppm1 0.762 ppm2 3.931 CV 1
OR { 978}
(( segid "SAP" and resid 158 and name HA ))
( segid "SAP" and resid 182 and name HG1%)
OR { 978}
(( segid "SAP" and resid 162 and name HA ))
( segid "SAP" and resid 167 and name HD2%)
ASSI { 981}
(( segid "SAP" and resid 168 and name HD1 ))
( segid "SAP" and resid 167 and name HD2%)
2.900 1.000 1.000 peak 981 spectrum 1 weight 0.10000E+01 volume 0.65827E-02 ppm1 0.768 ppm2 4.024 CV 1
OR { 981}
(( segid "SAP" and resid 186 and name HA ))
( segid "SAP" and resid 182 and name HG1%)
ASSI { 983}
(( segid "SAP" and resid 185 and name HB2 ))
( segid "SAP" and resid 167 and name HD2%)
2.700 0.900 0.900 peak 983 spectrum 1 weight 0.10000E+01 volume 0.41541E-02 ppm1 0.764 ppm2 3.178 CV 1
OR { 983}
(( segid "SAP" and resid 179 and name HA ))
( segid "SAP" and resid 182 and name HG1%)
ASSI { 984}
(( segid "SAP" and resid 165 and name HB2 ))
( segid "SAP" and resid 167 and name HD2%)
2.900 1.100 1.100 peak 984 spectrum 1 weight 0.10000E+01 volume 0.54963E-02 ppm1 0.770 ppm2 2.072 CV 1
OR { 984}
(( segid "SAP" and resid 158 and name HB1 ))
( segid "SAP" and resid 182 and name HG1%)
OR { 984}
(( segid "SAP" and resid 168 and name HG2 ))
( segid "SAP" and resid 167 and name HD2%)
OR { 984}
(( segid "SAP" and resid 162 and name HB1 ))
( segid "SAP" and resid 167 and name HD2%)
ASSI { 987}
(( segid "SAP" and resid 182 and name HB ))
( segid "SAP" and resid 182 and name HG1%)
2.100 0.600 0.600 peak 987 spectrum 1 weight 0.10000E+01 volume 0.11025E-01 ppm1 0.757 ppm2 1.712 CV 1
OR { 987}
(( segid "SAP" and resid 173 and name HB1 ))
( segid "SAP" and resid 173 and name HD2%)
ASSI { 999}
(( segid "SAP" and resid 159 and name HA ))
(( segid "SAP" and resid 162 and name HG1 ))
3.000 1.100 1.100 peak 999 spectrum 1 weight 0.10000E+01 volume 0.20067E-02 ppm1 1.742 ppm2 3.948 CV 1
OR { 999}
(( segid "SAP" and resid 162 and name HA ))
(( segid "SAP" and resid 162 and name HG1 ))
ASSI { 1009}
(( segid "SAP" and resid 175 and name HG2 ))
(( segid "SAP" and resid 175 and name HD1 ))
2.400 0.700 0.700 peak 1009 spectrum 1 weight 0.10000E+01 volume 0.62312E-02 ppm1 1.556 ppm2 1.041 CV 1
OR { 1009}
(( segid "SAP" and resid 175 and name HG2 ))
(( segid "SAP" and resid 175 and name HD2 ))
OR { 1009}
( segid "SAP" and resid 155 and name HG1%)
(( segid "SAP" and resid 175 and name HD1 ))
ASSI { 1010}
(( segid "SAP" and resid 142 and name HA ))
(( segid "SAP" and resid 142 and name HB2 ))
2.200 0.600 0.600 peak 1010 spectrum 1 weight 0.10000E+01 volume 0.13229E-01 ppm1 2.561 ppm2 4.622 CV 1
OR { 1010}
(( segid "SAP" and resid 137 and name HA ))
(( segid "SAP" and resid 137 and name HB2 ))
OR { 1010}
(( segid "SAP" and resid 144 and name HA ))
(( segid "SAP" and resid 144 and name HB2 ))
ASSI { 1012}
(( segid "SAP" and resid 168 and name HD1 ))
(( segid "SAP" and resid 168 and name HA ))
3.900 1.900 1.900 peak 1012 spectrum 1 weight 0.10000E+01 volume 0.46016E-03 ppm1 4.504 ppm2 4.013 CV 1
OR { 1012}
(( segid "SAP" and resid 140 and name HA ))
(( segid "SAP" and resid 139 and name HA ))
ASSI { 1026}
( segid "SAP" and resid 151 and name HE% )
(( segid "SAP" and resid 179 and name HB ))
4.400 2.400 1.600 peak 1026 spectrum 1 weight 0.10000E+01 volume 0.28344E-03 ppm1 1.927 ppm2 -1.304 CV 1
OR { 1026}
( segid "SAP" and resid 161 and name HD% )
(( segid "SAP" and resid 163 and name HB1 ))
OR { 1026}
( segid "SAP" and resid 161 and name HD% )
(( segid "SAP" and resid 163 and name HB2 ))
ASSI { 1034}
(( segid "SAP" and resid 169 and name HB ))
( segid "SAP" and resid 181 and name HG2%)
4.300 2.300 1.700 peak 1034 spectrum 1 weight 0.10000E+01 volume 0.46335E-03 ppm1 0.955 ppm2 4.161 CV 1
OR { 1034}
(( segid "SAP" and resid 184 and name HA ))
( segid "SAP" and resid 181 and name HG2%)
ASSI { 1047}
(( segid "SAP" and resid 162 and name HG2 ))
( segid "SAP" and resid 181 and name HD1%)
3.300 1.300 1.300 peak 1047 spectrum 1 weight 0.10000E+01 volume 0.24477E-02 ppm1 0.880 ppm2 1.495 CV 1
OR { 1047}
(( segid "SAP" and resid 173 and name HB2 ))
( segid "SAP" and resid 181 and name HD1%)
ASSI { 1061}
(( segid "SAP" and resid 159 and name HD2 ))
(( segid "SAP" and resid 159 and name HB2 ))
2.400 0.700 0.700 peak 1061 spectrum 1 weight 0.10000E+01 volume 0.70940E-02 ppm1 1.879 ppm2 3.173 CV 1
OR { 1061}
(( segid "SAP" and resid 159 and name HD2 ))
(( segid "SAP" and resid 159 and name HB1 ))
OR { 1061}
(( segid "SAP" and resid 159 and name HD1 ))
(( segid "SAP" and resid 159 and name HB2 ))
OR { 1061}
(( segid "SAP" and resid 170 and name HD1 ))
(( segid "SAP" and resid 170 and name HB1 ))
OR { 1061}
(( segid "SAP" and resid 159 and name HD1 ))
(( segid "SAP" and resid 159 and name HB1 ))
ASSI { 1062}
( segid "SAP" and resid 153 and name HD2%)
(( segid "SAP" and resid 153 and name HG ))
2.100 0.500 0.500 peak 1062 spectrum 1 weight 0.10000E+01 volume 0.11951E-01 ppm1 1.624 ppm2 0.745 CV 1
OR { 1062}
( segid "SAP" and resid 167 and name HD2%)
(( segid "SAP" and resid 167 and name HG ))
ASSI { 1063}
(( segid "SAP" and resid 170 and name HB1 ))
(( segid "SAP" and resid 170 and name HG1 ))
1.900 0.500 0.500 peak 1063 spectrum 1 weight 0.10000E+01 volume 0.26171E-01 ppm1 1.614 ppm2 1.865 CV 1
OR { 1063}
(( segid "SAP" and resid 170 and name HB1 ))
(( segid "SAP" and resid 170 and name HG2 ))
OR { 1063}
(( segid "SAP" and resid 153 and name HB1 ))
(( segid "SAP" and resid 153 and name HG ))
ASSI { 1112}
( segid "SAP" and resid 173 and name HD2%)
(( segid "SAP" and resid 173 and name HB2 ))
3.400 1.400 1.400 peak 1112 spectrum 1 weight 0.10000E+01 volume 0.24542E-02 ppm1 1.476 ppm2 0.732 CV 1
OR { 1112}
( segid "SAP" and resid 182 and name HG1%)
(( segid "SAP" and resid 150 and name HB1 ))
ASSI { 1114}
(( segid "SAP" and resid 153 and name HA ))
(( segid "SAP" and resid 153 and name HB2 ))
3.700 1.700 1.700 peak 1114 spectrum 1 weight 0.10000E+01 volume 0.92991E-03 ppm1 1.181 ppm2 4.441 CV 1
OR { 1114}
(( segid "SAP" and resid 157 and name HB ))
(( segid "SAP" and resid 153 and name HB2 ))
ASSI { 1122}
(( segid "SAP" and resid 158 and name HG ))
(( segid "SAP" and resid 158 and name HB2 ))
2.500 0.800 0.800 peak 1122 spectrum 1 weight 0.10000E+01 volume 0.48252E-02 ppm1 1.199 ppm2 1.574 CV 1
OR { 1122}
(( segid "SAP" and resid 158 and name HG ))
(( segid "SAP" and resid 153 and name HB2 ))
OR { 1122}
(( segid "SAP" and resid 178 and name HB2 ))
(( segid "SAP" and resid 158 and name HB2 ))
ASSI { 1123}
( segid "SAP" and resid 158 and name HD1%)
(( segid "SAP" and resid 158 and name HB2 ))
2.500 0.800 0.800 peak 1123 spectrum 1 weight 0.10000E+01 volume 0.41861E-02 ppm1 1.188 ppm2 0.657 CV 1
OR { 1123}
( segid "SAP" and resid 158 and name HD2%)
(( segid "SAP" and resid 153 and name HB2 ))
OR { 1123}
( segid "SAP" and resid 158 and name HD2%)
(( segid "SAP" and resid 158 and name HB2 ))
ASSI { 1127}
(( segid "SAP" and resid 214 and name HD1 ))
(( segid "SAP" and resid 214 and name HE1 ))
1.800 0.400 0.400 peak 1127 spectrum 1 weight 0.10000E+01 volume 0.33233E-01 ppm1 2.932 ppm2 1.639 CV 1
OR { 1127}
(( segid "SAP" and resid 210 and name HD1 ))
(( segid "SAP" and resid 210 and name HE1 ))
OR { 1127}
(( segid "SAP" and resid 208 and name HD1 ))
(( segid "SAP" and resid 208 and name HE2 ))
OR { 1127}
(( segid "SAP" and resid 214 and name HD2 ))
(( segid "SAP" and resid 214 and name HE2 ))
OR { 1127}
(( segid "SAP" and resid 208 and name HD2 ))
(( segid "SAP" and resid 208 and name HE1 ))
OR { 1127}
(( segid "SAP" and resid 210 and name HD1 ))
(( segid "SAP" and resid 210 and name HE2 ))
OR { 1127}
(( segid "SAP" and resid 208 and name HD1 ))
(( segid "SAP" and resid 208 and name HE1 ))
OR { 1127}
(( segid "SAP" and resid 210 and name HD2 ))
(( segid "SAP" and resid 210 and name HE1 ))
OR { 1127}
(( segid "SAP" and resid 208 and name HD2 ))
(( segid "SAP" and resid 208 and name HE2 ))
OR { 1127}
(( segid "SAP" and resid 210 and name HD2 ))
(( segid "SAP" and resid 210 and name HE2 ))
OR { 1127}
(( segid "SAP" and resid 214 and name HD2 ))
(( segid "SAP" and resid 214 and name HE1 ))
OR { 1127}
(( segid "SAP" and resid 214 and name HD1 ))
(( segid "SAP" and resid 214 and name HE2 ))
ASSI { 1129}
(( segid "SAP" and resid 162 and name HA ))
(( segid "SAP" and resid 162 and name HE1 ))
2.800 1.000 1.000 peak 1129 spectrum 1 weight 0.10000E+01 volume 0.46974E-02 ppm1 2.933 ppm2 3.954 CV 1
OR { 1129}
(( segid "SAP" and resid 159 and name HA ))
(( segid "SAP" and resid 162 and name HE2 ))
OR { 1129}
(( segid "SAP" and resid 162 and name HA ))
(( segid "SAP" and resid 162 and name HE2 ))
OR { 1129}
(( segid "SAP" and resid 159 and name HA ))
(( segid "SAP" and resid 162 and name HE1 ))
OR { 1129}
(( segid "SAP" and resid 164 and name HA ))
(( segid "SAP" and resid 166 and name HE1 ))
ASSI { 1130}
(( segid "SAP" and resid 169 and name HB ))
(( segid "SAP" and resid 162 and name HE2 ))
3.100 1.200 1.200 peak 1130 spectrum 1 weight 0.10000E+01 volume 0.36749E-02 ppm1 2.935 ppm2 4.166 CV 1
OR { 1130}
(( segid "SAP" and resid 169 and name HB ))
(( segid "SAP" and resid 162 and name HE1 ))
OR { 1130}
(( segid "SAP" and resid 208 and name HA ))
(( segid "SAP" and resid 208 and name HE2 ))
OR { 1130}
(( segid "SAP" and resid 208 and name HA ))
(( segid "SAP" and resid 208 and name HE1 ))
ASSI { 1131}
(( segid "SAP" and resid 144 and name HA ))
(( segid "SAP" and resid 144 and name HB1 ))
2.400 0.700 0.700 peak 1131 spectrum 1 weight 0.10000E+01 volume 0.85002E-02 ppm1 2.639 ppm2 4.633 CV 1
OR { 1131}
(( segid "SAP" and resid 137 and name HA ))
(( segid "SAP" and resid 137 and name HB1 ))
OR { 1131}
(( segid "SAP" and resid 216 and name HA ))
(( segid "SAP" and resid 216 and name HB2 ))
OR { 1131}
(( segid "SAP" and resid 216 and name HA ))
(( segid "SAP" and resid 216 and name HB1 ))
ASSI { 1132}
(( segid "SAP" and resid 142 and name HA ))
(( segid "SAP" and resid 142 and name HB1 ))
2.100 0.600 0.600 peak 1132 spectrum 1 weight 0.10000E+01 volume 0.17096E-01 ppm1 2.681 ppm2 4.591 CV 1
OR { 1132}
(( segid "SAP" and resid 134 and name HA ))
(( segid "SAP" and resid 134 and name HB1 ))
OR { 1132}
(( segid "SAP" and resid 212 and name HA ))
(( segid "SAP" and resid 212 and name HB1 ))
OR { 1132}
(( segid "SAP" and resid 216 and name HA ))
(( segid "SAP" and resid 216 and name HB1 ))
ASSI { 1133}
(( segid "SAP" and resid 134 and name HA ))
(( segid "SAP" and resid 134 and name HB2 ))
2.400 0.700 0.700 peak 1133 spectrum 1 weight 0.10000E+01 volume 0.78612E-02 ppm1 2.597 ppm2 4.587 CV 1
OR { 1133}
(( segid "SAP" and resid 212 and name HA ))
(( segid "SAP" and resid 212 and name HB2 ))
OR { 1133}
(( segid "SAP" and resid 137 and name HA ))
(( segid "SAP" and resid 137 and name HB2 ))
ASSI { 1158}
(( segid "SAP" and resid 208 and name HB1 ))
(( segid "SAP" and resid 209 and name HB2 ))
3.500 1.500 1.500 peak 1158 spectrum 1 weight 0.10000E+01 volume 0.13294E-02 ppm1 2.664 ppm2 1.848 CV 1
OR { 1158}
(( segid "SAP" and resid 205 and name HB2 ))
(( segid "SAP" and resid 206 and name HB1 ))
OR { 1158}
(( segid "SAP" and resid 205 and name HB1 ))
(( segid "SAP" and resid 206 and name HB1 ))
OR { 1158}
(( segid "SAP" and resid 160 and name HG1 ))
(( segid "SAP" and resid 161 and name HB2 ))
OR { 1158}
(( segid "SAP" and resid 160 and name HG1 ))
(( segid "SAP" and resid 161 and name HB1 ))
OR { 1158}
(( segid "SAP" and resid 153 and name HB1 ))
(( segid "SAP" and resid 161 and name HB1 ))
OR { 1158}
(( segid "SAP" and resid 205 and name HG1 ))
(( segid "SAP" and resid 206 and name HB1 ))
ASSI { 1173}
(( segid "SAP" and resid 159 and name HG1 ))
(( segid "SAP" and resid 155 and name HA ))
4.300 2.300 1.700 peak 1173 spectrum 1 weight 0.10000E+01 volume 0.33233E-03 ppm1 3.618 ppm2 1.847 CV 1
OR { 1173}
(( segid "SAP" and resid 175 and name HB2 ))
(( segid "SAP" and resid 155 and name HA ))
OR { 1173}
(( segid "SAP" and resid 175 and name HB1 ))
(( segid "SAP" and resid 155 and name HA ))
ASSI { 1181}
(( segid "SAP" and resid 207 and name HB1 ))
(( segid "SAP" and resid 204 and name HA ))
4.200 2.200 1.800 peak 1181 spectrum 1 weight 0.10000E+01 volume 0.44098E-03 ppm1 3.564 ppm2 2.685 CV 1
OR { 1181}
(( segid "SAP" and resid 206 and name HB1 ))
(( segid "SAP" and resid 204 and name HA ))
ASSI { 1182}
(( segid "SAP" and resid 153 and name HA ))
(( segid "SAP" and resid 154 and name HG1 ))
3.400 1.500 1.500 peak 1182 spectrum 1 weight 0.10000E+01 volume 0.14124E-02 ppm1 2.600 ppm2 4.407 CV 1
OR { 1182}
(( segid "SAP" and resid 153 and name HA ))
(( segid "SAP" and resid 154 and name HG2 ))
OR { 1182}
(( segid "SAP" and resid 157 and name HB ))
(( segid "SAP" and resid 154 and name HG2 ))
OR { 1182}
(( segid "SAP" and resid 157 and name HB ))
(( segid "SAP" and resid 154 and name HG1 ))
ASSI { 1186}
(( segid "SAP" and resid 175 and name HE1 ))
(( segid "SAP" and resid 175 and name HB2 ))
3.900 1.900 1.900 peak 1186 spectrum 1 weight 0.10000E+01 volume 0.10833E-02 ppm1 1.835 ppm2 2.701 CV 1
OR { 1186}
(( segid "SAP" and resid 209 and name HB2 ))
(( segid "SAP" and resid 208 and name HB1 ))
OR { 1186}
(( segid "SAP" and resid 175 and name HE1 ))
(( segid "SAP" and resid 175 and name HB1 ))
ASSI { 1187}
(( segid "SAP" and resid 209 and name HB2 ))
(( segid "SAP" and resid 208 and name HB2 ))
3.500 1.500 1.500 peak 1187 spectrum 1 weight 0.10000E+01 volume 0.90749E-03 ppm1 1.737 ppm2 2.692 CV 1
OR { 1187}
(( segid "SAP" and resid 209 and name HB2 ))
(( segid "SAP" and resid 210 and name HB2 ))
OR { 1187}
(( segid "SAP" and resid 207 and name HB1 ))
(( segid "SAP" and resid 208 and name HB2 ))
OR { 1187}
(( segid "SAP" and resid 207 and name HB1 ))
(( segid "SAP" and resid 210 and name HB2 ))
ASSI { 1188}
(( segid "SAP" and resid 214 and name HG1 ))
(( segid "SAP" and resid 214 and name HB2 ))
2.100 0.500 0.500 peak 1188 spectrum 1 weight 0.10000E+01 volume 0.17415E-01 ppm1 1.732 ppm2 1.399 CV 1
OR { 1188}
(( segid "SAP" and resid 210 and name HG2 ))
(( segid "SAP" and resid 210 and name HB2 ))
OR { 1188}
(( segid "SAP" and resid 208 and name HG2 ))
(( segid "SAP" and resid 208 and name HB2 ))
OR { 1188}
(( segid "SAP" and resid 208 and name HG1 ))
(( segid "SAP" and resid 208 and name HB2 ))
OR { 1188}
(( segid "SAP" and resid 210 and name HG1 ))
(( segid "SAP" and resid 210 and name HB2 ))
ASSI { 1189}
(( segid "SAP" and resid 214 and name HG2 ))
(( segid "SAP" and resid 214 and name HB1 ))
2.000 0.500 0.500 peak 1189 spectrum 1 weight 0.10000E+01 volume 0.19365E-01 ppm1 1.825 ppm2 1.399 CV 1
OR { 1189}
(( segid "SAP" and resid 210 and name HG1 ))
(( segid "SAP" and resid 210 and name HB1 ))
OR { 1189}
(( segid "SAP" and resid 208 and name HG1 ))
(( segid "SAP" and resid 208 and name HB1 ))
OR { 1189}
(( segid "SAP" and resid 208 and name HG2 ))
(( segid "SAP" and resid 208 and name HB1 ))
OR { 1189}
(( segid "SAP" and resid 210 and name HG2 ))
(( segid "SAP" and resid 210 and name HB1 ))
ASSI { 1197}
(( segid "SAP" and resid 171 and name HD2 ))
(( segid "SAP" and resid 171 and name HA ))
3.300 1.400 1.400 peak 1197 spectrum 1 weight 0.10000E+01 volume 0.15594E-02 ppm1 4.494 ppm2 3.637 CV 1
OR { 1197}
(( segid "SAP" and resid 168 and name HD2 ))
(( segid "SAP" and resid 168 and name HA ))
ASSI { 1203}
(( segid "SAP" and resid 190 and name HA ))
(( segid "SAP" and resid 190 and name HB1 ))
2.100 0.600 0.600 peak 1203 spectrum 1 weight 0.10000E+01 volume 0.10609E-01 ppm1 2.151 ppm2 4.507 CV 1
OR { 1203}
(( segid "SAP" and resid 168 and name HA ))
(( segid "SAP" and resid 168 and name HB1 ))
ASSI { 1206}
(( segid "SAP" and resid 176 and name HA ))
(( segid "SAP" and resid 179 and name HB ))
2.300 0.600 0.600 peak 1206 spectrum 1 weight 0.10000E+01 volume 0.97146E-02 ppm1 1.932 ppm2 4.014 CV 1
OR { 1206}
(( segid "SAP" and resid 160 and name HA ))
(( segid "SAP" and resid 163 and name HB2 ))
OR { 1206}
(( segid "SAP" and resid 160 and name HA ))
(( segid "SAP" and resid 163 and name HB1 ))
ASSI { 1209}
(( segid "SAP" and resid 175 and name HA ))
(( segid "SAP" and resid 175 and name HB2 ))
2.500 0.800 0.800 peak 1209 spectrum 1 weight 0.10000E+01 volume 0.53045E-02 ppm1 1.869 ppm2 3.769 CV 1
OR { 1209}
(( segid "SAP" and resid 175 and name HA ))
(( segid "SAP" and resid 175 and name HB1 ))
OR { 1209}
(( segid "SAP" and resid 171 and name HD1 ))
(( segid "SAP" and resid 171 and name HB2 ))
ASSI { 1211}
(( segid "SAP" and resid 171 and name HD1 ))
(( segid "SAP" and resid 171 and name HB1 ))
3.100 1.200 1.200 peak 1211 spectrum 1 weight 0.10000E+01 volume 0.20419E-02 ppm1 2.267 ppm2 3.768 CV 1
OR { 1211}
(( segid "SAP" and resid 139 and name HD1 ))
(( segid "SAP" and resid 139 and name HB1 ))
ASSI { 1214}
(( segid "SAP" and resid 162 and name HD2 ))
(( segid "SAP" and resid 162 and name HB1 ))
2.600 0.900 0.900 peak 1214 spectrum 1 weight 0.10000E+01 volume 0.59117E-02 ppm1 2.093 ppm2 1.566 CV 1
OR { 1214}
(( segid "SAP" and resid 162 and name HD2 ))
(( segid "SAP" and resid 162 and name HB2 ))
OR { 1214}
(( segid "SAP" and resid 175 and name HD1 ))
(( segid "SAP" and resid 155 and name HB ))
ASSI { 1236}
(( segid "SAP" and resid 168 and name HB1 ))
(( segid "SAP" and resid 169 and name HA ))
4.400 2.400 1.600 peak 1236 spectrum 1 weight 0.10000E+01 volume 0.40902E-03 ppm1 4.498 ppm2 2.141 CV 1
OR { 1236}
(( segid "SAP" and resid 162 and name HB1 ))
(( segid "SAP" and resid 169 and name HA ))
ASSI { 1241}
(( segid "SAP" and resid 162 and name HB2 ))
(( segid "SAP" and resid 162 and name HA ))
2.200 0.600 0.600 peak 1241 spectrum 1 weight 0.10000E+01 volume 0.10481E-01 ppm1 3.947 ppm2 2.109 CV 1
OR { 1241}
(( segid "SAP" and resid 162 and name HB1 ))
(( segid "SAP" and resid 162 and name HA ))
OR { 1241}
(( segid "SAP" and resid 165 and name HB2 ))
(( segid "SAP" and resid 162 and name HA ))
OR { 1241}
(( segid "SAP" and resid 162 and name HB2 ))
(( segid "SAP" and resid 159 and name HA ))
ASSI { 1242}
(( segid "SAP" and resid 194 and name HD1 ))
(( segid "SAP" and resid 194 and name HA ))
2.200 0.600 0.600 peak 1242 spectrum 1 weight 0.10000E+01 volume 0.11408E-01 ppm1 3.946 ppm2 1.680 CV 1
OR { 1242}
(( segid "SAP" and resid 194 and name HD2 ))
(( segid "SAP" and resid 194 and name HA ))
OR { 1242}
(( segid "SAP" and resid 162 and name HD1 ))
(( segid "SAP" and resid 159 and name HA ))
ASSI { 1243}
(( segid "SAP" and resid 159 and name HG2 ))
(( segid "SAP" and resid 159 and name HA ))
2.200 0.600 0.600 peak 1243 spectrum 1 weight 0.10000E+01 volume 0.12143E-01 ppm1 3.946 ppm2 1.582 CV 1
OR { 1243}
(( segid "SAP" and resid 167 and name HG ))
(( segid "SAP" and resid 162 and name HA ))
OR { 1243}
(( segid "SAP" and resid 162 and name HD2 ))
(( segid "SAP" and resid 159 and name HA ))
ASSI { 1250}
(( segid "SAP" and resid 152 and name HA ))
(( segid "SAP" and resid 152 and name HB1 ))
2.200 0.600 0.600 peak 1250 spectrum 1 weight 0.10000E+01 volume 0.94269E-02 ppm1 2.123 ppm2 4.086 CV 1
OR { 1250}
(( segid "SAP" and resid 177 and name HA ))
(( segid "SAP" and resid 180 and name HB2 ))
ASSI { 1253}
(( segid "SAP" and resid 210 and name HE1 ))
(( segid "SAP" and resid 210 and name HD1 ))
2.200 0.600 0.600 peak 1253 spectrum 1 weight 0.10000E+01 volume 0.12111E-01 ppm1 1.601 ppm2 2.945 CV 1
OR { 1253}
(( segid "SAP" and resid 166 and name HE1 ))
(( segid "SAP" and resid 166 and name HD2 ))
OR { 1253}
(( segid "SAP" and resid 208 and name HE1 ))
(( segid "SAP" and resid 208 and name HD2 ))
OR { 1253}
(( segid "SAP" and resid 166 and name HE2 ))
(( segid "SAP" and resid 166 and name HD2 ))
OR { 1253}
(( segid "SAP" and resid 208 and name HE1 ))
(( segid "SAP" and resid 208 and name HD1 ))
OR { 1253}
(( segid "SAP" and resid 210 and name HE1 ))
(( segid "SAP" and resid 210 and name HD2 ))
OR { 1253}
(( segid "SAP" and resid 208 and name HE2 ))
(( segid "SAP" and resid 208 and name HD2 ))
OR { 1253}
(( segid "SAP" and resid 210 and name HE2 ))
(( segid "SAP" and resid 210 and name HD2 ))
ASSI { 1254}
( segid "SAP" and resid 178 and name HD2%)
(( segid "SAP" and resid 159 and name HG2 ))
3.100 1.200 1.200 peak 1254 spectrum 1 weight 0.10000E+01 volume 0.15466E-02 ppm1 1.567 ppm2 0.800 CV 1
OR { 1254}
( segid "SAP" and resid 178 and name HD1%)
(( segid "SAP" and resid 159 and name HG2 ))
OR { 1254}
( segid "SAP" and resid 178 and name HD1%)
(( segid "SAP" and resid 175 and name HD2 ))
ASSI { 1257}
( segid "SAP" and resid 179 and name HG1%)
(( segid "SAP" and resid 175 and name HD2 ))
4.200 2.200 1.800 peak 1257 spectrum 1 weight 0.10000E+01 volume 0.67425E-03 ppm1 1.547 ppm2 0.601 CV 1
OR { 1257}
( segid "SAP" and resid 158 and name HD2%)
(( segid "SAP" and resid 175 and name HD2 ))
OR { 1257}
( segid "SAP" and resid 158 and name HD2%)
(( segid "SAP" and resid 175 and name HD1 ))
ASSI { 1264}
(( segid "SAP" and resid 163 and name HA ))
(( segid "SAP" and resid 166 and name HD1 ))
3.400 1.500 1.500 peak 1264 spectrum 1 weight 0.10000E+01 volume 0.93626E-03 ppm1 1.697 ppm2 4.121 CV 1
OR { 1264}
(( segid "SAP" and resid 184 and name HA ))
(( segid "SAP" and resid 187 and name HD2 ))
OR { 1264}
(( segid "SAP" and resid 184 and name HA ))
(( segid "SAP" and resid 187 and name HD1 ))
ASSI { 1267}
(( segid "SAP" and resid 214 and name HE1 ))
(( segid "SAP" and resid 214 and name HD1 ))
2.200 0.600 0.600 peak 1267 spectrum 1 weight 0.10000E+01 volume 0.13038E-01 ppm1 1.686 ppm2 2.967 CV 1
OR { 1267}
(( segid "SAP" and resid 214 and name HE2 ))
(( segid "SAP" and resid 214 and name HD2 ))
OR { 1267}
(( segid "SAP" and resid 166 and name HE1 ))
(( segid "SAP" and resid 166 and name HD1 ))
OR { 1267}
(( segid "SAP" and resid 194 and name HE1 ))
(( segid "SAP" and resid 194 and name HD1 ))
OR { 1267}
(( segid "SAP" and resid 194 and name HE1 ))
(( segid "SAP" and resid 194 and name HD2 ))
OR { 1267}
(( segid "SAP" and resid 194 and name HE2 ))
(( segid "SAP" and resid 194 and name HD2 ))
OR { 1267}
(( segid "SAP" and resid 214 and name HE1 ))
(( segid "SAP" and resid 214 and name HD2 ))
OR { 1267}
(( segid "SAP" and resid 214 and name HE2 ))
(( segid "SAP" and resid 214 and name HD1 ))
ASSI { 1268}
(( segid "SAP" and resid 178 and name HA ))
(( segid "SAP" and resid 181 and name HG12))
5.100 3.300 0.900 peak 1268 spectrum 1 weight 0.10000E+01 volume 0.26651E-03 ppm1 1.306 ppm2 4.037 CV 1
OR { 1268}
(( segid "SAP" and resid 180 and name HA ))
(( segid "SAP" and resid 181 and name HG12))
ASSI { 1273}
(( segid "SAP" and resid 162 and name HG2 ))
(( segid "SAP" and resid 158 and name HA ))
4.000 2.000 2.000 peak 1273 spectrum 1 weight 0.10000E+01 volume 0.94269E-03 ppm1 3.931 ppm2 1.504 CV 1
OR { 1273}
(( segid "SAP" and resid 150 and name HB1 ))
(( segid "SAP" and resid 158 and name HA ))
ASSI { 1277}
(( segid "SAP" and resid 160 and name HG1 ))
(( segid "SAP" and resid 160 and name HA ))
1.900 0.500 0.500 peak 1277 spectrum 1 weight 0.10000E+01 volume 0.20036E-01 ppm1 4.001 ppm2 1.906 CV 1
OR { 1277}
(( segid "SAP" and resid 163 and name HB2 ))
(( segid "SAP" and resid 160 and name HA ))
OR { 1277}
(( segid "SAP" and resid 163 and name HB1 ))
(( segid "SAP" and resid 160 and name HA ))
ASSI { 1288}
(( segid "SAP" and resid 209 and name HA ))
(( segid "SAP" and resid 210 and name HD1 ))
3.900 1.900 1.900 peak 1288 spectrum 1 weight 0.10000E+01 volume 0.46974E-03 ppm1 1.620 ppm2 4.576 CV 1
OR { 1288}
(( segid "SAP" and resid 209 and name HA ))
(( segid "SAP" and resid 210 and name HD2 ))
OR { 1288}
(( segid "SAP" and resid 167 and name HA ))
(( segid "SAP" and resid 166 and name HD2 ))
OR { 1288}
(( segid "SAP" and resid 212 and name HA ))
(( segid "SAP" and resid 214 and name HD1 ))
OR { 1288}
(( segid "SAP" and resid 206 and name HA ))
(( segid "SAP" and resid 208 and name HD2 ))
OR { 1288}
(( segid "SAP" and resid 206 and name HA ))
(( segid "SAP" and resid 208 and name HD1 ))
OR { 1288}
(( segid "SAP" and resid 212 and name HA ))
(( segid "SAP" and resid 214 and name HD2 ))
ASSI { 1289}
(( segid "SAP" and resid 207 and name HB1 ))
(( segid "SAP" and resid 208 and name HD2 ))
3.200 1.300 1.300 peak 1289 spectrum 1 weight 0.10000E+01 volume 0.17415E-02 ppm1 1.628 ppm2 2.718 CV 1
OR { 1289}
(( segid "SAP" and resid 207 and name HB1 ))
(( segid "SAP" and resid 208 and name HD1 ))
OR { 1289}
(( segid "SAP" and resid 209 and name HB2 ))
(( segid "SAP" and resid 210 and name HD1 ))
OR { 1289}
(( segid "SAP" and resid 209 and name HB2 ))
(( segid "SAP" and resid 210 and name HD2 ))
OR { 1289}
(( segid "SAP" and resid 207 and name HB1 ))
(( segid "SAP" and resid 210 and name HD1 ))
OR { 1289}
(( segid "SAP" and resid 207 and name HB1 ))
(( segid "SAP" and resid 210 and name HD2 ))
ASSI { 1293}
(( segid "SAP" and resid 168 and name HA ))
(( segid "SAP" and resid 168 and name HG1 ))
3.400 1.400 1.400 peak 1293 spectrum 1 weight 0.10000E+01 volume 0.26107E-02 ppm1 2.125 ppm2 4.505 CV 1
OR { 1293}
(( segid "SAP" and resid 167 and name HA ))
(( segid "SAP" and resid 168 and name HG1 ))
ASSI { 1295}
(( segid "SAP" and resid 139 and name HA ))
(( segid "SAP" and resid 139 and name HG2 ))
3.000 1.200 1.200 peak 1295 spectrum 1 weight 0.10000E+01 volume 0.41861E-02 ppm1 1.977 ppm2 4.479 CV 1
OR { 1295}
(( segid "SAP" and resid 190 and name HA ))
(( segid "SAP" and resid 190 and name HG2 ))
OR { 1295}
(( segid "SAP" and resid 139 and name HA ))
(( segid "SAP" and resid 139 and name HG1 ))
OR { 1295}
(( segid "SAP" and resid 190 and name HA ))
(( segid "SAP" and resid 190 and name HG1 ))
ASSI { 1296}
(( segid "SAP" and resid 171 and name HA ))
(( segid "SAP" and resid 171 and name HG2 ))
2.900 1.100 1.100 peak 1296 spectrum 1 weight 0.10000E+01 volume 0.44737E-02 ppm1 2.037 ppm2 4.500 CV 1
OR { 1296}
(( segid "SAP" and resid 171 and name HA ))
(( segid "SAP" and resid 171 and name HG1 ))
OR { 1296}
(( segid "SAP" and resid 168 and name HA ))
(( segid "SAP" and resid 168 and name HG2 ))
ASSI { 1310}
( segid "SAP" and resid 178 and name HD1%)
(( segid "SAP" and resid 178 and name HG ))
2.200 0.600 0.600 peak 1310 spectrum 1 weight 0.10000E+01 volume 0.90435E-02 ppm1 1.548 ppm2 0.798 CV 1
OR { 1310}
( segid "SAP" and resid 178 and name HD2%)
(( segid "SAP" and resid 178 and name HG ))
OR { 1310}
( segid "SAP" and resid 213 and name HD2%)
(( segid "SAP" and resid 213 and name HG ))
ASSI { 1313}
(( segid "SAP" and resid 178 and name HA ))
( segid "SAP" and resid 158 and name HD1%)
4.700 2.800 1.300 peak 1313 spectrum 1 weight 0.10000E+01 volume 0.34511E-03 ppm1 0.679 ppm2 4.014 CV 1
OR { 1313}
(( segid "SAP" and resid 176 and name HA ))
( segid "SAP" and resid 158 and name HD1%)
ASSI { 1315}
(( segid "SAP" and resid 153 and name HB1 ))
( segid "SAP" and resid 158 and name HD1%)
3.700 1.700 1.700 peak 1315 spectrum 1 weight 0.10000E+01 volume 0.13933E-02 ppm1 0.679 ppm2 1.901 CV 1
OR { 1315}
(( segid "SAP" and resid 179 and name HB ))
( segid "SAP" and resid 158 and name HD1%)
ASSI { 1316}
(( segid "SAP" and resid 178 and name HB2 ))
( segid "SAP" and resid 158 and name HD1%)
2.200 0.600 0.600 peak 1316 spectrum 1 weight 0.10000E+01 volume 0.65508E-02 ppm1 0.683 ppm2 1.557 CV 1
OR { 1316}
(( segid "SAP" and resid 158 and name HG ))
( segid "SAP" and resid 158 and name HD1%)
OR { 1316}
(( segid "SAP" and resid 175 and name HD2 ))
( segid "SAP" and resid 158 and name HD1%)
ASSI { 1317}
(( segid "SAP" and resid 158 and name HB2 ))
( segid "SAP" and resid 158 and name HD1%)
2.400 0.700 0.700 peak 1317 spectrum 1 weight 0.10000E+01 volume 0.47613E-02 ppm1 0.684 ppm2 1.193 CV 1
OR { 1317}
(( segid "SAP" and resid 153 and name HB2 ))
( segid "SAP" and resid 158 and name HD1%)
ASSI { 1319}
( segid "SAP" and resid 155 and name HG1%)
( segid "SAP" and resid 158 and name HD1%)
3.200 1.300 1.300 peak 1319 spectrum 1 weight 0.10000E+01 volume 0.31156E-02 ppm1 0.684 ppm2 1.047 CV 1
OR { 1319}
(( segid "SAP" and resid 175 and name HG2 ))
( segid "SAP" and resid 158 and name HD1%)
ASSI { 1323}
(( segid "SAP" and resid 153 and name HB2 ))
( segid "SAP" and resid 158 and name HD2%)
2.400 0.700 0.700 peak 1323 spectrum 1 weight 0.10000E+01 volume 0.69982E-02 ppm1 0.644 ppm2 1.193 CV 1
OR { 1323}
(( segid "SAP" and resid 158 and name HB2 ))
( segid "SAP" and resid 158 and name HD2%)
ASSI { 1326}
(( segid "SAP" and resid 157 and name HB ))
( segid "SAP" and resid 158 and name HD2%)
4.000 2.000 2.000 peak 1326 spectrum 1 weight 0.10000E+01 volume 0.78291E-03 ppm1 0.646 ppm2 4.435 CV 1
OR { 1326}
(( segid "SAP" and resid 153 and name HA ))
( segid "SAP" and resid 158 and name HD2%)
ASSI { 1327}
(( segid "SAP" and resid 150 and name HA ))
( segid "SAP" and resid 158 and name HD2%)
3.100 1.200 1.200 peak 1327 spectrum 1 weight 0.10000E+01 volume 0.26171E-02 ppm1 0.642 ppm2 3.810 CV 1
OR { 1327}
(( segid "SAP" and resid 151 and name HA ))
( segid "SAP" and resid 158 and name HD2%)
ASSI { 1328}
(( segid "SAP" and resid 178 and name HA ))
( segid "SAP" and resid 158 and name HD2%)
3.100 3.100 2.900 peak 1328 spectrum 1 weight 0.10000E+01 volume 0.31444E-02 ppm1 0.644 ppm2 4.021 CV 1
OR { 1328}
(( segid "SAP" and resid 176 and name HA ))
( segid "SAP" and resid 158 and name HD2%)
ASSI { 1329}
(( segid "SAP" and resid 155 and name HA ))
(( segid "SAP" and resid 158 and name HG ))
3.900 1.900 1.900 peak 1329 spectrum 1 weight 0.10000E+01 volume 0.54963E-03 ppm1 1.549 ppm2 3.630 CV 1
OR { 1329}
(( segid "SAP" and resid 155 and name HA ))
(( segid "SAP" and resid 178 and name HG ))
ASSI { 1331}
(( segid "SAP" and resid 139 and name HD1 ))
(( segid "SAP" and resid 138 and name HA ))
2.400 0.700 0.700 peak 1331 spectrum 1 weight 0.10000E+01 volume 0.68384E-02 ppm1 4.719 ppm2 3.771 CV 1
OR { 1331}
(( segid "SAP" and resid 138 and name HB2 ))
(( segid "SAP" and resid 138 and name HA ))
ASSI { 1332}
(( segid "SAP" and resid 159 and name HA ))
( segid "SAP" and resid 173 and name HD1%)
3.700 1.700 1.700 peak 1332 spectrum 1 weight 0.10000E+01 volume 0.10289E-02 ppm1 0.847 ppm2 3.947 CV 1
OR { 1332}
(( segid "SAP" and resid 172 and name HA1 ))
( segid "SAP" and resid 173 and name HD1%)
ASSI { 1333}
(( segid "SAP" and resid 159 and name HD1 ))
( segid "SAP" and resid 173 and name HD1%)
3.700 1.700 1.700 peak 1333 spectrum 1 weight 0.10000E+01 volume 0.57519E-03 ppm1 0.851 ppm2 3.163 CV 1
OR { 1333}
(( segid "SAP" and resid 159 and name HD2 ))
( segid "SAP" and resid 173 and name HD1%)
OR { 1333}
(( segid "SAP" and resid 170 and name HD1 ))
( segid "SAP" and resid 173 and name HD1%)
ASSI { 1338}
( segid "SAP" and resid 158 and name HD2%)
( segid "SAP" and resid 150 and name HD1%)
2.900 1.000 1.000 peak 1338 spectrum 1 weight 0.10000E+01 volume 0.40583E-02 ppm1 0.442 ppm2 0.666 CV 1
OR { 1338}
( segid "SAP" and resid 148 and name HG2%)
( segid "SAP" and resid 150 and name HD1%)
ASSI { 1344}
(( segid "SAP" and resid 181 and name HB ))
( segid "SAP" and resid 167 and name HD1%)
3.700 1.800 1.800 peak 1344 spectrum 1 weight 0.10000E+01 volume 0.85323E-03 ppm1 0.873 ppm2 1.931 CV 1
OR { 1344}
(( segid "SAP" and resid 163 and name HB2 ))
( segid "SAP" and resid 167 and name HD1%)
ASSI { 1353}
(( segid "SAP" and resid 158 and name HB1 ))
( segid "SAP" and resid 178 and name HD2%)
2.900 1.100 1.100 peak 1353 spectrum 1 weight 0.10000E+01 volume 0.34192E-02 ppm1 0.793 ppm2 2.084 CV 1
OR { 1353}
(( segid "SAP" and resid 162 and name HB2 ))
( segid "SAP" and resid 178 and name HD2%)
ASSI { 1354}
(( segid "SAP" and resid 178 and name HB1 ))
( segid "SAP" and resid 178 and name HD2%)
2.200 0.600 0.600 peak 1354 spectrum 1 weight 0.10000E+01 volume 0.83403E-02 ppm1 0.793 ppm2 1.770 CV 1
OR { 1354}
(( segid "SAP" and resid 173 and name HB1 ))
( segid "SAP" and resid 178 and name HD2%)
ASSI { 1355}
(( segid "SAP" and resid 178 and name HG ))
( segid "SAP" and resid 178 and name HD2%)
2.000 0.500 0.500 peak 1355 spectrum 1 weight 0.10000E+01 volume 0.18949E-01 ppm1 0.792 ppm2 1.570 CV 1
OR { 1355}
(( segid "SAP" and resid 162 and name HD2 ))
( segid "SAP" and resid 178 and name HD2%)
OR { 1355}
(( segid "SAP" and resid 178 and name HB2 ))
( segid "SAP" and resid 178 and name HD2%)
ASSI { 1356}
(( segid "SAP" and resid 159 and name HG1 ))
( segid "SAP" and resid 178 and name HD2%)
2.600 0.800 0.800 peak 1356 spectrum 1 weight 0.10000E+01 volume 0.67425E-02 ppm1 0.793 ppm2 1.904 CV 1
OR { 1356}
(( segid "SAP" and resid 159 and name HB1 ))
( segid "SAP" and resid 178 and name HD2%)
OR { 1356}
(( segid "SAP" and resid 181 and name HB ))
( segid "SAP" and resid 178 and name HD2%)
OR { 1356}
(( segid "SAP" and resid 159 and name HB2 ))
( segid "SAP" and resid 178 and name HD2%)
ASSI { 1358}
( segid "SAP" and resid 169 and name HG2%)
( segid "SAP" and resid 178 and name HD2%)
2.800 1.000 1.000 peak 1358 spectrum 1 weight 0.10000E+01 volume 0.55922E-02 ppm1 0.793 ppm2 1.050 CV 1
OR { 1358}
( segid "SAP" and resid 155 and name HG1%)
( segid "SAP" and resid 178 and name HD2%)
ASSI { 1359}
(( segid "SAP" and resid 154 and name HG2 ))
( segid "SAP" and resid 153 and name HD2%)
4.300 2.300 1.700 peak 1359 spectrum 1 weight 0.10000E+01 volume 0.43139E-03 ppm1 0.759 ppm2 2.613 CV 1
OR { 1359}
(( segid "SAP" and resid 154 and name HG1 ))
( segid "SAP" and resid 153 and name HD2%)
OR { 1359}
(( segid "SAP" and resid 177 and name HG1 ))
( segid "SAP" and resid 178 and name HD2%)
ASSI { 1360}
(( segid "SAP" and resid 153 and name HB1 ))
( segid "SAP" and resid 153 and name HD2%)
2.400 0.700 0.700 peak 1360 spectrum 1 weight 0.10000E+01 volume 0.56561E-02 ppm1 0.753 ppm2 1.876 CV 1
OR { 1360}
(( segid "SAP" and resid 159 and name HG1 ))
( segid "SAP" and resid 178 and name HD2%)
ASSI { 1361}
( segid "SAP" and resid 157 and name HG2%)
( segid "SAP" and resid 153 and name HD2%)
2.400 0.700 0.700 peak 1361 spectrum 1 weight 0.10000E+01 volume 0.66786E-02 ppm1 0.754 ppm2 1.451 CV 1
OR { 1361}
(( segid "SAP" and resid 173 and name HB2 ))
( segid "SAP" and resid 178 and name HD2%)
ASSI { 1362}
(( segid "SAP" and resid 153 and name HG ))
( segid "SAP" and resid 153 and name HD2%)
2.100 0.600 0.600 peak 1362 spectrum 1 weight 0.10000E+01 volume 0.88836E-02 ppm1 0.753 ppm2 1.626 CV 1
OR { 1362}
(( segid "SAP" and resid 162 and name HD2 ))
( segid "SAP" and resid 178 and name HD2%)
ASSI { 1363}
(( segid "SAP" and resid 153 and name HB2 ))
( segid "SAP" and resid 153 and name HD2%)
2.900 1.100 1.100 peak 1363 spectrum 1 weight 0.10000E+01 volume 0.49530E-02 ppm1 0.753 ppm2 1.204 CV 1
OR { 1363}
(( segid "SAP" and resid 158 and name HB2 ))
( segid "SAP" and resid 178 and name HD2%)
ASSI { 1364}
(( segid "SAP" and resid 194 and name HE1 ))
(( segid "SAP" and resid 194 and name HG1 ))
2.600 0.900 0.900 peak 1364 spectrum 1 weight 0.10000E+01 volume 0.44418E-02 ppm1 1.483 ppm2 2.958 CV 1
OR { 1364}
(( segid "SAP" and resid 162 and name HE1 ))
(( segid "SAP" and resid 162 and name HG2 ))
OR { 1364}
(( segid "SAP" and resid 194 and name HE2 ))
(( segid "SAP" and resid 194 and name HG1 ))
ASSI { 1365}
(( segid "SAP" and resid 194 and name HE1 ))
(( segid "SAP" and resid 194 and name HG2 ))
2.500 0.800 0.800 peak 1365 spectrum 1 weight 0.10000E+01 volume 0.65189E-02 ppm1 1.410 ppm2 2.956 CV 1
OR { 1365}
(( segid "SAP" and resid 208 and name HE1 ))
(( segid "SAP" and resid 208 and name HG1 ))
OR { 1365}
(( segid "SAP" and resid 214 and name HE2 ))
(( segid "SAP" and resid 214 and name HG1 ))
OR { 1365}
(( segid "SAP" and resid 210 and name HE2 ))
(( segid "SAP" and resid 210 and name HG2 ))
OR { 1365}
(( segid "SAP" and resid 208 and name HE2 ))
(( segid "SAP" and resid 208 and name HG1 ))
OR { 1365}
(( segid "SAP" and resid 194 and name HE2 ))
(( segid "SAP" and resid 194 and name HG2 ))
OR { 1365}
(( segid "SAP" and resid 214 and name HE2 ))
(( segid "SAP" and resid 214 and name HG2 ))
OR { 1365}
(( segid "SAP" and resid 214 and name HE1 ))
(( segid "SAP" and resid 214 and name HG2 ))
OR { 1365}
(( segid "SAP" and resid 210 and name HE2 ))
(( segid "SAP" and resid 210 and name HG1 ))
OR { 1365}
(( segid "SAP" and resid 214 and name HE1 ))
(( segid "SAP" and resid 214 and name HG1 ))
ASSI { 1366}
(( segid "SAP" and resid 214 and name HE2 ))
(( segid "SAP" and resid 214 and name HG1 ))
2.700 0.900 0.900 peak 1366 spectrum 1 weight 0.10000E+01 volume 0.45376E-02 ppm1 1.368 ppm2 2.941 CV 1
OR { 1366}
(( segid "SAP" and resid 208 and name HE1 ))
(( segid "SAP" and resid 208 and name HG2 ))
OR { 1366}
(( segid "SAP" and resid 210 and name HE2 ))
(( segid "SAP" and resid 210 and name HG2 ))
OR { 1366}
(( segid "SAP" and resid 208 and name HE2 ))
(( segid "SAP" and resid 208 and name HG2 ))
OR { 1366}
(( segid "SAP" and resid 214 and name HE2 ))
(( segid "SAP" and resid 214 and name HG2 ))
OR { 1366}
(( segid "SAP" and resid 214 and name HE1 ))
(( segid "SAP" and resid 214 and name HG2 ))
OR { 1366}
(( segid "SAP" and resid 210 and name HE2 ))
(( segid "SAP" and resid 210 and name HG1 ))
OR { 1366}
(( segid "SAP" and resid 214 and name HE1 ))
(( segid "SAP" and resid 214 and name HG1 ))
ASSI { 1367}
(( segid "SAP" and resid 194 and name HD2 ))
(( segid "SAP" and resid 194 and name HG1 ))
1.900 0.500 0.500 peak 1367 spectrum 1 weight 0.10000E+01 volume 0.28472E-01 ppm1 1.484 ppm2 1.686 CV 1
OR { 1367}
(( segid "SAP" and resid 162 and name HD1 ))
(( segid "SAP" and resid 162 and name HG2 ))
OR { 1367}
(( segid "SAP" and resid 194 and name HD1 ))
(( segid "SAP" and resid 194 and name HG1 ))
ASSI { 1370}
(( segid "SAP" and resid 214 and name HB1 ))
(( segid "SAP" and resid 214 and name HG2 ))
2.000 0.500 0.500 peak 1370 spectrum 1 weight 0.10000E+01 volume 0.23966E-01 ppm1 1.412 ppm2 1.826 CV 1
OR { 1370}
(( segid "SAP" and resid 210 and name HB1 ))
(( segid "SAP" and resid 210 and name HG1 ))
OR { 1370}
(( segid "SAP" and resid 208 and name HB1 ))
(( segid "SAP" and resid 208 and name HG1 ))
OR { 1370}
(( segid "SAP" and resid 210 and name HB1 ))
(( segid "SAP" and resid 210 and name HG2 ))
ASSI { 1371}
(( segid "SAP" and resid 208 and name HD2 ))
(( segid "SAP" and resid 208 and name HG1 ))
1.600 0.300 0.600 peak 1371 spectrum 1 weight 0.10000E+01 volume 0.85002E-01 ppm1 1.413 ppm2 1.637 CV 1
OR { 1371}
(( segid "SAP" and resid 210 and name HD2 ))
(( segid "SAP" and resid 210 and name HG1 ))
OR { 1371}
(( segid "SAP" and resid 214 and name HD1 ))
(( segid "SAP" and resid 214 and name HG2 ))
OR { 1371}
(( segid "SAP" and resid 214 and name HD2 ))
(( segid "SAP" and resid 214 and name HG1 ))
OR { 1371}
(( segid "SAP" and resid 210 and name HD1 ))
(( segid "SAP" and resid 210 and name HG2 ))
OR { 1371}
(( segid "SAP" and resid 214 and name HD2 ))
(( segid "SAP" and resid 214 and name HG2 ))
OR { 1371}
(( segid "SAP" and resid 214 and name HD1 ))
(( segid "SAP" and resid 214 and name HG1 ))
OR { 1371}
(( segid "SAP" and resid 210 and name HD2 ))
(( segid "SAP" and resid 210 and name HG2 ))
ASSI { 1372}
(( segid "SAP" and resid 208 and name HD1 ))
(( segid "SAP" and resid 208 and name HG2 ))
1.600 0.300 0.600 peak 1372 spectrum 1 weight 0.10000E+01 volume 0.70301E-01 ppm1 1.366 ppm2 1.631 CV 1
OR { 1372}
(( segid "SAP" and resid 210 and name HD2 ))
(( segid "SAP" and resid 210 and name HG1 ))
OR { 1372}
(( segid "SAP" and resid 214 and name HD1 ))
(( segid "SAP" and resid 214 and name HG2 ))
OR { 1372}
(( segid "SAP" and resid 214 and name HD2 ))
(( segid "SAP" and resid 214 and name HG1 ))
OR { 1372}
(( segid "SAP" and resid 210 and name HD1 ))
(( segid "SAP" and resid 210 and name HG2 ))
OR { 1372}
(( segid "SAP" and resid 214 and name HD2 ))
(( segid "SAP" and resid 214 and name HG2 ))
OR { 1372}
(( segid "SAP" and resid 214 and name HD1 ))
(( segid "SAP" and resid 214 and name HG1 ))
OR { 1372}
(( segid "SAP" and resid 210 and name HD2 ))
(( segid "SAP" and resid 210 and name HG2 ))
ASSI { 1377}
(( segid "SAP" and resid 176 and name HA ))
( segid "SAP" and resid 179 and name HG1%)
2.900 1.100 1.100 peak 1377 spectrum 1 weight 0.10000E+01 volume 0.36749E-02 ppm1 0.589 ppm2 4.031 CV 1
OR { 1377}
(( segid "SAP" and resid 196 and name HB ))
( segid "SAP" and resid 197 and name HD1%)
OR { 1377}
(( segid "SAP" and resid 180 and name HA ))
( segid "SAP" and resid 179 and name HG1%)
ASSI { 1378}
(( segid "SAP" and resid 151 and name HA ))
( segid "SAP" and resid 179 and name HG1%)
2.700 0.900 0.900 peak 1378 spectrum 1 weight 0.10000E+01 volume 0.68703E-02 ppm1 0.592 ppm2 3.831 CV 1
OR { 1378}
(( segid "SAP" and resid 197 and name HA ))
( segid "SAP" and resid 197 and name HD1%)
ASSI { 1386}
(( segid "SAP" and resid 197 and name HG ))
( segid "SAP" and resid 197 and name HD1%)
2.300 0.700 0.700 peak 1386 spectrum 1 weight 0.10000E+01 volume 0.93947E-02 ppm1 0.594 ppm2 1.445 CV 1
OR { 1386}
(( segid "SAP" and resid 150 and name HB1 ))
( segid "SAP" and resid 179 and name HG1%)
ASSI { 1388}
( segid "SAP" and resid 201 and name HD1%)
( segid "SAP" and resid 197 and name HD1%)
2.700 0.900 0.900 peak 1388 spectrum 1 weight 0.10000E+01 volume 0.67425E-02 ppm1 0.591 ppm2 1.043 CV 1
OR { 1388}
( segid "SAP" and resid 196 and name HG2%)
( segid "SAP" and resid 197 and name HD1%)
ASSI { 1389}
(( segid "SAP" and resid 175 and name HD2 ))
( segid "SAP" and resid 179 and name HG1%)
3.000 1.100 1.100 peak 1389 spectrum 1 weight 0.10000E+01 volume 0.59756E-02 ppm1 0.591 ppm2 1.556 CV 1
OR { 1389}
(( segid "SAP" and resid 178 and name HB2 ))
( segid "SAP" and resid 179 and name HG1%)
OR { 1389}
(( segid "SAP" and resid 158 and name HG ))
( segid "SAP" and resid 179 and name HG1%)
ASSI { 1391}
( segid "SAP" and resid 143 and name HG2%)
(( segid "SAP" and resid 144 and name HA ))
3.700 1.700 1.700 peak 1391 spectrum 1 weight 0.10000E+01 volume 0.77648E-03 ppm1 4.601 ppm2 0.900 CV 1
OR { 1391}
( segid "SAP" and resid 140 and name HG2%)
(( segid "SAP" and resid 142 and name HA ))
OR { 1391}
( segid "SAP" and resid 140 and name HG1%)
(( segid "SAP" and resid 142 and name HA ))
ASSI { 1393}
(( segid "SAP" and resid 159 and name HA ))
( segid "SAP" and resid 178 and name HD1%)
3.200 1.300 1.300 peak 1393 spectrum 1 weight 0.10000E+01 volume 0.21570E-02 ppm1 0.817 ppm2 3.943 CV 1
OR { 1393}
(( segid "SAP" and resid 158 and name HA ))
( segid "SAP" and resid 178 and name HD1%)
ASSI { 1403}
(( segid "SAP" and resid 206 and name HB1 ))
(( segid "SAP" and resid 206 and name HA ))
2.100 0.500 0.500 peak 1403 spectrum 1 weight 0.10000E+01 volume 0.15849E-01 ppm1 4.594 ppm2 2.669 CV 1
OR { 1403}
(( segid "SAP" and resid 209 and name HB2 ))
(( segid "SAP" and resid 209 and name HA ))
ASSI { 1405}
(( segid "SAP" and resid 205 and name HB2 ))
(( segid "SAP" and resid 206 and name HA ))
3.400 1.500 1.500 peak 1405 spectrum 1 weight 0.10000E+01 volume 0.12558E-02 ppm1 4.589 ppm2 1.826 CV 1
OR { 1405}
(( segid "SAP" and resid 205 and name HB1 ))
(( segid "SAP" and resid 206 and name HA ))
OR { 1405}
(( segid "SAP" and resid 208 and name HB1 ))
(( segid "SAP" and resid 209 and name HA ))
OR { 1405}
(( segid "SAP" and resid 210 and name HB1 ))
(( segid "SAP" and resid 209 and name HA ))
ASSI { 1406}
(( segid "SAP" and resid 210 and name HB2 ))
(( segid "SAP" and resid 209 and name HA ))
4.200 2.200 1.800 peak 1406 spectrum 1 weight 0.10000E+01 volume 0.40902E-03 ppm1 4.592 ppm2 1.735 CV 1
OR { 1406}
(( segid "SAP" and resid 208 and name HB2 ))
(( segid "SAP" and resid 209 and name HA ))
ASSI { 1410}
(( segid "SAP" and resid 186 and name HA ))
( segid "SAP" and resid 182 and name HG1%)
3.300 1.400 1.400 peak 1410 spectrum 1 weight 0.10000E+01 volume 0.20643E-02 ppm1 0.724 ppm2 4.078 CV 1
OR { 1410}
(( segid "SAP" and resid 178 and name HA ))
( segid "SAP" and resid 173 and name HD2%)
OR { 1410}
(( segid "SAP" and resid 177 and name HA ))
( segid "SAP" and resid 173 and name HD2%)
ASSI { 1412}
(( segid "SAP" and resid 162 and name HE2 ))
( segid "SAP" and resid 173 and name HD2%)
4.000 2.000 2.000 peak 1412 spectrum 1 weight 0.10000E+01 volume 0.56880E-03 ppm1 0.725 ppm2 2.936 CV 1
OR { 1412}
(( segid "SAP" and resid 162 and name HE1 ))
( segid "SAP" and resid 173 and name HD2%)
OR { 1412}
(( segid "SAP" and resid 174 and name HB2 ))
( segid "SAP" and resid 173 and name HD2%)
ASSI { 1416}
(( segid "SAP" and resid 199 and name HB2 ))
( segid "SAP" and resid 196 and name HG2%)
3.400 1.500 1.500 peak 1416 spectrum 1 weight 0.10000E+01 volume 0.12590E-02 ppm1 1.044 ppm2 2.900 CV 1
OR { 1416}
(( segid "SAP" and resid 156 and name HB1 ))
( segid "SAP" and resid 155 and name HG1%)
ASSI { 1417}
(( segid "SAP" and resid 177 and name HB1 ))
( segid "SAP" and resid 155 and name HG1%)
3.200 3.200 2.800 peak 1417 spectrum 1 weight 0.10000E+01 volume 0.15818E-02 ppm1 1.042 ppm2 2.266 CV 1
OR { 1417}
(( segid "SAP" and resid 160 and name HB1 ))
( segid "SAP" and resid 155 and name HG1%)
ASSI { 1425}
(( segid "SAP" and resid 161 and name HB1 ))
( segid "SAP" and resid 182 and name HG1%)
3.300 1.300 1.300 peak 1425 spectrum 1 weight 0.10000E+01 volume 0.12878E-02 ppm1 0.758 ppm2 2.656 CV 1
OR { 1425}
(( segid "SAP" and resid 177 and name HG1 ))
( segid "SAP" and resid 173 and name HD2%)
OR { 1425}
(( segid "SAP" and resid 161 and name HB2 ))
( segid "SAP" and resid 182 and name HG1%)
ASSI { 1440}
(( segid "SAP" and resid 147 and name HG2 ))
( segid "SAP" and resid 145 and name HG2%)
3.200 3.200 2.800 peak 1440 spectrum 1 weight 0.10000E+01 volume 0.12495E-02 ppm1 1.215 ppm2 2.196 CV 1
OR { 1440}
(( segid "SAP" and resid 201 and name HG11))
( segid "SAP" and resid 198 and name HG2%)
ASSI { 1444}
(( segid "SAP" and resid 178 and name HA ))
( segid "SAP" and resid 169 and name HG2%)
3.300 1.400 1.400 peak 1444 spectrum 1 weight 0.10000E+01 volume 0.16042E-02 ppm1 1.071 ppm2 4.042 CV 1
OR { 1444}
(( segid "SAP" and resid 168 and name HD1 ))
( segid "SAP" and resid 169 and name HG2%)
ASSI { 1446}
(( segid "SAP" and resid 162 and name HG2 ))
( segid "SAP" and resid 169 and name HG2%)
3.500 1.600 1.600 peak 1446 spectrum 1 weight 0.10000E+01 volume 0.20675E-02 ppm1 1.069 ppm2 1.495 CV 1
OR { 1446}
(( segid "SAP" and resid 173 and name HB2 ))
( segid "SAP" and resid 169 and name HG2%)
ASSI { 1461}
(( segid "SAP" and resid 186 and name HB2 ))
( segid "SAP" and resid 182 and name HG2%)
3.500 1.500 1.500 peak 1461 spectrum 1 weight 0.10000E+01 volume 0.47294E-03 ppm1 -0.191 ppm2 3.007 CV 1
OR { 1461}
(( segid "SAP" and resid 151 and name HB2 ))
( segid "SAP" and resid 182 and name HG2%)
ASSI { 1464}
(( segid "SAP" and resid 177 and name HG2 ))
( segid "SAP" and resid 176 and name HB% )
3.400 1.500 1.500 peak 1464 spectrum 1 weight 0.10000E+01 volume 0.84680E-03 ppm1 1.512 ppm2 2.398 CV 1
OR { 1464}
(( segid "SAP" and resid 180 and name HG1 ))
( segid "SAP" and resid 176 and name HB% )
ASSI { 1467}
(( segid "SAP" and resid 145 and name HA ))
( segid "SAP" and resid 143 and name HG2%)
4.500 2.500 1.500 peak 1467 spectrum 1 weight 0.10000E+01 volume 0.36109E-03 ppm1 0.892 ppm2 4.618 CV 1
OR { 1467}
(( segid "SAP" and resid 144 and name HA ))
( segid "SAP" and resid 143 and name HG2%)
ASSI { 1477}
(( segid "SAP" and resid 146 and name HD2 ))
(( segid "SAP" and resid 146 and name HD1 ))
1.400 0.200 0.800 peak 1477 spectrum 1 weight 0.10000E+01 volume 0.78926E-01 ppm1 3.765 ppm2 3.678 CV 1
OR { 1477}
(( segid "SAP" and resid 139 and name HD2 ))
(( segid "SAP" and resid 139 and name HD1 ))
ASSI { 25}
( segid "SAP" and resid 191 and name HG2%)
(( segid "PAH3" and resid 482 and name HG2 ))
3.400 1.400 1.400 peak 25 spectrum 1 weight 0.10000E+01 volume 0.37146E-02 ppm1 2.061 ppm2 0.679 CV 1
OR { 25}
( segid "SAP" and resid 189 and name HD1%)
(( segid "PAH3" and resid 490 and name HB ))
ASSI { 44}
( segid "SAP" and resid 191 and name HG2%)
(( segid "PAH3" and resid 486 and name HA ))
2.800 1.000 1.000 peak 44 spectrum 1 weight 0.10000E+01 volume 0.37893E-02 ppm1 3.505 ppm2 0.678 CV 1
OR { 44}
( segid "SAP" and resid 189 and name HD1%)
(( segid "PAH3" and resid 486 and name HA ))
ASSI { 57}
( segid "SAP" and resid 191 and name HG1%)
( segid "PAH3" and resid 489 and name HG1%)
2.900 1.100 1.100 peak 57 spectrum 1 weight 0.10000E+01 volume 0.75869E-02 ppm1 1.111 ppm2 0.746 CV 1
OR { 57}
( segid "SAP" and resid 189 and name HG2%)
( segid "PAH3" and resid 489 and name HG1%)
ASSI { 59}
( segid "SAP" and resid 189 and name HG2%)
( segid "PAH3" and resid 489 and name HG2%)
2.400 0.700 0.700 peak 59 spectrum 1 weight 0.10000E+01 volume 0.93073E-02 ppm1 1.008 ppm2 0.714 CV 1
OR { 59}
( segid "SAP" and resid 189 and name HD1%)
( segid "PAH3" and resid 489 and name HG2%)
OR { 59}
( segid "SAP" and resid 191 and name HG2%)
( segid "PAH3" and resid 489 and name HG2%)
ASSI { 62}
( segid "SAP" and resid 161 and name HD% )
( segid "PAH3" and resid 490 and name HD1%)
2.600 0.900 0.900 peak 62 spectrum 1 weight 0.10000E+01 volume 0.64485E-02 ppm1 1.063 ppm2 6.727 CV 1
OR { 62}
( segid "SAP" and resid 165 and name HE% )
( segid "PAH3" and resid 490 and name HD1%)
ASSI { 64}
( segid "SAP" and resid 165 and name HE% )
( segid "PAH3" and resid 490 and name HG2%)
2.300 0.700 0.700 peak 64 spectrum 1 weight 0.10000E+01 volume 0.71133E-02 ppm1 1.332 ppm2 6.722 CV 1
OR { 64}
( segid "SAP" and resid 161 and name HD% )
( segid "PAH3" and resid 490 and name HG2%)
ASSI { 74}
( segid "SAP" and resid 165 and name HE% )
( segid "PAH3" and resid 495 and name HG2%)
3.100 1.200 1.200 peak 74 spectrum 1 weight 0.10000E+01 volume 0.19944E-02 ppm1 0.273 ppm2 6.733 CV 1
OR { 74}
( segid "SAP" and resid 161 and name HD% )
( segid "PAH3" and resid 495 and name HG2%)
ASSI { 83}
( segid "SAP" and resid 148 and name HG2%)
( segid "PAH3" and resid 504 and name HD1%)
3.300 1.300 1.300 peak 83 spectrum 1 weight 0.10000E+01 volume 0.37727E-02 ppm1 0.819 ppm2 0.670 CV 1
OR { 83}
( segid "SAP" and resid 158 and name HD2%)
( segid "PAH3" and resid 504 and name HD1%)
ASSI { 103}
(( segid "SAP" and resid 204 and name HA ))
( segid "PAH3" and resid 523 and name HD1%)
4.900 3.000 1.100 peak 103 spectrum 1 weight 0.10000E+01 volume 0.66729E-03 ppm1 0.487 ppm2 3.607 CV 1
OR { 103}
(( segid "SAP" and resid 200 and name HB1 ))
( segid "PAH3" and resid 523 and name HD1%)
ASSI { 112}
( segid "SAP" and resid 189 and name HG2%)
(( segid "PAH3" and resid 489 and name HB ))
3.700 1.700 1.700 peak 112 spectrum 1 weight 0.10000E+01 volume 0.21440E-02 ppm1 2.419 ppm2 0.716 CV 1
OR { 112}
( segid "SAP" and resid 189 and name HD1%)
(( segid "PAH3" and resid 489 and name HB ))
OR { 112}
( segid "SAP" and resid 191 and name HG2%)
(( segid "PAH3" and resid 489 and name HB ))
ASSI { 135}
(( segid "SAP" and resid 150 and name HB1 ))
( segid "PAH3" and resid 504 and name HD2%)
4.700 2.800 1.300 peak 135 spectrum 1 weight 0.10000E+01 volume 0.70800E-03 ppm1 0.735 ppm2 1.459 CV 1
OR { 135}
( segid "SAP" and resid 157 and name HG2%)
( segid "PAH3" and resid 504 and name HD2%)
ASSI { 138}
(( segid "SAP" and resid 152 and name HN ))
( segid "PAH3" and resid 504 and name HD2%)
3.800 1.800 1.800 peak 138 spectrum 1 weight 0.10000E+01 volume 0.12880E-02 ppm1 0.718 ppm2 7.113 CV 1
OR { 138}
( segid "SAP" and resid 186 and name HE% )
( segid "PAH3" and resid 504 and name HD2%)
ASSI { 140}
(( segid "SAP" and resid 149 and name HN ))
( segid "PAH3" and resid 504 and name HD2%)
4.600 2.700 1.400 peak 140 spectrum 1 weight 0.10000E+01 volume 0.51854E-03 ppm1 0.723 ppm2 9.129 CV 1
OR { 140}
(( segid "SAP" and resid 154 and name HN ))
( segid "PAH3" and resid 504 and name HD2%)
ASSI { 146}
(( segid "SAP" and resid 197 and name HN ))
( segid "PAH3" and resid 485 and name HD1%)
4.200 2.200 1.800 peak 146 spectrum 1 weight 0.10000E+01 volume 0.82020E-03 ppm1 0.532 ppm2 8.500 CV 1
OR { 146}
(( segid "SAP" and resid 192 and name HN ))
( segid "PAH3" and resid 485 and name HD1%)
ASSI { 158}
( segid "SAP" and resid 189 and name HD1%)
(( segid "PAH3" and resid 486 and name HD2 ))
3.300 1.400 1.400 peak 158 spectrum 1 weight 0.10000E+01 volume 0.21024E-02 ppm1 2.758 ppm2 0.729 CV 1
OR { 158}
( segid "SAP" and resid 189 and name HD1%)
(( segid "PAH3" and resid 486 and name HD1 ))
OR { 158}
( segid "SAP" and resid 189 and name HG2%)
(( segid "PAH3" and resid 486 and name HD2 ))
OR { 158}
( segid "SAP" and resid 189 and name HG2%)
(( segid "PAH3" and resid 486 and name HD1 ))
OR { 158}
( segid "SAP" and resid 191 and name HG1%)
(( segid "PAH3" and resid 486 and name HD1 ))
ASSI { 164}
( segid "SAP" and resid 189 and name HD1%)
( segid "PAH3" and resid 490 and name HD1%)
3.400 1.500 1.500 peak 164 spectrum 1 weight 0.10000E+01 volume 0.27838E-02 ppm1 1.066 ppm2 0.714 CV 1
OR { 164}
( segid "SAP" and resid 153 and name HD2%)
( segid "PAH3" and resid 490 and name HD1%)
OR { 164}
( segid "SAP" and resid 189 and name HG2%)
( segid "PAH3" and resid 490 and name HD1%)
ASSI { 172}
(( segid "SAP" and resid 163 and name HB2 ))
( segid "PAH3" and resid 495 and name HG1%)
4.200 2.200 1.800 peak 172 spectrum 1 weight 0.10000E+01 volume 0.10387E-02 ppm1 0.928 ppm2 1.912 CV 1
OR { 172}
(( segid "SAP" and resid 153 and name HB1 ))
( segid "PAH3" and resid 495 and name HG1%)
OR { 172}
(( segid "SAP" and resid 163 and name HB1 ))
( segid "PAH3" and resid 495 and name HG1%)
OR { 172}
(( segid "SAP" and resid 159 and name HB2 ))
( segid "PAH3" and resid 495 and name HG1%)
ASSI { 175}
( segid "SAP" and resid 197 and name HD2%)
( segid "PAH3" and resid 488 and name HD2%)
4.600 2.600 1.400 peak 175 spectrum 1 weight 0.10000E+01 volume 0.56756E-03 ppm1 0.029 ppm2 -0.019 CV 1
OR { 175}
( segid "SAP" and resid 204 and name HG2%)
( segid "PAH3" and resid 488 and name HD2%)
ASSI { 176}
(( segid "SAP" and resid 160 and name HB2 ))
( segid "PAH3" and resid 495 and name HG1%)
5.000 3.200 1.000 peak 176 spectrum 1 weight 0.10000E+01 volume 0.58834E-03 ppm1 0.923 ppm2 2.131 CV 1
OR { 176}
(( segid "SAP" and resid 162 and name HB2 ))
( segid "PAH3" and resid 495 and name HG1%)
ASSI { 185}
(( segid "SAP" and resid 146 and name HB1 ))
(( segid "PAH3" and resid 507 and name HG2 ))
4.500 2.500 1.500 peak 185 spectrum 1 weight 0.10000E+01 volume 0.63155E-03 ppm1 1.944 ppm2 1.778 CV 1
OR { 185}
(( segid "SAP" and resid 146 and name HB1 ))
(( segid "PAH3" and resid 507 and name HG1 ))
OR { 185}
(( segid "SAP" and resid 147 and name HB2 ))
(( segid "PAH3" and resid 507 and name HG2 ))
ASSI { 188}
(( segid "SAP" and resid 146 and name HG1 ))
(( segid "PAH3" and resid 511 and name HE2 ))
4.400 2.500 1.600 peak 188 spectrum 1 weight 0.10000E+01 volume 0.41467E-03 ppm1 2.872 ppm2 1.901 CV 1
OR { 188}
(( segid "SAP" and resid 146 and name HG1 ))
(( segid "PAH3" and resid 511 and name HE1 ))
OR { 188}
(( segid "SAP" and resid 143 and name HB ))
(( segid "PAH3" and resid 511 and name HE1 ))
OR { 188}
(( segid "SAP" and resid 146 and name HG2 ))
(( segid "PAH3" and resid 511 and name HE2 ))
OR { 188}
(( segid "SAP" and resid 143 and name HB ))
(( segid "PAH3" and resid 511 and name HE2 ))
ASSI { 189}
( segid "SAP" and resid 189 and name HD1%)
(( segid "PAH3" and resid 486 and name HB2 ))
4.100 2.100 1.900 peak 189 spectrum 1 weight 0.10000E+01 volume 0.98887E-03 ppm1 0.936 ppm2 0.723 CV 1
OR { 189}
( segid "SAP" and resid 189 and name HG2%)
(( segid "PAH3" and resid 486 and name HB2 ))
OR { 189}
( segid "SAP" and resid 191 and name HG1%)
(( segid "PAH3" and resid 486 and name HB2 ))
ASSI { 190}
( segid "SAP" and resid 191 and name HG2%)
(( segid "PAH3" and resid 486 and name HB1 ))
3.100 1.200 1.200 peak 190 spectrum 1 weight 0.10000E+01 volume 0.25179E-02 ppm1 1.750 ppm2 0.696 CV 1
OR { 190}
( segid "SAP" and resid 189 and name HD1%)
(( segid "PAH3" and resid 486 and name HB1 ))
OR { 190}
( segid "SAP" and resid 189 and name HG2%)
(( segid "PAH3" and resid 486 and name HB1 ))
ASSI { 193}
( segid "SAP" and resid 191 and name HG1%)
(( segid "PAH3" and resid 486 and name HA ))
3.000 1.100 1.100 peak 193 spectrum 1 weight 0.10000E+01 volume 0.34985E-02 ppm1 3.504 ppm2 0.745 CV 1
OR { 193}
( segid "SAP" and resid 189 and name HG2%)
(( segid "PAH3" and resid 486 and name HA ))
ASSI { 196}
( segid "SAP" and resid 186 and name HD% )
( segid "PAH3" and resid 490 and name HD1%)
3.200 1.300 1.300 peak 196 spectrum 1 weight 0.10000E+01 volume 0.38308E-02 ppm1 1.061 ppm2 7.242 CV 1
OR { 196}
( segid "SAP" and resid 161 and name HE% )
( segid "PAH3" and resid 490 and name HD1%)
ASSI { 101}
(( segid "PAH3" and resid 522 and name HZ ))
( segid "SAP" and resid 201 and name HG2%)
3.000 1.100 1.100 peak 101 spectrum 1 weight 0.10000E+01 volume 0.18365E-02 ppm1 7.244 ppm2 1.036 CV 1
OR { 101}
( segid "PAH3" and resid 508 and name HD% )
(( segid "SAP" and resid 146 and name HB2 ))
ASSI { 168}
( segid "SAP" and resid 191 and name HG2%)
(( segid "PAH3" and resid 486 and name HE ))
3.900 1.900 1.900 peak 168 spectrum 1 weight 0.10000E+01 volume 0.13545E-02 ppm1 7.446 ppm2 0.680 CV 1
OR { 168}
( segid "SAP" and resid 189 and name HD1%)
(( segid "PAH3" and resid 486 and name HE ))
ASSI { 195}
( segid "SAP" and resid 189 and name HG2%)
(( segid "PAH3" and resid 486 and name HE ))
3.400 1.400 1.400 peak 195 spectrum 1 weight 0.10000E+01 volume 0.17949E-02 ppm1 7.448 ppm2 0.743 CV 1
OR { 195}
( segid "SAP" and resid 191 and name HG1%)
(( segid "PAH3" and resid 486 and name HE ))
ASSI { 32}
( segid "PAH3" and resid 478 and name HB% )
(( segid "PAH3" and resid 478 and name HA ))
2.000 0.500 0.500 peak 32 spectrum 1 weight 0.10000E+01 volume 0.24279E-01 ppm1 4.212 ppm2 1.519 CV 1
OR { 32}
(( segid "PAH3" and resid 526 and name HB2 ))
(( segid "PAH3" and resid 526 and name HA ))
ASSI { 45}
(( segid "PAH3" and resid 498 and name HA ))
( segid "PAH3" and resid 523 and name HD2%)
3.800 1.800 1.800 peak 45 spectrum 1 weight 0.10000E+01 volume 0.54285E-03 ppm1 0.350 ppm2 4.021 CV 1
OR { 45}
(( segid "PAH3" and resid 499 and name HA ))
( segid "PAH3" and resid 523 and name HD2%)
ASSI { 50}
(( segid "PAH3" and resid 498 and name HB2 ))
( segid "PAH3" and resid 523 and name HD1%)
4.200 2.200 1.800 peak 50 spectrum 1 weight 0.10000E+01 volume 0.57836E-03 ppm1 0.494 ppm2 1.830 CV 1
OR { 50}
(( segid "PAH3" and resid 520 and name HB2 ))
( segid "PAH3" and resid 523 and name HD1%)
ASSI { 52}
(( segid "PAH3" and resid 498 and name HG1 ))
( segid "PAH3" and resid 523 and name HD1%)
3.900 1.900 1.900 peak 52 spectrum 1 weight 0.10000E+01 volume 0.68708E-03 ppm1 0.493 ppm2 2.253 CV 1
OR { 52}
(( segid "PAH3" and resid 501 and name HB1 ))
( segid "PAH3" and resid 523 and name HD1%)
ASSI { 76}
(( segid "PAH3" and resid 465 and name HA ))
(( segid "PAH3" and resid 468 and name HB2 ))
2.600 0.800 0.800 peak 76 spectrum 1 weight 0.10000E+01 volume 0.39862E-02 ppm1 3.017 ppm2 4.326 CV 1
OR { 76}
(( segid "PAH3" and resid 514 and name HA ))
(( segid "PAH3" and resid 517 and name HB1 ))
ASSI { 87}
(( segid "PAH3" and resid 515 and name HB2 ))
( segid "PAH3" and resid 515 and name HD2%)
2.500 0.800 0.800 peak 87 spectrum 1 weight 0.10000E+01 volume 0.52473E-02 ppm1 0.447 ppm2 1.519 CV 1
OR { 87}
(( segid "PAH3" and resid 470 and name HB2 ))
( segid "PAH3" and resid 515 and name HD2%)
ASSI { 88}
(( segid "PAH3" and resid 470 and name HB1 ))
( segid "PAH3" and resid 515 and name HD2%)
2.900 1.100 1.100 peak 88 spectrum 1 weight 0.10000E+01 volume 0.31237E-02 ppm1 0.446 ppm2 1.786 CV 1
OR { 88}
(( segid "PAH3" and resid 471 and name HB ))
( segid "PAH3" and resid 515 and name HD2%)
ASSI { 96}
(( segid "PAH3" and resid 470 and name HB2 ))
( segid "PAH3" and resid 515 and name HD1%)
2.200 0.600 0.600 peak 96 spectrum 1 weight 0.10000E+01 volume 0.10799E-01 ppm1 0.720 ppm2 1.521 CV 1
OR { 96}
(( segid "PAH3" and resid 470 and name HD1 ))
( segid "PAH3" and resid 515 and name HD1%)
OR { 96}
(( segid "PAH3" and resid 515 and name HB2 ))
( segid "PAH3" and resid 515 and name HD1%)
ASSI { 101}
( segid "PAH3" and resid 515 and name HD2%)
(( segid "PAH3" and resid 515 and name HB1 ))
2.700 0.900 0.900 peak 101 spectrum 1 weight 0.10000E+01 volume 0.26961E-02 ppm1 2.312 ppm2 0.451 CV 1
OR { 101}
( segid "PAH3" and resid 509 and name HD2%)
(( segid "PAH3" and resid 515 and name HB1 ))
ASSI { 122}
(( segid "PAH3" and resid 513 and name HA ))
(( segid "PAH3" and resid 513 and name HG2 ))
3.800 1.800 1.800 peak 122 spectrum 1 weight 0.10000E+01 volume 0.10002E-02 ppm1 2.070 ppm2 4.322 CV 1
OR { 122}
(( segid "PAH3" and resid 514 and name HA ))
(( segid "PAH3" and resid 513 and name HG2 ))
ASSI { 166}
(( segid "PAH3" and resid 516 and name HA ))
( segid "PAH3" and resid 509 and name HD2%)
3.800 1.800 1.800 peak 166 spectrum 1 weight 0.10000E+01 volume 0.37616E-03 ppm1 0.488 ppm2 4.883 CV 1
OR { 166}
(( segid "PAH3" and resid 505 and name HA ))
( segid "PAH3" and resid 509 and name HD2%)
ASSI { 198}
( segid "PAH3" and resid 461 and name HG2%)
( segid "PAH3" and resid 463 and name HG2%)
3.100 1.200 1.200 peak 198 spectrum 1 weight 0.10000E+01 volume 0.31310E-02 ppm1 1.298 ppm2 0.945 CV 1
OR { 198}
( segid "PAH3" and resid 466 and name HD1%)
( segid "PAH3" and resid 463 and name HG2%)
OR { 198}
( segid "PAH3" and resid 461 and name HG1%)
( segid "PAH3" and resid 463 and name HG2%)
ASSI { 209}
(( segid "PAH3" and resid 475 and name HA ))
(( segid "PAH3" and resid 475 and name HB1 ))
2.500 0.800 0.800 peak 209 spectrum 1 weight 0.10000E+01 volume 0.58779E-02 ppm1 1.750 ppm2 4.144 CV 1
OR { 209}
(( segid "PAH3" and resid 466 and name HA ))
(( segid "PAH3" and resid 466 and name HB1 ))
ASSI { 213}
(( segid "PAH3" and resid 463 and name HB ))
( segid "PAH3" and resid 466 and name HD1%)
4.000 2.000 2.000 peak 213 spectrum 1 weight 0.10000E+01 volume 0.65011E-03 ppm1 0.942 ppm2 4.454 CV 1
OR { 213}
(( segid "PAH3" and resid 509 and name HA ))
(( segid "PAH3" and resid 511 and name HG1 ))
ASSI { 214}
(( segid "PAH3" and resid 463 and name HA ))
( segid "PAH3" and resid 466 and name HD1%)
3.600 1.600 1.600 peak 214 spectrum 1 weight 0.10000E+01 volume 0.17394E-02 ppm1 0.941 ppm2 4.298 CV 1
OR { 214}
(( segid "PAH3" and resid 469 and name HA ))
( segid "PAH3" and resid 466 and name HD1%)
ASSI { 220}
(( segid "PAH3" and resid 463 and name HB ))
( segid "PAH3" and resid 466 and name HD2%)
4.000 2.000 2.000 peak 220 spectrum 1 weight 0.10000E+01 volume 0.49066E-03 ppm1 0.882 ppm2 4.455 CV 1
OR { 220}
(( segid "PAH3" and resid 491 and name HA ))
( segid "PAH3" and resid 501 and name HD1%)
ASSI { 225}
(( segid "PAH3" and resid 501 and name HG ))
( segid "PAH3" and resid 501 and name HD1%)
2.000 0.500 0.500 peak 225 spectrum 1 weight 0.10000E+01 volume 0.17032E-01 ppm1 0.885 ppm2 1.612 CV 1
OR { 225}
(( segid "PAH3" and resid 466 and name HG ))
( segid "PAH3" and resid 466 and name HD2%)
OR { 225}
(( segid "PAH3" and resid 466 and name HB2 ))
( segid "PAH3" and resid 466 and name HD2%)
ASSI { 226}
( segid "PAH3" and resid 463 and name HG2%)
( segid "PAH3" and resid 466 and name HD2%)
3.500 1.500 1.500 peak 226 spectrum 1 weight 0.10000E+01 volume 0.13335E-02 ppm1 0.885 ppm2 1.296 CV 1
OR { 226}
(( segid "PAH3" and resid 470 and name HG2 ))
( segid "PAH3" and resid 466 and name HD2%)
ASSI { 229}
(( segid "PAH3" and resid 486 and name HB1 ))
(( segid "PAH3" and resid 486 and name HA ))
2.600 0.900 0.900 peak 229 spectrum 1 weight 0.10000E+01 volume 0.36673E-02 ppm1 3.528 ppm2 1.791 CV 1
OR { 229}
(( segid "PAH3" and resid 470 and name HB1 ))
(( segid "PAH3" and resid 467 and name HA ))
ASSI { 259}
(( segid "PAH3" and resid 472 and name HA ))
( segid "PAH3" and resid 471 and name HG1%)
3.500 1.500 1.500 peak 259 spectrum 1 weight 0.10000E+01 volume 0.96391E-03 ppm1 0.206 ppm2 3.108 CV 1
OR { 259}
(( segid "PAH3" and resid 508 and name HB1 ))
( segid "PAH3" and resid 471 and name HG1%)
ASSI { 260}
(( segid "PAH3" and resid 481 and name HB2 ))
( segid "PAH3" and resid 471 and name HG1%)
4.000 2.000 2.000 peak 260 spectrum 1 weight 0.10000E+01 volume 0.71389E-03 ppm1 0.203 ppm2 2.977 CV 1
OR { 260}
(( segid "PAH3" and resid 508 and name HB2 ))
( segid "PAH3" and resid 471 and name HG1%)
ASSI { 262}
(( segid "PAH3" and resid 475 and name HB2 ))
( segid "PAH3" and resid 471 and name HG1%)
3.800 1.800 1.800 peak 262 spectrum 1 weight 0.10000E+01 volume 0.62909E-03 ppm1 0.202 ppm2 1.507 CV 1
OR { 262}
(( segid "PAH3" and resid 470 and name HB2 ))
( segid "PAH3" and resid 471 and name HG1%)
ASSI { 265}
( segid "PAH3" and resid 509 and name HD2%)
( segid "PAH3" and resid 471 and name HG1%)
2.500 0.800 0.800 peak 265 spectrum 1 weight 0.10000E+01 volume 0.57619E-02 ppm1 0.203 ppm2 0.479 CV 1
OR { 265}
( segid "PAH3" and resid 515 and name HD2%)
( segid "PAH3" and resid 471 and name HG1%)
ASSI { 271}
(( segid "PAH3" and resid 470 and name HB2 ))
( segid "PAH3" and resid 471 and name HG2%)
3.500 1.600 1.600 peak 271 spectrum 1 weight 0.10000E+01 volume 0.11596E-02 ppm1 -0.011 ppm2 1.512 CV 1
OR { 271}
(( segid "PAH3" and resid 515 and name HB2 ))
( segid "PAH3" and resid 471 and name HG2%)
OR { 271}
(( segid "PAH3" and resid 470 and name HG1 ))
( segid "PAH3" and resid 471 and name HG2%)
ASSI { 274}
( segid "PAH3" and resid 515 and name HD2%)
( segid "PAH3" and resid 471 and name HG2%)
2.200 0.600 0.600 peak 274 spectrum 1 weight 0.10000E+01 volume 0.88425E-02 ppm1 -0.015 ppm2 0.464 CV 1
OR { 274}
( segid "PAH3" and resid 509 and name HD2%)
( segid "PAH3" and resid 471 and name HG2%)
ASSI { 323}
(( segid "PAH3" and resid 475 and name HA ))
( segid "PAH3" and resid 475 and name HD2%)
2.700 0.900 0.900 peak 323 spectrum 1 weight 0.10000E+01 volume 0.34716E-02 ppm1 0.677 ppm2 4.132 CV 1
OR { 323}
(( segid "PAH3" and resid 481 and name HA ))
( segid "PAH3" and resid 475 and name HD2%)
ASSI { 329}
(( segid "PAH3" and resid 487 and name HB1 ))
( segid "PAH3" and resid 505 and name HG2%)
4.100 2.100 1.900 peak 329 spectrum 1 weight 0.10000E+01 volume 0.71824E-03 ppm1 1.044 ppm2 3.297 CV 1
OR { 329}
(( segid "PAH3" and resid 487 and name HB1 ))
( segid "PAH3" and resid 489 and name HG2%)
ASSI { 353}
(( segid "PAH3" and resid 475 and name HB2 ))
(( segid "PAH3" and resid 477 and name HB1 ))
3.600 1.600 1.600 peak 353 spectrum 1 weight 0.10000E+01 volume 0.22540E-02 ppm1 4.223 ppm2 1.533 CV 1
OR { 353}
( segid "PAH3" and resid 478 and name HB% )
(( segid "PAH3" and resid 477 and name HB1 ))
ASSI { 359}
(( segid "PAH3" and resid 482 and name HB2 ))
(( segid "PAH3" and resid 479 and name HA ))
2.300 0.700 0.700 peak 359 spectrum 1 weight 0.10000E+01 volume 0.10074E-01 ppm1 4.078 ppm2 1.942 CV 1
OR { 359}
(( segid "PAH3" and resid 479 and name HB2 ))
(( segid "PAH3" and resid 479 and name HA ))
ASSI { 368}
( segid "PAH3" and resid 478 and name HB% )
(( segid "PAH3" and resid 479 and name HG2 ))
3.700 1.800 1.800 peak 368 spectrum 1 weight 0.10000E+01 volume 0.75376E-03 ppm1 2.351 ppm2 1.509 CV 1
OR { 368}
( segid "PAH3" and resid 478 and name HB% )
(( segid "PAH3" and resid 479 and name HG1 ))
OR { 368}
(( segid "PAH3" and resid 515 and name HB2 ))
(( segid "PAH3" and resid 514 and name HG2 ))
ASSI { 370}
(( segid "PAH3" and resid 483 and name HB1 ))
(( segid "PAH3" and resid 480 and name HA ))
3.000 1.100 1.100 peak 370 spectrum 1 weight 0.10000E+01 volume 0.14495E-02 ppm1 4.482 ppm2 3.103 CV 1
OR { 370}
(( segid "PAH3" and resid 512 and name HB2 ))
(( segid "PAH3" and resid 509 and name HA ))
ASSI { 375}
(( segid "PAH3" and resid 481 and name HA ))
( segid "PAH3" and resid 480 and name HB% )
3.700 1.700 1.700 peak 375 spectrum 1 weight 0.10000E+01 volume 0.10147E-02 ppm1 1.659 ppm2 4.112 CV 1
OR { 375}
(( segid "PAH3" and resid 475 and name HA ))
( segid "PAH3" and resid 480 and name HB% )
ASSI { 393}
(( segid "PAH3" and resid 482 and name HG1 ))
(( segid "PAH3" and resid 482 and name HB1 ))
2.200 0.600 0.600 peak 393 spectrum 1 weight 0.10000E+01 volume 0.15075E-01 ppm1 2.166 ppm2 2.470 CV 1
OR { 393}
(( segid "PAH3" and resid 514 and name HG1 ))
(( segid "PAH3" and resid 514 and name HB2 ))
OR { 393}
(( segid "PAH3" and resid 514 and name HG1 ))
(( segid "PAH3" and resid 514 and name HB1 ))
ASSI { 401}
(( segid "PAH3" and resid 495 and name HB ))
(( segid "PAH3" and resid 490 and name HB ))
1.900 0.500 0.500 peak 401 spectrum 1 weight 0.10000E+01 volume 0.18192E-01 ppm1 2.071 ppm2 1.942 CV 1
OR { 401}
(( segid "PAH3" and resid 482 and name HB2 ))
(( segid "PAH3" and resid 482 and name HG2 ))
ASSI { 420}
(( segid "PAH3" and resid 506 and name HA ))
( segid "PAH3" and resid 505 and name HG1%)
3.800 1.800 1.800 peak 420 spectrum 1 weight 0.10000E+01 volume 0.58489E-03 ppm1 1.101 ppm2 3.839 CV 1
OR { 420}
(( segid "PAH3" and resid 507 and name HD1 ))
( segid "PAH3" and resid 505 and name HG1%)
ASSI { 423}
( segid "PAH3" and resid 488 and name HD1%)
( segid "PAH3" and resid 485 and name HD1%)
2.500 0.800 0.800 peak 423 spectrum 1 weight 0.10000E+01 volume 0.84800E-02 ppm1 0.545 ppm2 0.215 CV 1
OR { 423}
( segid "PAH3" and resid 471 and name HG1%)
( segid "PAH3" and resid 485 and name HD1%)
ASSI { 424}
(( segid "PAH3" and resid 482 and name HA ))
( segid "PAH3" and resid 485 and name HD2%)
3.800 1.800 1.800 peak 424 spectrum 1 weight 0.10000E+01 volume 0.15293E-02 ppm1 0.463 ppm2 3.650 CV 1
OR { 424}
(( segid "PAH3" and resid 484 and name HA ))
( segid "PAH3" and resid 485 and name HD2%)
ASSI { 440}
(( segid "PAH3" and resid 487 and name HA ))
( segid "PAH3" and resid 504 and name HD2%)
3.900 1.900 1.900 peak 440 spectrum 1 weight 0.10000E+01 volume 0.71679E-03 ppm1 0.733 ppm2 4.107 CV 1
OR { 440}
(( segid "PAH3" and resid 503 and name HA ))
( segid "PAH3" and resid 504 and name HD2%)
ASSI { 452}
(( segid "PAH3" and resid 487 and name HB2 ))
( segid "PAH3" and resid 504 and name HD1%)
4.100 2.100 1.900 peak 452 spectrum 1 weight 0.10000E+01 volume 0.76826E-03 ppm1 0.829 ppm2 2.216 CV 1
OR { 452}
(( segid "PAH3" and resid 501 and name HB1 ))
( segid "PAH3" and resid 504 and name HD1%)
ASSI { 516}
( segid "PAH3" and resid 495 and name HG1%)
(( segid "PAH3" and resid 495 and name HB ))
2.400 0.700 0.700 peak 516 spectrum 1 weight 0.10000E+01 volume 0.40804E-02 ppm1 1.944 ppm2 0.939 CV 1
OR { 516}
(( segid "PAH3" and resid 520 and name HG2 ))
(( segid "PAH3" and resid 520 and name HB1 ))
ASSI { 519}
(( segid "PAH3" and resid 498 and name HG2 ))
( segid "PAH3" and resid 502 and name HG2%)
3.300 1.300 1.300 peak 519 spectrum 1 weight 0.10000E+01 volume 0.12611E-02 ppm1 0.612 ppm2 1.763 CV 1
OR { 519}
(( segid "PAH3" and resid 500 and name HB2 ))
( segid "PAH3" and resid 502 and name HG2%)
ASSI { 527}
(( segid "PAH3" and resid 523 and name HB1 ))
( segid "PAH3" and resid 502 and name HG1%)
4.100 2.100 1.900 peak 527 spectrum 1 weight 0.10000E+01 volume 0.62257E-03 ppm1 0.718 ppm2 1.579 CV 1
OR { 527}
(( segid "PAH3" and resid 501 and name HG ))
( segid "PAH3" and resid 502 and name HG1%)
OR { 527}
( segid "PAH3" and resid 499 and name HB% )
( segid "PAH3" and resid 502 and name HG1%)
ASSI { 543}
(( segid "PAH3" and resid 496 and name HG11))
( segid "PAH3" and resid 496 and name HG2%)
3.900 1.900 1.900 peak 543 spectrum 1 weight 0.10000E+01 volume 0.99291E-03 ppm1 0.815 ppm2 1.769 CV 1
OR { 543}
(( segid "PAH3" and resid 500 and name HB2 ))
( segid "PAH3" and resid 496 and name HG2%)
ASSI { 546}
(( segid "PAH3" and resid 496 and name HB ))
( segid "PAH3" and resid 496 and name HD1%)
2.800 1.000 1.000 peak 546 spectrum 1 weight 0.10000E+01 volume 0.26164E-02 ppm1 0.977 ppm2 2.283 CV 1
OR { 546}
(( segid "PAH3" and resid 501 and name HB1 ))
( segid "PAH3" and resid 496 and name HD1%)
ASSI { 562}
(( segid "PAH3" and resid 500 and name HG1 ))
(( segid "PAH3" and resid 500 and name HA ))
2.800 1.000 1.000 peak 562 spectrum 1 weight 0.10000E+01 volume 0.37616E-02 ppm1 4.005 ppm2 2.464 CV 1
OR { 562}
(( segid "PAH3" and resid 503 and name HG2 ))
(( segid "PAH3" and resid 500 and name HA ))
OR { 562}
(( segid "PAH3" and resid 503 and name HG1 ))
(( segid "PAH3" and resid 500 and name HA ))
ASSI { 563}
(( segid "PAH3" and resid 501 and name HB1 ))
(( segid "PAH3" and resid 501 and name HA ))
2.500 0.800 0.800 peak 563 spectrum 1 weight 0.10000E+01 volume 0.88425E-02 ppm1 4.006 ppm2 2.272 CV 1
OR { 563}
(( segid "PAH3" and resid 503 and name HB1 ))
(( segid "PAH3" and resid 500 and name HA ))
OR { 563}
(( segid "PAH3" and resid 500 and name HG2 ))
(( segid "PAH3" and resid 500 and name HA ))
ASSI { 567}
(( segid "PAH3" and resid 487 and name HB2 ))
( segid "PAH3" and resid 501 and name HD1%)
2.900 1.000 1.000 peak 567 spectrum 1 weight 0.10000E+01 volume 0.39427E-02 ppm1 0.895 ppm2 2.232 CV 1
OR { 567}
(( segid "PAH3" and resid 501 and name HB1 ))
( segid "PAH3" and resid 501 and name HD1%)
ASSI { 641}
(( segid "PAH3" and resid 484 and name HB1 ))
(( segid "PAH3" and resid 481 and name HA ))
2.500 0.800 0.800 peak 641 spectrum 1 weight 0.10000E+01 volume 0.60155E-02 ppm1 4.123 ppm2 3.172 CV 1
OR { 641}
(( segid "PAH3" and resid 481 and name HB1 ))
(( segid "PAH3" and resid 481 and name HA ))
ASSI { 724}
(( segid "PAH3" and resid 516 and name HZ ))
( segid "PAH3" and resid 502 and name HG2%)
3.000 1.100 1.100 peak 724 spectrum 1 weight 0.10000E+01 volume 0.21888E-02 ppm1 0.613 ppm2 -0.532 CV 1
OR { 724}
( segid "PAH3" and resid 516 and name HD% )
( segid "PAH3" and resid 502 and name HG2%)
OR { 724}
( segid "PAH3" and resid 491 and name HD% )
( segid "PAH3" and resid 502 and name HG2%)
ASSI { 756}
(( segid "PAH3" and resid 507 and name HA ))
(( segid "PAH3" and resid 507 and name HG1 ))
3.300 1.300 1.300 peak 756 spectrum 1 weight 0.10000E+01 volume 0.30078E-02 ppm1 1.953 ppm2 4.264 CV 1
OR { 756}
(( segid "PAH3" and resid 506 and name HB1 ))
(( segid "PAH3" and resid 507 and name HG1 ))
OR { 756}
(( segid "PAH3" and resid 507 and name HA ))
(( segid "PAH3" and resid 507 and name HG2 ))
OR { 756}
(( segid "PAH3" and resid 506 and name HB1 ))
(( segid "PAH3" and resid 507 and name HG2 ))
ASSI { 764}
(( segid "PAH3" and resid 467 and name HZ ))
( segid "PAH3" and resid 509 and name HD2%)
3.500 1.500 1.500 peak 764 spectrum 1 weight 0.10000E+01 volume 0.10799E-02 ppm1 0.485 ppm2 -1.050 CV 1
OR { 764}
( segid "PAH3" and resid 481 and name HD% )
( segid "PAH3" and resid 509 and name HD2%)
ASSI { 825}
(( segid "PAH3" and resid 515 and name HB2 ))
(( segid "PAH3" and resid 515 and name HA ))
2.800 0.900 0.900 peak 825 spectrum 1 weight 0.10000E+01 volume 0.33267E-02 ppm1 4.654 ppm2 1.519 CV 1
OR { 825}
( segid "PAH3" and resid 478 and name HB% )
(( segid "PAH3" and resid 477 and name HA ))
ASSI { 828}
(( segid "PAH3" and resid 513 and name HB1 ))
(( segid "PAH3" and resid 513 and name HG1 ))
2.100 0.500 0.500 peak 828 spectrum 1 weight 0.10000E+01 volume 0.10799E-01 ppm1 2.218 ppm2 2.496 CV 1
OR { 828}
(( segid "PAH3" and resid 493 and name HG2 ))
(( segid "PAH3" and resid 493 and name HB1 ))
ASSI { 850}
( segid "PAH3" and resid 496 and name HD1%)
( segid "PAH3" and resid 496 and name HG2%)
2.400 0.700 0.700 peak 850 spectrum 1 weight 0.10000E+01 volume 0.49719E-02 ppm1 0.811 ppm2 0.945 CV 1
OR { 850}
( segid "PAH3" and resid 495 and name HG1%)
( segid "PAH3" and resid 496 and name HG2%)
ASSI { 852}
(( segid "PAH3" and resid 470 and name HB1 ))
( segid "PAH3" and resid 474 and name HB% )
3.500 1.500 1.500 peak 852 spectrum 1 weight 0.10000E+01 volume 0.10726E-02 ppm1 0.308 ppm2 1.812 CV 1
OR { 852}
(( segid "PAH3" and resid 475 and name HG ))
( segid "PAH3" and resid 474 and name HB% )
ASSI { 853}
( segid "PAH3" and resid 475 and name HD2%)
( segid "PAH3" and resid 474 and name HB% )
3.600 1.600 1.600 peak 853 spectrum 1 weight 0.10000E+01 volume 0.13843E-02 ppm1 0.306 ppm2 0.696 CV 1
OR { 853}
( segid "PAH3" and resid 515 and name HD1%)
( segid "PAH3" and resid 474 and name HB% )
ASSI { 860}
(( segid "PAH3" and resid 501 and name HA ))
( segid "PAH3" and resid 496 and name HD1%)
2.700 0.900 0.900 peak 860 spectrum 1 weight 0.10000E+01 volume 0.27758E-02 ppm1 0.974 ppm2 4.052 CV 1
OR { 860}
(( segid "PAH3" and resid 487 and name HA ))
( segid "PAH3" and resid 496 and name HD1%)
ASSI { 887}
(( segid "PAH3" and resid 470 and name HB1 ))
(( segid "PAH3" and resid 470 and name HE2 ))
3.400 1.500 1.500 peak 887 spectrum 1 weight 0.10000E+01 volume 0.24279E-02 ppm1 2.789 ppm2 1.776 CV 1
OR { 887}
(( segid "PAH3" and resid 470 and name HB1 ))
(( segid "PAH3" and resid 470 and name HE1 ))
OR { 887}
(( segid "PAH3" and resid 466 and name HB1 ))
(( segid "PAH3" and resid 470 and name HE1 ))
ASSI { 889}
(( segid "PAH3" and resid 526 and name HB1 ))
(( segid "PAH3" and resid 526 and name HE1 ))
3.200 1.300 1.300 peak 889 spectrum 1 weight 0.10000E+01 volume 0.22105E-02 ppm1 2.864 ppm2 1.674 CV 1
OR { 889}
(( segid "PAH3" and resid 526 and name HB1 ))
(( segid "PAH3" and resid 526 and name HE2 ))
OR { 889}
(( segid "PAH3" and resid 473 and name HB1 ))
(( segid "PAH3" and resid 473 and name HE1 ))
OR { 889}
(( segid "PAH3" and resid 473 and name HB1 ))
(( segid "PAH3" and resid 473 and name HE2 ))
ASSI { 890}
(( segid "PAH3" and resid 511 and name HD2 ))
(( segid "PAH3" and resid 511 and name HE2 ))
2.000 0.500 0.500 peak 890 spectrum 1 weight 0.10000E+01 volume 0.18917E-01 ppm1 2.865 ppm2 1.495 CV 1
OR { 890}
(( segid "PAH3" and resid 511 and name HD1 ))
(( segid "PAH3" and resid 511 and name HE1 ))
OR { 890}
(( segid "PAH3" and resid 473 and name HD2 ))
(( segid "PAH3" and resid 473 and name HE1 ))
OR { 890}
(( segid "PAH3" and resid 473 and name HD1 ))
(( segid "PAH3" and resid 473 and name HE2 ))
OR { 890}
(( segid "PAH3" and resid 511 and name HD2 ))
(( segid "PAH3" and resid 511 and name HE1 ))
OR { 890}
(( segid "PAH3" and resid 511 and name HD1 ))
(( segid "PAH3" and resid 511 and name HE2 ))
OR { 890}
(( segid "PAH3" and resid 473 and name HD2 ))
(( segid "PAH3" and resid 473 and name HE2 ))
ASSI { 891}
(( segid "PAH3" and resid 473 and name HA ))
(( segid "PAH3" and resid 473 and name HE2 ))
4.100 2.100 1.900 peak 891 spectrum 1 weight 0.10000E+01 volume 0.53850E-03 ppm1 2.864 ppm2 3.805 CV 1
OR { 891}
(( segid "PAH3" and resid 473 and name HA ))
(( segid "PAH3" and resid 473 and name HE1 ))
OR { 891}
(( segid "PAH3" and resid 510 and name HA1 ))
(( segid "PAH3" and resid 511 and name HE2 ))
ASSI { 895}
( segid "PAH3" and resid 475 and name HD2%)
(( segid "PAH3" and resid 475 and name HB2 ))
2.800 1.000 1.000 peak 895 spectrum 1 weight 0.10000E+01 volume 0.20438E-02 ppm1 1.515 ppm2 0.700 CV 1
OR { 895}
( segid "PAH3" and resid 515 and name HD1%)
(( segid "PAH3" and resid 515 and name HB2 ))
ASSI { 913}
(( segid "PAH3" and resid 496 and name HG11))
(( segid "PAH3" and resid 496 and name HB ))
2.800 1.000 1.000 peak 913 spectrum 1 weight 0.10000E+01 volume 0.15075E-02 ppm1 2.277 ppm2 1.777 CV 1
OR { 913}
(( segid "PAH3" and resid 500 and name HB2 ))
(( segid "PAH3" and resid 496 and name HB ))
ASSI { 916}
(( segid "PAH3" and resid 498 and name HA ))
(( segid "PAH3" and resid 501 and name HB1 ))
3.300 1.300 1.300 peak 916 spectrum 1 weight 0.10000E+01 volume 0.11596E-02 ppm1 2.253 ppm2 4.029 CV 1
OR { 916}
(( segid "PAH3" and resid 501 and name HA ))
(( segid "PAH3" and resid 501 and name HB1 ))
ASSI { 917}
(( segid "PAH3" and resid 501 and name HA ))
(( segid "PAH3" and resid 501 and name HB2 ))
3.100 1.200 1.200 peak 917 spectrum 1 weight 0.10000E+01 volume 0.11016E-02 ppm1 1.456 ppm2 4.041 CV 1
OR { 917}
(( segid "PAH3" and resid 498 and name HA ))
(( segid "PAH3" and resid 501 and name HB2 ))
ASSI { 928}
(( segid "PAH3" and resid 520 and name HA ))
(( segid "PAH3" and resid 525 and name HB2 ))
4.200 2.200 1.800 peak 928 spectrum 1 weight 0.10000E+01 volume 0.34498E-03 ppm1 2.548 ppm2 3.590 CV 1
OR { 928}
(( segid "PAH3" and resid 519 and name HB2 ))
(( segid "PAH3" and resid 522 and name HB1 ))
ASSI { 932}
( segid "PAH3" and resid 505 and name HG2%)
(( segid "PAH3" and resid 508 and name HB2 ))
3.600 1.600 1.600 peak 932 spectrum 1 weight 0.10000E+01 volume 0.49284E-03 ppm1 2.967 ppm2 1.019 CV 1
OR { 932}
( segid "PAH3" and resid 475 and name HD1%)
(( segid "PAH3" and resid 508 and name HB2 ))
ASSI { 936}
( segid "PAH3" and resid 502 and name HG2%)
(( segid "PAH3" and resid 520 and name HE2 ))
3.500 1.600 1.600 peak 936 spectrum 1 weight 0.10000E+01 volume 0.13770E-02 ppm1 1.662 ppm2 0.614 CV 1
OR { 936}
( segid "PAH3" and resid 509 and name HD1%)
(( segid "PAH3" and resid 520 and name HE2 ))
ASSI { 945}
( segid "PAH3" and resid 502 and name HG2%)
(( segid "PAH3" and resid 520 and name HD1 ))
3.800 1.800 1.800 peak 945 spectrum 1 weight 0.10000E+01 volume 0.11016E-02 ppm1 1.298 ppm2 0.614 CV 1
OR { 945}
( segid "PAH3" and resid 509 and name HD1%)
(( segid "PAH3" and resid 520 and name HD1 ))
ASSI { 950}
( segid "PAH3" and resid 502 and name HG2%)
(( segid "PAH3" and resid 520 and name HE1 ))
3.500 1.500 1.500 peak 950 spectrum 1 weight 0.10000E+01 volume 0.18844E-02 ppm1 1.762 ppm2 0.616 CV 1
OR { 950}
( segid "PAH3" and resid 509 and name HD1%)
(( segid "PAH3" and resid 520 and name HE1 ))
ASSI { 956}
(( segid "PAH3" and resid 483 and name HA ))
(( segid "PAH3" and resid 483 and name HB2 ))
2.800 1.000 1.000 peak 956 spectrum 1 weight 0.10000E+01 volume 0.22323E-02 ppm1 2.750 ppm2 4.497 CV 1
OR { 956}
(( segid "PAH3" and resid 480 and name HA ))
(( segid "PAH3" and resid 483 and name HB2 ))
ASSI { 966}
( segid "PAH3" and resid 471 and name HG1%)
(( segid "PAH3" and resid 484 and name HB1 ))
4.000 2.000 2.000 peak 966 spectrum 1 weight 0.10000E+01 volume 0.52835E-03 ppm1 3.203 ppm2 0.194 CV 1
OR { 966}
( segid "PAH3" and resid 471 and name HG1%)
(( segid "PAH3" and resid 481 and name HB1 ))
ASSI { 981}
(( segid "PAH3" and resid 470 and name HD2 ))
(( segid "PAH3" and resid 470 and name HA ))
3.500 1.600 1.600 peak 981 spectrum 1 weight 0.10000E+01 volume 0.23120E-02 ppm1 3.697 ppm2 1.423 CV 1
OR { 981}
(( segid "PAH3" and resid 473 and name HG1 ))
(( segid "PAH3" and resid 470 and name HA ))
ASSI { 992}
(( segid "PAH3" and resid 470 and name HG1 ))
(( segid "PAH3" and resid 470 and name HG2 ))
1.600 0.300 0.600 peak 992 spectrum 1 weight 0.10000E+01 volume 0.43776E-01 ppm1 1.277 ppm2 1.534 CV 1
OR { 992}
(( segid "PAH3" and resid 473 and name HD1 ))
(( segid "PAH3" and resid 473 and name HG2 ))
OR { 992}
(( segid "PAH3" and resid 473 and name HD2 ))
(( segid "PAH3" and resid 473 and name HG2 ))
OR { 992}
(( segid "PAH3" and resid 470 and name HD1 ))
(( segid "PAH3" and resid 470 and name HG2 ))
ASSI { 996}
(( segid "PAH3" and resid 473 and name HG2 ))
(( segid "PAH3" and resid 473 and name HD1 ))
1.900 0.400 0.400 peak 996 spectrum 1 weight 0.10000E+01 volume 0.24859E-01 ppm1 1.512 ppm2 1.274 CV 1
OR { 996}
(( segid "PAH3" and resid 473 and name HG2 ))
(( segid "PAH3" and resid 473 and name HD2 ))
OR { 996}
(( segid "PAH3" and resid 470 and name HG2 ))
(( segid "PAH3" and resid 470 and name HD1 ))
ASSI { 1025}
(( segid "PAH3" and resid 507 and name HD1 ))
(( segid "PAH3" and resid 507 and name HA ))
3.200 1.300 1.300 peak 1025 spectrum 1 weight 0.10000E+01 volume 0.11959E-02 ppm1 4.263 ppm2 3.818 CV 1
OR { 1025}
(( segid "PAH3" and resid 510 and name HA1 ))
(( segid "PAH3" and resid 507 and name HA ))
ASSI { 1042}
(( segid "PAH3" and resid 507 and name HD1 ))
(( segid "PAH3" and resid 506 and name HB1 ))
2.000 0.500 0.500 peak 1042 spectrum 1 weight 0.10000E+01 volume 0.12031E-01 ppm1 4.255 ppm2 3.824 CV 1
OR { 1042}
(( segid "PAH3" and resid 506 and name HA ))
(( segid "PAH3" and resid 506 and name HB2 ))
OR { 1042}
(( segid "PAH3" and resid 507 and name HD1 ))
(( segid "PAH3" and resid 506 and name HB2 ))
ASSI { 1047}
(( segid "PAH3" and resid 458 and name HG1 ))
(( segid "PAH3" and resid 458 and name HB2 ))
2.300 0.700 0.700 peak 1047 spectrum 1 weight 0.10000E+01 volume 0.76826E-02 ppm1 1.686 ppm2 1.398 CV 1
OR { 1047}
(( segid "PAH3" and resid 473 and name HG1 ))
(( segid "PAH3" and resid 473 and name HB1 ))
ASSI { 1049}
(( segid "PAH3" and resid 473 and name HG2 ))
(( segid "PAH3" and resid 473 and name HB1 ))
2.300 0.700 0.700 peak 1049 spectrum 1 weight 0.10000E+01 volume 0.79726E-02 ppm1 1.687 ppm2 1.307 CV 1
OR { 1049}
(( segid "PAH3" and resid 458 and name HG2 ))
(( segid "PAH3" and resid 458 and name HB2 ))
ASSI { 1077}
(( segid "PAH3" and resid 520 and name HD1 ))
(( segid "PAH3" and resid 520 and name HA ))
3.400 1.500 1.500 peak 1077 spectrum 1 weight 0.10000E+01 volume 0.84800E-03 ppm1 3.581 ppm2 1.298 CV 1
OR { 1077}
(( segid "PAH3" and resid 523 and name HB2 ))
(( segid "PAH3" and resid 520 and name HA ))
ASSI { 1085}
(( segid "PAH3" and resid 501 and name HB1 ))
(( segid "PAH3" and resid 498 and name HA ))
2.600 0.800 0.800 peak 1085 spectrum 1 weight 0.10000E+01 volume 0.33194E-02 ppm1 4.021 ppm2 2.249 CV 1
OR { 1085}
(( segid "PAH3" and resid 498 and name HG1 ))
(( segid "PAH3" and resid 498 and name HA ))
ASSI { 1107}
(( segid "PAH3" and resid 472 and name HB2 ))
(( segid "PAH3" and resid 472 and name HB1 ))
1.900 0.500 0.500 peak 1107 spectrum 1 weight 0.10000E+01 volume 0.13190E-01 ppm1 1.478 ppm2 0.975 CV 1
OR { 1107}
(( segid "PAH3" and resid 511 and name HG1 ))
(( segid "PAH3" and resid 511 and name HD2 ))
ASSI { 1108}
(( segid "PAH3" and resid 511 and name HE2 ))
(( segid "PAH3" and resid 511 and name HD2 ))
2.100 0.500 0.500 peak 1108 spectrum 1 weight 0.10000E+01 volume 0.16090E-01 ppm1 1.484 ppm2 2.862 CV 1
OR { 1108}
(( segid "PAH3" and resid 511 and name HE1 ))
(( segid "PAH3" and resid 511 and name HD1 ))
OR { 1108}
(( segid "PAH3" and resid 473 and name HE1 ))
(( segid "PAH3" and resid 473 and name HD2 ))
OR { 1108}
(( segid "PAH3" and resid 473 and name HE2 ))
(( segid "PAH3" and resid 473 and name HD1 ))
OR { 1108}
(( segid "PAH3" and resid 511 and name HE1 ))
(( segid "PAH3" and resid 511 and name HD2 ))
OR { 1108}
(( segid "PAH3" and resid 511 and name HE2 ))
(( segid "PAH3" and resid 511 and name HD1 ))
OR { 1108}
(( segid "PAH3" and resid 473 and name HE2 ))
(( segid "PAH3" and resid 473 and name HD2 ))
OR { 1108}
(( segid "PAH3" and resid 473 and name HE1 ))
(( segid "PAH3" and resid 473 and name HD1 ))
ASSI { 1109}
(( segid "PAH3" and resid 504 and name HB2 ))
(( segid "PAH3" and resid 501 and name HA ))
3.100 1.200 1.200 peak 1109 spectrum 1 weight 0.10000E+01 volume 0.14713E-02 ppm1 4.012 ppm2 1.746 CV 1
OR { 1109}
(( segid "PAH3" and resid 500 and name HB2 ))
(( segid "PAH3" and resid 500 and name HA ))
ASSI { 1114}
(( segid "PAH3" and resid 493 and name HG2 ))
(( segid "PAH3" and resid 493 and name HB1 ))
1.900 0.400 0.400 peak 1114 spectrum 1 weight 0.10000E+01 volume 0.27396E-01 ppm1 2.214 ppm2 2.469 CV 1
OR { 1114}
(( segid "PAH3" and resid 503 and name HG1 ))
(( segid "PAH3" and resid 503 and name HB2 ))
OR { 1114}
(( segid "PAH3" and resid 503 and name HG2 ))
(( segid "PAH3" and resid 503 and name HB2 ))
ASSI { 1120}
(( segid "PAH3" and resid 500 and name HA ))
(( segid "PAH3" and resid 503 and name HB1 ))
3.400 1.400 1.400 peak 1120 spectrum 1 weight 0.10000E+01 volume 0.20656E-02 ppm1 2.284 ppm2 4.010 CV 1
OR { 1120}
(( segid "PAH3" and resid 465 and name HB1 ))
(( segid "PAH3" and resid 464 and name HB1 ))
ASSI { 1132}
( segid "PAH3" and resid 501 and name HD1%)
(( segid "PAH3" and resid 501 and name HG ))
2.200 0.600 0.600 peak 1132 spectrum 1 weight 0.10000E+01 volume 0.10292E-01 ppm1 1.636 ppm2 0.900 CV 1
OR { 1132}
( segid "PAH3" and resid 466 and name HD2%)
(( segid "PAH3" and resid 466 and name HG ))
ASSI { 1138}
( segid "PAH3" and resid 471 and name HG1%)
(( segid "PAH3" and resid 475 and name HG ))
3.900 1.900 1.900 peak 1138 spectrum 1 weight 0.10000E+01 volume 0.10292E-02 ppm1 1.828 ppm2 0.200 CV 1
OR { 1138}
( segid "PAH3" and resid 471 and name HG1%)
(( segid "PAH3" and resid 515 and name HG ))
ASSI { 1141}
( segid "PAH3" and resid 474 and name HB% )
(( segid "PAH3" and resid 475 and name HG ))
4.600 2.600 1.400 peak 1141 spectrum 1 weight 0.10000E+01 volume 0.37253E-03 ppm1 1.840 ppm2 0.310 CV 1
OR { 1141}
( segid "PAH3" and resid 474 and name HB% )
(( segid "PAH3" and resid 515 and name HG ))
ASSI { 1142}
(( segid "PAH3" and resid 515 and name HB2 ))
(( segid "PAH3" and resid 515 and name HG ))
2.800 1.000 1.000 peak 1142 spectrum 1 weight 0.10000E+01 volume 0.35006E-02 ppm1 1.840 ppm2 1.513 CV 1
OR { 1142}
(( segid "PAH3" and resid 475 and name HB2 ))
(( segid "PAH3" and resid 475 and name HG ))
ASSI { 1145}
( segid "PAH3" and resid 523 and name HD1%)
(( segid "PAH3" and resid 523 and name HG ))
2.300 0.700 0.700 peak 1145 spectrum 1 weight 0.10000E+01 volume 0.71389E-02 ppm1 1.372 ppm2 0.487 CV 1
OR { 1145}
( segid "PAH3" and resid 509 and name HD2%)
(( segid "PAH3" and resid 509 and name HG ))
ASSI { 1149}
(( segid "PAH3" and resid 520 and name HA ))
( segid "PAH3" and resid 523 and name HD2%)
3.400 1.400 1.400 peak 1149 spectrum 1 weight 0.10000E+01 volume 0.14350E-02 ppm1 0.357 ppm2 3.588 CV 1
OR { 1149}
(( segid "PAH3" and resid 519 and name HB1 ))
( segid "PAH3" and resid 523 and name HD2%)
OR { 1149}
(( segid "PAH3" and resid 502 and name HA ))
( segid "PAH3" and resid 523 and name HD2%)
ASSI { 1152}
(( segid "PAH3" and resid 501 and name HB1 ))
( segid "PAH3" and resid 523 and name HD2%)
4.000 2.000 2.000 peak 1152 spectrum 1 weight 0.10000E+01 volume 0.43051E-03 ppm1 0.358 ppm2 2.256 CV 1
OR { 1152}
(( segid "PAH3" and resid 498 and name HG1 ))
( segid "PAH3" and resid 523 and name HD2%)
ASSI { 1155}
( segid "PAH3" and resid 490 and name HD1%)
(( segid "PAH3" and resid 487 and name HB2 ))
3.900 1.900 1.900 peak 1155 spectrum 1 weight 0.10000E+01 volume 0.94941E-03 ppm1 2.222 ppm2 1.043 CV 1
OR { 1155}
(( segid "PAH3" and resid 488 and name HB2 ))
(( segid "PAH3" and resid 487 and name HB2 ))
ASSI { 1160}
(( segid "PAH3" and resid 498 and name HA ))
( segid "PAH3" and resid 501 and name HD2%)
3.800 1.800 1.800 peak 1160 spectrum 1 weight 0.10000E+01 volume 0.76826E-03 ppm1 0.550 ppm2 4.029 CV 1
OR { 1160}
(( segid "PAH3" and resid 501 and name HA ))
( segid "PAH3" and resid 501 and name HD2%)
ASSI { 1162}
( segid "PAH3" and resid 496 and name HD1%)
(( segid "PAH3" and resid 490 and name HG12))
4.200 2.200 1.800 peak 1162 spectrum 1 weight 0.10000E+01 volume 0.55082E-03 ppm1 1.696 ppm2 0.975 CV 1
OR { 1162}
( segid "PAH3" and resid 489 and name HG2%)
(( segid "PAH3" and resid 490 and name HG12))
ASSI { 1172}
(( segid "PAH3" and resid 508 and name HB2 ))
( segid "PAH3" and resid 475 and name HD2%)
3.800 1.800 1.800 peak 1172 spectrum 1 weight 0.10000E+01 volume 0.88425E-03 ppm1 0.684 ppm2 2.971 CV 1
OR { 1172}
(( segid "PAH3" and resid 481 and name HB2 ))
( segid "PAH3" and resid 475 and name HD2%)
ASSI { 1191}
(( segid "PAH3" and resid 498 and name HA ))
( segid "PAH3" and resid 523 and name HD1%)
4.700 2.800 1.300 peak 1191 spectrum 1 weight 0.10000E+01 volume 0.21670E-03 ppm1 0.496 ppm2 4.022 CV 1
OR { 1191}
(( segid "PAH3" and resid 499 and name HA ))
( segid "PAH3" and resid 523 and name HD1%)
OR { 1191}
(( segid "PAH3" and resid 501 and name HA ))
( segid "PAH3" and resid 523 and name HD1%)
ASSI { 1200}
(( segid "PAH3" and resid 503 and name HB1 ))
( segid "PAH3" and resid 504 and name HD2%)
4.100 2.100 1.900 peak 1200 spectrum 1 weight 0.10000E+01 volume 0.57691E-03 ppm1 0.733 ppm2 2.295 CV 1
OR { 1200}
(( segid "PAH3" and resid 496 and name HB ))
( segid "PAH3" and resid 504 and name HD2%)
OR { 1200}
(( segid "PAH3" and resid 500 and name HG2 ))
( segid "PAH3" and resid 504 and name HD2%)
ASSI { 1201}
(( segid "PAH3" and resid 487 and name HB2 ))
( segid "PAH3" and resid 504 and name HD2%)
4.000 2.000 2.000 peak 1201 spectrum 1 weight 0.10000E+01 volume 0.56604E-03 ppm1 0.735 ppm2 2.210 CV 1
OR { 1201}
(( segid "PAH3" and resid 503 and name HB2 ))
( segid "PAH3" and resid 504 and name HD2%)
ASSI { 1204}
(( segid "PAH3" and resid 512 and name HB2 ))
( segid "PAH3" and resid 509 and name HD2%)
3.700 1.700 1.700 peak 1204 spectrum 1 weight 0.10000E+01 volume 0.52980E-03 ppm1 0.482 ppm2 3.124 CV 1
OR { 1204}
(( segid "PAH3" and resid 508 and name HB1 ))
( segid "PAH3" and resid 509 and name HD2%)
ASSI { 1216}
(( segid "PAH3" and resid 467 and name HB1 ))
( segid "PAH3" and resid 515 and name HD1%)
4.800 2.900 1.200 peak 1216 spectrum 1 weight 0.10000E+01 volume 0.39427E-03 ppm1 0.709 ppm2 2.171 CV 1
OR { 1216}
(( segid "PAH3" and resid 514 and name HB1 ))
( segid "PAH3" and resid 515 and name HD1%)
ASSI { 1221}
(( segid "PAH3" and resid 506 and name HB2 ))
( segid "PAH3" and resid 502 and name HG2%)
4.300 2.300 1.700 peak 1221 spectrum 1 weight 0.10000E+01 volume 0.45080E-03 ppm1 0.606 ppm2 4.266 CV 1
OR { 1221}
(( segid "PAH3" and resid 506 and name HB1 ))
( segid "PAH3" and resid 502 and name HG2%)
OR { 1221}
(( segid "PAH3" and resid 504 and name HA ))
( segid "PAH3" and resid 502 and name HG2%)
ASSI { 1225}
(( segid "PAH3" and resid 520 and name HG1 ))
( segid "PAH3" and resid 502 and name HG2%)
4.400 2.400 1.600 peak 1225 spectrum 1 weight 0.10000E+01 volume 0.36601E-03 ppm1 0.608 ppm2 1.392 CV 1
OR { 1225}
(( segid "PAH3" and resid 523 and name HG ))
( segid "PAH3" and resid 502 and name HG2%)
ASSI { 1226}
(( segid "PAH3" and resid 490 and name HA ))
( segid "PAH3" and resid 489 and name HG2%)
3.900 1.900 1.900 peak 1226 spectrum 1 weight 0.10000E+01 volume 0.67838E-03 ppm1 1.012 ppm2 4.097 CV 1
OR { 1226}
(( segid "PAH3" and resid 487 and name HA ))
( segid "PAH3" and resid 489 and name HG2%)
ASSI { 1227}
( segid "PAH3" and resid 488 and name HD1%)
( segid "PAH3" and resid 489 and name HG2%)
3.500 1.500 1.500 peak 1227 spectrum 1 weight 0.10000E+01 volume 0.11451E-02 ppm1 1.010 ppm2 0.254 CV 1
OR { 1227}
( segid "PAH3" and resid 488 and name HD1%)
( segid "PAH3" and resid 505 and name HG2%)
ASSI { 1237}
(( segid "PAH3" and resid 503 and name HG1 ))
( segid "PAH3" and resid 499 and name HB% )
3.700 1.700 1.700 peak 1237 spectrum 1 weight 0.10000E+01 volume 0.67983E-03 ppm1 1.568 ppm2 2.455 CV 1
OR { 1237}
(( segid "PAH3" and resid 500 and name HG1 ))
( segid "PAH3" and resid 499 and name HB% )
ASSI { 1}
( segid "SAP" and resid 165 and name HE% )
( segid "SAP" and resid 189 and name HG2%)
3.800 1.800 1.800 peak 1 spectrum 1 weight 0.10000E+01 volume 0.61556E-03 ppm1 6.720 ppm2 0.691 CV 1
OR { 1}
( segid "SAP" and resid 165 and name HE% )
( segid "SAP" and resid 189 and name HD1%)
OR { 1}
( segid "SAP" and resid 161 and name HD% )
( segid "SAP" and resid 189 and name HD1%)
ASSI { 4}
( segid "SAP" and resid 161 and name HE% )
( segid "SAP" and resid 189 and name HD1%)
2.900 1.000 1.000 peak 4 spectrum 1 weight 0.10000E+01 volume 0.20168E-02 ppm1 7.225 ppm2 0.700 CV 1
OR { 4}
( segid "SAP" and resid 186 and name HD% )
( segid "SAP" and resid 189 and name HD1%)
ASSI { 8}
( segid "SAP" and resid 186 and name HE% )
(( segid "SAP" and resid 148 and name HB ))
3.700 1.700 1.700 peak 8 spectrum 1 weight 0.10000E+01 volume 0.97198E-03 ppm1 7.113 ppm2 1.821 CV 1
OR { 8}
( segid "SAP" and resid 151 and name HD% )
(( segid "SAP" and resid 175 and name HB1 ))
ASSI { 10}
( segid "SAP" and resid 161 and name HD% )
(( segid "SAP" and resid 182 and name HA ))
2.700 0.900 0.900 peak 10 spectrum 1 weight 0.10000E+01 volume 0.39364E-02 ppm1 6.722 ppm2 3.318 CV 1
OR { 10}
( segid "SAP" and resid 161 and name HD% )
(( segid "SAP" and resid 185 and name HB1 ))
ASSI { 11}
( segid "SAP" and resid 161 and name HD% )
(( segid "SAP" and resid 162 and name HA ))
2.700 0.900 0.900 peak 11 spectrum 1 weight 0.10000E+01 volume 0.28592E-02 ppm1 6.720 ppm2 3.953 CV 1
OR { 11}
(( segid "SAP" and resid 164 and name HD2 ))
(( segid "SAP" and resid 164 and name HA ))
ASSI { 16}
( segid "SAP" and resid 186 and name HD% )
(( segid "SAP" and resid 183 and name HA1 ))
3.500 1.600 1.600 peak 16 spectrum 1 weight 0.10000E+01 volume 0.15794E-02 ppm1 7.226 ppm2 3.888 CV 1
OR { 16}
( segid "SAP" and resid 186 and name HD% )
(( segid "SAP" and resid 187 and name HA ))
OR { 16}
( segid "SAP" and resid 161 and name HE% )
(( segid "SAP" and resid 161 and name HA ))
ASSI { 25}
( segid "SAP" and resid 186 and name HD% )
( segid "SAP" and resid 150 and name HD1%)
4.100 2.100 1.900 peak 25 spectrum 1 weight 0.10000E+01 volume 0.44061E-03 ppm1 7.226 ppm2 0.451 CV 1
OR { 25}
( segid "SAP" and resid 161 and name HE% )
(( segid "SAP" and resid 189 and name HG12))
OR { 25}
( segid "SAP" and resid 186 and name HD% )
(( segid "SAP" and resid 189 and name HG12))
ASSI { 28}
( segid "SAP" and resid 186 and name HD% )
(( segid "SAP" and resid 186 and name HB1 ))
2.700 0.900 0.900 peak 28 spectrum 1 weight 0.10000E+01 volume 0.21140E-02 ppm1 7.228 ppm2 3.359 CV 1
OR { 28}
( segid "SAP" and resid 161 and name HE% )
(( segid "SAP" and resid 185 and name HB1 ))
ASSI { 33}
( segid "SAP" and resid 186 and name HE% )
( segid "SAP" and resid 148 and name HG2%)
2.800 1.000 1.000 peak 33 spectrum 1 weight 0.10000E+01 volume 0.32236E-02 ppm1 7.120 ppm2 0.672 CV 1
OR { 33}
( segid "SAP" and resid 186 and name HE% )
( segid "SAP" and resid 189 and name HD1%)
ASSI { 37}
(( segid "SAP" and resid 186 and name HZ ))
( segid "SAP" and resid 148 and name HG2%)
3.200 1.300 1.300 peak 37 spectrum 1 weight 0.10000E+01 volume 0.17009E-02 ppm1 7.467 ppm2 0.670 CV 1
OR { 37}
(( segid "SAP" and resid 186 and name HZ ))
( segid "SAP" and resid 189 and name HD1%)
ASSI { 40}
( segid "SAP" and resid 200 and name HD% )
( segid "SAP" and resid 197 and name HD2%)
3.800 1.800 1.800 peak 40 spectrum 1 weight 0.10000E+01 volume 0.48030E-03 ppm1 7.660 ppm2 -0.041 CV 1
OR { 40}
( segid "SAP" and resid 200 and name HD% )
( segid "SAP" and resid 204 and name HG2%)
ASSI { 61}
( segid "SAP" and resid 151 and name HE% )
(( segid "SAP" and resid 179 and name HB ))
3.700 1.700 1.700 peak 61 spectrum 1 weight 0.10000E+01 volume 0.83425E-03 ppm1 6.713 ppm2 1.932 CV 1
OR { 61}
( segid "SAP" and resid 161 and name HD% )
(( segid "SAP" and resid 181 and name HB ))
OR { 61}
( segid "SAP" and resid 165 and name HE% )
(( segid "SAP" and resid 190 and name HG1 ))
OR { 61}
( segid "SAP" and resid 165 and name HE% )
(( segid "SAP" and resid 190 and name HG2 ))
OR { 61}
( segid "SAP" and resid 161 and name HD% )
(( segid "SAP" and resid 163 and name HB2 ))
ASSI { 62}
( segid "SAP" and resid 151 and name HE% )
( segid "SAP" and resid 176 and name HB% )
3.100 1.200 1.200 peak 62 spectrum 1 weight 0.10000E+01 volume 0.27863E-02 ppm1 6.711 ppm2 1.521 CV 1
OR { 62}
( segid "SAP" and resid 165 and name HE% )
(( segid "SAP" and resid 189 and name HG11))
ASSI { 67}
( segid "SAP" and resid 151 and name HE% )
(( segid "SAP" and resid 175 and name HD2 ))
3.600 1.600 1.600 peak 67 spectrum 1 weight 0.10000E+01 volume 0.14418E-02 ppm1 6.713 ppm2 1.559 CV 1
OR { 67}
(( segid "SAP" and resid 164 and name HD2 ))
(( segid "SAP" and resid 160 and name HG2 ))
OR { 67}
( segid "SAP" and resid 151 and name HE% )
(( segid "SAP" and resid 175 and name HD1 ))
OR { 67}
( segid "SAP" and resid 161 and name HD% )
(( segid "SAP" and resid 160 and name HG2 ))
OR { 67}
( segid "SAP" and resid 161 and name HD% )
(( segid "SAP" and resid 158 and name HG ))
ASSI { 81}
( segid "SAP" and resid 151 and name HD% )
(( segid "SAP" and resid 152 and name HA ))
3.300 1.400 1.400 peak 81 spectrum 1 weight 0.10000E+01 volume 0.16928E-02 ppm1 7.123 ppm2 4.059 CV 1
OR { 81}
( segid "SAP" and resid 186 and name HE% )
(( segid "SAP" and resid 186 and name HA ))
ASSI { 3}
(( segid "PAH3" and resid 479 and name HA ))
( segid "SAP" and resid 145 and name HG2%)
4.900 3.000 1.100 peak 3 spectrum 1 weight 0.10000E+01 volume 0.57213E-03 ppm1 1.229 ppm2 4.086 CV 1
ASSI { 4}
(( segid "PAH3" and resid 479 and name HB1 ))
( segid "SAP" and resid 145 and name HG2%)
3.700 1.700 1.700 peak 4 spectrum 1 weight 0.10000E+01 volume 0.93589E-03 ppm1 1.232 ppm2 2.106 CV 1
ASSI { 5}
(( segid "PAH3" and resid 479 and name HB2 ))
( segid "SAP" and resid 145 and name HG2%)
3.300 1.400 1.400 peak 5 spectrum 1 weight 0.10000E+01 volume 0.12238E-02 ppm1 1.231 ppm2 1.943 CV 1
ASSI { 6}
(( segid "PAH3" and resid 479 and name HG2 ))
( segid "SAP" and resid 145 and name HG2%)
3.700 1.800 1.800 peak 6 spectrum 1 weight 0.10000E+01 volume 0.15345E-02 ppm1 1.231 ppm2 2.344 CV 1
OR { 6}
(( segid "PAH3" and resid 479 and name HG1 ))
( segid "SAP" and resid 145 and name HG2%)
ASSI { 7}
(( segid "PAH3" and resid 480 and name HA ))
( segid "SAP" and resid 145 and name HG2%)
3.500 1.600 1.600 peak 7 spectrum 1 weight 0.10000E+01 volume 0.10609E-02 ppm1 1.230 ppm2 4.486 CV 1
ASSI { 8}
( segid "PAH3" and resid 480 and name HB% )
( segid "SAP" and resid 145 and name HG2%)
3.100 1.200 1.200 peak 8 spectrum 1 weight 0.10000E+01 volume 0.29933E-02 ppm1 1.227 ppm2 1.663 CV 1
ASSI { 10}
( segid "PAH3" and resid 508 and name HE% )
( segid "SAP" and resid 145 and name HG2%)
3.300 1.300 1.300 peak 10 spectrum 1 weight 0.10000E+01 volume 0.58350E-03 ppm1 1.234 ppm2 7.433 CV 1
ASSI { 11}
(( segid "PAH3" and resid 508 and name HZ ))
( segid "SAP" and resid 145 and name HG2%)
3.100 3.100 2.900 peak 11 spectrum 1 weight 0.10000E+01 volume 0.73506E-03 ppm1 1.234 ppm2 7.148 CV 1
ASSI { 12}
( segid "PAH3" and resid 508 and name HD% )
(( segid "SAP" and resid 146 and name HB1 ))
4.100 2.100 1.900 peak 12 spectrum 1 weight 0.10000E+01 volume 0.10230E-02 ppm1 1.757 ppm2 7.214 CV 1
ASSI { 13}
( segid "PAH3" and resid 508 and name HE% )
(( segid "SAP" and resid 146 and name HB1 ))
4.600 2.600 1.400 peak 13 spectrum 1 weight 0.10000E+01 volume 0.82603E-03 ppm1 1.760 ppm2 7.424 CV 1
ASSI { 15}
( segid "PAH3" and resid 508 and name HD% )
(( segid "SAP" and resid 146 and name HB2 ))
3.200 1.300 1.300 peak 15 spectrum 1 weight 0.10000E+01 volume 0.10154E-02 ppm1 1.059 ppm2 7.206 CV 1
ASSI { 16}
( segid "PAH3" and resid 508 and name HE% )
(( segid "SAP" and resid 146 and name HB2 ))
3.200 1.300 1.300 peak 16 spectrum 1 weight 0.10000E+01 volume 0.67443E-03 ppm1 1.065 ppm2 7.426 CV 1
ASSI { 18}
( segid "PAH3" and resid 475 and name HD1%)
(( segid "SAP" and resid 146 and name HD2 ))
5.500 3.800 0.500 peak 18 spectrum 1 weight 0.10000E+01 volume 0.35238E-03 ppm1 3.697 ppm2 0.994 CV 1
ASSI { 19}
( segid "PAH3" and resid 480 and name HB% )
(( segid "SAP" and resid 146 and name HD2 ))
2.600 0.800 0.800 peak 19 spectrum 1 weight 0.10000E+01 volume 0.14246E-02 ppm1 3.699 ppm2 1.654 CV 1
ASSI { 20}
( segid "PAH3" and resid 475 and name HD1%)
(( segid "SAP" and resid 146 and name HG2 ))
3.200 1.300 1.300 peak 20 spectrum 1 weight 0.10000E+01 volume 0.38648E-02 ppm1 1.873 ppm2 0.987 CV 1
OR { 20}
( segid "PAH3" and resid 475 and name HD1%)
(( segid "SAP" and resid 146 and name HG1 ))
ASSI { 21}
( segid "PAH3" and resid 480 and name HB% )
(( segid "SAP" and resid 146 and name HG2 ))
3.300 1.300 1.300 peak 21 spectrum 1 weight 0.10000E+01 volume 0.19134E-02 ppm1 1.876 ppm2 1.640 CV 1
OR { 21}
( segid "PAH3" and resid 480 and name HB% )
(( segid "SAP" and resid 146 and name HG1 ))
ASSI { 22}
(( segid "PAH3" and resid 507 and name HB1 ))
(( segid "SAP" and resid 146 and name HG1 ))
5.200 3.400 0.800 peak 22 spectrum 1 weight 0.10000E+01 volume 0.35540E-03 ppm1 1.867 ppm2 2.223 CV 1
OR { 22}
(( segid "PAH3" and resid 507 and name HB1 ))
(( segid "SAP" and resid 146 and name HG2 ))
ASSI { 23}
(( segid "PAH3" and resid 507 and name HB2 ))
(( segid "SAP" and resid 146 and name HG2 ))
4.000 2.000 2.000 peak 23 spectrum 1 weight 0.10000E+01 volume 0.11519E-02 ppm1 1.873 ppm2 1.090 CV 1
OR { 23}
(( segid "PAH3" and resid 507 and name HB2 ))
(( segid "SAP" and resid 146 and name HG1 ))
ASSI { 24}
( segid "PAH3" and resid 508 and name HD% )
(( segid "SAP" and resid 146 and name HG2 ))
2.500 0.800 0.800 peak 24 spectrum 1 weight 0.10000E+01 volume 0.44331E-02 ppm1 1.864 ppm2 7.224 CV 1
OR { 24}
( segid "PAH3" and resid 508 and name HD% )
(( segid "SAP" and resid 146 and name HG1 ))
ASSI { 25}
( segid "PAH3" and resid 508 and name HE% )
(( segid "SAP" and resid 146 and name HG2 ))
3.000 1.100 1.100 peak 25 spectrum 1 weight 0.10000E+01 volume 0.26902E-02 ppm1 1.872 ppm2 7.430 CV 1
ASSI { 27}
( segid "PAH3" and resid 508 and name HE% )
(( segid "SAP" and resid 148 and name HA ))
3.600 1.600 1.600 peak 27 spectrum 1 weight 0.10000E+01 volume 0.48498E-03 ppm1 3.908 ppm2 7.430 CV 1
ASSI { 34}
(( segid "PAH3" and resid 483 and name HB2 ))
( segid "SAP" and resid 148 and name HG1%)
3.200 1.300 1.300 peak 34 spectrum 1 weight 0.10000E+01 volume 0.21180E-02 ppm1 0.978 ppm2 2.742 CV 1
ASSI { 36}
(( segid "PAH3" and resid 504 and name HB2 ))
( segid "SAP" and resid 148 and name HG1%)
4.300 2.300 1.700 peak 36 spectrum 1 weight 0.10000E+01 volume 0.12921E-02 ppm1 0.975 ppm2 1.717 CV 1
ASSI { 38}
( segid "PAH3" and resid 508 and name HD% )
( segid "SAP" and resid 148 and name HG1%)
3.700 1.700 1.700 peak 38 spectrum 1 weight 0.10000E+01 volume 0.35767E-02 ppm1 0.977 ppm2 7.235 CV 1
ASSI { 39}
( segid "PAH3" and resid 508 and name HE% )
( segid "SAP" and resid 148 and name HG1%)
3.200 1.300 1.300 peak 39 spectrum 1 weight 0.10000E+01 volume 0.58729E-02 ppm1 0.978 ppm2 7.431 CV 1
ASSI { 40}
(( segid "PAH3" and resid 508 and name HZ ))
( segid "SAP" and resid 148 and name HG1%)
2.700 0.900 0.900 peak 40 spectrum 1 weight 0.10000E+01 volume 0.74642E-02 ppm1 0.976 ppm2 7.144 CV 1
ASSI { 42}
(( segid "PAH3" and resid 483 and name HB2 ))
( segid "SAP" and resid 148 and name HG2%)
4.600 2.600 1.400 peak 42 spectrum 1 weight 0.10000E+01 volume 0.71232E-03 ppm1 0.672 ppm2 2.756 CV 1
ASSI { 43}
(( segid "PAH3" and resid 504 and name HA ))
( segid "SAP" and resid 148 and name HG2%)
3.400 1.400 1.400 peak 43 spectrum 1 weight 0.10000E+01 volume 0.15687E-02 ppm1 0.671 ppm2 4.253 CV 1
ASSI { 45}
(( segid "PAH3" and resid 504 and name HB2 ))
( segid "SAP" and resid 148 and name HG2%)
3.800 1.800 1.800 peak 45 spectrum 1 weight 0.10000E+01 volume 0.27432E-02 ppm1 0.672 ppm2 1.711 CV 1
ASSI { 46}
( segid "PAH3" and resid 504 and name HD1%)
( segid "SAP" and resid 148 and name HG2%)
3.200 1.300 1.300 peak 46 spectrum 1 weight 0.10000E+01 volume 0.36261E-02 ppm1 0.671 ppm2 0.828 CV 1
ASSI { 47}
( segid "PAH3" and resid 504 and name HD2%)
( segid "SAP" and resid 148 and name HG2%)
2.400 0.700 0.700 peak 47 spectrum 1 weight 0.10000E+01 volume 0.60244E-02 ppm1 0.675 ppm2 0.715 CV 1
ASSI { 49}
( segid "PAH3" and resid 508 and name HE% )
( segid "SAP" and resid 148 and name HG2%)
3.100 1.200 1.200 peak 49 spectrum 1 weight 0.10000E+01 volume 0.34480E-02 ppm1 0.678 ppm2 7.425 CV 1
ASSI { 50}
(( segid "PAH3" and resid 483 and name HD22))
( segid "SAP" and resid 148 and name HG2%)
2.900 1.100 1.100 peak 50 spectrum 1 weight 0.10000E+01 volume 0.26296E-02 ppm1 0.677 ppm2 7.159 CV 1
ASSI { 51}
( segid "PAH3" and resid 504 and name HD1%)
(( segid "SAP" and resid 150 and name HA ))
5.000 3.200 1.000 peak 51 spectrum 1 weight 0.10000E+01 volume 0.40163E-03 ppm1 3.807 ppm2 0.821 CV 1
ASSI { 53}
( segid "PAH3" and resid 490 and name HD1%)
( segid "SAP" and resid 150 and name HD2%)
3.500 1.500 1.500 peak 53 spectrum 1 weight 0.10000E+01 volume 0.11215E-02 ppm1 0.200 ppm2 1.061 CV 1
ASSI { 54}
( segid "PAH3" and resid 504 and name HD1%)
( segid "SAP" and resid 150 and name HD2%)
3.000 1.100 1.100 peak 54 spectrum 1 weight 0.10000E+01 volume 0.40542E-02 ppm1 0.198 ppm2 0.817 CV 1
ASSI { 55}
( segid "PAH3" and resid 504 and name HD2%)
( segid "SAP" and resid 150 and name HD2%)
2.500 0.800 0.800 peak 55 spectrum 1 weight 0.10000E+01 volume 0.45847E-02 ppm1 0.197 ppm2 0.718 CV 1
ASSI { 57}
( segid "PAH3" and resid 504 and name HD2%)
(( segid "SAP" and resid 152 and name HG1 ))
3.400 1.500 1.500 peak 57 spectrum 1 weight 0.10000E+01 volume 0.90555E-03 ppm1 2.333 ppm2 0.712 CV 1
ASSI { 60}
(( segid "PAH3" and resid 504 and name HA ))
( segid "SAP" and resid 153 and name HD1%)
6.000 4.600 0.000 peak 60 spectrum 1 weight 0.10000E+01 volume 0.46604E-03 ppm1 0.894 ppm2 4.237 CV 1
ASSI { 61}
( segid "PAH3" and resid 504 and name HD2%)
( segid "SAP" and resid 153 and name HD1%)
2.500 0.800 0.800 peak 61 spectrum 1 weight 0.10000E+01 volume 0.57213E-02 ppm1 0.896 ppm2 0.712 CV 1
ASSI { 64}
(( segid "PAH3" and resid 496 and name HA ))
( segid "SAP" and resid 157 and name HG2%)
2.900 1.100 1.100 peak 64 spectrum 1 weight 0.10000E+01 volume 0.19476E-02 ppm1 1.454 ppm2 5.070 CV 1
ASSI { 65}
( segid "PAH3" and resid 496 and name HG2%)
( segid "SAP" and resid 157 and name HG2%)
2.300 0.700 0.700 peak 65 spectrum 1 weight 0.10000E+01 volume 0.79950E-02 ppm1 1.451 ppm2 0.789 CV 1
ASSI { 66}
(( segid "PAH3" and resid 495 and name HA ))
(( segid "SAP" and resid 160 and name HG1 ))
5.300 3.500 0.700 peak 66 spectrum 1 weight 0.10000E+01 volume 0.48877E-03 ppm1 1.881 ppm2 3.464 CV 1
ASSI { 67}
( segid "PAH3" and resid 495 and name HG1%)
(( segid "SAP" and resid 160 and name HG1 ))
3.400 1.500 1.500 peak 67 spectrum 1 weight 0.10000E+01 volume 0.42437E-03 ppm1 1.884 ppm2 0.922 CV 1
ASSI { 68}
( segid "PAH3" and resid 495 and name HG2%)
(( segid "SAP" and resid 160 and name HG1 ))
3.700 1.700 1.700 peak 68 spectrum 1 weight 0.10000E+01 volume 0.26826E-03 ppm1 1.861 ppm2 0.275 CV 1
ASSI { 69}
(( segid "PAH3" and resid 495 and name HA ))
(( segid "SAP" and resid 160 and name HG2 ))
3.100 1.200 1.200 peak 69 spectrum 1 weight 0.10000E+01 volume 0.91690E-03 ppm1 1.565 ppm2 3.477 CV 1
ASSI { 72}
( segid "PAH3" and resid 495 and name HG1%)
(( segid "SAP" and resid 160 and name HD1 ))
3.200 1.200 1.200 peak 72 spectrum 1 weight 0.10000E+01 volume 0.16255E-02 ppm1 3.464 ppm2 0.930 CV 1
OR { 72}
( segid "PAH3" and resid 495 and name HG1%)
(( segid "SAP" and resid 160 and name HD2 ))
ASSI { 73}
( segid "PAH3" and resid 495 and name HG2%)
(( segid "SAP" and resid 160 and name HD2 ))
3.600 1.600 1.600 peak 73 spectrum 1 weight 0.10000E+01 volume 0.11329E-02 ppm1 3.466 ppm2 0.278 CV 1
ASSI { 78}
( segid "PAH3" and resid 495 and name HG2%)
(( segid "SAP" and resid 164 and name HB2 ))
3.600 1.700 1.700 peak 78 spectrum 1 weight 0.10000E+01 volume 0.73506E-03 ppm1 2.608 ppm2 0.265 CV 1
ASSI { 81}
( segid "PAH3" and resid 489 and name HG2%)
( segid "SAP" and resid 189 and name HD1%)
2.900 1.100 1.100 peak 81 spectrum 1 weight 0.10000E+01 volume 0.29743E-02 ppm1 0.693 ppm2 1.003 CV 1
ASSI { 83}
( segid "PAH3" and resid 490 and name HG2%)
( segid "SAP" and resid 189 and name HD1%)
2.600 0.900 0.900 peak 83 spectrum 1 weight 0.10000E+01 volume 0.34063E-02 ppm1 0.694 ppm2 1.329 CV 1
ASSI { 84}
(( segid "PAH3" and resid 486 and name HB1 ))
( segid "SAP" and resid 189 and name HG2%)
4.500 2.500 1.500 peak 84 spectrum 1 weight 0.10000E+01 volume 0.58350E-03 ppm1 0.725 ppm2 1.796 CV 1
ASSI { 85}
(( segid "PAH3" and resid 486 and name HA ))
( segid "SAP" and resid 189 and name HG2%)
3.800 1.800 1.800 peak 85 spectrum 1 weight 0.10000E+01 volume 0.10344E-02 ppm1 0.725 ppm2 3.504 CV 1
ASSI { 86}
(( segid "PAH3" and resid 489 and name HA ))
( segid "SAP" and resid 189 and name HG2%)
5.200 3.300 0.800 peak 86 spectrum 1 weight 0.10000E+01 volume 0.52287E-03 ppm1 0.727 ppm2 3.765 CV 1
ASSI { 87}
(( segid "PAH3" and resid 489 and name HB ))
( segid "SAP" and resid 189 and name HG2%)
3.900 1.900 1.900 peak 87 spectrum 1 weight 0.10000E+01 volume 0.10003E-02 ppm1 0.724 ppm2 2.425 CV 1
ASSI { 88}
( segid "PAH3" and resid 489 and name HG1%)
( segid "SAP" and resid 189 and name HG2%)
3.000 1.100 1.100 peak 88 spectrum 1 weight 0.10000E+01 volume 0.47740E-02 ppm1 0.727 ppm2 1.096 CV 1
ASSI { 89}
( segid "PAH3" and resid 489 and name HG2%)
( segid "SAP" and resid 189 and name HG2%)
2.400 0.700 0.700 peak 89 spectrum 1 weight 0.10000E+01 volume 0.57592E-02 ppm1 0.728 ppm2 1.002 CV 1
ASSI { 90}
( segid "PAH3" and resid 490 and name HG2%)
( segid "SAP" and resid 189 and name HG2%)
3.300 1.300 1.300 peak 90 spectrum 1 weight 0.10000E+01 volume 0.57971E-03 ppm1 0.731 ppm2 1.333 CV 1
ASSI { 92}
(( segid "PAH3" and resid 482 and name HG2 ))
(( segid "SAP" and resid 191 and name HB ))
4.200 2.200 1.800 peak 92 spectrum 1 weight 0.10000E+01 volume 0.89800E-03 ppm1 1.803 ppm2 2.063 CV 1
ASSI { 94}
(( segid "PAH3" and resid 482 and name HA ))
( segid "SAP" and resid 191 and name HG1%)
3.200 1.200 1.200 peak 94 spectrum 1 weight 0.10000E+01 volume 0.27811E-02 ppm1 0.743 ppm2 3.636 CV 1
ASSI { 97}
(( segid "PAH3" and resid 482 and name HG1 ))
( segid "SAP" and resid 191 and name HG1%)
2.700 0.900 0.900 peak 97 spectrum 1 weight 0.10000E+01 volume 0.30463E-02 ppm1 0.743 ppm2 2.452 CV 1
ASSI { 98}
(( segid "PAH3" and resid 482 and name HG2 ))
( segid "SAP" and resid 191 and name HG1%)
2.800 1.000 1.000 peak 98 spectrum 1 weight 0.10000E+01 volume 0.49256E-02 ppm1 0.742 ppm2 2.062 CV 1
ASSI { 99}
(( segid "PAH3" and resid 483 and name HA ))
( segid "SAP" and resid 191 and name HG1%)
3.900 1.900 1.900 peak 99 spectrum 1 weight 0.10000E+01 volume 0.10533E-02 ppm1 0.742 ppm2 4.498 CV 1
ASSI { 100}
(( segid "PAH3" and resid 485 and name HG ))
( segid "SAP" and resid 191 and name HG1%)
4.000 2.000 2.000 peak 100 spectrum 1 weight 0.10000E+01 volume 0.17012E-02 ppm1 0.744 ppm2 1.215 CV 1
ASSI { 101}
( segid "PAH3" and resid 485 and name HD2%)
( segid "SAP" and resid 191 and name HG1%)
3.600 1.600 1.600 peak 101 spectrum 1 weight 0.10000E+01 volume 0.39027E-02 ppm1 0.745 ppm2 0.463 CV 1
ASSI { 102}
( segid "PAH3" and resid 489 and name HG1%)
( segid "SAP" and resid 191 and name HG1%)
2.400 2.400 3.600 peak 102 spectrum 1 weight 0.10000E+01 volume 0.33987E-02 ppm1 0.744 ppm2 1.106 CV 1
ASSI { 104}
( segid "PAH3" and resid 481 and name HE% )
( segid "SAP" and resid 191 and name HG2%)
5.600 3.900 0.400 peak 104 spectrum 1 weight 0.10000E+01 volume 0.61002E-03 ppm1 0.674 ppm2 6.716 CV 1
ASSI { 105}
(( segid "PAH3" and resid 482 and name HA ))
( segid "SAP" and resid 191 and name HG2%)
3.400 1.400 1.400 peak 105 spectrum 1 weight 0.10000E+01 volume 0.31978E-02 ppm1 0.677 ppm2 3.643 CV 1
ASSI { 107}
(( segid "PAH3" and resid 482 and name HG2 ))
( segid "SAP" and resid 191 and name HG2%)
3.300 1.300 1.300 peak 107 spectrum 1 weight 0.10000E+01 volume 0.38269E-02 ppm1 0.676 ppm2 2.076 CV 1
ASSI { 109}
(( segid "PAH3" and resid 485 and name HB1 ))
( segid "SAP" and resid 191 and name HG2%)
2.300 0.700 0.700 peak 109 spectrum 1 weight 0.10000E+01 volume 0.56076E-02 ppm1 0.675 ppm2 1.969 CV 1
ASSI { 110}
(( segid "PAH3" and resid 485 and name HB2 ))
( segid "SAP" and resid 191 and name HG2%)
2.600 0.800 0.800 peak 110 spectrum 1 weight 0.10000E+01 volume 0.48498E-02 ppm1 0.672 ppm2 0.948 CV 1
ASSI { 111}
( segid "PAH3" and resid 485 and name HD2%)
( segid "SAP" and resid 191 and name HG2%)
3.100 1.200 1.200 peak 111 spectrum 1 weight 0.10000E+01 volume 0.82222E-02 ppm1 0.679 ppm2 0.459 CV 1
ASSI { 112}
( segid "PAH3" and resid 485 and name HD1%)
(( segid "SAP" and resid 193 and name HA ))
2.800 1.000 1.000 peak 112 spectrum 1 weight 0.10000E+01 volume 0.17695E-02 ppm1 3.529 ppm2 0.543 CV 1
ASSI { 113}
( segid "PAH3" and resid 485 and name HD2%)
(( segid "SAP" and resid 193 and name HA ))
3.000 1.100 1.100 peak 113 spectrum 1 weight 0.10000E+01 volume 0.34859E-02 ppm1 3.531 ppm2 0.457 CV 1
ASSI { 114}
( segid "PAH3" and resid 485 and name HD2%)
(( segid "SAP" and resid 193 and name HG1 ))
3.100 1.200 1.200 peak 114 spectrum 1 weight 0.10000E+01 volume 0.21559E-02 ppm1 2.209 ppm2 0.468 CV 1
ASSI { 115}
( segid "PAH3" and resid 485 and name HD2%)
(( segid "SAP" and resid 193 and name HG2 ))
2.600 0.900 0.900 peak 115 spectrum 1 weight 0.10000E+01 volume 0.22128E-02 ppm1 2.094 ppm2 0.469 CV 1
ASSI { 116}
( segid "PAH3" and resid 485 and name HD2%)
(( segid "SAP" and resid 193 and name HB1 ))
2.600 0.800 0.800 peak 116 spectrum 1 weight 0.10000E+01 volume 0.24780E-02 ppm1 2.044 ppm2 0.466 CV 1
OR { 116}
( segid "PAH3" and resid 485 and name HD2%)
(( segid "SAP" and resid 193 and name HB2 ))
ASSI { 117}
(( segid "PAH3" and resid 485 and name HA ))
( segid "SAP" and resid 196 and name HG2%)
3.000 1.100 1.100 peak 117 spectrum 1 weight 0.10000E+01 volume 0.18945E-02 ppm1 1.046 ppm2 3.445 CV 1
ASSI { 118}
( segid "PAH3" and resid 485 and name HD1%)
( segid "SAP" and resid 196 and name HG2%)
3.300 1.400 1.400 peak 118 spectrum 1 weight 0.10000E+01 volume 0.47362E-02 ppm1 1.045 ppm2 0.550 CV 1
ASSI { 119}
( segid "PAH3" and resid 485 and name HD2%)
( segid "SAP" and resid 196 and name HG2%)
2.800 0.900 0.900 peak 119 spectrum 1 weight 0.10000E+01 volume 0.37586E-02 ppm1 1.045 ppm2 0.456 CV 1
ASSI { 120}
(( segid "PAH3" and resid 488 and name HA ))
( segid "SAP" and resid 196 and name HG2%)
4.300 2.300 1.700 peak 120 spectrum 1 weight 0.10000E+01 volume 0.13906E-02 ppm1 1.048 ppm2 3.851 CV 1
ASSI { 122}
( segid "PAH3" and resid 488 and name HD1%)
( segid "SAP" and resid 196 and name HG2%)
2.700 0.900 0.900 peak 122 spectrum 1 weight 0.10000E+01 volume 0.35351E-02 ppm1 1.045 ppm2 0.223 CV 1
ASSI { 124}
(( segid "PAH3" and resid 489 and name HA ))
( segid "SAP" and resid 196 and name HG2%)
3.200 1.300 1.300 peak 124 spectrum 1 weight 0.10000E+01 volume 0.21900E-02 ppm1 1.044 ppm2 3.764 CV 1
ASSI { 127}
( segid "PAH3" and resid 485 and name HD2%)
(( segid "SAP" and resid 197 and name HG ))
3.400 1.400 1.400 peak 127 spectrum 1 weight 0.10000E+01 volume 0.74263E-03 ppm1 1.463 ppm2 0.463 CV 1
ASSI { 129}
( segid "PAH3" and resid 468 and name HD% )
( segid "SAP" and resid 197 and name HD1%)
3.300 1.300 1.300 peak 129 spectrum 1 weight 0.10000E+01 volume 0.21635E-02 ppm1 0.603 ppm2 7.582 CV 1
ASSI { 130}
( segid "PAH3" and resid 468 and name HE% )
( segid "SAP" and resid 197 and name HD1%)
3.700 1.700 1.700 peak 130 spectrum 1 weight 0.10000E+01 volume 0.15724E-02 ppm1 0.600 ppm2 7.442 CV 1
ASSI { 132}
( segid "PAH3" and resid 481 and name HE% )
( segid "SAP" and resid 197 and name HD1%)
4.500 2.500 1.500 peak 132 spectrum 1 weight 0.10000E+01 volume 0.48498E-03 ppm1 0.604 ppm2 6.708 CV 1
ASSI { 134}
( segid "PAH3" and resid 485 and name HD2%)
( segid "SAP" and resid 197 and name HD1%)
3.600 1.600 1.600 peak 134 spectrum 1 weight 0.10000E+01 volume 0.17089E-02 ppm1 0.602 ppm2 0.455 CV 1
ASSI { 136}
( segid "PAH3" and resid 468 and name HD% )
( segid "SAP" and resid 197 and name HD2%)
2.800 1.000 1.000 peak 136 spectrum 1 weight 0.10000E+01 volume 0.30236E-02 ppm1 -0.046 ppm2 7.569 CV 1
OR { 136}
(( segid "PAH3" and resid 468 and name HZ ))
( segid "SAP" and resid 197 and name HD2%)
ASSI { 137}
( segid "PAH3" and resid 468 and name HE% )
( segid "SAP" and resid 197 and name HD2%)
2.600 0.900 0.900 peak 137 spectrum 1 weight 0.10000E+01 volume 0.42816E-02 ppm1 -0.039 ppm2 7.449 CV 1
ASSI { 138}
( segid "PAH3" and resid 484 and name HE% )
( segid "SAP" and resid 197 and name HD2%)
3.300 1.300 1.300 peak 138 spectrum 1 weight 0.10000E+01 volume 0.14777E-02 ppm1 -0.043 ppm2 6.935 CV 1
ASSI { 139}
( segid "PAH3" and resid 485 and name HD1%)
( segid "SAP" and resid 197 and name HD2%)
3.000 1.100 1.100 peak 139 spectrum 1 weight 0.10000E+01 volume 0.70853E-02 ppm1 -0.042 ppm2 0.540 CV 1
ASSI { 141}
( segid "PAH3" and resid 488 and name HD1%)
( segid "SAP" and resid 197 and name HD2%)
2.600 0.900 0.900 peak 141 spectrum 1 weight 0.10000E+01 volume 0.50772E-02 ppm1 -0.046 ppm2 0.217 CV 1
ASSI { 145}
( segid "PAH3" and resid 522 and name HD% )
(( segid "SAP" and resid 201 and name HA ))
5.800 4.100 0.200 peak 145 spectrum 1 weight 0.10000E+01 volume 0.25235E-03 ppm1 3.648 ppm2 6.813 CV 1
ASSI { 146}
( segid "PAH3" and resid 522 and name HE% )
(( segid "SAP" and resid 201 and name HA ))
2.900 1.100 1.100 peak 146 spectrum 1 weight 0.10000E+01 volume 0.28683E-02 ppm1 3.648 ppm2 7.096 CV 1
ASSI { 147}
(( segid "PAH3" and resid 522 and name HZ ))
(( segid "SAP" and resid 201 and name HA ))
2.600 0.900 0.900 peak 147 spectrum 1 weight 0.10000E+01 volume 0.34101E-02 ppm1 3.649 ppm2 7.241 CV 1
ASSI { 148}
(( segid "PAH3" and resid 464 and name HA ))
( segid "SAP" and resid 201 and name HD1%)
4.400 2.500 1.600 peak 148 spectrum 1 weight 0.10000E+01 volume 0.93962E-03 ppm1 1.046 ppm2 4.078 CV 1
ASSI { 149}
(( segid "PAH3" and resid 464 and name HB1 ))
( segid "SAP" and resid 201 and name HD1%)
3.200 1.200 1.200 peak 149 spectrum 1 weight 0.10000E+01 volume 0.14208E-02 ppm1 1.046 ppm2 2.294 CV 1
ASSI { 150}
(( segid "PAH3" and resid 464 and name HB2 ))
( segid "SAP" and resid 201 and name HD1%)
3.900 1.900 1.900 peak 150 spectrum 1 weight 0.10000E+01 volume 0.10685E-02 ppm1 1.042 ppm2 2.056 CV 1
ASSI { 151}
(( segid "PAH3" and resid 464 and name HG1 ))
( segid "SAP" and resid 201 and name HD1%)
4.200 2.200 1.800 peak 151 spectrum 1 weight 0.10000E+01 volume 0.10192E-02 ppm1 1.043 ppm2 2.629 CV 1
ASSI { 152}
(( segid "PAH3" and resid 464 and name HG2 ))
( segid "SAP" and resid 201 and name HD1%)
3.600 1.600 1.600 peak 152 spectrum 1 weight 0.10000E+01 volume 0.11708E-02 ppm1 1.041 ppm2 2.405 CV 1
ASSI { 153}
( segid "PAH3" and resid 468 and name HD% )
( segid "SAP" and resid 201 and name HD1%)
3.500 1.500 1.500 peak 153 spectrum 1 weight 0.10000E+01 volume 0.25007E-02 ppm1 1.043 ppm2 7.591 CV 1
ASSI { 154}
( segid "PAH3" and resid 468 and name HE% )
( segid "SAP" and resid 201 and name HD1%)
2.600 0.900 0.900 peak 154 spectrum 1 weight 0.10000E+01 volume 0.33153E-02 ppm1 1.044 ppm2 7.442 CV 1
ASSI { 155}
( segid "PAH3" and resid 522 and name HD% )
( segid "SAP" and resid 201 and name HD1%)
3.500 3.500 2.500 peak 155 spectrum 1 weight 0.10000E+01 volume 0.37890E-03 ppm1 1.040 ppm2 6.829 CV 1
ASSI { 156}
( segid "PAH3" and resid 522 and name HE% )
( segid "SAP" and resid 201 and name HD1%)
2.800 2.800 3.200 peak 156 spectrum 1 weight 0.10000E+01 volume 0.14285E-02 ppm1 1.043 ppm2 7.088 CV 1
ASSI { 157}
(( segid "PAH3" and resid 522 and name HZ ))
( segid "SAP" and resid 201 and name HD1%)
2.900 2.900 3.100 peak 157 spectrum 1 weight 0.10000E+01 volume 0.13185E-02 ppm1 1.045 ppm2 7.239 CV 1
ASSI { 158}
(( segid "PAH3" and resid 464 and name HA ))
( segid "SAP" and resid 201 and name HG2%)
5.500 3.800 0.500 peak 158 spectrum 1 weight 0.10000E+01 volume 0.25841E-03 ppm1 1.029 ppm2 4.065 CV 1
ASSI { 159}
(( segid "PAH3" and resid 464 and name HB2 ))
( segid "SAP" and resid 201 and name HG2%)
4.500 2.500 1.500 peak 159 spectrum 1 weight 0.10000E+01 volume 0.53045E-03 ppm1 1.029 ppm2 2.060 CV 1
ASSI { 160}
(( segid "PAH3" and resid 464 and name HG1 ))
( segid "SAP" and resid 201 and name HG2%)
4.100 2.100 1.900 peak 160 spectrum 1 weight 0.10000E+01 volume 0.81459E-03 ppm1 1.031 ppm2 2.625 CV 1
ASSI { 161}
(( segid "PAH3" and resid 464 and name HG2 ))
( segid "SAP" and resid 201 and name HG2%)
3.700 1.700 1.700 peak 161 spectrum 1 weight 0.10000E+01 volume 0.56455E-03 ppm1 1.031 ppm2 2.417 CV 1
ASSI { 162}
( segid "PAH3" and resid 468 and name HE% )
( segid "SAP" and resid 201 and name HG2%)
5.400 3.600 0.600 peak 162 spectrum 1 weight 0.10000E+01 volume 0.46226E-03 ppm1 1.035 ppm2 7.442 CV 1
ASSI { 163}
( segid "PAH3" and resid 522 and name HE% )
( segid "SAP" and resid 201 and name HG2%)
3.800 1.800 1.800 peak 163 spectrum 1 weight 0.10000E+01 volume 0.15687E-02 ppm1 1.031 ppm2 7.083 CV 1
ASSI { 164}
(( segid "PAH3" and resid 522 and name HZ ))
( segid "SAP" and resid 201 and name HG2%)
2.900 1.000 1.000 peak 164 spectrum 1 weight 0.10000E+01 volume 0.27432E-02 ppm1 1.031 ppm2 7.245 CV 1
ASSI { 165}
( segid "PAH3" and resid 522 and name HE% )
(( segid "SAP" and resid 204 and name HB ))
2.900 1.000 1.000 peak 165 spectrum 1 weight 0.10000E+01 volume 0.24780E-02 ppm1 1.550 ppm2 7.096 CV 1
ASSI { 166}
(( segid "PAH3" and resid 522 and name HZ ))
(( segid "SAP" and resid 204 and name HB ))
3.100 1.200 1.200 peak 166 spectrum 1 weight 0.10000E+01 volume 0.15118E-02 ppm1 1.543 ppm2 7.243 CV 1
ASSI { 167}
( segid "PAH3" and resid 522 and name HD% )
( segid "SAP" and resid 204 and name HG1%)
3.100 1.200 1.200 peak 167 spectrum 1 weight 0.10000E+01 volume 0.21559E-02 ppm1 0.321 ppm2 6.817 CV 1
ASSI { 168}
( segid "PAH3" and resid 522 and name HE% )
( segid "SAP" and resid 204 and name HG1%)
2.900 1.000 1.000 peak 168 spectrum 1 weight 0.10000E+01 volume 0.64791E-02 ppm1 0.319 ppm2 7.103 CV 1
ASSI { 170}
( segid "PAH3" and resid 523 and name HD1%)
( segid "SAP" and resid 204 and name HG1%)
2.800 1.000 1.000 peak 170 spectrum 1 weight 0.10000E+01 volume 0.54940E-02 ppm1 0.324 ppm2 0.494 CV 1
ASSI { 171}
( segid "PAH3" and resid 522 and name HD% )
( segid "SAP" and resid 204 and name HG2%)
3.100 1.200 1.200 peak 171 spectrum 1 weight 0.10000E+01 volume 0.23946E-02 ppm1 -0.014 ppm2 6.815 CV 1
ASSI { 174}
(( segid "PAH3" and resid 523 and name HA ))
( segid "SAP" and resid 204 and name HG2%)
3.100 1.200 1.200 peak 174 spectrum 1 weight 0.10000E+01 volume 0.42816E-02 ppm1 -0.012 ppm2 3.698 CV 1
ASSI { 175}
( segid "PAH3" and resid 523 and name HD1%)
( segid "SAP" and resid 204 and name HG2%)
2.900 1.000 1.000 peak 175 spectrum 1 weight 0.10000E+01 volume 0.43194E-02 ppm1 -0.011 ppm2 0.484 CV 1
ASSI { 176}
( segid "PAH3" and resid 523 and name HD2%)
( segid "SAP" and resid 204 and name HG2%)
3.200 1.300 1.300 peak 176 spectrum 1 weight 0.10000E+01 volume 0.20915E-02 ppm1 -0.010 ppm2 0.351 CV 1
ASSI { 177}
( segid "PAH3" and resid 522 and name HD% )
(( segid "SAP" and resid 205 and name HD1 ))
5.100 3.200 0.900 peak 177 spectrum 1 weight 0.10000E+01 volume 0.25121E-03 ppm1 3.136 ppm2 6.837 CV 1
OR { 177}
( segid "PAH3" and resid 522 and name HD% )
(( segid "SAP" and resid 205 and name HD2 ))
ASSI { 178}
( segid "PAH3" and resid 522 and name HE% )
(( segid "SAP" and resid 205 and name HD1 ))
3.700 1.800 1.800 peak 178 spectrum 1 weight 0.10000E+01 volume 0.81841E-03 ppm1 3.130 ppm2 7.094 CV 1
OR { 178}
( segid "PAH3" and resid 522 and name HE% )
(( segid "SAP" and resid 205 and name HD2 ))
ASSI { 179}
(( segid "PAH3" and resid 522 and name HZ ))
(( segid "SAP" and resid 205 and name HD1 ))
4.000 2.000 2.000 peak 179 spectrum 1 weight 0.10000E+01 volume 0.62896E-03 ppm1 3.132 ppm2 7.237 CV 1
OR { 179}
(( segid "PAH3" and resid 522 and name HZ ))
(( segid "SAP" and resid 205 and name HD2 ))
ASSI { 181}
( segid "PAH3" and resid 508 and name HE% )
(( segid "SAP" and resid 148 and name HB ))
2.800 1.000 1.000 peak 181 spectrum 1 weight 0.10000E+01 volume 0.14625E-02 ppm1 1.833 ppm2 7.423 CV 1
ASSI { 182}
( segid "PAH3" and resid 522 and name HD% )
(( segid "SAP" and resid 204 and name HB ))
4.700 2.700 1.300 peak 182 spectrum 1 weight 0.10000E+01 volume 0.35351E-03 ppm1 1.550 ppm2 6.837 CV 1
ASSI { 183}
( segid "PAH3" and resid 508 and name HE% )
(( segid "SAP" and resid 147 and name HB2 ))
2.700 2.700 3.300 peak 183 spectrum 1 weight 0.10000E+01 volume 0.17846E-02 ppm1 1.750 ppm2 7.430 CV 1
ASSI { 185}
(( segid "PAH3" and resid 498 and name HB1 ))
(( segid "SAP" and resid 208 and name HB2 ))
4.700 2.800 1.300 peak 185 spectrum 1 weight 0.10000E+01 volume 0.33267E-03 ppm1 1.750 ppm2 2.095 CV 1
ASSI { 186}
(( segid "PAH3" and resid 498 and name HG1 ))
(( segid "SAP" and resid 208 and name HB2 ))
3.900 1.900 1.900 peak 186 spectrum 1 weight 0.10000E+01 volume 0.67064E-03 ppm1 1.756 ppm2 2.244 CV 1
ASSI { 198}
(( segid "PAH3" and resid 508 and name HA ))
(( segid "SAP" and resid 146 and name HB2 ))
3.600 1.600 1.600 peak 198 spectrum 1 weight 0.10000E+01 volume 0.10306E-02 ppm1 1.061 ppm2 4.357 CV 1
ASSI { 200}
(( segid "PAH3" and resid 508 and name HA ))
(( segid "SAP" and resid 146 and name HB1 ))
3.200 1.300 1.300 peak 200 spectrum 1 weight 0.10000E+01 volume 0.14550E-02 ppm1 1.764 ppm2 4.355 CV 1
ASSI { 201}
(( segid "PAH3" and resid 507 and name HB1 ))
(( segid "SAP" and resid 146 and name HB1 ))
3.900 1.900 1.900 peak 201 spectrum 1 weight 0.10000E+01 volume 0.88664E-03 ppm1 1.758 ppm2 2.212 CV 1
ASSI { 202}
(( segid "PAH3" and resid 507 and name HG2 ))
(( segid "SAP" and resid 146 and name HB1 ))
4.600 2.600 1.400 peak 202 spectrum 1 weight 0.10000E+01 volume 0.64791E-03 ppm1 1.761 ppm2 1.946 CV 1
OR { 202}
(( segid "PAH3" and resid 507 and name HG1 ))
(( segid "SAP" and resid 146 and name HB1 ))
ASSI { 203}
(( segid "PAH3" and resid 507 and name HG2 ))
(( segid "SAP" and resid 146 and name HB2 ))
4.800 2.900 1.200 peak 203 spectrum 1 weight 0.10000E+01 volume 0.51151E-03 ppm1 1.059 ppm2 1.932 CV 1
OR { 203}
(( segid "PAH3" and resid 507 and name HG1 ))
(( segid "SAP" and resid 146 and name HB2 ))
ASSI { 204}
(( segid "PAH3" and resid 507 and name HB1 ))
(( segid "SAP" and resid 146 and name HB2 ))
4.600 2.600 1.400 peak 204 spectrum 1 weight 0.10000E+01 volume 0.66685E-03 ppm1 1.071 ppm2 2.214 CV 1
ASSI { 205}
( segid "PAH3" and resid 480 and name HB% )
(( segid "SAP" and resid 146 and name HB1 ))
5.600 4.000 0.400 peak 205 spectrum 1 weight 0.10000E+01 volume 0.33722E-03 ppm1 1.758 ppm2 1.663 CV 1
ASSI { 206}
(( segid "PAH3" and resid 507 and name HB2 ))
(( segid "SAP" and resid 146 and name HB1 ))
2.800 1.000 1.000 peak 206 spectrum 1 weight 0.10000E+01 volume 0.20688E-02 ppm1 1.761 ppm2 1.048 CV 1
ASSI { 211}
(( segid "PAH3" and resid 508 and name HA ))
(( segid "SAP" and resid 146 and name HG2 ))
2.900 1.000 1.000 peak 211 spectrum 1 weight 0.10000E+01 volume 0.34214E-02 ppm1 1.868 ppm2 4.350 CV 1
OR { 211}
(( segid "PAH3" and resid 508 and name HA ))
(( segid "SAP" and resid 146 and name HG1 ))
ASSI { 212}
(( segid "PAH3" and resid 480 and name HA ))
(( segid "SAP" and resid 146 and name HG2 ))
4.300 2.300 1.700 peak 212 spectrum 1 weight 0.10000E+01 volume 0.10647E-02 ppm1 1.870 ppm2 4.479 CV 1
OR { 212}
(( segid "PAH3" and resid 480 and name HA ))
(( segid "SAP" and resid 146 and name HG1 ))
ASSI { 213}
( segid "PAH3" and resid 475 and name HD2%)
(( segid "SAP" and resid 146 and name HG2 ))
4.300 2.300 1.700 peak 213 spectrum 1 weight 0.10000E+01 volume 0.76161E-03 ppm1 1.875 ppm2 0.672 CV 1
OR { 213}
( segid "PAH3" and resid 475 and name HD2%)
(( segid "SAP" and resid 146 and name HG1 ))
ASSI { 214}
( segid "PAH3" and resid 508 and name HD% )
(( segid "SAP" and resid 146 and name HD2 ))
4.600 2.600 1.400 peak 214 spectrum 1 weight 0.10000E+01 volume 0.48498E-03 ppm1 3.708 ppm2 7.206 CV 1
ASSI { 215}
( segid "PAH3" and resid 508 and name HE% )
(( segid "SAP" and resid 146 and name HD2 ))
4.100 2.100 1.900 peak 215 spectrum 1 weight 0.10000E+01 volume 0.46604E-03 ppm1 3.695 ppm2 7.432 CV 1
ASSI { 219}
(( segid "PAH3" and resid 518 and name HH2 ))
( segid "SAP" and resid 201 and name HD1%)
3.700 1.700 1.700 peak 219 spectrum 1 weight 0.10000E+01 volume 0.29743E-03 ppm1 1.046 ppm2 5.949 CV 1
ASSI { 224}
(( segid "PAH3" and resid 503 and name HE22))
(( segid "SAP" and resid 152 and name HG2 ))
3.600 1.600 1.600 peak 224 spectrum 1 weight 0.10000E+01 volume 0.35238E-03 ppm1 2.324 ppm2 6.678 CV 1
OR { 224}
(( segid "PAH3" and resid 503 and name HE22))
(( segid "SAP" and resid 152 and name HG1 ))
ASSI { 225}
(( segid "PAH3" and resid 480 and name HA ))
(( segid "SAP" and resid 146 and name HB1 ))
5.900 4.300 0.100 peak 225 spectrum 1 weight 0.10000E+01 volume 0.33267E-03 ppm1 1.770 ppm2 4.493 CV 1
ASSI { 226}
( segid "PAH3" and resid 495 and name HG1%)
(( segid "SAP" and resid 164 and name HB2 ))
4.700 2.800 1.300 peak 226 spectrum 1 weight 0.10000E+01 volume 0.25348E-03 ppm1 2.611 ppm2 0.914 CV 1
ASSI { 228}
(( segid "PAH3" and resid 522 and name HZ ))
(( segid "SAP" and resid 201 and name HG12))
4.000 2.000 2.000 peak 228 spectrum 1 weight 0.10000E+01 volume 0.52287E-03 ppm1 1.346 ppm2 7.244 CV 1
ASSI { 229}
(( segid "PAH3" and resid 522 and name HZ ))
(( segid "SAP" and resid 201 and name HG11))
5.000 3.100 1.000 peak 229 spectrum 1 weight 0.10000E+01 volume 0.49256E-03 ppm1 2.201 ppm2 7.250 CV 1
ASSI { 230}
( segid "PAH3" and resid 522 and name HE% )
(( segid "SAP" and resid 201 and name HG12))
4.200 2.200 1.800 peak 230 spectrum 1 weight 0.10000E+01 volume 0.40921E-03 ppm1 1.345 ppm2 7.107 CV 1
ASSI { 231}
(( segid "PAH3" and resid 464 and name HG1 ))
(( segid "SAP" and resid 201 and name HG12))
4.500 2.500 1.500 peak 231 spectrum 1 weight 0.10000E+01 volume 0.28304E-03 ppm1 1.353 ppm2 2.624 CV 1
ASSI { 232}
( segid "PAH3" and resid 481 and name HE% )
(( segid "SAP" and resid 193 and name HB2 ))
4.300 2.400 1.700 peak 232 spectrum 1 weight 0.10000E+01 volume 0.37208E-03 ppm1 2.062 ppm2 6.703 CV 1
ASSI { 233}
( segid "PAH3" and resid 495 and name HG1%)
(( segid "SAP" and resid 160 and name HB2 ))
3.200 1.300 1.300 peak 233 spectrum 1 weight 0.10000E+01 volume 0.69338E-03 ppm1 2.142 ppm2 0.928 CV 1
ASSI { 234}
( segid "PAH3" and resid 468 and name HE% )
(( segid "SAP" and resid 201 and name HG11))
4.100 2.100 1.900 peak 234 spectrum 1 weight 0.10000E+01 volume 0.78052E-03 ppm1 2.204 ppm2 7.426 CV 1
ASSI { 235}
( segid "PAH3" and resid 495 and name HG1%)
(( segid "SAP" and resid 160 and name HB1 ))
3.500 1.500 1.500 peak 235 spectrum 1 weight 0.10000E+01 volume 0.55318E-03 ppm1 2.234 ppm2 0.930 CV 1
ASSI { 236}
( segid "PAH3" and resid 504 and name HD2%)
(( segid "SAP" and resid 152 and name HB2 ))
3.700 1.700 1.700 peak 236 spectrum 1 weight 0.10000E+01 volume 0.65928E-03 ppm1 1.962 ppm2 0.719 CV 1
ASSI { 237}
( segid "PAH3" and resid 504 and name HD2%)
(( segid "SAP" and resid 152 and name HB1 ))
3.400 1.400 1.400 peak 237 spectrum 1 weight 0.10000E+01 volume 0.53803E-03 ppm1 2.123 ppm2 0.715 CV 1
ASSI { 240}
(( segid "PAH3" and resid 511 and name HE2 ))
(( segid "SAP" and resid 146 and name HG1 ))
3.600 1.600 1.600 peak 240 spectrum 1 weight 0.10000E+01 volume 0.50393E-03 ppm1 1.879 ppm2 2.879 CV 1
OR { 240}
(( segid "PAH3" and resid 511 and name HE1 ))
(( segid "SAP" and resid 146 and name HG1 ))
OR { 240}
(( segid "PAH3" and resid 511 and name HE2 ))
(( segid "SAP" and resid 146 and name HG2 ))
ASSI { 241}
( segid "PAH3" and resid 522 and name HE% )
(( segid "SAP" and resid 205 and name HG2 ))
3.800 1.800 1.800 peak 241 spectrum 1 weight 0.10000E+01 volume 0.70096E-03 ppm1 1.610 ppm2 7.093 CV 1
ASSI { 242}
(( segid "PAH3" and resid 522 and name HZ ))
(( segid "SAP" and resid 205 and name HG2 ))
3.700 1.700 1.700 peak 242 spectrum 1 weight 0.10000E+01 volume 0.81086E-03 ppm1 1.613 ppm2 7.240 CV 1
ASSI { 243}
( segid "PAH3" and resid 522 and name HD% )
(( segid "SAP" and resid 205 and name HG2 ))
5.200 3.300 0.800 peak 243 spectrum 1 weight 0.10000E+01 volume 0.21142E-03 ppm1 1.607 ppm2 6.817 CV 1
ASSI { 244}
( segid "PAH3" and resid 522 and name HE% )
(( segid "SAP" and resid 205 and name HG1 ))
3.800 1.800 1.800 peak 244 spectrum 1 weight 0.10000E+01 volume 0.79188E-03 ppm1 1.829 ppm2 7.090 CV 1
ASSI { 249}
( segid "PAH3" and resid 504 and name HD1%)
( segid "SAP" and resid 153 and name HD2%)
2.400 0.700 0.700 peak 249 spectrum 1 weight 0.10000E+01 volume 0.52666E-02 ppm1 0.757 ppm2 0.804 CV 1
ASSI { 250}
( segid "PAH3" and resid 471 and name HG2%)
( segid "SAP" and resid 197 and name HD1%)
4.700 2.800 1.300 peak 250 spectrum 1 weight 0.10000E+01 volume 0.28304E-03 ppm1 0.605 ppm2 0.003 CV 1
ASSI { 251}
(( segid "PAH3" and resid 472 and name HG2 ))
( segid "SAP" and resid 197 and name HD1%)
3.900 1.900 1.900 peak 251 spectrum 1 weight 0.10000E+01 volume 0.64033E-03 ppm1 0.604 ppm2 0.793 CV 1
ASSI { 252}
(( segid "PAH3" and resid 485 and name HG ))
( segid "SAP" and resid 197 and name HD1%)
5.400 3.600 0.600 peak 252 spectrum 1 weight 0.10000E+01 volume 0.31259E-03 ppm1 0.602 ppm2 1.221 CV 1
ASSI { 254}
(( segid "PAH3" and resid 468 and name HB1 ))
( segid "SAP" and resid 197 and name HD1%)
3.200 1.300 1.300 peak 254 spectrum 1 weight 0.10000E+01 volume 0.15914E-02 ppm1 0.602 ppm2 3.612 CV 1
ASSI { 255}
(( segid "PAH3" and resid 465 and name HB2 ))
( segid "SAP" and resid 197 and name HD1%)
4.500 2.500 1.500 peak 255 spectrum 1 weight 0.10000E+01 volume 0.40163E-03 ppm1 0.601 ppm2 3.988 CV 1
OR { 255}
(( segid "PAH3" and resid 465 and name HB1 ))
( segid "SAP" and resid 197 and name HD1%)
ASSI { 257}
(( segid "PAH3" and resid 504 and name HG ))
( segid "SAP" and resid 153 and name HD2%)
4.100 2.100 1.900 peak 257 spectrum 1 weight 0.10000E+01 volume 0.31032E-03 ppm1 0.764 ppm2 1.986 CV 1
OR { 257}
(( segid "PAH3" and resid 504 and name HB1 ))
( segid "SAP" and resid 153 and name HD2%)
ASSI { 263}
( segid "PAH3" and resid 495 and name HG2%)
( segid "SAP" and resid 157 and name HG2%)
5.400 3.600 0.600 peak 263 spectrum 1 weight 0.10000E+01 volume 0.35919E-03 ppm1 1.457 ppm2 0.272 CV 1
ASSI { 266}
(( segid "PAH3" and resid 504 and name HG ))
( segid "SAP" and resid 157 and name HG2%)
3.100 3.100 2.900 peak 266 spectrum 1 weight 0.10000E+01 volume 0.82977E-03 ppm1 1.457 ppm2 1.986 CV 1
OR { 266}
(( segid "PAH3" and resid 504 and name HB1 ))
( segid "SAP" and resid 157 and name HG2%)
ASSI { 269}
(( segid "PAH3" and resid 495 and name HA ))
( segid "SAP" and resid 157 and name HG2%)
5.100 3.300 0.900 peak 269 spectrum 1 weight 0.10000E+01 volume 0.22431E-03 ppm1 1.450 ppm2 3.476 CV 1
ASSI { 270}
(( segid "PAH3" and resid 497 and name HN ))
( segid "SAP" and resid 157 and name HG2%)
4.600 2.700 1.400 peak 270 spectrum 1 weight 0.10000E+01 volume 0.37208E-03 ppm1 1.456 ppm2 9.676 CV 1
ASSI { 298}
(( segid "PAH3" and resid 489 and name HB ))
( segid "SAP" and resid 196 and name HG2%)
5.300 3.500 0.700 peak 298 spectrum 1 weight 0.10000E+01 volume 0.44331E-03 ppm1 1.046 ppm2 2.437 CV 1
ASSI { 299}
(( segid "PAH3" and resid 485 and name HB1 ))
( segid "SAP" and resid 196 and name HG2%)
3.200 1.300 1.300 peak 299 spectrum 1 weight 0.10000E+01 volume 0.52666E-03 ppm1 1.049 ppm2 1.973 CV 1
ASSI { 302}
(( segid "PAH3" and resid 523 and name HA ))
( segid "SAP" and resid 204 and name HG1%)
3.200 1.300 1.300 peak 302 spectrum 1 weight 0.10000E+01 volume 0.14057E-02 ppm1 0.320 ppm2 3.696 CV 1
ASSI { 303}
( segid "PAH3" and resid 523 and name HD2%)
( segid "SAP" and resid 204 and name HG1%)
2.900 1.100 1.100 peak 303 spectrum 1 weight 0.10000E+01 volume 0.12011E-02 ppm1 0.318 ppm2 0.343 CV 1
ASSI { 304}
( segid "PAH3" and resid 488 and name HD2%)
( segid "SAP" and resid 204 and name HG1%)
4.400 2.500 1.600 peak 304 spectrum 1 weight 0.10000E+01 volume 0.58350E-03 ppm1 0.319 ppm2 0.010 CV 1
ASSI { 305}
(( segid "PAH3" and resid 523 and name HG ))
( segid "SAP" and resid 204 and name HG1%)
3.800 1.800 1.800 peak 305 spectrum 1 weight 0.10000E+01 volume 0.69338E-03 ppm1 0.323 ppm2 1.349 CV 1
ASSI { 307}
( segid "PAH3" and resid 489 and name HG1%)
( segid "SAP" and resid 191 and name HG2%)
2.500 0.800 0.800 peak 307 spectrum 1 weight 0.10000E+01 volume 0.57592E-02 ppm1 0.675 ppm2 1.099 CV 1
ASSI { 323}
(( segid "PAH3" and resid 485 and name HB2 ))
(( segid "SAP" and resid 191 and name HB ))
5.000 3.200 1.000 peak 323 spectrum 1 weight 0.10000E+01 volume 0.26068E-03 ppm1 1.803 ppm2 0.953 CV 1
ASSI { 324}
(( segid "PAH3" and resid 492 and name HA ))
(( segid "SAP" and resid 199 and name HB2 ))
5.500 3.800 0.500 peak 324 spectrum 1 weight 0.10000E+01 volume 0.32168E-03 ppm1 2.937 ppm2 4.361 CV 1
ASSI { 325}
(( segid "PAH3" and resid 489 and name HA ))
(( segid "SAP" and resid 199 and name HB2 ))
5.100 3.200 0.900 peak 325 spectrum 1 weight 0.10000E+01 volume 0.13489E-03 ppm1 2.939 ppm2 3.779 CV 1
ASSI { 326}
(( segid "PAH3" and resid 489 and name HA ))
(( segid "SAP" and resid 199 and name HB1 ))
4.900 2.900 1.100 peak 326 spectrum 1 weight 0.10000E+01 volume 0.16823E-03 ppm1 3.176 ppm2 3.758 CV 1
ASSI { 327}
( segid "PAH3" and resid 488 and name HD2%)
(( segid "SAP" and resid 199 and name HB2 ))
5.800 4.200 0.200 peak 327 spectrum 1 weight 0.10000E+01 volume 0.15497E-03 ppm1 2.941 ppm2 0.047 CV 1
ASSI { 328}
(( segid "PAH3" and resid 501 and name HN ))
( segid "SAP" and resid 157 and name HG2%)
4.000 2.000 2.000 peak 328 spectrum 1 weight 0.10000E+01 volume 0.16482E-03 ppm1 1.454 ppm2 8.571 CV 1
ASSI { 330}
(( segid "PAH3" and resid 522 and name HA ))
( segid "SAP" and resid 204 and name HG1%)
4.300 2.300 1.700 peak 330 spectrum 1 weight 0.10000E+01 volume 0.49256E-03 ppm1 0.319 ppm2 3.828 CV 1
ASSI { 331}
(( segid "PAH3" and resid 523 and name HB1 ))
( segid "SAP" and resid 204 and name HG1%)
4.900 3.000 1.100 peak 331 spectrum 1 weight 0.10000E+01 volume 0.39784E-03 ppm1 0.328 ppm2 1.570 CV 1
ASSI { 334}
(( segid "PAH3" and resid 486 and name HD1 ))
( segid "SAP" and resid 191 and name HG2%)
3.400 1.400 1.400 peak 334 spectrum 1 weight 0.10000E+01 volume 0.59107E-03 ppm1 0.670 ppm2 2.768 CV 1
OR { 334}
(( segid "PAH3" and resid 486 and name HD2 ))
( segid "SAP" and resid 191 and name HG2%)
ASSI { 336}
( segid "PAH3" and resid 488 and name HD2%)
( segid "SAP" and resid 191 and name HG2%)
5.500 3.700 0.500 peak 336 spectrum 1 weight 0.10000E+01 volume 0.34707E-03 ppm1 0.672 ppm2 0.003 CV 1
ASSI { 338}
(( segid "PAH3" and resid 500 and name HG1 ))
( segid "SAP" and resid 153 and name HD1%)
4.000 2.000 2.000 peak 338 spectrum 1 weight 0.10000E+01 volume 0.16255E-02 ppm1 0.894 ppm2 2.474 CV 1
ASSI { 340}
(( segid "PAH3" and resid 504 and name HG ))
( segid "SAP" and resid 153 and name HD1%)
4.000 2.000 2.000 peak 340 spectrum 1 weight 0.10000E+01 volume 0.17089E-02 ppm1 0.892 ppm2 1.985 CV 1
OR { 340}
(( segid "PAH3" and resid 504 and name HB1 ))
( segid "SAP" and resid 153 and name HD1%)
ASSI { 344}
(( segid "PAH3" and resid 483 and name HD21))
( segid "SAP" and resid 148 and name HG1%)
3.900 1.900 1.900 peak 344 spectrum 1 weight 0.10000E+01 volume 0.17543E-02 ppm1 0.976 ppm2 7.812 CV 1
ASSI { 347}
( segid "PAH3" and resid 481 and name HE% )
( segid "SAP" and resid 197 and name HD2%)
4.000 2.000 2.000 peak 347 spectrum 1 weight 0.10000E+01 volume 0.78433E-03 ppm1 -0.056 ppm2 6.705 CV 1
ASSI { 348}
( segid "PAH3" and resid 467 and name HD% )
( segid "SAP" and resid 197 and name HD2%)
4.600 2.600 1.400 peak 348 spectrum 1 weight 0.10000E+01 volume 0.33759E-03 ppm1 -0.044 ppm2 5.904 CV 1
ASSI { 349}
(( segid "PAH3" and resid 465 and name HA ))
( segid "SAP" and resid 197 and name HD2%)
4.700 2.700 1.300 peak 349 spectrum 1 weight 0.10000E+01 volume 0.76535E-03 ppm1 -0.050 ppm2 4.314 CV 1
ASSI { 350}
(( segid "PAH3" and resid 485 and name HA ))
( segid "SAP" and resid 197 and name HD2%)
4.600 2.700 1.400 peak 350 spectrum 1 weight 0.10000E+01 volume 0.95106E-03 ppm1 -0.041 ppm2 3.440 CV 1
ASSI { 351}
(( segid "PAH3" and resid 468 and name HB1 ))
( segid "SAP" and resid 197 and name HD2%)
3.100 1.200 1.200 peak 351 spectrum 1 weight 0.10000E+01 volume 0.18603E-02 ppm1 -0.047 ppm2 3.585 CV 1
ASSI { 352}
(( segid "PAH3" and resid 468 and name HB2 ))
( segid "SAP" and resid 197 and name HD2%)
4.300 2.300 1.700 peak 352 spectrum 1 weight 0.10000E+01 volume 0.75780E-03 ppm1 -0.043 ppm2 2.948 CV 1
ASSI { 353}
(( segid "PAH3" and resid 486 and name HN ))
( segid "SAP" and resid 191 and name HG1%)
3.200 1.300 1.300 peak 353 spectrum 1 weight 0.10000E+01 volume 0.21105E-02 ppm1 0.745 ppm2 8.143 CV 1
ASSI { 355}
(( segid "PAH3" and resid 486 and name HE ))
( segid "SAP" and resid 191 and name HG1%)
3.200 1.300 1.300 peak 355 spectrum 1 weight 0.10000E+01 volume 0.18831E-02 ppm1 0.745 ppm2 7.447 CV 1
ASSI { 358}
(( segid "PAH3" and resid 486 and name HA ))
( segid "SAP" and resid 191 and name HG1%)
3.100 1.200 1.200 peak 358 spectrum 1 weight 0.10000E+01 volume 0.22392E-02 ppm1 0.745 ppm2 3.483 CV 1
ASSI { 359}
(( segid "PAH3" and resid 486 and name HD1 ))
( segid "SAP" and resid 191 and name HG1%)
3.700 1.700 1.700 peak 359 spectrum 1 weight 0.10000E+01 volume 0.89800E-03 ppm1 0.744 ppm2 2.765 CV 1
OR { 359}
(( segid "PAH3" and resid 486 and name HD2 ))
( segid "SAP" and resid 191 and name HG1%)
ASSI { 361}
(( segid "PAH3" and resid 477 and name HB1 ))
( segid "SAP" and resid 145 and name HG2%)
3.900 1.900 1.900 peak 361 spectrum 1 weight 0.10000E+01 volume 0.10647E-02 ppm1 1.233 ppm2 4.232 CV 1
ASSI { 362}
(( segid "PAH3" and resid 477 and name HB2 ))
( segid "SAP" and resid 145 and name HG2%)
4.200 2.300 1.800 peak 362 spectrum 1 weight 0.10000E+01 volume 0.89800E-03 ppm1 1.223 ppm2 3.773 CV 1
ASSI { 363}
( segid "PAH3" and resid 461 and name HG2%)
(( segid "SAP" and resid 205 and name HD1 ))
2.800 2.800 3.200 peak 363 spectrum 1 weight 0.10000E+01 volume 0.15080E-02 ppm1 3.134 ppm2 0.973 CV 1
OR { 363}
( segid "PAH3" and resid 461 and name HG2%)
(( segid "SAP" and resid 205 and name HD2 ))
OR { 363}
( segid "PAH3" and resid 461 and name HG1%)
(( segid "SAP" and resid 205 and name HD1 ))
OR { 363}
( segid "PAH3" and resid 461 and name HG1%)
(( segid "SAP" and resid 205 and name HD2 ))
ASSI { 364}
( segid "PAH3" and resid 489 and name HG1%)
(( segid "SAP" and resid 196 and name HA ))
4.100 2.100 1.900 peak 364 spectrum 1 weight 0.10000E+01 volume 0.54940E-03 ppm1 3.763 ppm2 1.112 CV 1
ASSI { 365}
(( segid "PAH3" and resid 488 and name HB2 ))
(( segid "SAP" and resid 196 and name HA ))
4.500 2.600 1.500 peak 365 spectrum 1 weight 0.10000E+01 volume 0.57213E-03 ppm1 3.766 ppm2 1.020 CV 1
ASSI { 368}
( segid "PAH3" and resid 468 and name HE% )
(( segid "SAP" and resid 201 and name HA ))
5.700 4.100 0.300 peak 368 spectrum 1 weight 0.10000E+01 volume 0.24211E-03 ppm1 3.648 ppm2 7.451 CV 1
ASSI { 369}
(( segid "PAH3" and resid 464 and name HG1 ))
(( segid "SAP" and resid 201 and name HA ))
5.100 3.300 0.900 peak 369 spectrum 1 weight 0.10000E+01 volume 0.33873E-03 ppm1 3.651 ppm2 2.635 CV 1
ASSI { 370}
( segid "PAH3" and resid 522 and name HD% )
( segid "SAP" and resid 201 and name HG2%)
5.100 3.200 0.900 peak 370 spectrum 1 weight 0.10000E+01 volume 0.43952E-03 ppm1 1.038 ppm2 6.815 CV 1
ASSI { 372}
(( segid "PAH3" and resid 464 and name HB1 ))
( segid "SAP" and resid 201 and name HG2%)
4.500 2.500 1.500 peak 372 spectrum 1 weight 0.10000E+01 volume 0.38648E-03 ppm1 1.023 ppm2 2.293 CV 1
ASSI { 373}
( segid "PAH3" and resid 488 and name HD1%)
(( segid "SAP" and resid 200 and name HB2 ))
4.000 2.000 2.000 peak 373 spectrum 1 weight 0.10000E+01 volume 0.24742E-03 ppm1 3.278 ppm2 0.225 CV 1
ASSI { 374}
(( segid "PAH3" and resid 488 and name HB2 ))
(( segid "SAP" and resid 200 and name HB2 ))
5.500 3.800 0.500 peak 374 spectrum 1 weight 0.10000E+01 volume 0.23871E-03 ppm1 3.272 ppm2 1.037 CV 1
ASSI { 375}
( segid "PAH3" and resid 488 and name HD2%)
(( segid "SAP" and resid 200 and name HB1 ))
5.300 3.600 0.700 peak 375 spectrum 1 weight 0.10000E+01 volume 0.19778E-03 ppm1 3.624 ppm2 0.020 CV 1
ASSI { 376}
( segid "PAH3" and resid 488 and name HD1%)
(( segid "SAP" and resid 200 and name HB1 ))
4.200 2.300 1.800 peak 376 spectrum 1 weight 0.10000E+01 volume 0.19703E-03 ppm1 3.619 ppm2 0.215 CV 1
ASSI { 377}
(( segid "PAH3" and resid 486 and name HE ))
( segid "SAP" and resid 189 and name HG2%)
3.200 1.300 1.300 peak 377 spectrum 1 weight 0.10000E+01 volume 0.66685E-03 ppm1 0.725 ppm2 7.447 CV 1
ASSI { 379}
(( segid "PAH3" and resid 493 and name HE22))
( segid "SAP" and resid 189 and name HG2%)
3.900 1.900 1.900 peak 379 spectrum 1 weight 0.10000E+01 volume 0.19172E-03 ppm1 0.725 ppm2 7.016 CV 1
ASSI { 380}
(( segid "PAH3" and resid 489 and name HN ))
( segid "SAP" and resid 189 and name HG2%)
6.000 6.000 0.000 peak 380 spectrum 1 weight 0.10000E+01 volume 0.15156E-03 ppm1 0.718 ppm2 8.257 CV 1
ASSI { 381}
(( segid "PAH3" and resid 490 and name HN ))
( segid "SAP" and resid 189 and name HG2%)
3.800 1.800 1.800 peak 381 spectrum 1 weight 0.10000E+01 volume 0.24287E-03 ppm1 0.733 ppm2 7.642 CV 1
ASSI { 382}
(( segid "PAH3" and resid 490 and name HG12))
( segid "SAP" and resid 189 and name HG2%)
3.700 3.700 2.300 peak 382 spectrum 1 weight 0.10000E+01 volume 0.26219E-03 ppm1 0.718 ppm2 1.701 CV 1
ASSI { 385}
(( segid "PAH3" and resid 491 and name HZ ))
(( segid "SAP" and resid 203 and name HB2 ))
3.600 1.600 1.600 peak 385 spectrum 1 weight 0.10000E+01 volume 0.33305E-03 ppm1 4.001 ppm2 7.240 CV 1
ASSI { 387}
( segid "PAH3" and resid 504 and name HD2%)
(( segid "SAP" and resid 148 and name HA ))
3.500 1.500 1.500 peak 387 spectrum 1 weight 0.10000E+01 volume 0.39027E-03 ppm1 3.912 ppm2 0.724 CV 1
ASSI { 388}
(( segid "PAH3" and resid 491 and name HZ ))
(( segid "SAP" and resid 209 and name HB2 ))
4.300 2.300 1.700 peak 388 spectrum 1 weight 0.10000E+01 volume 0.29062E-03 ppm1 2.687 ppm2 7.243 CV 1
ASSI { 389}
(( segid "PAH3" and resid 491 and name HZ ))
(( segid "SAP" and resid 209 and name HB1 ))
5.100 3.200 0.900 peak 389 spectrum 1 weight 0.10000E+01 volume 0.20271E-03 ppm1 2.874 ppm2 7.236 CV 1
ASSI { 390}
(( segid "PAH3" and resid 522 and name HZ ))
(( segid "SAP" and resid 201 and name HB ))
4.800 2.900 1.200 peak 390 spectrum 1 weight 0.10000E+01 volume 0.64791E-03 ppm1 2.055 ppm2 7.242 CV 1
ASSI { 392}
(( segid "PAH3" and resid 465 and name HN ))
( segid "SAP" and resid 201 and name HD1%)
5.500 3.800 0.500 peak 392 spectrum 1 weight 0.10000E+01 volume 0.22544E-03 ppm1 1.045 ppm2 8.360 CV 1
ASSI { 393}
(( segid "PAH3" and resid 465 and name HA ))
( segid "SAP" and resid 201 and name HD1%)
3.700 1.700 1.700 peak 393 spectrum 1 weight 0.10000E+01 volume 0.15535E-02 ppm1 1.047 ppm2 4.306 CV 1
ASSI { 394}
(( segid "PAH3" and resid 465 and name HB1 ))
( segid "SAP" and resid 201 and name HD1%)
4.000 2.000 2.000 peak 394 spectrum 1 weight 0.10000E+01 volume 0.10950E-02 ppm1 1.045 ppm2 3.979 CV 1
OR { 394}
(( segid "PAH3" and resid 465 and name HB2 ))
( segid "SAP" and resid 201 and name HD1%)
ASSI { 395}
(( segid "PAH3" and resid 489 and name HN ))
( segid "SAP" and resid 189 and name HD1%)
5.700 4.000 0.300 peak 395 spectrum 1 weight 0.10000E+01 volume 0.29668E-03 ppm1 0.695 ppm2 8.272 CV 1
ASSI { 396}
(( segid "PAH3" and resid 486 and name HE ))
( segid "SAP" and resid 189 and name HD1%)
4.500 2.500 1.500 peak 396 spectrum 1 weight 0.10000E+01 volume 0.53803E-03 ppm1 0.693 ppm2 7.475 CV 1
ASSI { 397}
(( segid "PAH3" and resid 483 and name HA ))
( segid "SAP" and resid 189 and name HD1%)
5.700 4.100 0.300 peak 397 spectrum 1 weight 0.10000E+01 volume 0.21180E-03 ppm1 0.699 ppm2 4.482 CV 1
ASSI { 398}
(( segid "PAH3" and resid 486 and name HA ))
( segid "SAP" and resid 189 and name HD1%)
4.200 2.200 1.800 peak 398 spectrum 1 weight 0.10000E+01 volume 0.46604E-03 ppm1 0.686 ppm2 3.499 CV 1
ASSI { 399}
(( segid "PAH3" and resid 486 and name HD2 ))
( segid "SAP" and resid 189 and name HD1%)
4.300 2.300 1.700 peak 399 spectrum 1 weight 0.10000E+01 volume 0.33532E-03 ppm1 0.695 ppm2 2.757 CV 1
OR { 399}
(( segid "PAH3" and resid 486 and name HD1 ))
( segid "SAP" and resid 189 and name HD1%)
ASSI { 400}
(( segid "PAH3" and resid 490 and name HB ))
( segid "SAP" and resid 189 and name HD1%)
5.100 3.300 0.900 peak 400 spectrum 1 weight 0.10000E+01 volume 0.27394E-03 ppm1 0.694 ppm2 2.048 CV 1
OR { 400}
(( segid "PAH3" and resid 490 and name HG11))
( segid "SAP" and resid 189 and name HD1%)
ASSI { 401}
(( segid "PAH3" and resid 486 and name HB1 ))
( segid "SAP" and resid 189 and name HD1%)
3.700 1.700 1.700 peak 401 spectrum 1 weight 0.10000E+01 volume 0.46983E-03 ppm1 0.695 ppm2 1.773 CV 1
ASSI { 402}
(( segid "PAH3" and resid 490 and name HG12))
( segid "SAP" and resid 189 and name HD1%)
4.300 2.300 1.700 peak 402 spectrum 1 weight 0.10000E+01 volume 0.40163E-03 ppm1 0.690 ppm2 1.686 CV 1
ASSI { 404}
( segid "PAH3" and resid 480 and name HB% )
( segid "SAP" and resid 143 and name HD1%)
4.100 2.100 1.900 peak 404 spectrum 1 weight 0.10000E+01 volume 0.68580E-03 ppm1 0.859 ppm2 1.649 CV 1
ASSI { 405}
(( segid "PAH3" and resid 511 and name HD1 ))
( segid "SAP" and resid 143 and name HD1%)
4.400 2.400 1.600 peak 405 spectrum 1 weight 0.10000E+01 volume 0.38269E-03 ppm1 0.859 ppm2 1.457 CV 1
OR { 405}
(( segid "PAH3" and resid 511 and name HD2 ))
( segid "SAP" and resid 143 and name HD1%)
ASSI { 406}
(( segid "PAH3" and resid 476 and name HB2 ))
( segid "SAP" and resid 143 and name HD1%)
3.600 1.600 1.600 peak 406 spectrum 1 weight 0.10000E+01 volume 0.79569E-03 ppm1 0.861 ppm2 2.025 CV 1
OR { 406}
(( segid "PAH3" and resid 476 and name HB1 ))
( segid "SAP" and resid 143 and name HD1%)
ASSI { 408}
( segid "PAH3" and resid 481 and name HE% )
(( segid "SAP" and resid 193 and name HA ))
5.900 4.400 0.100 peak 408 spectrum 1 weight 0.10000E+01 volume 0.15952E-03 ppm1 3.538 ppm2 6.705 CV 1
ASSI { 409}
( segid "PAH3" and resid 481 and name HE% )
(( segid "SAP" and resid 193 and name HG2 ))
5.800 4.100 0.200 peak 409 spectrum 1 weight 0.10000E+01 volume 0.25613E-03 ppm1 2.091 ppm2 6.704 CV 1
ASSI { 411}
( segid "PAH3" and resid 481 and name HE% )
(( segid "SAP" and resid 193 and name HG1 ))
3.500 1.500 1.500 peak 411 spectrum 1 weight 0.10000E+01 volume 0.49635E-03 ppm1 2.195 ppm2 6.700 CV 1
ASSI { 412}
( segid "PAH3" and resid 495 and name HG2%)
(( segid "SAP" and resid 164 and name HA ))
3.300 1.400 1.400 peak 412 spectrum 1 weight 0.10000E+01 volume 0.52666E-03 ppm1 3.958 ppm2 0.274 CV 1
ASSI { 414}
( segid "PAH3" and resid 495 and name HG1%)
(( segid "SAP" and resid 160 and name HA ))
3.700 1.700 1.700 peak 414 spectrum 1 weight 0.10000E+01 volume 0.29554E-03 ppm1 4.008 ppm2 0.909 CV 1
ASSI { 418}
( segid "PAH3" and resid 489 and name HG1%)
(( segid "SAP" and resid 191 and name HB ))
4.300 2.300 1.700 peak 418 spectrum 1 weight 0.10000E+01 volume 0.45847E-03 ppm1 1.797 ppm2 1.108 CV 1
ASSI { 420}
(( segid "PAH3" and resid 486 and name HA ))
(( segid "SAP" and resid 191 and name HB ))
4.300 2.400 1.700 peak 420 spectrum 1 weight 0.10000E+01 volume 0.24211E-03 ppm1 1.795 ppm2 3.463 CV 1
ASSI { 421}
(( segid "PAH3" and resid 482 and name HA ))
(( segid "SAP" and resid 191 and name HB ))
5.400 3.600 0.600 peak 421 spectrum 1 weight 0.10000E+01 volume 0.27129E-03 ppm1 1.794 ppm2 3.639 CV 1
ASSI { 427}
(( segid "PAH3" and resid 511 and name HD1 ))
( segid "SAP" and resid 143 and name HG2%)
4.800 2.800 1.200 peak 427 spectrum 1 weight 0.10000E+01 volume 0.31789E-03 ppm1 0.900 ppm2 1.465 CV 1
OR { 427}
(( segid "PAH3" and resid 511 and name HD2 ))
( segid "SAP" and resid 143 and name HG2%)
ASSI { 428}
( segid "PAH3" and resid 480 and name HB% )
( segid "SAP" and resid 143 and name HG2%)
5.700 4.100 0.300 peak 428 spectrum 1 weight 0.10000E+01 volume 0.32812E-03 ppm1 0.906 ppm2 1.648 CV 1
ASSI { 429}
( segid "PAH3" and resid 508 and name HD% )
( segid "SAP" and resid 143 and name HG2%)
5.100 3.200 0.900 peak 429 spectrum 1 weight 0.10000E+01 volume 0.40921E-03 ppm1 0.906 ppm2 7.202 CV 1
ASSI { 431}
(( segid "PAH3" and resid 486 and name HB1 ))
( segid "SAP" and resid 191 and name HG1%)
4.000 2.000 2.000 peak 431 spectrum 1 weight 0.10000E+01 volume 0.16103E-02 ppm1 0.745 ppm2 1.763 CV 1
ASSI { 432}
(( segid "PAH3" and resid 486 and name HD2 ))
(( segid "SAP" and resid 187 and name HA ))
5.300 3.600 0.700 peak 432 spectrum 1 weight 0.10000E+01 volume 0.14701E-03 ppm1 3.896 ppm2 2.780 CV 1
OR { 432}
(( segid "PAH3" and resid 486 and name HD1 ))
(( segid "SAP" and resid 187 and name HA ))
ASSI { 433}
(( segid "PAH3" and resid 476 and name HB1 ))
( segid "SAP" and resid 143 and name HG2%)
3.400 1.500 1.500 peak 433 spectrum 1 weight 0.10000E+01 volume 0.42816E-03 ppm1 0.905 ppm2 2.031 CV 1
OR { 433}
(( segid "PAH3" and resid 476 and name HB2 ))
( segid "SAP" and resid 143 and name HG2%)
ASSI { 435}
(( segid "PAH3" and resid 476 and name HD2 ))
( segid "SAP" and resid 143 and name HG2%)
4.000 2.000 2.000 peak 435 spectrum 1 weight 0.10000E+01 volume 0.16293E-03 ppm1 0.905 ppm2 3.226 CV 1
OR { 435}
(( segid "PAH3" and resid 476 and name HD1 ))
( segid "SAP" and resid 143 and name HG2%)
ASSI { 437}
(( segid "PAH3" and resid 477 and name HB1 ))
( segid "SAP" and resid 143 and name HG2%)
4.200 2.200 1.800 peak 437 spectrum 1 weight 0.10000E+01 volume 0.13754E-03 ppm1 0.907 ppm2 4.219 CV 1
ASSI { 438}
(( segid "PAH3" and resid 511 and name HE1 ))
( segid "SAP" and resid 143 and name HD1%)
4.400 2.500 1.600 peak 438 spectrum 1 weight 0.10000E+01 volume 0.25045E-03 ppm1 0.860 ppm2 2.903 CV 1
OR { 438}
(( segid "PAH3" and resid 511 and name HE2 ))
( segid "SAP" and resid 143 and name HD1%)
ASSI { 439}
(( segid "PAH3" and resid 476 and name HD1 ))
( segid "SAP" and resid 143 and name HD1%)
3.900 1.900 1.900 peak 439 spectrum 1 weight 0.10000E+01 volume 0.23226E-03 ppm1 0.860 ppm2 3.241 CV 1
OR { 439}
(( segid "PAH3" and resid 476 and name HD2 ))
( segid "SAP" and resid 143 and name HD1%)
ASSI { 440}
(( segid "PAH3" and resid 477 and name HB1 ))
( segid "SAP" and resid 143 and name HD1%)
4.000 2.000 2.000 peak 440 spectrum 1 weight 0.10000E+01 volume 0.16861E-03 ppm1 0.852 ppm2 4.203 CV 1
ASSI { 441}
(( segid "PAH3" and resid 508 and name HA ))
( segid "SAP" and resid 143 and name HD1%)
4.400 2.400 1.600 peak 441 spectrum 1 weight 0.10000E+01 volume 0.34669E-03 ppm1 0.859 ppm2 4.357 CV 1
ASSI { 442}
(( segid "PAH3" and resid 485 and name HB2 ))
( segid "SAP" and resid 191 and name HG1%)
2.900 1.000 1.000 peak 442 spectrum 1 weight 0.10000E+01 volume 0.20763E-02 ppm1 0.746 ppm2 0.965 CV 1
ASSI { 444}
(( segid "PAH3" and resid 503 and name HG2 ))
(( segid "SAP" and resid 152 and name HB2 ))
4.600 2.600 1.400 peak 444 spectrum 1 weight 0.10000E+01 volume 0.47362E-03 ppm1 1.980 ppm2 2.438 CV 1
ASSI { 445}
(( segid "PAH3" and resid 485 and name HN ))
( segid "SAP" and resid 196 and name HG2%)
4.100 2.100 1.900 peak 445 spectrum 1 weight 0.10000E+01 volume 0.26106E-02 ppm1 1.047 ppm2 8.212 CV 1
ASSI { 446}
( segid "PAH3" and resid 512 and name HE% )
( segid "SAP" and resid 143 and name HD1%)
4.400 2.400 1.600 peak 446 spectrum 1 weight 0.10000E+01 volume 0.32472E-03 ppm1 0.859 ppm2 7.284 CV 1
ASSI { 447}
(( segid "PAH3" and resid 477 and name HB1 ))
(( segid "SAP" and resid 143 and name HB ))
4.900 2.900 1.100 peak 447 spectrum 1 weight 0.10000E+01 volume 0.22886E-03 ppm1 1.865 ppm2 4.220 CV 1
ASSI { 449}
(( segid "PAH3" and resid 475 and name HA ))
( segid "SAP" and resid 143 and name HG2%)
5.400 3.600 0.600 peak 449 spectrum 1 weight 0.10000E+01 volume 0.12200E-03 ppm1 0.906 ppm2 4.154 CV 1
ASSI { 451}
(( segid "PAH3" and resid 482 and name HN ))
( segid "SAP" and resid 191 and name HG1%)
4.800 2.900 1.200 peak 451 spectrum 1 weight 0.10000E+01 volume 0.86011E-03 ppm1 0.746 ppm2 8.516 CV 1
ASSI { 453}
(( segid "PAH3" and resid 483 and name HA ))
( segid "SAP" and resid 191 and name HG2%)
4.800 2.900 1.200 peak 453 spectrum 1 weight 0.10000E+01 volume 0.38269E-03 ppm1 0.673 ppm2 4.489 CV 1
ASSI { 455}
(( segid "PAH3" and resid 482 and name HB1 ))
( segid "SAP" and resid 191 and name HG2%)
4.100 2.100 1.900 peak 455 spectrum 1 weight 0.10000E+01 volume 0.19740E-02 ppm1 0.674 ppm2 2.176 CV 1
ASSI { 456}
(( segid "PAH3" and resid 485 and name HG ))
( segid "SAP" and resid 191 and name HG2%)
4.000 2.000 2.000 peak 456 spectrum 1 weight 0.10000E+01 volume 0.21180E-02 ppm1 0.678 ppm2 1.214 CV 1
ASSI { 460}
(( segid "PAH3" and resid 504 and name HB1 ))
( segid "SAP" and resid 150 and name HD2%)
4.500 2.600 1.500 peak 460 spectrum 1 weight 0.10000E+01 volume 0.78433E-03 ppm1 0.198 ppm2 1.987 CV 1
OR { 460}
(( segid "PAH3" and resid 504 and name HG ))
( segid "SAP" and resid 150 and name HD2%)
ASSI { 461}
(( segid "PAH3" and resid 485 and name HB1 ))
( segid "SAP" and resid 197 and name HD2%)
5.400 3.700 0.600 peak 461 spectrum 1 weight 0.10000E+01 volume 0.31107E-03 ppm1 -0.034 ppm2 1.996 CV 1
ASSI { 462}
(( segid "PAH3" and resid 504 and name HA ))
( segid "SAP" and resid 150 and name HD2%)
5.700 4.000 0.300 peak 462 spectrum 1 weight 0.10000E+01 volume 0.41679E-03 ppm1 0.212 ppm2 4.242 CV 1
ASSI { 463}
(( segid "PAH3" and resid 485 and name HB2 ))
( segid "SAP" and resid 197 and name HD2%)
5.400 3.700 0.600 peak 463 spectrum 1 weight 0.10000E+01 volume 0.51529E-03 ppm1 -0.044 ppm2 0.942 CV 1
ASSI { 464}
(( segid "PAH3" and resid 505 and name HA ))
( segid "SAP" and resid 148 and name HG1%)
5.700 4.100 0.300 peak 464 spectrum 1 weight 0.10000E+01 volume 0.16785E-03 ppm1 0.983 ppm2 4.883 CV 1
ASSI { 465}
(( segid "PAH3" and resid 505 and name HA ))
( segid "SAP" and resid 148 and name HG2%)
4.600 2.600 1.400 peak 465 spectrum 1 weight 0.10000E+01 volume 0.26219E-03 ppm1 0.681 ppm2 4.883 CV 1
ASSI { 467}
(( segid "PAH3" and resid 496 and name HA ))
( segid "SAP" and resid 153 and name HD1%)
5.100 3.300 0.900 peak 467 spectrum 1 weight 0.10000E+01 volume 0.50393E-03 ppm1 0.898 ppm2 5.049 CV 1
ASSI { 468}
(( segid "PAH3" and resid 497 and name HN ))
( segid "SAP" and resid 153 and name HD1%)
5.100 3.200 0.900 peak 468 spectrum 1 weight 0.10000E+01 volume 0.51151E-03 ppm1 0.906 ppm2 9.672 CV 1
ASSI { 474}
( segid "PAH3" and resid 491 and name HE% )
(( segid "SAP" and resid 209 and name HB1 ))
4.900 3.000 1.100 peak 474 spectrum 1 weight 0.10000E+01 volume 0.20044E-03 ppm1 2.872 ppm2 7.145 CV 1
ASSI { 475}
(( segid "PAH3" and resid 497 and name HA ))
(( segid "SAP" and resid 209 and name HB2 ))
4.400 2.400 1.600 peak 475 spectrum 1 weight 0.10000E+01 volume 0.10496E-03 ppm1 2.679 ppm2 4.819 CV 1
ASSI { 478}
(( segid "PAH3" and resid 488 and name HB2 ))
( segid "SAP" and resid 197 and name HD2%)
4.500 2.500 1.500 peak 478 spectrum 1 weight 0.10000E+01 volume 0.75025E-03 ppm1 -0.044 ppm2 1.016 CV 1
ASSI { 479}
(( segid "PAH3" and resid 523 and name HG ))
( segid "SAP" and resid 204 and name HG2%)
3.400 1.400 1.400 peak 479 spectrum 1 weight 0.10000E+01 volume 0.93962E-03 ppm1 -0.015 ppm2 1.342 CV 1
ASSI { 190}
(( segid "SAP" and resid 200 and name HZ ))
( segid "PAH3" and resid 519 and name HD% )
3.600 1.700 1.700 peak 190 spectrum 1 weight 0.10000E+01 volume 0.14929E-02 ppm1 6.905 ppm2 7.285 CV 1
ASSI { 222}
( segid "PAH3" and resid 495 and name HG1%)
(( segid "SAP" and resid 161 and name HN ))
3.300 1.400 1.400 peak 222 spectrum 1 weight 0.10000E+01 volume 0.19930E-02 ppm1 8.499 ppm2 0.923 CV 1
ASSI { 246}
( segid "PAH3" and resid 508 and name HE% )
(( segid "SAP" and resid 149 and name HN ))
3.800 1.800 1.800 peak 246 spectrum 1 weight 0.10000E+01 volume 0.25310E-03 ppm1 9.136 ppm2 7.424 CV 1
ASSI { 247}
(( segid "PAH3" and resid 507 and name HG2 ))
(( segid "SAP" and resid 149 and name HN ))
3.800 1.800 1.800 peak 247 spectrum 1 weight 0.10000E+01 volume 0.61760E-03 ppm1 9.143 ppm2 1.952 CV 1
OR { 247}
(( segid "PAH3" and resid 507 and name HG1 ))
(( segid "SAP" and resid 149 and name HN ))
ASSI { 248}
( segid "PAH3" and resid 504 and name HD2%)
(( segid "SAP" and resid 149 and name HN ))
3.300 1.400 1.400 peak 248 spectrum 1 weight 0.10000E+01 volume 0.56076E-03 ppm1 9.142 ppm2 0.737 CV 1
ASSI { 260}
(( segid "PAH3" and resid 486 and name HE ))
(( segid "SAP" and resid 189 and name HN ))
3.700 1.700 1.700 peak 260 spectrum 1 weight 0.10000E+01 volume 0.55318E-03 ppm1 7.148 ppm2 7.451 CV 1
ASSI { 261}
(( segid "PAH3" and resid 486 and name HD1 ))
(( segid "SAP" and resid 189 and name HN ))
4.100 2.100 1.900 peak 261 spectrum 1 weight 0.10000E+01 volume 0.54561E-03 ppm1 7.152 ppm2 2.780 CV 1
OR { 261}
(( segid "PAH3" and resid 486 and name HD2 ))
(( segid "SAP" and resid 189 and name HN ))
ASSI { 262}
( segid "PAH3" and resid 489 and name HG2%)
(( segid "SAP" and resid 189 and name HN ))
3.500 3.500 2.500 peak 262 spectrum 1 weight 0.10000E+01 volume 0.40542E-03 ppm1 7.130 ppm2 1.017 CV 1
ASSI { 271}
( segid "PAH3" and resid 495 and name HG2%)
(( segid "SAP" and resid 161 and name HN ))
3.300 3.300 2.700 peak 271 spectrum 1 weight 0.10000E+01 volume 0.57213E-03 ppm1 8.488 ppm2 0.267 CV 1
ASSI { 272}
( segid "PAH3" and resid 485 and name HD1%)
(( segid "SAP" and resid 197 and name HN ))
4.500 2.600 1.500 peak 272 spectrum 1 weight 0.10000E+01 volume 0.54182E-03 ppm1 8.490 ppm2 0.531 CV 1
ASSI { 273}
( segid "PAH3" and resid 490 and name HD1%)
(( segid "SAP" and resid 161 and name HN ))
4.500 2.500 1.500 peak 273 spectrum 1 weight 0.10000E+01 volume 0.68959E-03 ppm1 8.489 ppm2 1.069 CV 1
ASSI { 274}
( segid "PAH3" and resid 495 and name HG2%)
(( segid "SAP" and resid 164 and name HN ))
3.400 1.400 1.400 peak 274 spectrum 1 weight 0.10000E+01 volume 0.45847E-03 ppm1 8.834 ppm2 0.272 CV 1
ASSI { 275}
( segid "PAH3" and resid 495 and name HG1%)
(( segid "SAP" and resid 164 and name HN ))
3.600 1.600 1.600 peak 275 spectrum 1 weight 0.10000E+01 volume 0.33191E-03 ppm1 8.847 ppm2 0.908 CV 1
ASSI { 277}
(( segid "PAH3" and resid 507 and name HB2 ))
(( segid "SAP" and resid 147 and name HN ))
3.400 1.400 1.400 peak 277 spectrum 1 weight 0.10000E+01 volume 0.86392E-03 ppm1 7.760 ppm2 1.067 CV 1
ASSI { 278}
(( segid "PAH3" and resid 507 and name HG2 ))
(( segid "SAP" and resid 147 and name HN ))
4.400 2.400 1.600 peak 278 spectrum 1 weight 0.10000E+01 volume 0.48498E-03 ppm1 7.764 ppm2 1.970 CV 1
OR { 278}
(( segid "PAH3" and resid 507 and name HG1 ))
(( segid "SAP" and resid 147 and name HN ))
ASSI { 279}
(( segid "PAH3" and resid 507 and name HB1 ))
(( segid "SAP" and resid 147 and name HN ))
4.000 2.000 2.000 peak 279 spectrum 1 weight 0.10000E+01 volume 0.57592E-03 ppm1 7.766 ppm2 2.200 CV 1
ASSI { 280}
(( segid "PAH3" and resid 507 and name HA ))
(( segid "SAP" and resid 147 and name HN ))
4.700 2.800 1.300 peak 280 spectrum 1 weight 0.10000E+01 volume 0.63275E-03 ppm1 7.762 ppm2 4.272 CV 1
ASSI { 281}
( segid "PAH3" and resid 508 and name HE% )
(( segid "SAP" and resid 147 and name HN ))
4.400 2.400 1.600 peak 281 spectrum 1 weight 0.10000E+01 volume 0.39027E-03 ppm1 7.767 ppm2 7.445 CV 1
ASSI { 282}
(( segid "PAH3" and resid 508 and name HZ ))
(( segid "SAP" and resid 147 and name HN ))
3.900 1.900 1.900 peak 282 spectrum 1 weight 0.10000E+01 volume 0.82222E-03 ppm1 7.760 ppm2 7.181 CV 1
OR { 282}
( segid "PAH3" and resid 508 and name HD% )
(( segid "SAP" and resid 147 and name HN ))
ASSI { 284}
( segid "PAH3" and resid 508 and name HE% )
(( segid "SAP" and resid 148 and name HN ))
4.300 2.300 1.700 peak 284 spectrum 1 weight 0.10000E+01 volume 0.56076E-03 ppm1 8.597 ppm2 7.431 CV 1
ASSI { 285}
( segid "PAH3" and resid 522 and name HD% )
(( segid "SAP" and resid 204 and name HN ))
5.900 4.300 0.100 peak 285 spectrum 1 weight 0.10000E+01 volume 0.31107E-03 ppm1 7.835 ppm2 6.829 CV 1
ASSI { 287}
(( segid "PAH3" and resid 522 and name HZ ))
(( segid "SAP" and resid 204 and name HN ))
3.900 1.900 1.900 peak 287 spectrum 1 weight 0.10000E+01 volume 0.99650E-03 ppm1 7.835 ppm2 7.239 CV 1
ASSI { 294}
( segid "PAH3" and resid 488 and name HD2%)
(( segid "SAP" and resid 200 and name HN ))
4.100 2.100 1.900 peak 294 spectrum 1 weight 0.10000E+01 volume 0.15383E-03 ppm1 8.499 ppm2 0.022 CV 1
ASSI { 295}
( segid "PAH3" and resid 495 and name HG1%)
(( segid "SAP" and resid 160 and name HN ))
3.300 1.400 1.400 peak 295 spectrum 1 weight 0.10000E+01 volume 0.54561E-03 ppm1 7.848 ppm2 0.932 CV 1
ASSI { 309}
( segid "PAH3" and resid 504 and name HD2%)
(( segid "SAP" and resid 152 and name HE22))
3.800 1.800 1.800 peak 309 spectrum 1 weight 0.10000E+01 volume 0.11594E-02 ppm1 6.642 ppm2 0.732 CV 1
ASSI { 310}
( segid "PAH3" and resid 504 and name HD2%)
(( segid "SAP" and resid 152 and name HE21))
3.100 1.200 1.200 peak 310 spectrum 1 weight 0.10000E+01 volume 0.16520E-02 ppm1 7.772 ppm2 0.726 CV 1
ASSI { 311}
(( segid "PAH3" and resid 504 and name HA ))
(( segid "SAP" and resid 152 and name HE22))
3.100 1.200 1.200 peak 311 spectrum 1 weight 0.10000E+01 volume 0.14019E-02 ppm1 6.643 ppm2 4.245 CV 1
ASSI { 312}
(( segid "PAH3" and resid 504 and name HA ))
(( segid "SAP" and resid 152 and name HE21))
3.600 1.600 1.600 peak 312 spectrum 1 weight 0.10000E+01 volume 0.93589E-03 ppm1 7.767 ppm2 4.236 CV 1
ASSI { 314}
(( segid "PAH3" and resid 504 and name HG ))
(( segid "SAP" and resid 152 and name HE21))
4.900 2.900 1.100 peak 314 spectrum 1 weight 0.10000E+01 volume 0.32130E-03 ppm1 7.765 ppm2 1.991 CV 1
OR { 314}
(( segid "PAH3" and resid 504 and name HB1 ))
(( segid "SAP" and resid 152 and name HE21))
ASSI { 316}
( segid "PAH3" and resid 495 and name HG2%)
(( segid "SAP" and resid 165 and name HN ))
3.300 1.400 1.400 peak 316 spectrum 1 weight 0.10000E+01 volume 0.51151E-03 ppm1 7.801 ppm2 0.271 CV 1
ASSI { 319}
( segid "PAH3" and resid 504 and name HD2%)
(( segid "SAP" and resid 152 and name HN ))
3.500 1.600 1.600 peak 319 spectrum 1 weight 0.10000E+01 volume 0.36298E-03 ppm1 7.119 ppm2 0.719 CV 1
ASSI { 321}
( segid "PAH3" and resid 504 and name HD2%)
(( segid "SAP" and resid 150 and name HN ))
3.300 1.400 1.400 peak 321 spectrum 1 weight 0.10000E+01 volume 0.50772E-03 ppm1 8.388 ppm2 0.722 CV 1
ASSI { 422}
( segid "PAH3" and resid 485 and name HD2%)
(( segid "SAP" and resid 197 and name HN ))
4.100 2.100 1.900 peak 422 spectrum 1 weight 0.10000E+01 volume 0.51908E-03 ppm1 8.490 ppm2 0.454 CV 1
ASSI { 424}
( segid "PAH3" and resid 504 and name HD1%)
(( segid "SAP" and resid 153 and name HN ))
5.700 4.100 0.300 peak 424 spectrum 1 weight 0.10000E+01 volume 0.38269E-03 ppm1 7.183 ppm2 0.820 CV 1
ASSI { 425}
( segid "PAH3" and resid 485 and name HD2%)
(( segid "SAP" and resid 196 and name HN ))
4.000 2.000 2.000 peak 425 spectrum 1 weight 0.10000E+01 volume 0.18187E-03 ppm1 8.215 ppm2 0.466 CV 1
ASSI { 426}
( segid "PAH3" and resid 485 and name HD1%)
(( segid "SAP" and resid 196 and name HN ))
3.900 1.900 1.900 peak 426 spectrum 1 weight 0.10000E+01 volume 0.21370E-03 ppm1 8.216 ppm2 0.529 CV 1
ASSI { 470}
( segid "PAH3" and resid 504 and name HD2%)
(( segid "SAP" and resid 154 and name HN ))
3.500 3.500 2.500 peak 470 spectrum 1 weight 0.10000E+01 volume 0.37473E-03 ppm1 9.192 ppm2 0.752 CV 1
ASSI { 471}
( segid "PAH3" and resid 522 and name HE% )
(( segid "SAP" and resid 205 and name HN ))
4.400 2.400 1.600 peak 471 spectrum 1 weight 0.10000E+01 volume 0.62139E-03 ppm1 7.984 ppm2 7.101 CV 1
ASSI { 472}
(( segid "PAH3" and resid 522 and name HZ ))
(( segid "SAP" and resid 205 and name HN ))
3.900 1.900 1.900 peak 472 spectrum 1 weight 0.10000E+01 volume 0.59107E-03 ppm1 7.985 ppm2 7.237 CV 1
ASSI { 34}
( segid "SAP" and resid 173 and name HD2%)
(( segid "SAP" and resid 173 and name HA ))
2.200 0.600 0.600 peak 34 spectrum 1 weight 0.10000E+01 volume 0.88836E-02 ppm1 4.303 ppm2 0.721 CV 1
ASSI { 35}
( segid "SAP" and resid 173 and name HD1%)
(( segid "SAP" and resid 173 and name HA ))
3.500 1.500 1.500 peak 35 spectrum 1 weight 0.10000E+01 volume 0.26523E-02 ppm1 4.312 ppm2 0.849 CV 1
ASSI { 36}
(( segid "SAP" and resid 174 and name HB1 ))
(( segid "SAP" and resid 174 and name HA ))
2.500 0.800 0.800 peak 36 spectrum 1 weight 0.10000E+01 volume 0.61673E-02 ppm1 4.761 ppm2 3.274 CV 1
ASSI { 41}
(( segid "SAP" and resid 177 and name HG1 ))
(( segid "SAP" and resid 177 and name HA ))
3.100 1.200 1.200 peak 41 spectrum 1 weight 0.10000E+01 volume 0.31540E-02 ppm1 4.078 ppm2 2.650 CV 1
ASSI { 43}
(( segid "SAP" and resid 177 and name HB2 ))
(( segid "SAP" and resid 177 and name HA ))
2.600 0.800 0.800 peak 43 spectrum 1 weight 0.10000E+01 volume 0.59756E-02 ppm1 4.083 ppm2 1.975 CV 1
ASSI { 44}
( segid "SAP" and resid 178 and name HD2%)
(( segid "SAP" and resid 178 and name HA ))
2.100 0.600 0.600 peak 44 spectrum 1 weight 0.10000E+01 volume 0.12622E-01 ppm1 4.047 ppm2 0.822 CV 1
ASSI { 45}
(( segid "SAP" and resid 209 and name HA ))
(( segid "SAP" and resid 209 and name HB1 ))
2.600 0.800 0.800 peak 45 spectrum 1 weight 0.10000E+01 volume 0.50169E-02 ppm1 2.859 ppm2 4.600 CV 1
ASSI { 48}
( segid "SAP" and resid 169 and name HG2%)
(( segid "SAP" and resid 162 and name HE2 ))
2.800 1.000 1.000 peak 48 spectrum 1 weight 0.10000E+01 volume 0.23934E-02 ppm1 2.931 ppm2 1.069 CV 1
OR { 48}
( segid "SAP" and resid 169 and name HG2%)
(( segid "SAP" and resid 162 and name HE1 ))
ASSI { 49}
(( segid "SAP" and resid 179 and name HB ))
(( segid "SAP" and resid 179 and name HA ))
2.800 1.000 1.000 peak 49 spectrum 1 weight 0.10000E+01 volume 0.29463E-02 ppm1 3.157 ppm2 1.930 CV 1
ASSI { 50}
(( segid "SAP" and resid 208 and name HA ))
(( segid "SAP" and resid 208 and name HD2 ))
3.000 1.100 1.100 peak 50 spectrum 1 weight 0.10000E+01 volume 0.30325E-02 ppm1 1.615 ppm2 4.172 CV 1
OR { 50}
(( segid "SAP" and resid 208 and name HA ))
(( segid "SAP" and resid 208 and name HD1 ))
ASSI { 51}
(( segid "SAP" and resid 180 and name HA ))
(( segid "SAP" and resid 180 and name HG1 ))
2.800 1.000 1.000 peak 51 spectrum 1 weight 0.10000E+01 volume 0.51448E-02 ppm1 2.390 ppm2 4.026 CV 1
ASSI { 52}
(( segid "SAP" and resid 180 and name HA ))
(( segid "SAP" and resid 180 and name HG2 ))
2.500 0.800 0.800 peak 52 spectrum 1 weight 0.10000E+01 volume 0.52087E-02 ppm1 2.229 ppm2 4.009 CV 1
ASSI { 54}
(( segid "SAP" and resid 180 and name HB2 ))
(( segid "SAP" and resid 180 and name HA ))
2.100 0.600 0.600 peak 54 spectrum 1 weight 0.10000E+01 volume 0.16009E-01 ppm1 4.007 ppm2 2.140 CV 1
OR { 54}
(( segid "SAP" and resid 180 and name HB1 ))
(( segid "SAP" and resid 180 and name HA ))
ASSI { 55}
(( segid "SAP" and resid 181 and name HG11))
(( segid "SAP" and resid 181 and name HA ))
2.900 1.100 1.100 peak 55 spectrum 1 weight 0.10000E+01 volume 0.27833E-02 ppm1 3.849 ppm2 1.739 CV 1
ASSI { 56}
(( segid "SAP" and resid 181 and name HG12))
(( segid "SAP" and resid 181 and name HA ))
2.700 0.900 0.900 peak 56 spectrum 1 weight 0.10000E+01 volume 0.29015E-02 ppm1 3.848 ppm2 1.304 CV 1
ASSI { 57}
( segid "SAP" and resid 181 and name HG2%)
(( segid "SAP" and resid 181 and name HA ))
2.600 0.900 0.900 peak 57 spectrum 1 weight 0.10000E+01 volume 0.38666E-02 ppm1 3.844 ppm2 0.964 CV 1
ASSI { 59}
(( segid "SAP" and resid 181 and name HG11))
(( segid "SAP" and resid 181 and name HB ))
2.500 0.800 0.800 peak 59 spectrum 1 weight 0.10000E+01 volume 0.37068E-02 ppm1 1.927 ppm2 1.740 CV 1
ASSI { 64}
( segid "SAP" and resid 181 and name HG2%)
(( segid "SAP" and resid 181 and name HG12))
2.600 0.800 0.800 peak 64 spectrum 1 weight 0.10000E+01 volume 0.39944E-02 ppm1 1.300 ppm2 0.965 CV 1
ASSI { 65}
( segid "SAP" and resid 182 and name HG1%)
(( segid "SAP" and resid 182 and name HA ))
2.400 0.700 0.700 peak 65 spectrum 1 weight 0.10000E+01 volume 0.60395E-02 ppm1 3.310 ppm2 0.755 CV 1
ASSI { 66}
(( segid "SAP" and resid 208 and name HA ))
(( segid "SAP" and resid 208 and name HB2 ))
2.700 0.900 0.900 peak 66 spectrum 1 weight 0.10000E+01 volume 0.47613E-02 ppm1 1.734 ppm2 4.172 CV 1
ASSI { 67}
( segid "SAP" and resid 182 and name HG1%)
(( segid "SAP" and resid 182 and name HB ))
2.400 0.700 0.700 peak 67 spectrum 1 weight 0.10000E+01 volume 0.55922E-02 ppm1 1.709 ppm2 0.763 CV 1
ASSI { 68}
(( segid "SAP" and resid 208 and name HG2 ))
(( segid "SAP" and resid 208 and name HA ))
2.800 1.000 1.000 peak 68 spectrum 1 weight 0.10000E+01 volume 0.39624E-02 ppm1 4.183 ppm2 1.389 CV 1
OR { 68}
(( segid "SAP" and resid 208 and name HG1 ))
(( segid "SAP" and resid 208 and name HA ))
ASSI { 70}
(( segid "SAP" and resid 208 and name HB1 ))
(( segid "SAP" and resid 208 and name HA ))
2.300 0.700 0.700 peak 70 spectrum 1 weight 0.10000E+01 volume 0.73177E-02 ppm1 4.179 ppm2 1.825 CV 1
ASSI { 71}
(( segid "SAP" and resid 184 and name HB1 ))
(( segid "SAP" and resid 184 and name HA ))
2.700 0.900 0.900 peak 71 spectrum 1 weight 0.10000E+01 volume 0.63910E-02 ppm1 4.130 ppm2 3.086 CV 1
ASSI { 73}
(( segid "SAP" and resid 184 and name HA ))
(( segid "SAP" and resid 184 and name HB2 ))
2.400 0.700 0.700 peak 73 spectrum 1 weight 0.10000E+01 volume 0.56880E-02 ppm1 2.978 ppm2 4.133 CV 1
ASSI { 74}
(( segid "SAP" and resid 186 and name HB2 ))
(( segid "SAP" and resid 186 and name HB1 ))
2.400 0.700 0.700 peak 74 spectrum 1 weight 0.10000E+01 volume 0.23104E-02 ppm1 3.360 ppm2 3.019 CV 1
ASSI { 78}
(( segid "SAP" and resid 207 and name HB2 ))
(( segid "SAP" and resid 207 and name HA ))
2.200 0.600 0.600 peak 78 spectrum 1 weight 0.10000E+01 volume 0.12782E-01 ppm1 4.453 ppm2 2.664 CV 1
OR { 78}
(( segid "SAP" and resid 207 and name HB1 ))
(( segid "SAP" and resid 207 and name HA ))
ASSI { 79}
(( segid "SAP" and resid 208 and name HE2 ))
(( segid "SAP" and resid 207 and name HA ))
4.200 2.300 1.800 peak 79 spectrum 1 weight 0.10000E+01 volume 0.44098E-03 ppm1 4.452 ppm2 2.945 CV 1
OR { 79}
(( segid "SAP" and resid 208 and name HE1 ))
(( segid "SAP" and resid 207 and name HA ))
ASSI { 80}
(( segid "SAP" and resid 206 and name HB1 ))
(( segid "SAP" and resid 206 and name HB2 ))
1.700 0.400 0.500 peak 80 spectrum 1 weight 0.10000E+01 volume 0.26778E-01 ppm1 2.421 ppm2 2.660 CV 1
ASSI { 83}
( segid "SAP" and resid 191 and name HG2%)
(( segid "SAP" and resid 191 and name HB ))
2.300 0.600 0.600 peak 83 spectrum 1 weight 0.10000E+01 volume 0.85323E-02 ppm1 1.790 ppm2 0.666 CV 1
ASSI { 86}
(( segid "SAP" and resid 192 and name HB2 ))
(( segid "SAP" and resid 192 and name HA ))
2.500 0.800 0.800 peak 86 spectrum 1 weight 0.10000E+01 volume 0.70621E-02 ppm1 4.754 ppm2 2.624 CV 1
ASSI { 89}
(( segid "SAP" and resid 203 and name HA ))
(( segid "SAP" and resid 206 and name HB2 ))
3.900 1.900 1.900 peak 89 spectrum 1 weight 0.10000E+01 volume 0.35790E-03 ppm1 2.420 ppm2 4.143 CV 1
ASSI { 91}
(( segid "SAP" and resid 206 and name HB2 ))
(( segid "SAP" and resid 206 and name HA ))
2.800 1.000 1.000 peak 91 spectrum 1 weight 0.10000E+01 volume 0.46655E-02 ppm1 4.579 ppm2 2.416 CV 1
ASSI { 93}
( segid "SAP" and resid 196 and name HG2%)
(( segid "SAP" and resid 196 and name HA ))
2.600 0.800 0.800 peak 93 spectrum 1 weight 0.10000E+01 volume 0.42500E-02 ppm1 3.755 ppm2 1.040 CV 1
ASSI { 95}
(( segid "SAP" and resid 197 and name HB1 ))
(( segid "SAP" and resid 197 and name HB2 ))
1.900 0.500 0.500 peak 95 spectrum 1 weight 0.10000E+01 volume 0.10449E-01 ppm1 1.144 ppm2 1.714 CV 1
ASSI { 99}
( segid "SAP" and resid 204 and name HG2%)
(( segid "SAP" and resid 205 and name HD1 ))
4.800 2.900 1.200 peak 99 spectrum 1 weight 0.10000E+01 volume 0.28056E-03 ppm1 3.121 ppm2 -0.023 CV 1
OR { 99}
( segid "SAP" and resid 204 and name HG2%)
(( segid "SAP" and resid 205 and name HD2 ))
ASSI { 100}
( segid "SAP" and resid 201 and name HG2%)
(( segid "SAP" and resid 205 and name HD2 ))
2.800 1.000 1.000 peak 100 spectrum 1 weight 0.10000E+01 volume 0.30837E-02 ppm1 3.124 ppm2 1.037 CV 1
OR { 100}
( segid "SAP" and resid 201 and name HG2%)
(( segid "SAP" and resid 205 and name HD1 ))
ASSI { 101}
( segid "SAP" and resid 197 and name HD1%)
(( segid "SAP" and resid 197 and name HA ))
4.200 2.200 1.800 peak 101 spectrum 1 weight 0.10000E+01 volume 0.10130E-02 ppm1 3.831 ppm2 0.596 CV 1
ASSI { 102}
( segid "SAP" and resid 198 and name HG2%)
(( segid "SAP" and resid 198 and name HB ))
2.300 0.600 0.600 peak 102 spectrum 1 weight 0.10000E+01 volume 0.97781E-02 ppm1 4.277 ppm2 1.245 CV 1
ASSI { 103}
(( segid "SAP" and resid 202 and name HA ))
(( segid "SAP" and resid 205 and name HD2 ))
3.400 1.400 1.400 peak 103 spectrum 1 weight 0.10000E+01 volume 0.12367E-02 ppm1 3.124 ppm2 4.162 CV 1
OR { 103}
(( segid "SAP" and resid 202 and name HA ))
(( segid "SAP" and resid 205 and name HD1 ))
ASSI { 104}
(( segid "SAP" and resid 199 and name HB2 ))
(( segid "SAP" and resid 199 and name HB1 ))
1.800 0.400 0.400 peak 104 spectrum 1 weight 0.10000E+01 volume 0.20483E-01 ppm1 3.159 ppm2 2.913 CV 1
ASSI { 106}
(( segid "SAP" and resid 199 and name HA ))
(( segid "SAP" and resid 199 and name HB2 ))
2.800 1.000 1.000 peak 106 spectrum 1 weight 0.10000E+01 volume 0.34192E-02 ppm1 2.913 ppm2 4.214 CV 1
ASSI { 107}
(( segid "SAP" and resid 205 and name HA ))
(( segid "SAP" and resid 205 and name HD1 ))
3.100 1.200 1.200 peak 107 spectrum 1 weight 0.10000E+01 volume 0.30357E-02 ppm1 3.121 ppm2 3.976 CV 1
OR { 107}
(( segid "SAP" and resid 205 and name HA ))
(( segid "SAP" and resid 205 and name HD2 ))
ASSI { 108}
(( segid "SAP" and resid 200 and name HB1 ))
(( segid "SAP" and resid 200 and name HB2 ))
2.600 0.800 0.800 peak 108 spectrum 1 weight 0.10000E+01 volume 0.14891E-02 ppm1 3.278 ppm2 3.624 CV 1
ASSI { 109}
(( segid "SAP" and resid 201 and name HG12))
(( segid "SAP" and resid 201 and name HA ))
2.900 1.000 1.000 peak 109 spectrum 1 weight 0.10000E+01 volume 0.16681E-02 ppm1 3.640 ppm2 1.348 CV 1
ASSI { 110}
(( segid "SAP" and resid 201 and name HG12))
(( segid "SAP" and resid 201 and name HG11))
2.100 0.600 0.600 peak 110 spectrum 1 weight 0.10000E+01 volume 0.51128E-02 ppm1 2.205 ppm2 1.350 CV 1
ASSI { 111}
(( segid "SAP" and resid 205 and name HA ))
(( segid "SAP" and resid 205 and name HG2 ))
2.400 0.700 0.700 peak 111 spectrum 1 weight 0.10000E+01 volume 0.72538E-02 ppm1 1.606 ppm2 3.979 CV 1
ASSI { 112}
(( segid "SAP" and resid 205 and name HA ))
(( segid "SAP" and resid 205 and name HG1 ))
2.800 1.000 1.000 peak 112 spectrum 1 weight 0.10000E+01 volume 0.37388E-02 ppm1 1.826 ppm2 3.985 CV 1
ASSI { 113}
(( segid "SAP" and resid 204 and name HB ))
(( segid "SAP" and resid 204 and name HA ))
3.000 1.100 1.100 peak 113 spectrum 1 weight 0.10000E+01 volume 0.22241E-02 ppm1 3.560 ppm2 1.551 CV 1
ASSI { 116}
( segid "SAP" and resid 204 and name HG2%)
(( segid "SAP" and resid 205 and name HA ))
4.300 2.300 1.700 peak 116 spectrum 1 weight 0.10000E+01 volume 0.63591E-03 ppm1 3.975 ppm2 -0.027 CV 1
ASSI { 117}
(( segid "SAP" and resid 205 and name HA ))
(( segid "SAP" and resid 205 and name HB2 ))
2.600 0.800 0.800 peak 117 spectrum 1 weight 0.10000E+01 volume 0.47933E-02 ppm1 1.817 ppm2 3.981 CV 1
OR { 117}
(( segid "SAP" and resid 205 and name HA ))
(( segid "SAP" and resid 205 and name HB1 ))
ASSI { 118}
(( segid "SAP" and resid 205 and name HB2 ))
(( segid "SAP" and resid 205 and name HA ))
2.300 0.700 0.700 peak 118 spectrum 1 weight 0.10000E+01 volume 0.10800E-01 ppm1 3.975 ppm2 1.819 CV 1
OR { 118}
(( segid "SAP" and resid 205 and name HB1 ))
(( segid "SAP" and resid 205 and name HA ))
OR { 118}
(( segid "SAP" and resid 205 and name HG1 ))
(( segid "SAP" and resid 205 and name HA ))
ASSI { 120}
(( segid "SAP" and resid 205 and name HD1 ))
(( segid "SAP" and resid 205 and name HG1 ))
2.500 0.800 0.800 peak 120 spectrum 1 weight 0.10000E+01 volume 0.46655E-02 ppm1 1.820 ppm2 3.117 CV 1
OR { 120}
(( segid "SAP" and resid 205 and name HD2 ))
(( segid "SAP" and resid 205 and name HG1 ))
ASSI { 122}
(( segid "SAP" and resid 207 and name HA ))
(( segid "SAP" and resid 207 and name HB2 ))
2.600 0.800 0.800 peak 122 spectrum 1 weight 0.10000E+01 volume 0.56880E-02 ppm1 2.625 ppm2 4.457 CV 1
ASSI { 123}
(( segid "SAP" and resid 207 and name HA ))
(( segid "SAP" and resid 207 and name HB1 ))
2.500 0.800 0.800 peak 123 spectrum 1 weight 0.10000E+01 volume 0.61034E-02 ppm1 2.698 ppm2 4.458 CV 1
ASSI { 127}
(( segid "SAP" and resid 210 and name HB2 ))
(( segid "SAP" and resid 210 and name HA ))
2.700 0.900 0.900 peak 127 spectrum 1 weight 0.10000E+01 volume 0.43459E-02 ppm1 4.271 ppm2 1.731 CV 1
ASSI { 128}
(( segid "SAP" and resid 210 and name HD1 ))
(( segid "SAP" and resid 210 and name HA ))
3.400 1.400 1.400 peak 128 spectrum 1 weight 0.10000E+01 volume 0.17319E-02 ppm1 4.270 ppm2 1.620 CV 1
OR { 128}
(( segid "SAP" and resid 210 and name HD2 ))
(( segid "SAP" and resid 210 and name HA ))
ASSI { 131}
(( segid "SAP" and resid 204 and name HB ))
( segid "SAP" and resid 204 and name HG2%)
2.200 0.600 0.600 peak 131 spectrum 1 weight 0.10000E+01 volume 0.96825E-02 ppm1 -0.029 ppm2 1.544 CV 1
ASSI { 133}
( segid "SAP" and resid 169 and name HG2%)
(( segid "SAP" and resid 169 and name HA ))
2.500 0.800 0.800 peak 133 spectrum 1 weight 0.10000E+01 volume 0.65189E-02 ppm1 4.489 ppm2 1.069 CV 1
ASSI { 135}
( segid "SAP" and resid 201 and name HG2%)
( segid "SAP" and resid 204 and name HG1%)
4.200 2.200 1.800 peak 135 spectrum 1 weight 0.10000E+01 volume 0.63271E-03 ppm1 0.316 ppm2 1.029 CV 1
OR { 135}
( segid "SAP" and resid 201 and name HD1%)
( segid "SAP" and resid 204 and name HG1%)
ASSI { 137}
(( segid "SAP" and resid 204 and name HB ))
( segid "SAP" and resid 204 and name HG1%)
2.300 0.700 0.700 peak 137 spectrum 1 weight 0.10000E+01 volume 0.78612E-02 ppm1 0.313 ppm2 1.547 CV 1
ASSI { 142}
(( segid "SAP" and resid 204 and name HA ))
( segid "SAP" and resid 204 and name HG1%)
2.500 0.800 0.800 peak 142 spectrum 1 weight 0.10000E+01 volume 0.56241E-02 ppm1 0.314 ppm2 3.548 CV 1
ASSI { 143}
(( segid "SAP" and resid 205 and name HA ))
( segid "SAP" and resid 204 and name HG1%)
3.700 1.700 1.700 peak 143 spectrum 1 weight 0.10000E+01 volume 0.64550E-03 ppm1 0.311 ppm2 3.985 CV 1
ASSI { 144}
( segid "SAP" and resid 178 and name HD1%)
(( segid "SAP" and resid 158 and name HB1 ))
3.400 1.400 1.400 peak 144 spectrum 1 weight 0.10000E+01 volume 0.17895E-02 ppm1 2.074 ppm2 0.801 CV 1
OR { 144}
( segid "SAP" and resid 178 and name HD2%)
(( segid "SAP" and resid 158 and name HB1 ))
ASSI { 145}
( segid "SAP" and resid 158 and name HD2%)
(( segid "SAP" and resid 158 and name HB1 ))
2.700 0.900 0.900 peak 145 spectrum 1 weight 0.10000E+01 volume 0.22336E-02 ppm1 2.073 ppm2 0.657 CV 1
OR { 145}
( segid "SAP" and resid 158 and name HD1%)
(( segid "SAP" and resid 158 and name HB1 ))
ASSI { 146}
(( segid "SAP" and resid 203 and name HB1 ))
( segid "SAP" and resid 204 and name HG1%)
4.400 2.400 1.600 peak 146 spectrum 1 weight 0.10000E+01 volume 0.50489E-03 ppm1 0.317 ppm2 4.255 CV 1
ASSI { 148}
(( segid "SAP" and resid 167 and name HB1 ))
(( segid "SAP" and resid 167 and name HA ))
2.800 1.000 1.000 peak 148 spectrum 1 weight 0.10000E+01 volume 0.21953E-02 ppm1 4.541 ppm2 1.638 CV 1
OR { 148}
(( segid "SAP" and resid 167 and name HG ))
(( segid "SAP" and resid 167 and name HA ))
ASSI { 149}
(( segid "SAP" and resid 203 and name HB1 ))
(( segid "SAP" and resid 203 and name HB2 ))
1.900 0.400 0.400 peak 149 spectrum 1 weight 0.10000E+01 volume 0.13453E-01 ppm1 3.980 ppm2 4.260 CV 1
ASSI { 150}
(( segid "SAP" and resid 160 and name HD1 ))
(( segid "SAP" and resid 160 and name HG1 ))
2.600 0.900 0.900 peak 150 spectrum 1 weight 0.10000E+01 volume 0.40263E-02 ppm1 1.872 ppm2 3.460 CV 1
OR { 150}
(( segid "SAP" and resid 160 and name HD2 ))
(( segid "SAP" and resid 160 and name HG1 ))
ASSI { 151}
(( segid "SAP" and resid 160 and name HD1 ))
(( segid "SAP" and resid 160 and name HG2 ))
2.300 0.700 0.700 peak 151 spectrum 1 weight 0.10000E+01 volume 0.62312E-02 ppm1 1.551 ppm2 3.463 CV 1
OR { 151}
(( segid "SAP" and resid 160 and name HD2 ))
(( segid "SAP" and resid 160 and name HG2 ))
ASSI { 153}
( segid "SAP" and resid 173 and name HD1%)
(( segid "SAP" and resid 173 and name HG ))
2.200 0.600 0.600 peak 153 spectrum 1 weight 0.10000E+01 volume 0.10960E-01 ppm1 1.821 ppm2 0.855 CV 1
ASSI { 156}
( segid "SAP" and resid 176 and name HB% )
(( segid "SAP" and resid 176 and name HA ))
2.300 0.600 0.600 peak 156 spectrum 1 weight 0.10000E+01 volume 0.10737E-01 ppm1 4.024 ppm2 1.512 CV 1
ASSI { 157}
( segid "SAP" and resid 202 and name HD% )
(( segid "SAP" and resid 202 and name HB2 ))
2.700 0.900 0.900 peak 157 spectrum 1 weight 0.10000E+01 volume 0.34831E-02 ppm1 3.162 ppm2 -0.827 CV 1
OR { 157}
( segid "SAP" and resid 202 and name HD% )
(( segid "SAP" and resid 202 and name HB1 ))
ASSI { 158}
( segid "SAP" and resid 189 and name HD1%)
(( segid "SAP" and resid 189 and name HG12))
2.500 0.800 0.800 peak 158 spectrum 1 weight 0.10000E+01 volume 0.38346E-02 ppm1 0.435 ppm2 0.694 CV 1
OR { 158}
( segid "SAP" and resid 189 and name HG2%)
(( segid "SAP" and resid 189 and name HG12))
ASSI { 159}
(( segid "SAP" and resid 189 and name HG12))
(( segid "SAP" and resid 189 and name HG11))
2.300 0.700 0.700 peak 159 spectrum 1 weight 0.10000E+01 volume 0.27673E-02 ppm1 1.502 ppm2 0.442 CV 1
ASSI { 160}
( segid "SAP" and resid 202 and name HE% )
(( segid "SAP" and resid 202 and name HA ))
4.200 2.300 1.800 peak 160 spectrum 1 weight 0.10000E+01 volume 0.12654E-03 ppm1 4.159 ppm2 -1.211 CV 1
ASSI { 162}
(( segid "SAP" and resid 205 and name HB1 ))
(( segid "SAP" and resid 202 and name HA ))
3.000 1.100 1.100 peak 162 spectrum 1 weight 0.10000E+01 volume 0.17958E-02 ppm1 4.155 ppm2 1.815 CV 1
OR { 162}
(( segid "SAP" and resid 205 and name HB2 ))
(( segid "SAP" and resid 202 and name HA ))
ASSI { 163}
(( segid "SAP" and resid 202 and name HB2 ))
(( segid "SAP" and resid 202 and name HA ))
2.400 0.700 0.700 peak 163 spectrum 1 weight 0.10000E+01 volume 0.81168E-02 ppm1 4.159 ppm2 3.156 CV 1
OR { 163}
(( segid "SAP" and resid 202 and name HB1 ))
(( segid "SAP" and resid 202 and name HA ))
ASSI { 165}
( segid "SAP" and resid 197 and name HD1%)
( segid "SAP" and resid 201 and name HD1%)
4.000 2.000 2.000 peak 165 spectrum 1 weight 0.10000E+01 volume 0.58477E-03 ppm1 1.035 ppm2 0.595 CV 1
ASSI { 166}
(( segid "SAP" and resid 201 and name HG12))
( segid "SAP" and resid 201 and name HD1%)
2.300 0.600 0.600 peak 166 spectrum 1 weight 0.10000E+01 volume 0.77648E-02 ppm1 1.037 ppm2 1.345 CV 1
ASSI { 167}
(( segid "SAP" and resid 201 and name HA ))
( segid "SAP" and resid 201 and name HD1%)
3.600 1.700 1.700 peak 167 spectrum 1 weight 0.10000E+01 volume 0.18214E-02 ppm1 1.035 ppm2 3.644 CV 1
ASSI { 173}
(( segid "SAP" and resid 198 and name HA ))
( segid "SAP" and resid 201 and name HG2%)
4.300 2.300 1.700 peak 173 spectrum 1 weight 0.10000E+01 volume 0.54324E-03 ppm1 1.025 ppm2 3.858 CV 1
ASSI { 174}
(( segid "SAP" and resid 202 and name HA ))
( segid "SAP" and resid 201 and name HG2%)
3.800 1.800 1.800 peak 174 spectrum 1 weight 0.10000E+01 volume 0.44418E-03 ppm1 1.026 ppm2 4.161 CV 1
ASSI { 175}
(( segid "SAP" and resid 201 and name HA ))
( segid "SAP" and resid 201 and name HG2%)
3.100 1.200 1.200 peak 175 spectrum 1 weight 0.10000E+01 volume 0.14252E-02 ppm1 1.026 ppm2 3.639 CV 1
ASSI { 176}
( segid "SAP" and resid 201 and name HD1%)
(( segid "SAP" and resid 201 and name HG11))
2.500 0.800 0.800 peak 176 spectrum 1 weight 0.10000E+01 volume 0.55283E-02 ppm1 2.201 ppm2 1.034 CV 1
OR { 176}
( segid "SAP" and resid 201 and name HG2%)
(( segid "SAP" and resid 201 and name HG11))
ASSI { 177}
( segid "SAP" and resid 201 and name HD1%)
(( segid "SAP" and resid 201 and name HG12))
2.500 0.800 0.800 peak 177 spectrum 1 weight 0.10000E+01 volume 0.45376E-02 ppm1 1.346 ppm2 1.037 CV 1
OR { 177}
( segid "SAP" and resid 201 and name HG2%)
(( segid "SAP" and resid 201 and name HG12))
ASSI { 179}
( segid "SAP" and resid 201 and name HG2%)
(( segid "SAP" and resid 201 and name HB ))
2.200 0.600 0.600 peak 179 spectrum 1 weight 0.10000E+01 volume 0.10673E-01 ppm1 2.028 ppm2 1.032 CV 1
OR { 179}
( segid "SAP" and resid 201 and name HD1%)
(( segid "SAP" and resid 201 and name HB ))
ASSI { 180}
(( segid "SAP" and resid 201 and name HG11))
(( segid "SAP" and resid 201 and name HB ))
2.800 0.900 0.900 peak 180 spectrum 1 weight 0.10000E+01 volume 0.20355E-02 ppm1 2.027 ppm2 2.214 CV 1
ASSI { 184}
( segid "SAP" and resid 204 and name HG1%)
(( segid "SAP" and resid 201 and name HA ))
3.900 1.900 1.900 peak 184 spectrum 1 weight 0.10000E+01 volume 0.10481E-02 ppm1 3.640 ppm2 0.316 CV 1
ASSI { 185}
( segid "SAP" and resid 201 and name HG2%)
(( segid "SAP" and resid 201 and name HA ))
2.600 0.800 0.800 peak 185 spectrum 1 weight 0.10000E+01 volume 0.49530E-02 ppm1 3.640 ppm2 1.032 CV 1
OR { 185}
( segid "SAP" and resid 201 and name HD1%)
(( segid "SAP" and resid 201 and name HA ))
ASSI { 186}
(( segid "SAP" and resid 201 and name HG11))
(( segid "SAP" and resid 201 and name HA ))
3.200 1.300 1.300 peak 186 spectrum 1 weight 0.10000E+01 volume 0.12686E-02 ppm1 3.644 ppm2 2.198 CV 1
ASSI { 187}
( segid "SAP" and resid 161 and name HD% )
(( segid "SAP" and resid 182 and name HA ))
3.200 1.300 1.300 peak 187 spectrum 1 weight 0.10000E+01 volume 0.12015E-02 ppm1 3.312 ppm2 -1.283 CV 1
ASSI { 188}
(( segid "SAP" and resid 185 and name HD2 ))
( segid "SAP" and resid 167 and name HD2%)
2.600 0.800 0.800 peak 188 spectrum 1 weight 0.10000E+01 volume 0.45696E-02 ppm1 0.773 ppm2 -0.999 CV 1
ASSI { 189}
( segid "SAP" and resid 161 and name HD% )
( segid "SAP" and resid 167 and name HD1%)
2.400 0.700 0.700 peak 189 spectrum 1 weight 0.10000E+01 volume 0.67105E-02 ppm1 0.872 ppm2 -1.280 CV 1
ASSI { 192}
(( segid "SAP" and resid 139 and name HG2 ))
(( segid "SAP" and resid 139 and name HA ))
3.100 1.200 1.200 peak 192 spectrum 1 weight 0.10000E+01 volume 0.39944E-02 ppm1 4.473 ppm2 1.980 CV 1
OR { 192}
(( segid "SAP" and resid 139 and name HG1 ))
(( segid "SAP" and resid 139 and name HA ))
ASSI { 193}
( segid "SAP" and resid 140 and name HG1%)
(( segid "SAP" and resid 139 and name HA ))
4.000 2.000 2.000 peak 193 spectrum 1 weight 0.10000E+01 volume 0.19556E-03 ppm1 4.465 ppm2 0.922 CV 1
OR { 193}
( segid "SAP" and resid 140 and name HG2%)
(( segid "SAP" and resid 139 and name HA ))
ASSI { 194}
( segid "SAP" and resid 140 and name HG1%)
(( segid "SAP" and resid 140 and name HA ))
2.800 1.000 1.000 peak 194 spectrum 1 weight 0.10000E+01 volume 0.36109E-02 ppm1 4.048 ppm2 0.926 CV 1
OR { 194}
( segid "SAP" and resid 140 and name HG2%)
(( segid "SAP" and resid 140 and name HA ))
ASSI { 195}
( segid "SAP" and resid 219 and name HG1%)
(( segid "SAP" and resid 219 and name HA ))
3.400 1.500 1.500 peak 195 spectrum 1 weight 0.10000E+01 volume 0.11216E-02 ppm1 4.042 ppm2 0.839 CV 1
OR { 195}
( segid "SAP" and resid 219 and name HG2%)
(( segid "SAP" and resid 219 and name HA ))
ASSI { 196}
(( segid "SAP" and resid 141 and name HG1 ))
(( segid "SAP" and resid 141 and name HA ))
3.000 1.100 1.100 peak 196 spectrum 1 weight 0.10000E+01 volume 0.21154E-02 ppm1 4.355 ppm2 2.319 CV 1
OR { 196}
(( segid "SAP" and resid 141 and name HG2 ))
(( segid "SAP" and resid 141 and name HA ))
ASSI { 197}
(( segid "SAP" and resid 141 and name HB1 ))
(( segid "SAP" and resid 141 and name HA ))
2.700 0.900 0.900 peak 197 spectrum 1 weight 0.10000E+01 volume 0.35790E-02 ppm1 4.358 ppm2 2.057 CV 1
ASSI { 199}
( segid "SAP" and resid 140 and name HG2%)
(( segid "SAP" and resid 141 and name HA ))
4.300 2.300 1.700 peak 199 spectrum 1 weight 0.10000E+01 volume 0.30549E-03 ppm1 4.359 ppm2 0.914 CV 1
OR { 199}
( segid "SAP" and resid 140 and name HG1%)
(( segid "SAP" and resid 141 and name HA ))
ASSI { 201}
(( segid "SAP" and resid 141 and name HA ))
(( segid "SAP" and resid 141 and name HB2 ))
2.800 1.000 1.000 peak 201 spectrum 1 weight 0.10000E+01 volume 0.32594E-02 ppm1 1.933 ppm2 4.356 CV 1
ASSI { 202}
(( segid "SAP" and resid 196 and name HA ))
(( segid "SAP" and resid 199 and name HB2 ))
3.700 1.700 1.700 peak 202 spectrum 1 weight 0.10000E+01 volume 0.40902E-03 ppm1 2.915 ppm2 3.756 CV 1
ASSI { 205}
( segid "SAP" and resid 198 and name HG2%)
(( segid "SAP" and resid 199 and name HA ))
3.700 1.700 1.700 peak 205 spectrum 1 weight 0.10000E+01 volume 0.68703E-03 ppm1 4.216 ppm2 1.256 CV 1
ASSI { 209}
(( segid "SAP" and resid 143 and name HB ))
(( segid "SAP" and resid 143 and name HA ))
2.700 0.900 0.900 peak 209 spectrum 1 weight 0.10000E+01 volume 0.42180E-02 ppm1 4.198 ppm2 1.876 CV 1
ASSI { 210}
(( segid "SAP" and resid 143 and name HG11))
(( segid "SAP" and resid 143 and name HA ))
3.600 1.600 1.600 peak 210 spectrum 1 weight 0.10000E+01 volume 0.81168E-03 ppm1 4.200 ppm2 1.416 CV 1
ASSI { 211}
(( segid "SAP" and resid 143 and name HG12))
(( segid "SAP" and resid 143 and name HA ))
3.200 1.300 1.300 peak 211 spectrum 1 weight 0.10000E+01 volume 0.11919E-02 ppm1 4.198 ppm2 1.150 CV 1
ASSI { 212}
( segid "SAP" and resid 143 and name HG2%)
(( segid "SAP" and resid 143 and name HA ))
2.600 0.800 0.800 peak 212 spectrum 1 weight 0.10000E+01 volume 0.46655E-02 ppm1 4.198 ppm2 0.885 CV 1
ASSI { 215}
(( segid "SAP" and resid 143 and name HG12))
(( segid "SAP" and resid 143 and name HB ))
3.200 1.300 1.300 peak 215 spectrum 1 weight 0.10000E+01 volume 0.17544E-02 ppm1 1.871 ppm2 1.161 CV 1
ASSI { 216}
( segid "SAP" and resid 143 and name HG2%)
(( segid "SAP" and resid 143 and name HB ))
2.200 0.600 0.600 peak 216 spectrum 1 weight 0.10000E+01 volume 0.12335E-01 ppm1 1.872 ppm2 0.876 CV 1
OR { 216}
( segid "SAP" and resid 143 and name HD1%)
(( segid "SAP" and resid 143 and name HB ))
ASSI { 222}
(( segid "SAP" and resid 143 and name HG11))
(( segid "SAP" and resid 143 and name HG12))
1.700 0.400 0.500 peak 222 spectrum 1 weight 0.10000E+01 volume 0.24190E-01 ppm1 1.152 ppm2 1.413 CV 1
ASSI { 223}
( segid "SAP" and resid 143 and name HD1%)
(( segid "SAP" and resid 143 and name HG12))
2.300 0.700 0.700 peak 223 spectrum 1 weight 0.10000E+01 volume 0.84045E-02 ppm1 1.152 ppm2 0.866 CV 1
OR { 223}
( segid "SAP" and resid 143 and name HG2%)
(( segid "SAP" and resid 143 and name HG12))
ASSI { 224}
(( segid "SAP" and resid 143 and name HB ))
(( segid "SAP" and resid 143 and name HG11))
2.500 0.800 0.800 peak 224 spectrum 1 weight 0.10000E+01 volume 0.38346E-02 ppm1 1.413 ppm2 1.871 CV 1
ASSI { 226}
( segid "SAP" and resid 143 and name HD1%)
(( segid "SAP" and resid 143 and name HG11))
2.500 0.800 0.800 peak 226 spectrum 1 weight 0.10000E+01 volume 0.61673E-02 ppm1 1.414 ppm2 0.863 CV 1
OR { 226}
( segid "SAP" and resid 143 and name HG2%)
(( segid "SAP" and resid 143 and name HG11))
ASSI { 227}
(( segid "SAP" and resid 141 and name HA ))
( segid "SAP" and resid 143 and name HG2%)
4.000 2.000 2.000 peak 227 spectrum 1 weight 0.10000E+01 volume 0.60715E-03 ppm1 0.898 ppm2 4.324 CV 1
ASSI { 231}
(( segid "SAP" and resid 144 and name HB2 ))
( segid "SAP" and resid 143 and name HG2%)
4.500 2.500 1.500 peak 231 spectrum 1 weight 0.10000E+01 volume 0.40583E-03 ppm1 0.891 ppm2 2.553 CV 1
ASSI { 232}
(( segid "SAP" and resid 144 and name HB1 ))
( segid "SAP" and resid 143 and name HG2%)
5.100 3.300 0.900 peak 232 spectrum 1 weight 0.10000E+01 volume 0.19397E-03 ppm1 0.899 ppm2 2.639 CV 1
ASSI { 233}
(( segid "SAP" and resid 141 and name HG1 ))
( segid "SAP" and resid 143 and name HG2%)
4.600 2.600 1.400 peak 233 spectrum 1 weight 0.10000E+01 volume 0.23232E-03 ppm1 0.896 ppm2 2.308 CV 1
OR { 233}
(( segid "SAP" and resid 141 and name HG2 ))
( segid "SAP" and resid 143 and name HG2%)
ASSI { 234}
(( segid "SAP" and resid 147 and name HG2 ))
( segid "SAP" and resid 143 and name HG2%)
3.900 3.900 2.100 peak 234 spectrum 1 weight 0.10000E+01 volume 0.19588E-03 ppm1 0.899 ppm2 2.177 CV 1
OR { 234}
(( segid "SAP" and resid 147 and name HG1 ))
( segid "SAP" and resid 143 and name HG2%)
ASSI { 236}
(( segid "SAP" and resid 143 and name HG11))
( segid "SAP" and resid 143 and name HG2%)
3.600 1.700 1.700 peak 236 spectrum 1 weight 0.10000E+01 volume 0.15338E-02 ppm1 0.896 ppm2 1.418 CV 1
ASSI { 237}
(( segid "SAP" and resid 143 and name HA ))
( segid "SAP" and resid 143 and name HD1%)
4.100 2.100 1.900 peak 237 spectrum 1 weight 0.10000E+01 volume 0.95225E-03 ppm1 0.850 ppm2 4.201 CV 1
ASSI { 238}
(( segid "SAP" and resid 142 and name HB1 ))
( segid "SAP" and resid 143 and name HD1%)
4.700 2.700 1.300 peak 238 spectrum 1 weight 0.10000E+01 volume 0.25852E-03 ppm1 0.850 ppm2 2.676 CV 1
ASSI { 240}
(( segid "SAP" and resid 143 and name HB ))
( segid "SAP" and resid 143 and name HD1%)
2.800 1.000 1.000 peak 240 spectrum 1 weight 0.10000E+01 volume 0.31955E-02 ppm1 0.850 ppm2 1.873 CV 1
ASSI { 241}
( segid "SAP" and resid 204 and name HG2%)
(( segid "SAP" and resid 208 and name HE2 ))
4.600 2.600 1.400 peak 241 spectrum 1 weight 0.10000E+01 volume 0.22305E-03 ppm1 2.930 ppm2 -0.032 CV 1
OR { 241}
( segid "SAP" and resid 204 and name HG2%)
(( segid "SAP" and resid 208 and name HE1 ))
ASSI { 242}
(( segid "SAP" and resid 143 and name HG11))
( segid "SAP" and resid 143 and name HD1%)
2.400 0.700 0.700 peak 242 spectrum 1 weight 0.10000E+01 volume 0.66466E-02 ppm1 0.850 ppm2 1.412 CV 1
ASSI { 244}
(( segid "SAP" and resid 146 and name HD1 ))
(( segid "SAP" and resid 145 and name HA ))
2.300 0.600 0.600 peak 244 spectrum 1 weight 0.10000E+01 volume 0.74136E-02 ppm1 4.576 ppm2 3.807 CV 1
ASSI { 245}
(( segid "SAP" and resid 146 and name HD2 ))
(( segid "SAP" and resid 145 and name HA ))
2.200 0.600 0.600 peak 245 spectrum 1 weight 0.10000E+01 volume 0.90114E-02 ppm1 4.575 ppm2 3.678 CV 1
ASSI { 247}
(( segid "SAP" and resid 210 and name HB1 ))
(( segid "SAP" and resid 211 and name HA ))
4.500 2.500 1.500 peak 247 spectrum 1 weight 0.10000E+01 volume 0.22880E-03 ppm1 4.392 ppm2 1.840 CV 1
ASSI { 249}
(( segid "SAP" and resid 145 and name HA ))
(( segid "SAP" and resid 145 and name HB ))
2.500 0.800 0.800 peak 249 spectrum 1 weight 0.10000E+01 volume 0.54963E-02 ppm1 4.077 ppm2 4.578 CV 1
ASSI { 250}
(( segid "SAP" and resid 146 and name HD2 ))
(( segid "SAP" and resid 145 and name HB ))
3.600 1.600 1.600 peak 250 spectrum 1 weight 0.10000E+01 volume 0.15626E-02 ppm1 4.077 ppm2 3.691 CV 1
ASSI { 251}
(( segid "SAP" and resid 146 and name HD1 ))
(( segid "SAP" and resid 145 and name HB ))
3.800 1.800 1.800 peak 251 spectrum 1 weight 0.10000E+01 volume 0.11855E-02 ppm1 4.078 ppm2 3.794 CV 1
ASSI { 253}
( segid "SAP" and resid 145 and name HG2%)
(( segid "SAP" and resid 145 and name HB ))
2.300 0.600 0.600 peak 253 spectrum 1 weight 0.10000E+01 volume 0.10386E-01 ppm1 4.079 ppm2 1.216 CV 1
ASSI { 254}
(( segid "SAP" and resid 145 and name HA ))
( segid "SAP" and resid 145 and name HG2%)
2.500 0.800 0.800 peak 254 spectrum 1 weight 0.10000E+01 volume 0.55922E-02 ppm1 1.214 ppm2 4.580 CV 1
ASSI { 256}
(( segid "SAP" and resid 146 and name HD2 ))
( segid "SAP" and resid 145 and name HG2%)
2.800 1.000 1.000 peak 256 spectrum 1 weight 0.10000E+01 volume 0.35151E-02 ppm1 1.216 ppm2 3.700 CV 1
ASSI { 260}
(( segid "SAP" and resid 202 and name HB1 ))
( segid "SAP" and resid 198 and name HG2%)
3.200 1.300 1.300 peak 260 spectrum 1 weight 0.10000E+01 volume 0.15594E-02 ppm1 1.244 ppm2 3.166 CV 1
OR { 260}
(( segid "SAP" and resid 202 and name HB2 ))
( segid "SAP" and resid 198 and name HG2%)
ASSI { 261}
(( segid "SAP" and resid 146 and name HA ))
(( segid "SAP" and resid 146 and name HB1 ))
2.400 0.700 0.700 peak 261 spectrum 1 weight 0.10000E+01 volume 0.53045E-02 ppm1 1.748 ppm2 4.273 CV 1
ASSI { 263}
(( segid "SAP" and resid 198 and name HA ))
( segid "SAP" and resid 198 and name HG2%)
2.400 0.700 0.700 peak 263 spectrum 1 weight 0.10000E+01 volume 0.69662E-02 ppm1 1.247 ppm2 3.876 CV 1
ASSI { 264}
(( segid "SAP" and resid 146 and name HB1 ))
(( segid "SAP" and resid 146 and name HB2 ))
1.800 0.400 0.400 peak 264 spectrum 1 weight 0.10000E+01 volume 0.13773E-01 ppm1 1.046 ppm2 1.748 CV 1
ASSI { 267}
(( segid "SAP" and resid 146 and name HD1 ))
(( segid "SAP" and resid 146 and name HG1 ))
2.300 0.700 0.700 peak 267 spectrum 1 weight 0.10000E+01 volume 0.64550E-02 ppm1 1.861 ppm2 3.791 CV 1
OR { 267}
(( segid "SAP" and resid 146 and name HD1 ))
(( segid "SAP" and resid 146 and name HG2 ))
ASSI { 268}
(( segid "SAP" and resid 146 and name HD2 ))
(( segid "SAP" and resid 146 and name HG2 ))
2.300 0.700 0.700 peak 268 spectrum 1 weight 0.10000E+01 volume 0.64550E-02 ppm1 1.862 ppm2 3.690 CV 1
OR { 268}
(( segid "SAP" and resid 146 and name HD2 ))
(( segid "SAP" and resid 146 and name HG1 ))
ASSI { 272}
( segid "SAP" and resid 145 and name HG2%)
(( segid "SAP" and resid 146 and name HD1 ))
4.200 2.200 1.800 peak 272 spectrum 1 weight 0.10000E+01 volume 0.82446E-03 ppm1 3.789 ppm2 1.211 CV 1
ASSI { 274}
(( segid "SAP" and resid 139 and name HD1 ))
(( segid "SAP" and resid 139 and name HG1 ))
2.200 0.600 0.600 peak 274 spectrum 1 weight 0.10000E+01 volume 0.10098E-01 ppm1 1.980 ppm2 3.773 CV 1
OR { 274}
(( segid "SAP" and resid 139 and name HD1 ))
(( segid "SAP" and resid 139 and name HG2 ))
ASSI { 275}
(( segid "SAP" and resid 139 and name HD2 ))
(( segid "SAP" and resid 139 and name HG2 ))
2.400 0.700 0.700 peak 275 spectrum 1 weight 0.10000E+01 volume 0.67744E-02 ppm1 1.979 ppm2 3.669 CV 1
OR { 275}
(( segid "SAP" and resid 139 and name HD2 ))
(( segid "SAP" and resid 139 and name HG1 ))
ASSI { 276}
(( segid "SAP" and resid 139 and name HB1 ))
(( segid "SAP" and resid 139 and name HG2 ))
2.000 0.500 0.500 peak 276 spectrum 1 weight 0.10000E+01 volume 0.17544E-01 ppm1 1.980 ppm2 2.256 CV 1
OR { 276}
(( segid "SAP" and resid 139 and name HB1 ))
(( segid "SAP" and resid 139 and name HG1 ))
ASSI { 277}
(( segid "SAP" and resid 138 and name HA ))
(( segid "SAP" and resid 139 and name HD1 ))
2.300 0.600 0.600 peak 277 spectrum 1 weight 0.10000E+01 volume 0.87236E-02 ppm1 3.768 ppm2 4.725 CV 1
ASSI { 278}
(( segid "SAP" and resid 138 and name HA ))
(( segid "SAP" and resid 139 and name HD2 ))
2.400 0.700 0.700 peak 278 spectrum 1 weight 0.10000E+01 volume 0.59756E-02 ppm1 3.679 ppm2 4.725 CV 1
ASSI { 281}
(( segid "SAP" and resid 139 and name HB1 ))
(( segid "SAP" and resid 139 and name HD1 ))
3.500 1.600 1.600 peak 281 spectrum 1 weight 0.10000E+01 volume 0.95225E-03 ppm1 3.767 ppm2 2.256 CV 1
ASSI { 282}
(( segid "SAP" and resid 147 and name HG2 ))
(( segid "SAP" and resid 147 and name HA ))
2.800 1.000 1.000 peak 282 spectrum 1 weight 0.10000E+01 volume 0.48252E-02 ppm1 4.534 ppm2 2.197 CV 1
OR { 282}
(( segid "SAP" and resid 147 and name HG1 ))
(( segid "SAP" and resid 147 and name HA ))
ASSI { 283}
(( segid "SAP" and resid 147 and name HB1 ))
(( segid "SAP" and resid 147 and name HA ))
2.400 0.700 0.700 peak 283 spectrum 1 weight 0.10000E+01 volume 0.61673E-02 ppm1 4.537 ppm2 1.953 CV 1
ASSI { 284}
(( segid "SAP" and resid 147 and name HB2 ))
(( segid "SAP" and resid 147 and name HA ))
2.600 0.900 0.900 peak 284 spectrum 1 weight 0.10000E+01 volume 0.48252E-02 ppm1 4.535 ppm2 1.740 CV 1
ASSI { 285}
( segid "SAP" and resid 148 and name HG1%)
(( segid "SAP" and resid 147 and name HA ))
4.300 2.300 1.700 peak 285 spectrum 1 weight 0.10000E+01 volume 0.81803E-03 ppm1 4.534 ppm2 0.968 CV 1
ASSI { 288}
(( segid "SAP" and resid 147 and name HG2 ))
(( segid "SAP" and resid 147 and name HB2 ))
2.200 0.600 0.600 peak 288 spectrum 1 weight 0.10000E+01 volume 0.13038E-01 ppm1 1.741 ppm2 2.203 CV 1
OR { 288}
(( segid "SAP" and resid 147 and name HG1 ))
(( segid "SAP" and resid 147 and name HB2 ))
ASSI { 290}
(( segid "SAP" and resid 147 and name HB1 ))
(( segid "SAP" and resid 147 and name HG1 ))
2.000 0.500 0.500 peak 290 spectrum 1 weight 0.10000E+01 volume 0.21282E-01 ppm1 2.200 ppm2 1.951 CV 1
OR { 290}
(( segid "SAP" and resid 147 and name HB1 ))
(( segid "SAP" and resid 147 and name HG2 ))
ASSI { 292}
( segid "SAP" and resid 145 and name HG2%)
(( segid "SAP" and resid 147 and name HG2 ))
4.200 2.200 1.800 peak 292 spectrum 1 weight 0.10000E+01 volume 0.33872E-03 ppm1 2.214 ppm2 1.214 CV 1
OR { 292}
( segid "SAP" and resid 145 and name HG2%)
(( segid "SAP" and resid 147 and name HG1 ))
ASSI { 293}
( segid "SAP" and resid 148 and name HG1%)
(( segid "SAP" and resid 147 and name HG1 ))
4.300 2.300 1.700 peak 293 spectrum 1 weight 0.10000E+01 volume 0.27225E-03 ppm1 2.215 ppm2 0.966 CV 1
OR { 293}
( segid "SAP" and resid 148 and name HG1%)
(( segid "SAP" and resid 147 and name HG2 ))
ASSI { 294}
(( segid "SAP" and resid 148 and name HB ))
(( segid "SAP" and resid 148 and name HA ))
2.800 1.000 1.000 peak 294 spectrum 1 weight 0.10000E+01 volume 0.18885E-02 ppm1 3.899 ppm2 1.820 CV 1
ASSI { 298}
( segid "SAP" and resid 186 and name HE% )
(( segid "SAP" and resid 148 and name HA ))
5.100 3.300 0.900 peak 298 spectrum 1 weight 0.10000E+01 volume 0.29079E-03 ppm1 3.897 ppm2 -0.867 CV 1
ASSI { 299}
( segid "SAP" and resid 148 and name HG1%)
(( segid "SAP" and resid 148 and name HB ))
2.200 0.600 0.600 peak 299 spectrum 1 weight 0.10000E+01 volume 0.92991E-02 ppm1 1.824 ppm2 0.967 CV 1
ASSI { 300}
( segid "SAP" and resid 148 and name HG2%)
(( segid "SAP" and resid 148 and name HB ))
2.300 0.700 0.700 peak 300 spectrum 1 weight 0.10000E+01 volume 0.72858E-02 ppm1 1.818 ppm2 0.668 CV 1
ASSI { 303}
(( segid "SAP" and resid 198 and name HA ))
(( segid "SAP" and resid 198 and name HB ))
3.100 1.200 1.200 peak 303 spectrum 1 weight 0.10000E+01 volume 0.17671E-02 ppm1 4.276 ppm2 3.865 CV 1
ASSI { 304}
( segid "SAP" and resid 201 and name HD1%)
(( segid "SAP" and resid 198 and name HA ))
3.300 1.400 1.400 peak 304 spectrum 1 weight 0.10000E+01 volume 0.11951E-02 ppm1 3.869 ppm2 1.037 CV 1
OR { 304}
( segid "SAP" and resid 201 and name HG2%)
(( segid "SAP" and resid 198 and name HA ))
ASSI { 305}
(( segid "SAP" and resid 201 and name HB ))
(( segid "SAP" and resid 198 and name HA ))
3.300 1.300 1.300 peak 305 spectrum 1 weight 0.10000E+01 volume 0.98103E-03 ppm1 3.864 ppm2 2.040 CV 1
ASSI { 309}
( segid "SAP" and resid 197 and name HD1%)
( segid "SAP" and resid 197 and name HD2%)
2.200 0.600 0.600 peak 309 spectrum 1 weight 0.10000E+01 volume 0.12590E-01 ppm1 -0.048 ppm2 0.608 CV 1
ASSI { 310}
(( segid "SAP" and resid 165 and name HB1 ))
(( segid "SAP" and resid 165 and name HA ))
2.700 0.900 0.900 peak 310 spectrum 1 weight 0.10000E+01 volume 0.29494E-02 ppm1 4.320 ppm2 2.899 CV 1
ASSI { 312}
(( segid "SAP" and resid 148 and name HA ))
( segid "SAP" and resid 148 and name HG1%)
2.800 0.900 0.900 peak 312 spectrum 1 weight 0.10000E+01 volume 0.50169E-02 ppm1 0.969 ppm2 3.899 CV 1
ASSI { 313}
(( segid "SAP" and resid 148 and name HA ))
( segid "SAP" and resid 148 and name HG2%)
2.400 0.700 0.700 peak 313 spectrum 1 weight 0.10000E+01 volume 0.60715E-02 ppm1 0.664 ppm2 3.897 CV 1
ASSI { 315}
(( segid "SAP" and resid 197 and name HB1 ))
( segid "SAP" and resid 197 and name HD2%)
2.700 0.900 0.900 peak 315 spectrum 1 weight 0.10000E+01 volume 0.25692E-02 ppm1 -0.049 ppm2 1.712 CV 1
ASSI { 316}
(( segid "SAP" and resid 197 and name HG ))
( segid "SAP" and resid 197 and name HD2%)
2.300 0.700 0.700 peak 316 spectrum 1 weight 0.10000E+01 volume 0.61993E-02 ppm1 -0.050 ppm2 1.445 CV 1
ASSI { 318}
(( segid "SAP" and resid 164 and name HB2 ))
(( segid "SAP" and resid 164 and name HA ))
2.800 1.000 1.000 peak 318 spectrum 1 weight 0.10000E+01 volume 0.29654E-02 ppm1 3.945 ppm2 2.617 CV 1
ASSI { 319}
(( segid "SAP" and resid 197 and name HA ))
( segid "SAP" and resid 197 and name HD2%)
2.400 0.700 0.700 peak 319 spectrum 1 weight 0.10000E+01 volume 0.53365E-02 ppm1 -0.044 ppm2 3.835 CV 1
ASSI { 321}
(( segid "SAP" and resid 147 and name HG1 ))
( segid "SAP" and resid 148 and name HG2%)
4.200 2.200 1.800 peak 321 spectrum 1 weight 0.10000E+01 volume 0.49850E-03 ppm1 0.667 ppm2 2.210 CV 1
OR { 321}
(( segid "SAP" and resid 147 and name HG2 ))
( segid "SAP" and resid 148 and name HG2%)
ASSI { 325}
( segid "SAP" and resid 182 and name HG2%)
( segid "SAP" and resid 179 and name HG1%)
3.200 3.200 2.800 peak 325 spectrum 1 weight 0.10000E+01 volume 0.71580E-03 ppm1 0.591 ppm2 -0.184 CV 1
ASSI { 326}
(( segid "SAP" and resid 150 and name HG ))
( segid "SAP" and resid 148 and name HG2%)
2.500 0.800 0.800 peak 326 spectrum 1 weight 0.10000E+01 volume 0.44418E-02 ppm1 0.666 ppm2 1.246 CV 1
ASSI { 327}
(( segid "SAP" and resid 150 and name HG ))
( segid "SAP" and resid 148 and name HG1%)
2.600 0.800 0.800 peak 327 spectrum 1 weight 0.10000E+01 volume 0.40902E-02 ppm1 0.970 ppm2 1.243 CV 1
ASSI { 328}
( segid "SAP" and resid 148 and name HG1%)
( segid "SAP" and resid 148 and name HG2%)
2.200 0.600 0.600 peak 328 spectrum 1 weight 0.10000E+01 volume 0.13229E-01 ppm1 0.664 ppm2 0.972 CV 1
ASSI { 331}
( segid "SAP" and resid 150 and name HD2%)
( segid "SAP" and resid 148 and name HG1%)
3.100 1.200 1.200 peak 331 spectrum 1 weight 0.10000E+01 volume 0.15754E-02 ppm1 0.971 ppm2 0.199 CV 1
ASSI { 332}
( segid "SAP" and resid 150 and name HD2%)
( segid "SAP" and resid 148 and name HG2%)
2.500 0.800 0.800 peak 332 spectrum 1 weight 0.10000E+01 volume 0.55922E-02 ppm1 0.665 ppm2 0.195 CV 1
ASSI { 335}
(( segid "SAP" and resid 149 and name HB1 ))
(( segid "SAP" and resid 149 and name HA ))
2.800 1.000 1.000 peak 335 spectrum 1 weight 0.10000E+01 volume 0.27769E-02 ppm1 4.856 ppm2 2.881 CV 1
ASSI { 336}
(( segid "SAP" and resid 149 and name HB2 ))
(( segid "SAP" and resid 149 and name HA ))
2.800 1.000 1.000 peak 336 spectrum 1 weight 0.10000E+01 volume 0.40263E-02 ppm1 4.857 ppm2 2.493 CV 1
ASSI { 339}
(( segid "SAP" and resid 149 and name HB1 ))
(( segid "SAP" and resid 149 and name HB2 ))
2.100 0.500 0.500 peak 339 spectrum 1 weight 0.10000E+01 volume 0.94904E-02 ppm1 2.492 ppm2 2.883 CV 1
ASSI { 341}
(( segid "SAP" and resid 150 and name HB1 ))
(( segid "SAP" and resid 150 and name HA ))
2.900 1.000 1.000 peak 341 spectrum 1 weight 0.10000E+01 volume 0.15690E-02 ppm1 3.804 ppm2 1.486 CV 1
ASSI { 342}
(( segid "SAP" and resid 150 and name HB2 ))
(( segid "SAP" and resid 150 and name HA ))
3.000 1.100 1.100 peak 342 spectrum 1 weight 0.10000E+01 volume 0.22017E-02 ppm1 3.805 ppm2 1.096 CV 1
ASSI { 343}
(( segid "SAP" and resid 150 and name HG ))
(( segid "SAP" and resid 150 and name HA ))
3.000 1.100 1.100 peak 343 spectrum 1 weight 0.10000E+01 volume 0.20515E-02 ppm1 3.800 ppm2 1.240 CV 1
ASSI { 344}
( segid "SAP" and resid 197 and name HD1%)
(( segid "SAP" and resid 197 and name HG ))
2.700 0.900 0.900 peak 344 spectrum 1 weight 0.10000E+01 volume 0.24861E-02 ppm1 1.445 ppm2 0.600 CV 1
ASSI { 346}
( segid "SAP" and resid 150 and name HD1%)
(( segid "SAP" and resid 150 and name HA ))
3.900 1.900 1.900 peak 346 spectrum 1 weight 0.10000E+01 volume 0.10960E-02 ppm1 3.802 ppm2 0.457 CV 1
ASSI { 347}
(( segid "SAP" and resid 150 and name HB2 ))
(( segid "SAP" and resid 150 and name HB1 ))
2.300 0.700 0.700 peak 347 spectrum 1 weight 0.10000E+01 volume 0.27130E-02 ppm1 1.478 ppm2 1.102 CV 1
ASSI { 354}
(( segid "SAP" and resid 183 and name HA1 ))
( segid "SAP" and resid 150 and name HD1%)
2.900 1.100 1.100 peak 354 spectrum 1 weight 0.10000E+01 volume 0.27290E-02 ppm1 0.442 ppm2 3.918 CV 1
ASSI { 356}
(( segid "SAP" and resid 183 and name HA2 ))
( segid "SAP" and resid 150 and name HD1%)
2.600 0.800 0.800 peak 356 spectrum 1 weight 0.10000E+01 volume 0.31508E-02 ppm1 0.441 ppm2 3.588 CV 1
ASSI { 358}
(( segid "SAP" and resid 179 and name HA ))
( segid "SAP" and resid 150 and name HD1%)
4.300 2.300 1.700 peak 358 spectrum 1 weight 0.10000E+01 volume 0.27673E-03 ppm1 0.443 ppm2 3.185 CV 1
ASSI { 359}
(( segid "SAP" and resid 186 and name HB2 ))
( segid "SAP" and resid 150 and name HD1%)
3.300 1.400 1.400 peak 359 spectrum 1 weight 0.10000E+01 volume 0.11440E-02 ppm1 0.442 ppm2 3.012 CV 1
ASSI { 360}
(( segid "SAP" and resid 182 and name HB ))
( segid "SAP" and resid 150 and name HD1%)
3.000 1.100 1.100 peak 360 spectrum 1 weight 0.10000E+01 volume 0.15466E-02 ppm1 0.441 ppm2 1.691 CV 1
ASSI { 361}
(( segid "SAP" and resid 150 and name HB1 ))
( segid "SAP" and resid 150 and name HD1%)
2.600 0.900 0.900 peak 361 spectrum 1 weight 0.10000E+01 volume 0.39624E-02 ppm1 0.445 ppm2 1.483 CV 1
ASSI { 362}
(( segid "SAP" and resid 150 and name HG ))
( segid "SAP" and resid 150 and name HD1%)
2.400 0.700 0.700 peak 362 spectrum 1 weight 0.10000E+01 volume 0.48572E-02 ppm1 0.443 ppm2 1.255 CV 1
ASSI { 363}
(( segid "SAP" and resid 150 and name HB2 ))
( segid "SAP" and resid 150 and name HD1%)
2.600 0.800 0.800 peak 363 spectrum 1 weight 0.10000E+01 volume 0.33553E-02 ppm1 0.443 ppm2 1.093 CV 1
ASSI { 365}
( segid "SAP" and resid 182 and name HG2%)
( segid "SAP" and resid 150 and name HD1%)
3.200 1.300 1.300 peak 365 spectrum 1 weight 0.10000E+01 volume 0.43459E-02 ppm1 0.443 ppm2 -0.194 CV 1
ASSI { 367}
(( segid "SAP" and resid 163 and name HG2 ))
(( segid "SAP" and resid 163 and name HA ))
2.900 1.000 1.000 peak 367 spectrum 1 weight 0.10000E+01 volume 0.27801E-02 ppm1 4.160 ppm2 1.596 CV 1
ASSI { 368}
(( segid "SAP" and resid 150 and name HA ))
( segid "SAP" and resid 150 and name HD2%)
2.400 0.700 0.700 peak 368 spectrum 1 weight 0.10000E+01 volume 0.53685E-02 ppm1 0.196 ppm2 3.802 CV 1
ASSI { 370}
(( segid "SAP" and resid 163 and name HB1 ))
(( segid "SAP" and resid 163 and name HA ))
2.300 0.700 0.700 peak 370 spectrum 1 weight 0.10000E+01 volume 0.81803E-02 ppm1 4.166 ppm2 1.950 CV 1
OR { 370}
(( segid "SAP" and resid 163 and name HB2 ))
(( segid "SAP" and resid 163 and name HA ))
ASSI { 371}
(( segid "SAP" and resid 148 and name HB ))
( segid "SAP" and resid 150 and name HD2%)
3.600 1.600 1.600 peak 371 spectrum 1 weight 0.10000E+01 volume 0.14092E-02 ppm1 0.195 ppm2 1.807 CV 1
ASSI { 372}
(( segid "SAP" and resid 153 and name HG ))
( segid "SAP" and resid 150 and name HD2%)
3.500 1.500 1.500 peak 372 spectrum 1 weight 0.10000E+01 volume 0.14092E-02 ppm1 0.196 ppm2 1.632 CV 1
ASSI { 373}
(( segid "SAP" and resid 150 and name HB1 ))
( segid "SAP" and resid 150 and name HD2%)
2.600 0.800 0.800 peak 373 spectrum 1 weight 0.10000E+01 volume 0.32594E-02 ppm1 0.194 ppm2 1.485 CV 1
ASSI { 375}
(( segid "SAP" and resid 150 and name HG ))
( segid "SAP" and resid 150 and name HD2%)
2.200 0.600 0.600 peak 375 spectrum 1 weight 0.10000E+01 volume 0.89792E-02 ppm1 0.194 ppm2 1.245 CV 1
ASSI { 377}
(( segid "SAP" and resid 197 and name HB2 ))
(( segid "SAP" and resid 197 and name HA ))
3.100 1.200 1.200 peak 377 spectrum 1 weight 0.10000E+01 volume 0.21953E-02 ppm1 3.831 ppm2 1.149 CV 1
ASSI { 379}
( segid "SAP" and resid 150 and name HD1%)
( segid "SAP" and resid 150 and name HD2%)
2.200 0.600 0.600 peak 379 spectrum 1 weight 0.10000E+01 volume 0.11919E-01 ppm1 0.194 ppm2 0.449 CV 1
ASSI { 380}
( segid "SAP" and resid 182 and name HG2%)
( segid "SAP" and resid 150 and name HD2%)
3.300 1.300 1.300 peak 380 spectrum 1 weight 0.10000E+01 volume 0.24829E-02 ppm1 0.197 ppm2 -0.194 CV 1
ASSI { 381}
(( segid "SAP" and resid 197 and name HB1 ))
(( segid "SAP" and resid 197 and name HA ))
2.800 1.000 1.000 peak 381 spectrum 1 weight 0.10000E+01 volume 0.17927E-02 ppm1 3.834 ppm2 1.707 CV 1
ASSI { 382}
(( segid "SAP" and resid 200 and name HB2 ))
(( segid "SAP" and resid 197 and name HA ))
3.500 1.600 1.600 peak 382 spectrum 1 weight 0.10000E+01 volume 0.15754E-02 ppm1 3.828 ppm2 3.273 CV 1
ASSI { 384}
(( segid "SAP" and resid 175 and name HE2 ))
(( segid "SAP" and resid 151 and name HA ))
3.000 1.100 1.100 peak 384 spectrum 1 weight 0.10000E+01 volume 0.14188E-02 ppm1 3.825 ppm2 2.523 CV 1
ASSI { 385}
( segid "SAP" and resid 158 and name HD1%)
(( segid "SAP" and resid 151 and name HA ))
3.800 1.800 1.800 peak 385 spectrum 1 weight 0.10000E+01 volume 0.67105E-03 ppm1 3.822 ppm2 0.694 CV 1
ASSI { 386}
( segid "SAP" and resid 179 and name HG1%)
(( segid "SAP" and resid 151 and name HA ))
2.600 0.800 0.800 peak 386 spectrum 1 weight 0.10000E+01 volume 0.47933E-02 ppm1 3.824 ppm2 0.587 CV 1
ASSI { 387}
( segid "SAP" and resid 179 and name HG2%)
(( segid "SAP" and resid 151 and name HA ))
3.000 1.100 1.100 peak 387 spectrum 1 weight 0.10000E+01 volume 0.15914E-02 ppm1 3.820 ppm2 0.476 CV 1
ASSI { 388}
(( segid "SAP" and resid 151 and name HA ))
(( segid "SAP" and resid 151 and name HB1 ))
2.900 1.000 1.000 peak 388 spectrum 1 weight 0.10000E+01 volume 0.38346E-02 ppm1 3.192 ppm2 3.827 CV 1
ASSI { 389}
(( segid "SAP" and resid 151 and name HA ))
(( segid "SAP" and resid 151 and name HB2 ))
2.600 0.800 0.800 peak 389 spectrum 1 weight 0.10000E+01 volume 0.36109E-02 ppm1 3.041 ppm2 3.829 CV 1
ASSI { 395}
(( segid "SAP" and resid 153 and name HB2 ))
(( segid "SAP" and resid 153 and name HA ))
3.000 1.100 1.100 peak 395 spectrum 1 weight 0.10000E+01 volume 0.24957E-02 ppm1 4.445 ppm2 1.196 CV 1
ASSI { 396}
(( segid "SAP" and resid 153 and name HB2 ))
(( segid "SAP" and resid 153 and name HB1 ))
2.300 0.700 0.700 peak 396 spectrum 1 weight 0.10000E+01 volume 0.28280E-02 ppm1 1.875 ppm2 1.191 CV 1
ASSI { 397}
(( segid "SAP" and resid 170 and name HD1 ))
(( segid "SAP" and resid 170 and name HG1 ))
2.300 0.600 0.600 peak 397 spectrum 1 weight 0.10000E+01 volume 0.91713E-02 ppm1 1.626 ppm2 3.167 CV 1
OR { 397}
(( segid "SAP" and resid 170 and name HD2 ))
(( segid "SAP" and resid 170 and name HG2 ))
OR { 397}
(( segid "SAP" and resid 170 and name HD1 ))
(( segid "SAP" and resid 170 and name HG2 ))
OR { 397}
(( segid "SAP" and resid 170 and name HD2 ))
(( segid "SAP" and resid 170 and name HG1 ))
ASSI { 399}
(( segid "SAP" and resid 157 and name HA ))
( segid "SAP" and resid 153 and name HD1%)
5.000 3.200 1.000 peak 399 spectrum 1 weight 0.10000E+01 volume 0.23359E-03 ppm1 0.886 ppm2 4.134 CV 1
ASSI { 400}
(( segid "SAP" and resid 200 and name HB1 ))
(( segid "SAP" and resid 197 and name HA ))
2.900 1.000 1.000 peak 400 spectrum 1 weight 0.10000E+01 volume 0.14060E-02 ppm1 3.828 ppm2 3.607 CV 1
ASSI { 402}
(( segid "SAP" and resid 161 and name HB2 ))
(( segid "SAP" and resid 161 and name HA ))
2.700 0.900 0.900 peak 402 spectrum 1 weight 0.10000E+01 volume 0.31316E-02 ppm1 3.866 ppm2 2.652 CV 1
OR { 402}
(( segid "SAP" and resid 161 and name HB1 ))
(( segid "SAP" and resid 161 and name HA ))
ASSI { 403}
(( segid "SAP" and resid 213 and name HA ))
(( segid "SAP" and resid 213 and name HG ))
3.300 1.400 1.400 peak 403 spectrum 1 weight 0.10000E+01 volume 0.13581E-02 ppm1 1.577 ppm2 4.267 CV 1
ASSI { 405}
(( segid "SAP" and resid 213 and name HA ))
( segid "SAP" and resid 213 and name HD1%)
3.700 1.700 1.700 peak 405 spectrum 1 weight 0.10000E+01 volume 0.63910E-03 ppm1 0.874 ppm2 4.253 CV 1
ASSI { 406}
(( segid "SAP" and resid 153 and name HG ))
( segid "SAP" and resid 153 and name HD1%)
2.300 0.700 0.700 peak 406 spectrum 1 weight 0.10000E+01 volume 0.55922E-02 ppm1 0.886 ppm2 1.626 CV 1
ASSI { 408}
(( segid "SAP" and resid 153 and name HA ))
( segid "SAP" and resid 153 and name HD2%)
2.900 1.000 1.000 peak 408 spectrum 1 weight 0.10000E+01 volume 0.17512E-02 ppm1 0.753 ppm2 4.429 CV 1
ASSI { 409}
(( segid "SAP" and resid 150 and name HA ))
( segid "SAP" and resid 153 and name HD2%)
3.600 1.600 1.600 peak 409 spectrum 1 weight 0.10000E+01 volume 0.17607E-02 ppm1 0.749 ppm2 3.806 CV 1
ASSI { 410}
( segid "SAP" and resid 150 and name HD2%)
( segid "SAP" and resid 153 and name HD2%)
3.200 1.200 1.200 peak 410 spectrum 1 weight 0.10000E+01 volume 0.43139E-02 ppm1 0.754 ppm2 0.195 CV 1
ASSI { 412}
( segid "SAP" and resid 182 and name HG2%)
( segid "SAP" and resid 178 and name HD2%)
3.400 1.500 1.500 peak 412 spectrum 1 weight 0.10000E+01 volume 0.44418E-03 ppm1 0.751 ppm2 -0.193 CV 1
ASSI { 413}
(( segid "SAP" and resid 213 and name HB2 ))
(( segid "SAP" and resid 213 and name HA ))
2.400 0.700 0.700 peak 413 spectrum 1 weight 0.10000E+01 volume 0.84680E-02 ppm1 4.258 ppm2 1.581 CV 1
OR { 413}
(( segid "SAP" and resid 213 and name HB1 ))
(( segid "SAP" and resid 213 and name HA ))
OR { 413}
(( segid "SAP" and resid 213 and name HG ))
(( segid "SAP" and resid 213 and name HA ))
ASSI { 414}
( segid "SAP" and resid 213 and name HD2%)
(( segid "SAP" and resid 213 and name HA ))
2.700 0.900 0.900 peak 414 spectrum 1 weight 0.10000E+01 volume 0.43139E-02 ppm1 4.259 ppm2 0.821 CV 1
ASSI { 418}
(( segid "SAP" and resid 154 and name HG2 ))
(( segid "SAP" and resid 154 and name HB2 ))
2.200 0.600 0.600 peak 418 spectrum 1 weight 0.10000E+01 volume 0.96503E-02 ppm1 2.157 ppm2 2.613 CV 1
OR { 418}
(( segid "SAP" and resid 154 and name HG1 ))
(( segid "SAP" and resid 154 and name HB2 ))
ASSI { 419}
(( segid "SAP" and resid 154 and name HG1 ))
(( segid "SAP" and resid 154 and name HB1 ))
2.400 0.700 0.700 peak 419 spectrum 1 weight 0.10000E+01 volume 0.73497E-02 ppm1 2.398 ppm2 2.613 CV 1
OR { 419}
(( segid "SAP" and resid 154 and name HG2 ))
(( segid "SAP" and resid 154 and name HB1 ))
ASSI { 420}
(( segid "SAP" and resid 154 and name HB2 ))
(( segid "SAP" and resid 154 and name HB1 ))
1.900 0.400 0.400 peak 420 spectrum 1 weight 0.10000E+01 volume 0.12079E-01 ppm1 2.395 ppm2 2.161 CV 1
ASSI { 424}
(( segid "SAP" and resid 158 and name HB2 ))
(( segid "SAP" and resid 155 and name HA ))
3.000 1.100 1.100 peak 424 spectrum 1 weight 0.10000E+01 volume 0.12111E-02 ppm1 3.619 ppm2 1.185 CV 1
ASSI { 425}
( segid "SAP" and resid 178 and name HD1%)
(( segid "SAP" and resid 155 and name HA ))
3.000 1.200 1.200 peak 425 spectrum 1 weight 0.10000E+01 volume 0.14252E-02 ppm1 3.616 ppm2 0.807 CV 1
ASSI { 426}
( segid "SAP" and resid 158 and name HD1%)
(( segid "SAP" and resid 155 and name HA ))
2.400 0.700 0.700 peak 426 spectrum 1 weight 0.10000E+01 volume 0.53365E-02 ppm1 3.620 ppm2 0.664 CV 1
ASSI { 427}
(( segid "SAP" and resid 155 and name HA ))
(( segid "SAP" and resid 155 and name HB ))
2.500 0.800 0.800 peak 427 spectrum 1 weight 0.10000E+01 volume 0.46974E-02 ppm1 2.085 ppm2 3.621 CV 1
ASSI { 434}
(( segid "SAP" and resid 196 and name HB ))
( segid "SAP" and resid 196 and name HG2%)
2.200 0.600 0.600 peak 434 spectrum 1 weight 0.10000E+01 volume 0.86280E-02 ppm1 1.041 ppm2 4.049 CV 1
ASSI { 435}
(( segid "SAP" and resid 155 and name HA ))
( segid "SAP" and resid 155 and name HG1%)
2.400 0.700 0.700 peak 435 spectrum 1 weight 0.10000E+01 volume 0.78612E-02 ppm1 1.044 ppm2 3.623 CV 1
ASSI { 437}
(( segid "SAP" and resid 159 and name HD1 ))
( segid "SAP" and resid 155 and name HG1%)
3.100 1.200 1.200 peak 437 spectrum 1 weight 0.10000E+01 volume 0.19141E-02 ppm1 1.040 ppm2 3.179 CV 1
OR { 437}
(( segid "SAP" and resid 159 and name HD2 ))
( segid "SAP" and resid 155 and name HG1%)
ASSI { 438}
(( segid "SAP" and resid 156 and name HA ))
( segid "SAP" and resid 155 and name HG1%)
3.800 1.800 1.800 peak 438 spectrum 1 weight 0.10000E+01 volume 0.55602E-03 ppm1 1.041 ppm2 4.443 CV 1
ASSI { 440}
(( segid "SAP" and resid 175 and name HE1 ))
( segid "SAP" and resid 155 and name HG1%)
3.000 3.000 3.000 peak 440 spectrum 1 weight 0.10000E+01 volume 0.27577E-02 ppm1 1.042 ppm2 2.709 CV 1
ASSI { 443}
(( segid "SAP" and resid 155 and name HB ))
( segid "SAP" and resid 155 and name HG1%)
2.300 0.600 0.600 peak 443 spectrum 1 weight 0.10000E+01 volume 0.98424E-02 ppm1 1.043 ppm2 2.090 CV 1
ASSI { 446}
( segid "SAP" and resid 178 and name HD1%)
( segid "SAP" and resid 155 and name HG1%)
2.400 0.700 0.700 peak 446 spectrum 1 weight 0.10000E+01 volume 0.80204E-02 ppm1 1.042 ppm2 0.806 CV 1
ASSI { 447}
( segid "SAP" and resid 191 and name HG2%)
( segid "SAP" and resid 196 and name HG2%)
2.600 0.800 0.800 peak 447 spectrum 1 weight 0.10000E+01 volume 0.73816E-02 ppm1 1.042 ppm2 0.678 CV 1
ASSI { 448}
(( segid "SAP" and resid 199 and name HB1 ))
(( segid "SAP" and resid 196 and name HA ))
4.400 2.400 1.600 peak 448 spectrum 1 weight 0.10000E+01 volume 0.44418E-03 ppm1 3.750 ppm2 3.161 CV 1
ASSI { 449}
(( segid "SAP" and resid 196 and name HB ))
(( segid "SAP" and resid 196 and name HA ))
3.600 1.600 1.600 peak 449 spectrum 1 weight 0.10000E+01 volume 0.62312E-03 ppm1 3.750 ppm2 4.041 CV 1
ASSI { 451}
( segid "SAP" and resid 198 and name HG2%)
(( segid "SAP" and resid 195 and name HA ))
4.000 2.000 2.000 peak 451 spectrum 1 weight 0.10000E+01 volume 0.74136E-03 ppm1 4.362 ppm2 1.246 CV 1
ASSI { 452}
( segid "SAP" and resid 197 and name HD2%)
( segid "SAP" and resid 196 and name HG2%)
3.500 1.600 1.600 peak 452 spectrum 1 weight 0.10000E+01 volume 0.10865E-02 ppm1 1.036 ppm2 -0.046 CV 1
ASSI { 455}
(( segid "SAP" and resid 140 and name HA ))
( segid "SAP" and resid 140 and name HG1%)
3.000 1.200 1.200 peak 455 spectrum 1 weight 0.10000E+01 volume 0.20547E-02 ppm1 0.912 ppm2 4.048 CV 1
ASSI { 456}
(( segid "SAP" and resid 175 and name HA ))
( segid "SAP" and resid 155 and name HG2%)
3.400 1.400 1.400 peak 456 spectrum 1 weight 0.10000E+01 volume 0.11248E-02 ppm1 0.944 ppm2 3.752 CV 1
ASSI { 457}
(( segid "SAP" and resid 155 and name HA ))
( segid "SAP" and resid 155 and name HG2%)
2.700 0.900 0.900 peak 457 spectrum 1 weight 0.10000E+01 volume 0.40263E-02 ppm1 0.951 ppm2 3.623 CV 1
ASSI { 458}
(( segid "SAP" and resid 159 and name HD1 ))
( segid "SAP" and resid 155 and name HG2%)
2.700 2.700 3.300 peak 458 spectrum 1 weight 0.10000E+01 volume 0.40583E-02 ppm1 0.949 ppm2 3.183 CV 1
OR { 458}
(( segid "SAP" and resid 159 and name HD2 ))
( segid "SAP" and resid 155 and name HG2%)
ASSI { 467}
(( segid "SAP" and resid 194 and name HG2 ))
(( segid "SAP" and resid 195 and name HA ))
4.600 2.700 1.400 peak 467 spectrum 1 weight 0.10000E+01 volume 0.25116E-03 ppm1 4.364 ppm2 1.411 CV 1
ASSI { 468}
(( segid "SAP" and resid 159 and name HB2 ))
(( segid "SAP" and resid 156 and name HA ))
2.500 0.800 0.800 peak 468 spectrum 1 weight 0.10000E+01 volume 0.60075E-02 ppm1 4.439 ppm2 1.905 CV 1
OR { 468}
(( segid "SAP" and resid 159 and name HG1 ))
(( segid "SAP" and resid 156 and name HA ))
OR { 468}
(( segid "SAP" and resid 159 and name HB1 ))
(( segid "SAP" and resid 156 and name HA ))
ASSI { 469}
( segid "SAP" and resid 155 and name HG2%)
(( segid "SAP" and resid 156 and name HA ))
3.600 1.600 1.600 peak 469 spectrum 1 weight 0.10000E+01 volume 0.96503E-03 ppm1 4.437 ppm2 0.950 CV 1
ASSI { 470}
(( segid "SAP" and resid 156 and name HA ))
(( segid "SAP" and resid 156 and name HB2 ))
2.600 0.800 0.800 peak 470 spectrum 1 weight 0.10000E+01 volume 0.55283E-02 ppm1 2.806 ppm2 4.445 CV 1
ASSI { 471}
(( segid "SAP" and resid 156 and name HA ))
(( segid "SAP" and resid 156 and name HB1 ))
2.400 0.700 0.700 peak 471 spectrum 1 weight 0.10000E+01 volume 0.70621E-02 ppm1 2.883 ppm2 4.446 CV 1
ASSI { 473}
(( segid "SAP" and resid 160 and name HB2 ))
(( segid "SAP" and resid 157 and name HA ))
3.100 1.200 1.200 peak 473 spectrum 1 weight 0.10000E+01 volume 0.16137E-02 ppm1 4.152 ppm2 2.119 CV 1
ASSI { 474}
(( segid "SAP" and resid 160 and name HB1 ))
(( segid "SAP" and resid 157 and name HA ))
2.800 1.000 1.000 peak 474 spectrum 1 weight 0.10000E+01 volume 0.20643E-02 ppm1 4.153 ppm2 2.234 CV 1
ASSI { 476}
(( segid "SAP" and resid 157 and name HA ))
(( segid "SAP" and resid 157 and name HB ))
3.100 1.200 1.200 peak 476 spectrum 1 weight 0.10000E+01 volume 0.16840E-02 ppm1 4.403 ppm2 4.149 CV 1
ASSI { 477}
( segid "SAP" and resid 153 and name HD1%)
(( segid "SAP" and resid 157 and name HB ))
3.900 1.900 1.900 peak 477 spectrum 1 weight 0.10000E+01 volume 0.64230E-03 ppm1 4.403 ppm2 0.887 CV 1
ASSI { 478}
( segid "SAP" and resid 153 and name HD2%)
(( segid "SAP" and resid 157 and name HB ))
3.500 1.500 1.500 peak 478 spectrum 1 weight 0.10000E+01 volume 0.10514E-02 ppm1 4.409 ppm2 0.764 CV 1
ASSI { 479}
( segid "SAP" and resid 158 and name HD2%)
(( segid "SAP" and resid 157 and name HB ))
4.400 2.400 1.600 peak 479 spectrum 1 weight 0.10000E+01 volume 0.38985E-03 ppm1 4.404 ppm2 0.663 CV 1
OR { 479}
( segid "SAP" and resid 158 and name HD1%)
(( segid "SAP" and resid 157 and name HB ))
ASSI { 480}
(( segid "SAP" and resid 153 and name HB1 ))
(( segid "SAP" and resid 157 and name HB ))
3.400 1.500 1.500 peak 480 spectrum 1 weight 0.10000E+01 volume 0.43459E-03 ppm1 4.402 ppm2 1.878 CV 1
ASSI { 481}
( segid "SAP" and resid 191 and name HG2%)
(( segid "SAP" and resid 193 and name HA ))
3.600 1.600 1.600 peak 481 spectrum 1 weight 0.10000E+01 volume 0.10162E-02 ppm1 3.522 ppm2 0.679 CV 1
ASSI { 482}
(( segid "SAP" and resid 157 and name HB ))
( segid "SAP" and resid 157 and name HG2%)
2.200 0.600 0.600 peak 482 spectrum 1 weight 0.10000E+01 volume 0.99702E-02 ppm1 1.444 ppm2 4.421 CV 1
ASSI { 483}
(( segid "SAP" and resid 157 and name HA ))
( segid "SAP" and resid 157 and name HG2%)
2.400 0.700 0.700 peak 483 spectrum 1 weight 0.10000E+01 volume 0.60715E-02 ppm1 1.444 ppm2 4.154 CV 1
ASSI { 484}
(( segid "SAP" and resid 160 and name HD2 ))
( segid "SAP" and resid 157 and name HG2%)
3.600 1.700 1.700 peak 484 spectrum 1 weight 0.10000E+01 volume 0.75735E-03 ppm1 1.449 ppm2 3.453 CV 1
OR { 484}
(( segid "SAP" and resid 160 and name HD1 ))
( segid "SAP" and resid 157 and name HG2%)
ASSI { 487}
( segid "SAP" and resid 158 and name HD2%)
( segid "SAP" and resid 157 and name HG2%)
3.100 1.200 1.200 peak 487 spectrum 1 weight 0.10000E+01 volume 0.23966E-02 ppm1 1.443 ppm2 0.659 CV 1
OR { 487}
( segid "SAP" and resid 158 and name HD1%)
( segid "SAP" and resid 157 and name HG2%)
ASSI { 488}
( segid "SAP" and resid 196 and name HG2%)
(( segid "SAP" and resid 193 and name HA ))
4.300 2.300 1.700 peak 488 spectrum 1 weight 0.10000E+01 volume 0.43139E-03 ppm1 3.522 ppm2 1.040 CV 1
ASSI { 489}
(( segid "SAP" and resid 193 and name HB1 ))
(( segid "SAP" and resid 193 and name HA ))
2.300 0.700 0.700 peak 489 spectrum 1 weight 0.10000E+01 volume 0.79569E-02 ppm1 3.522 ppm2 2.041 CV 1
OR { 489}
(( segid "SAP" and resid 193 and name HG2 ))
(( segid "SAP" and resid 193 and name HA ))
OR { 489}
(( segid "SAP" and resid 193 and name HB2 ))
(( segid "SAP" and resid 193 and name HA ))
ASSI { 490}
(( segid "SAP" and resid 161 and name HB1 ))
(( segid "SAP" and resid 158 and name HA ))
3.700 1.700 1.700 peak 490 spectrum 1 weight 0.10000E+01 volume 0.44737E-03 ppm1 3.930 ppm2 2.663 CV 1
OR { 490}
(( segid "SAP" and resid 161 and name HB2 ))
(( segid "SAP" and resid 158 and name HA ))
ASSI { 491}
(( segid "SAP" and resid 158 and name HB2 ))
(( segid "SAP" and resid 158 and name HA ))
3.300 1.400 1.400 peak 491 spectrum 1 weight 0.10000E+01 volume 0.12878E-02 ppm1 3.926 ppm2 1.175 CV 1
ASSI { 493}
(( segid "SAP" and resid 158 and name HB2 ))
(( segid "SAP" and resid 158 and name HB1 ))
2.200 0.600 0.600 peak 493 spectrum 1 weight 0.10000E+01 volume 0.24797E-02 ppm1 2.074 ppm2 1.193 CV 1
ASSI { 501}
(( segid "SAP" and resid 160 and name HA ))
(( segid "SAP" and resid 160 and name HG1 ))
2.800 1.000 1.000 peak 501 spectrum 1 weight 0.10000E+01 volume 0.20164E-02 ppm1 1.874 ppm2 4.001 CV 1
ASSI { 503}
(( segid "SAP" and resid 160 and name HG2 ))
(( segid "SAP" and resid 160 and name HG1 ))
1.900 0.400 0.400 peak 503 spectrum 1 weight 0.10000E+01 volume 0.10865E-01 ppm1 1.872 ppm2 1.554 CV 1
ASSI { 505}
(( segid "SAP" and resid 160 and name HB1 ))
(( segid "SAP" and resid 160 and name HG2 ))
2.900 1.100 1.100 peak 505 spectrum 1 weight 0.10000E+01 volume 0.10928E-02 ppm1 1.550 ppm2 2.223 CV 1
ASSI { 506}
(( segid "SAP" and resid 193 and name HG1 ))
(( segid "SAP" and resid 193 and name HA ))
2.600 0.800 0.800 peak 506 spectrum 1 weight 0.10000E+01 volume 0.31700E-02 ppm1 3.525 ppm2 2.217 CV 1
ASSI { 507}
(( segid "SAP" and resid 196 and name HB ))
(( segid "SAP" and resid 193 and name HA ))
3.000 1.100 1.100 peak 507 spectrum 1 weight 0.10000E+01 volume 0.14476E-02 ppm1 3.519 ppm2 4.049 CV 1
ASSI { 508}
(( segid "SAP" and resid 192 and name HB1 ))
(( segid "SAP" and resid 192 and name HB2 ))
1.700 0.400 0.500 peak 508 spectrum 1 weight 0.10000E+01 volume 0.23487E-01 ppm1 2.615 ppm2 2.903 CV 1
ASSI { 509}
( segid "SAP" and resid 191 and name HG2%)
(( segid "SAP" and resid 192 and name HA ))
3.700 1.700 1.700 peak 509 spectrum 1 weight 0.10000E+01 volume 0.69982E-03 ppm1 4.745 ppm2 0.677 CV 1
ASSI { 510}
(( segid "SAP" and resid 192 and name HB1 ))
(( segid "SAP" and resid 192 and name HA ))
2.500 0.800 0.800 peak 510 spectrum 1 weight 0.10000E+01 volume 0.45057E-02 ppm1 4.753 ppm2 2.899 CV 1
ASSI { 512}
(( segid "SAP" and resid 154 and name HB2 ))
(( segid "SAP" and resid 154 and name HA ))
2.900 1.000 1.000 peak 512 spectrum 1 weight 0.10000E+01 volume 0.39305E-02 ppm1 4.260 ppm2 2.159 CV 1
ASSI { 513}
(( segid "SAP" and resid 154 and name HB1 ))
(( segid "SAP" and resid 154 and name HA ))
2.400 0.700 0.700 peak 513 spectrum 1 weight 0.10000E+01 volume 0.60395E-02 ppm1 4.259 ppm2 2.399 CV 1
ASSI { 514}
(( segid "SAP" and resid 191 and name HA ))
( segid "SAP" and resid 191 and name HG1%)
2.600 0.800 0.800 peak 514 spectrum 1 weight 0.10000E+01 volume 0.68384E-02 ppm1 0.737 ppm2 3.976 CV 1
ASSI { 515}
(( segid "SAP" and resid 154 and name HG1 ))
(( segid "SAP" and resid 154 and name HA ))
2.500 0.800 0.800 peak 515 spectrum 1 weight 0.10000E+01 volume 0.69662E-02 ppm1 4.259 ppm2 2.621 CV 1
OR { 515}
(( segid "SAP" and resid 154 and name HG2 ))
(( segid "SAP" and resid 154 and name HA ))
ASSI { 516}
( segid "SAP" and resid 153 and name HD1%)
(( segid "SAP" and resid 153 and name HA ))
3.000 1.100 1.100 peak 516 spectrum 1 weight 0.10000E+01 volume 0.62952E-02 ppm1 4.442 ppm2 0.887 CV 1
ASSI { 517}
(( segid "SAP" and resid 162 and name HA ))
(( segid "SAP" and resid 162 and name HB2 ))
2.600 0.800 0.800 peak 517 spectrum 1 weight 0.10000E+01 volume 0.37068E-02 ppm1 2.109 ppm2 3.943 CV 1
OR { 517}
(( segid "SAP" and resid 162 and name HA ))
(( segid "SAP" and resid 162 and name HB1 ))
ASSI { 518}
(( segid "SAP" and resid 166 and name HA ))
(( segid "SAP" and resid 163 and name HA ))
3.500 1.600 1.600 peak 518 spectrum 1 weight 0.10000E+01 volume 0.67105E-03 ppm1 4.163 ppm2 3.846 CV 1
ASSI { 519}
(( segid "SAP" and resid 163 and name HG1 ))
(( segid "SAP" and resid 163 and name HA ))
2.800 1.000 1.000 peak 519 spectrum 1 weight 0.10000E+01 volume 0.30485E-02 ppm1 4.161 ppm2 1.829 CV 1
ASSI { 521}
(( segid "SAP" and resid 163 and name HD1 ))
(( segid "SAP" and resid 163 and name HB2 ))
2.400 0.700 0.700 peak 521 spectrum 1 weight 0.10000E+01 volume 0.73497E-02 ppm1 1.935 ppm2 3.212 CV 1
OR { 521}
(( segid "SAP" and resid 163 and name HD1 ))
(( segid "SAP" and resid 163 and name HB1 ))
ASSI { 524}
(( segid "SAP" and resid 163 and name HD1 ))
(( segid "SAP" and resid 163 and name HG2 ))
2.200 0.600 0.600 peak 524 spectrum 1 weight 0.10000E+01 volume 0.10449E-01 ppm1 1.598 ppm2 3.230 CV 1
ASSI { 526}
(( segid "SAP" and resid 195 and name HB2 ))
(( segid "SAP" and resid 194 and name HA ))
4.100 2.100 1.900 peak 526 spectrum 1 weight 0.10000E+01 volume 0.73816E-03 ppm1 3.944 ppm2 2.497 CV 1
ASSI { 528}
(( segid "SAP" and resid 152 and name HG2 ))
(( segid "SAP" and resid 152 and name HA ))
2.700 0.900 0.900 peak 528 spectrum 1 weight 0.10000E+01 volume 0.45696E-02 ppm1 4.079 ppm2 2.319 CV 1
OR { 528}
(( segid "SAP" and resid 152 and name HG1 ))
(( segid "SAP" and resid 152 and name HA ))
ASSI { 529}
(( segid "SAP" and resid 165 and name HB2 ))
(( segid "SAP" and resid 165 and name HA ))
3.300 1.400 1.400 peak 529 spectrum 1 weight 0.10000E+01 volume 0.13805E-02 ppm1 4.322 ppm2 2.074 CV 1
ASSI { 531}
(( segid "SAP" and resid 165 and name HB2 ))
(( segid "SAP" and resid 165 and name HB1 ))
2.200 0.600 0.600 peak 531 spectrum 1 weight 0.10000E+01 volume 0.47294E-02 ppm1 2.890 ppm2 2.077 CV 1
ASSI { 533}
(( segid "SAP" and resid 166 and name HB2 ))
(( segid "SAP" and resid 166 and name HB1 ))
1.900 0.500 0.500 peak 533 spectrum 1 weight 0.10000E+01 volume 0.12079E-01 ppm1 2.012 ppm2 1.788 CV 1
ASSI { 537}
(( segid "SAP" and resid 166 and name HB1 ))
(( segid "SAP" and resid 166 and name HG2 ))
2.600 0.800 0.800 peak 537 spectrum 1 weight 0.10000E+01 volume 0.49850E-02 ppm1 1.265 ppm2 2.012 CV 1
OR { 537}
(( segid "SAP" and resid 166 and name HB1 ))
(( segid "SAP" and resid 166 and name HG1 ))
ASSI { 538}
(( segid "SAP" and resid 168 and name HD1 ))
(( segid "SAP" and resid 167 and name HA ))
2.400 0.700 0.700 peak 538 spectrum 1 weight 0.10000E+01 volume 0.48891E-02 ppm1 4.539 ppm2 4.017 CV 1
ASSI { 540}
( segid "SAP" and resid 167 and name HD1%)
(( segid "SAP" and resid 167 and name HA ))
3.800 1.800 1.800 peak 540 spectrum 1 weight 0.10000E+01 volume 0.13325E-02 ppm1 4.540 ppm2 0.874 CV 1
ASSI { 542}
(( segid "SAP" and resid 167 and name HA ))
( segid "SAP" and resid 167 and name HD2%)
2.300 0.600 0.600 peak 542 spectrum 1 weight 0.10000E+01 volume 0.79890E-02 ppm1 0.774 ppm2 4.545 CV 1
ASSI { 543}
(( segid "SAP" and resid 168 and name HD2 ))
( segid "SAP" and resid 167 and name HD2%)
3.200 1.200 1.200 peak 543 spectrum 1 weight 0.10000E+01 volume 0.22305E-02 ppm1 0.776 ppm2 3.664 CV 1
ASSI { 544}
(( segid "SAP" and resid 168 and name HB1 ))
(( segid "SAP" and resid 168 and name HA ))
2.200 0.600 0.600 peak 544 spectrum 1 weight 0.10000E+01 volume 0.85958E-02 ppm1 4.504 ppm2 2.167 CV 1
ASSI { 545}
(( segid "SAP" and resid 168 and name HB2 ))
(( segid "SAP" and resid 168 and name HA ))
2.600 0.900 0.900 peak 545 spectrum 1 weight 0.10000E+01 volume 0.58797E-02 ppm1 4.502 ppm2 1.940 CV 1
ASSI { 546}
(( segid "SAP" and resid 169 and name HB ))
(( segid "SAP" and resid 169 and name HA ))
2.400 0.700 0.700 peak 546 spectrum 1 weight 0.10000E+01 volume 0.64869E-02 ppm1 4.491 ppm2 4.160 CV 1
ASSI { 547}
(( segid "SAP" and resid 162 and name HE2 ))
(( segid "SAP" and resid 169 and name HA ))
4.600 2.600 1.400 peak 547 spectrum 1 weight 0.10000E+01 volume 0.46974E-03 ppm1 4.491 ppm2 2.928 CV 1
OR { 547}
(( segid "SAP" and resid 162 and name HE1 ))
(( segid "SAP" and resid 169 and name HA ))
ASSI { 548}
(( segid "SAP" and resid 170 and name HG2 ))
(( segid "SAP" and resid 169 and name HA ))
4.400 2.400 1.600 peak 548 spectrum 1 weight 0.10000E+01 volume 0.34192E-03 ppm1 4.486 ppm2 1.603 CV 1
OR { 548}
(( segid "SAP" and resid 170 and name HG1 ))
(( segid "SAP" and resid 169 and name HA ))
ASSI { 549}
( segid "SAP" and resid 173 and name HD1%)
(( segid "SAP" and resid 169 and name HA ))
3.200 1.200 1.200 peak 549 spectrum 1 weight 0.10000E+01 volume 0.24350E-02 ppm1 4.489 ppm2 0.860 CV 1
ASSI { 550}
( segid "SAP" and resid 173 and name HD2%)
(( segid "SAP" and resid 169 and name HA ))
4.600 2.600 1.400 peak 550 spectrum 1 weight 0.10000E+01 volume 0.27737E-03 ppm1 4.488 ppm2 0.736 CV 1
ASSI { 552}
(( segid "SAP" and resid 162 and name HE2 ))
(( segid "SAP" and resid 169 and name HB ))
4.300 2.300 1.700 peak 552 spectrum 1 weight 0.10000E+01 volume 0.48252E-03 ppm1 4.149 ppm2 2.931 CV 1
OR { 552}
(( segid "SAP" and resid 162 and name HE1 ))
(( segid "SAP" and resid 169 and name HB ))
ASSI { 554}
(( segid "SAP" and resid 173 and name HG ))
(( segid "SAP" and resid 169 and name HB ))
4.200 2.200 1.800 peak 554 spectrum 1 weight 0.10000E+01 volume 0.45376E-03 ppm1 4.157 ppm2 1.832 CV 1
ASSI { 556}
( segid "SAP" and resid 169 and name HG2%)
(( segid "SAP" and resid 169 and name HB ))
2.200 0.600 0.600 peak 556 spectrum 1 weight 0.10000E+01 volume 0.11344E-01 ppm1 4.159 ppm2 1.069 CV 1
ASSI { 557}
( segid "SAP" and resid 173 and name HD1%)
(( segid "SAP" and resid 169 and name HB ))
2.500 0.800 0.800 peak 557 spectrum 1 weight 0.10000E+01 volume 0.52087E-02 ppm1 4.159 ppm2 0.851 CV 1
ASSI { 562}
(( segid "SAP" and resid 173 and name HB1 ))
(( segid "SAP" and resid 173 and name HA ))
2.300 0.600 0.600 peak 562 spectrum 1 weight 0.10000E+01 volume 0.80204E-02 ppm1 4.304 ppm2 1.782 CV 1
OR { 562}
(( segid "SAP" and resid 173 and name HG ))
(( segid "SAP" and resid 173 and name HA ))
ASSI { 563}
(( segid "SAP" and resid 173 and name HB2 ))
(( segid "SAP" and resid 173 and name HA ))
2.900 1.000 1.000 peak 563 spectrum 1 weight 0.10000E+01 volume 0.33872E-02 ppm1 4.302 ppm2 1.460 CV 1
ASSI { 565}
(( segid "SAP" and resid 173 and name HB2 ))
(( segid "SAP" and resid 173 and name HG ))
3.000 1.100 1.100 peak 565 spectrum 1 weight 0.10000E+01 volume 0.12782E-02 ppm1 1.818 ppm2 1.492 CV 1
ASSI { 569}
(( segid "SAP" and resid 178 and name HA ))
( segid "SAP" and resid 173 and name HD1%)
3.300 1.400 1.400 peak 569 spectrum 1 weight 0.10000E+01 volume 0.19621E-02 ppm1 0.848 ppm2 4.056 CV 1
ASSI { 570}
(( segid "SAP" and resid 162 and name HE2 ))
( segid "SAP" and resid 173 and name HD1%)
3.500 1.500 1.500 peak 570 spectrum 1 weight 0.10000E+01 volume 0.85323E-03 ppm1 0.847 ppm2 2.932 CV 1
OR { 570}
(( segid "SAP" and resid 162 and name HE1 ))
( segid "SAP" and resid 173 and name HD1%)
ASSI { 571}
(( segid "SAP" and resid 177 and name HB1 ))
( segid "SAP" and resid 173 and name HD1%)
3.600 1.600 1.600 peak 571 spectrum 1 weight 0.10000E+01 volume 0.11984E-02 ppm1 0.847 ppm2 2.264 CV 1
ASSI { 572}
(( segid "SAP" and resid 173 and name HG ))
( segid "SAP" and resid 173 and name HD1%)
2.000 0.500 0.500 peak 572 spectrum 1 weight 0.10000E+01 volume 0.19653E-01 ppm1 0.847 ppm2 1.789 CV 1
OR { 572}
(( segid "SAP" and resid 173 and name HB1 ))
( segid "SAP" and resid 173 and name HD1%)
ASSI { 575}
(( segid "SAP" and resid 177 and name HG1 ))
( segid "SAP" and resid 173 and name HD2%)
3.200 1.300 1.300 peak 575 spectrum 1 weight 0.10000E+01 volume 0.15306E-02 ppm1 0.721 ppm2 2.656 CV 1
ASSI { 576}
(( segid "SAP" and resid 177 and name HG2 ))
( segid "SAP" and resid 173 and name HD2%)
3.600 1.600 1.600 peak 576 spectrum 1 weight 0.10000E+01 volume 0.20515E-02 ppm1 0.725 ppm2 2.419 CV 1
ASSI { 577}
(( segid "SAP" and resid 177 and name HB1 ))
( segid "SAP" and resid 173 and name HD2%)
2.600 0.800 0.800 peak 577 spectrum 1 weight 0.10000E+01 volume 0.37707E-02 ppm1 0.725 ppm2 2.279 CV 1
ASSI { 578}
(( segid "SAP" and resid 174 and name HB2 ))
(( segid "SAP" and resid 174 and name HA ))
2.600 0.800 0.800 peak 578 spectrum 1 weight 0.10000E+01 volume 0.57519E-02 ppm1 4.761 ppm2 2.911 CV 1
ASSI { 580}
(( segid "SAP" and resid 174 and name HB2 ))
(( segid "SAP" and resid 174 and name HB1 ))
2.100 0.500 0.500 peak 580 spectrum 1 weight 0.10000E+01 volume 0.80525E-02 ppm1 3.272 ppm2 2.911 CV 1
ASSI { 582}
( segid "SAP" and resid 178 and name HD1%)
(( segid "SAP" and resid 175 and name HA ))
2.800 1.000 1.000 peak 582 spectrum 1 weight 0.10000E+01 volume 0.20452E-02 ppm1 3.740 ppm2 0.813 CV 1
ASSI { 583}
( segid "SAP" and resid 179 and name HG1%)
(( segid "SAP" and resid 176 and name HA ))
3.600 1.600 1.600 peak 583 spectrum 1 weight 0.10000E+01 volume 0.13965E-02 ppm1 4.025 ppm2 0.585 CV 1
ASSI { 585}
(( segid "SAP" and resid 179 and name HB ))
(( segid "SAP" and resid 176 and name HA ))
2.600 0.900 0.900 peak 585 spectrum 1 weight 0.10000E+01 volume 0.35470E-02 ppm1 4.025 ppm2 1.927 CV 1
ASSI { 586}
( segid "SAP" and resid 179 and name HG1%)
( segid "SAP" and resid 176 and name HB% )
4.400 2.400 1.600 peak 586 spectrum 1 weight 0.10000E+01 volume 0.41541E-03 ppm1 1.509 ppm2 0.585 CV 1
ASSI { 587}
( segid "SAP" and resid 179 and name HG2%)
( segid "SAP" and resid 176 and name HB% )
4.200 2.200 1.800 peak 587 spectrum 1 weight 0.10000E+01 volume 0.61034E-03 ppm1 1.512 ppm2 0.494 CV 1
ASSI { 588}
( segid "SAP" and resid 151 and name HD% )
( segid "SAP" and resid 176 and name HB% )
3.900 1.900 1.900 peak 588 spectrum 1 weight 0.10000E+01 volume 0.62952E-03 ppm1 1.509 ppm2 -0.885 CV 1
ASSI { 589}
( segid "SAP" and resid 151 and name HD% )
(( segid "SAP" and resid 176 and name HA ))
4.600 2.600 1.400 peak 589 spectrum 1 weight 0.10000E+01 volume 0.16840E-03 ppm1 4.017 ppm2 -0.888 CV 1
ASSI { 590}
( segid "SAP" and resid 151 and name HE% )
(( segid "SAP" and resid 176 and name HA ))
3.000 1.200 1.200 peak 590 spectrum 1 weight 0.10000E+01 volume 0.19493E-02 ppm1 4.026 ppm2 -1.305 CV 1
ASSI { 591}
( segid "SAP" and resid 151 and name HE% )
( segid "SAP" and resid 176 and name HB% )
3.000 1.100 1.100 peak 591 spectrum 1 weight 0.10000E+01 volume 0.23519E-02 ppm1 1.511 ppm2 -1.303 CV 1
ASSI { 592}
(( segid "SAP" and resid 177 and name HB1 ))
(( segid "SAP" and resid 177 and name HA ))
2.600 0.800 0.800 peak 592 spectrum 1 weight 0.10000E+01 volume 0.35470E-02 ppm1 4.083 ppm2 2.275 CV 1
ASSI { 593}
(( segid "SAP" and resid 180 and name HB1 ))
(( segid "SAP" and resid 177 and name HA ))
2.600 0.900 0.900 peak 593 spectrum 1 weight 0.10000E+01 volume 0.41222E-02 ppm1 4.081 ppm2 2.143 CV 1
OR { 593}
(( segid "SAP" and resid 180 and name HB2 ))
(( segid "SAP" and resid 177 and name HA ))
ASSI { 596}
(( segid "SAP" and resid 177 and name HG1 ))
(( segid "SAP" and resid 177 and name HG2 ))
1.800 0.400 0.400 peak 596 spectrum 1 weight 0.10000E+01 volume 0.16137E-01 ppm1 2.409 ppm2 2.649 CV 1
ASSI { 598}
(( segid "SAP" and resid 177 and name HB2 ))
(( segid "SAP" and resid 177 and name HG1 ))
2.400 0.700 0.700 peak 598 spectrum 1 weight 0.10000E+01 volume 0.50169E-02 ppm1 2.645 ppm2 1.973 CV 1
ASSI { 599}
(( segid "SAP" and resid 177 and name HB2 ))
(( segid "SAP" and resid 177 and name HG2 ))
2.700 0.900 0.900 peak 599 spectrum 1 weight 0.10000E+01 volume 0.31189E-02 ppm1 2.404 ppm2 1.964 CV 1
ASSI { 604}
(( segid "SAP" and resid 178 and name HB1 ))
(( segid "SAP" and resid 178 and name HA ))
2.300 0.700 0.700 peak 604 spectrum 1 weight 0.10000E+01 volume 0.50808E-02 ppm1 4.047 ppm2 1.769 CV 1
ASSI { 605}
(( segid "SAP" and resid 178 and name HG ))
(( segid "SAP" and resid 178 and name HA ))
2.700 0.900 0.900 peak 605 spectrum 1 weight 0.10000E+01 volume 0.39305E-02 ppm1 4.046 ppm2 1.566 CV 1
OR { 605}
(( segid "SAP" and resid 178 and name HB2 ))
(( segid "SAP" and resid 178 and name HA ))
ASSI { 606}
(( segid "SAP" and resid 181 and name HG12))
(( segid "SAP" and resid 178 and name HA ))
4.400 2.400 1.600 peak 606 spectrum 1 weight 0.10000E+01 volume 0.72858E-03 ppm1 4.040 ppm2 1.297 CV 1
ASSI { 608}
(( segid "SAP" and resid 175 and name HA ))
(( segid "SAP" and resid 178 and name HB2 ))
3.100 1.200 1.200 peak 608 spectrum 1 weight 0.10000E+01 volume 0.88193E-03 ppm1 1.573 ppm2 3.738 CV 1
ASSI { 611}
(( segid "SAP" and resid 178 and name HA ))
( segid "SAP" and resid 178 and name HD1%)
3.100 1.200 1.200 peak 611 spectrum 1 weight 0.10000E+01 volume 0.51767E-02 ppm1 0.816 ppm2 4.046 CV 1
ASSI { 615}
(( segid "SAP" and resid 158 and name HB1 ))
( segid "SAP" and resid 178 and name HD1%)
3.300 1.300 1.300 peak 615 spectrum 1 weight 0.10000E+01 volume 0.24765E-02 ppm1 0.816 ppm2 2.104 CV 1
ASSI { 616}
(( segid "SAP" and resid 159 and name HD1 ))
( segid "SAP" and resid 178 and name HD2%)
3.700 1.700 1.700 peak 616 spectrum 1 weight 0.10000E+01 volume 0.97460E-03 ppm1 0.792 ppm2 3.178 CV 1
OR { 616}
(( segid "SAP" and resid 159 and name HD2 ))
( segid "SAP" and resid 178 and name HD2%)
ASSI { 617}
(( segid "SAP" and resid 162 and name HE2 ))
( segid "SAP" and resid 178 and name HD2%)
3.200 1.200 1.200 peak 617 spectrum 1 weight 0.10000E+01 volume 0.16105E-02 ppm1 0.793 ppm2 2.921 CV 1
OR { 617}
(( segid "SAP" and resid 162 and name HE1 ))
( segid "SAP" and resid 178 and name HD2%)
ASSI { 618}
(( segid "SAP" and resid 182 and name HB ))
(( segid "SAP" and resid 179 and name HA ))
2.600 0.900 0.900 peak 618 spectrum 1 weight 0.10000E+01 volume 0.32594E-02 ppm1 3.158 ppm2 1.711 CV 1
ASSI { 619}
( segid "SAP" and resid 182 and name HG1%)
(( segid "SAP" and resid 179 and name HA ))
3.400 1.400 1.400 peak 619 spectrum 1 weight 0.10000E+01 volume 0.21314E-02 ppm1 3.154 ppm2 0.767 CV 1
ASSI { 620}
( segid "SAP" and resid 158 and name HD2%)
(( segid "SAP" and resid 179 and name HA ))
2.300 0.700 0.700 peak 620 spectrum 1 weight 0.10000E+01 volume 0.73177E-02 ppm1 3.157 ppm2 0.621 CV 1
ASSI { 622}
( segid "SAP" and resid 179 and name HG2%)
(( segid "SAP" and resid 179 and name HA ))
2.500 0.800 0.800 peak 622 spectrum 1 weight 0.10000E+01 volume 0.50808E-02 ppm1 3.158 ppm2 0.472 CV 1
ASSI { 624}
(( segid "SAP" and resid 179 and name HA ))
( segid "SAP" and resid 179 and name HG1%)
2.500 0.800 0.800 peak 624 spectrum 1 weight 0.10000E+01 volume 0.59436E-02 ppm1 0.585 ppm2 3.170 CV 1
ASSI { 625}
(( segid "SAP" and resid 175 and name HE1 ))
( segid "SAP" and resid 179 and name HG1%)
3.700 1.700 1.700 peak 625 spectrum 1 weight 0.10000E+01 volume 0.13294E-02 ppm1 0.585 ppm2 2.705 CV 1
ASSI { 627}
(( segid "SAP" and resid 179 and name HB ))
( segid "SAP" and resid 179 and name HG1%)
2.200 0.600 0.600 peak 627 spectrum 1 weight 0.10000E+01 volume 0.10066E-01 ppm1 0.587 ppm2 1.925 CV 1
ASSI { 628}
(( segid "SAP" and resid 176 and name HA ))
( segid "SAP" and resid 179 and name HG2%)
2.900 1.100 1.100 peak 628 spectrum 1 weight 0.10000E+01 volume 0.23359E-02 ppm1 0.481 ppm2 4.017 CV 1
ASSI { 631}
(( segid "SAP" and resid 151 and name HB2 ))
( segid "SAP" and resid 179 and name HG2%)
3.500 1.500 1.500 peak 631 spectrum 1 weight 0.10000E+01 volume 0.10481E-02 ppm1 0.478 ppm2 3.036 CV 1
ASSI { 634}
(( segid "SAP" and resid 179 and name HB ))
( segid "SAP" and resid 179 and name HG2%)
2.200 0.600 0.600 peak 634 spectrum 1 weight 0.10000E+01 volume 0.90435E-02 ppm1 0.481 ppm2 1.923 CV 1
ASSI { 637}
(( segid "SAP" and resid 197 and name HB1 ))
( segid "SAP" and resid 197 and name HD1%)
2.500 0.800 0.800 peak 637 spectrum 1 weight 0.10000E+01 volume 0.56880E-02 ppm1 0.594 ppm2 1.713 CV 1
ASSI { 638}
(( segid "SAP" and resid 150 and name HG ))
( segid "SAP" and resid 179 and name HG2%)
3.800 3.800 2.200 peak 638 spectrum 1 weight 0.10000E+01 volume 0.13996E-02 ppm1 0.484 ppm2 1.232 CV 1
ASSI { 639}
(( segid "SAP" and resid 150 and name HB2 ))
( segid "SAP" and resid 179 and name HG2%)
3.100 1.200 1.200 peak 639 spectrum 1 weight 0.10000E+01 volume 0.28600E-02 ppm1 0.482 ppm2 1.103 CV 1
ASSI { 640}
( segid "SAP" and resid 151 and name HD% )
( segid "SAP" and resid 179 and name HG2%)
3.200 1.300 1.300 peak 640 spectrum 1 weight 0.10000E+01 volume 0.10258E-02 ppm1 0.479 ppm2 -0.888 CV 1
ASSI { 641}
( segid "SAP" and resid 151 and name HE% )
( segid "SAP" and resid 179 and name HG2%)
3.900 1.900 1.900 peak 641 spectrum 1 weight 0.10000E+01 volume 0.82767E-03 ppm1 0.479 ppm2 -1.303 CV 1
ASSI { 642}
( segid "SAP" and resid 151 and name HE% )
( segid "SAP" and resid 179 and name HG1%)
4.000 2.000 2.000 peak 642 spectrum 1 weight 0.10000E+01 volume 0.83724E-03 ppm1 0.581 ppm2 -1.300 CV 1
ASSI { 643}
( segid "SAP" and resid 151 and name HD% )
( segid "SAP" and resid 179 and name HG1%)
3.100 1.200 1.200 peak 643 spectrum 1 weight 0.10000E+01 volume 0.20387E-02 ppm1 0.587 ppm2 -0.886 CV 1
ASSI { 645}
(( segid "SAP" and resid 184 and name HB1 ))
(( segid "SAP" and resid 181 and name HA ))
3.100 1.200 1.200 peak 645 spectrum 1 weight 0.10000E+01 volume 0.12878E-02 ppm1 3.846 ppm2 3.092 CV 1
ASSI { 647}
(( segid "SAP" and resid 181 and name HB ))
(( segid "SAP" and resid 181 and name HA ))
3.000 1.100 1.100 peak 647 spectrum 1 weight 0.10000E+01 volume 0.18151E-02 ppm1 3.836 ppm2 1.933 CV 1
ASSI { 650}
(( segid "SAP" and resid 181 and name HG12))
(( segid "SAP" and resid 181 and name HB ))
3.100 1.200 1.200 peak 650 spectrum 1 weight 0.10000E+01 volume 0.23934E-02 ppm1 1.929 ppm2 1.289 CV 1
ASSI { 651}
( segid "SAP" and resid 181 and name HG2%)
(( segid "SAP" and resid 181 and name HB ))
2.300 0.600 0.600 peak 651 spectrum 1 weight 0.10000E+01 volume 0.79890E-02 ppm1 1.926 ppm2 0.966 CV 1
ASSI { 657}
(( segid "SAP" and resid 162 and name HE1 ))
( segid "SAP" and resid 181 and name HG2%)
3.500 1.500 1.500 peak 657 spectrum 1 weight 0.10000E+01 volume 0.74136E-03 ppm1 0.955 ppm2 2.940 CV 1
OR { 657}
(( segid "SAP" and resid 162 and name HE2 ))
( segid "SAP" and resid 181 and name HG2%)
ASSI { 659}
(( segid "SAP" and resid 181 and name HG11))
( segid "SAP" and resid 181 and name HG2%)
3.200 1.300 1.300 peak 659 spectrum 1 weight 0.10000E+01 volume 0.34831E-02 ppm1 0.954 ppm2 1.734 CV 1
ASSI { 661}
(( segid "SAP" and resid 169 and name HA ))
( segid "SAP" and resid 181 and name HD1%)
3.400 1.400 1.400 peak 661 spectrum 1 weight 0.10000E+01 volume 0.13197E-02 ppm1 0.873 ppm2 4.495 CV 1
ASSI { 662}
(( segid "SAP" and resid 169 and name HB ))
( segid "SAP" and resid 181 and name HD1%)
3.100 1.200 1.200 peak 662 spectrum 1 weight 0.10000E+01 volume 0.15882E-02 ppm1 0.875 ppm2 4.156 CV 1
ASSI { 663}
(( segid "SAP" and resid 178 and name HA ))
( segid "SAP" and resid 181 and name HD1%)
2.700 0.900 0.900 peak 663 spectrum 1 weight 0.10000E+01 volume 0.31572E-02 ppm1 0.873 ppm2 4.042 CV 1
ASSI { 664}
(( segid "SAP" and resid 181 and name HA ))
( segid "SAP" and resid 181 and name HD1%)
3.600 1.700 1.700 peak 664 spectrum 1 weight 0.10000E+01 volume 0.23711E-02 ppm1 0.876 ppm2 3.851 CV 1
ASSI { 665}
(( segid "SAP" and resid 162 and name HE2 ))
( segid "SAP" and resid 181 and name HD1%)
3.200 1.300 1.300 peak 665 spectrum 1 weight 0.10000E+01 volume 0.11376E-02 ppm1 0.875 ppm2 2.945 CV 1
OR { 665}
(( segid "SAP" and resid 162 and name HE1 ))
( segid "SAP" and resid 181 and name HD1%)
ASSI { 668}
(( segid "SAP" and resid 181 and name HB ))
( segid "SAP" and resid 181 and name HD1%)
2.300 0.600 0.600 peak 668 spectrum 1 weight 0.10000E+01 volume 0.94904E-02 ppm1 0.875 ppm2 1.938 CV 1
ASSI { 669}
(( segid "SAP" and resid 181 and name HG11))
( segid "SAP" and resid 181 and name HD1%)
2.000 0.500 0.500 peak 669 spectrum 1 weight 0.10000E+01 volume 0.14923E-01 ppm1 0.874 ppm2 1.741 CV 1
ASSI { 670}
(( segid "SAP" and resid 181 and name HG12))
( segid "SAP" and resid 181 and name HD1%)
2.100 0.600 0.600 peak 670 spectrum 1 weight 0.10000E+01 volume 0.12143E-01 ppm1 0.875 ppm2 1.303 CV 1
ASSI { 672}
(( segid "SAP" and resid 182 and name HB ))
(( segid "SAP" and resid 182 and name HA ))
3.200 1.300 1.300 peak 672 spectrum 1 weight 0.10000E+01 volume 0.12974E-02 ppm1 3.315 ppm2 1.705 CV 1
ASSI { 673}
( segid "SAP" and resid 167 and name HD1%)
(( segid "SAP" and resid 182 and name HA ))
2.900 1.100 1.100 peak 673 spectrum 1 weight 0.10000E+01 volume 0.25628E-02 ppm1 3.315 ppm2 0.869 CV 1
ASSI { 674}
( segid "SAP" and resid 181 and name HG2%)
(( segid "SAP" and resid 182 and name HA ))
3.300 1.400 1.400 peak 674 spectrum 1 weight 0.10000E+01 volume 0.98103E-03 ppm1 3.307 ppm2 0.961 CV 1
ASSI { 676}
( segid "SAP" and resid 161 and name HD% )
( segid "SAP" and resid 182 and name HG1%)
2.500 0.800 0.800 peak 676 spectrum 1 weight 0.10000E+01 volume 0.59436E-02 ppm1 0.758 ppm2 -1.279 CV 1
ASSI { 677}
(( segid "SAP" and resid 182 and name HA ))
( segid "SAP" and resid 182 and name HG2%)
2.600 0.900 0.900 peak 677 spectrum 1 weight 0.10000E+01 volume 0.33872E-02 ppm1 -0.194 ppm2 3.328 CV 1
ASSI { 678}
(( segid "SAP" and resid 158 and name HA ))
( segid "SAP" and resid 182 and name HG2%)
3.300 1.400 1.400 peak 678 spectrum 1 weight 0.10000E+01 volume 0.10386E-02 ppm1 -0.194 ppm2 3.914 CV 1
ASSI { 680}
(( segid "SAP" and resid 178 and name HA ))
( segid "SAP" and resid 182 and name HG2%)
3.700 1.700 1.700 peak 680 spectrum 1 weight 0.10000E+01 volume 0.55922E-03 ppm1 -0.194 ppm2 4.047 CV 1
ASSI { 681}
(( segid "SAP" and resid 182 and name HB ))
( segid "SAP" and resid 182 and name HG2%)
2.300 0.600 0.600 peak 681 spectrum 1 weight 0.10000E+01 volume 0.74778E-02 ppm1 -0.194 ppm2 1.711 CV 1
ASSI { 683}
( segid "SAP" and resid 182 and name HG1%)
( segid "SAP" and resid 182 and name HG2%)
2.200 0.600 0.600 peak 683 spectrum 1 weight 0.10000E+01 volume 0.10833E-01 ppm1 -0.193 ppm2 0.758 CV 1
ASSI { 684}
( segid "SAP" and resid 158 and name HD2%)
( segid "SAP" and resid 182 and name HG2%)
2.300 0.700 0.700 peak 684 spectrum 1 weight 0.10000E+01 volume 0.66466E-02 ppm1 -0.193 ppm2 0.631 CV 1
ASSI { 690}
(( segid "SAP" and resid 187 and name HB2 ))
(( segid "SAP" and resid 184 and name HA ))
4.600 2.600 1.400 peak 690 spectrum 1 weight 0.10000E+01 volume 0.17384E-03 ppm1 4.125 ppm2 1.887 CV 1
OR { 690}
(( segid "SAP" and resid 187 and name HB1 ))
(( segid "SAP" and resid 184 and name HA ))
ASSI { 691}
(( segid "SAP" and resid 187 and name HG1 ))
(( segid "SAP" and resid 184 and name HA ))
3.200 1.300 1.300 peak 691 spectrum 1 weight 0.10000E+01 volume 0.14955E-02 ppm1 4.127 ppm2 1.704 CV 1
OR { 691}
(( segid "SAP" and resid 187 and name HD2 ))
(( segid "SAP" and resid 184 and name HA ))
OR { 691}
(( segid "SAP" and resid 187 and name HD1 ))
(( segid "SAP" and resid 184 and name HA ))
OR { 691}
(( segid "SAP" and resid 187 and name HG2 ))
(( segid "SAP" and resid 184 and name HA ))
ASSI { 693}
(( segid "SAP" and resid 181 and name HA ))
(( segid "SAP" and resid 184 and name HB2 ))
3.000 1.100 1.100 peak 693 spectrum 1 weight 0.10000E+01 volume 0.20259E-02 ppm1 2.982 ppm2 3.851 CV 1
ASSI { 694}
(( segid "SAP" and resid 185 and name HB2 ))
(( segid "SAP" and resid 185 and name HA ))
2.600 0.800 0.800 peak 694 spectrum 1 weight 0.10000E+01 volume 0.39944E-02 ppm1 4.041 ppm2 3.197 CV 1
ASSI { 695}
(( segid "SAP" and resid 186 and name HB2 ))
(( segid "SAP" and resid 186 and name HA ))
3.000 1.100 1.100 peak 695 spectrum 1 weight 0.10000E+01 volume 0.12686E-02 ppm1 4.039 ppm2 2.986 CV 1
ASSI { 696}
( segid "SAP" and resid 189 and name HD1%)
(( segid "SAP" and resid 186 and name HA ))
2.500 0.800 0.800 peak 696 spectrum 1 weight 0.10000E+01 volume 0.42180E-02 ppm1 4.046 ppm2 0.692 CV 1
ASSI { 698}
(( segid "SAP" and resid 185 and name HA ))
(( segid "SAP" and resid 185 and name HB1 ))
4.000 2.000 2.000 peak 698 spectrum 1 weight 0.10000E+01 volume 0.51767E-03 ppm1 3.333 ppm2 4.043 CV 1
ASSI { 700}
(( segid "SAP" and resid 189 and name HG11))
(( segid "SAP" and resid 186 and name HA ))
3.300 1.300 1.300 peak 700 spectrum 1 weight 0.10000E+01 volume 0.61034E-03 ppm1 4.051 ppm2 1.503 CV 1
ASSI { 701}
(( segid "SAP" and resid 186 and name HA ))
(( segid "SAP" and resid 186 and name HB1 ))
3.300 1.400 1.400 peak 701 spectrum 1 weight 0.10000E+01 volume 0.11472E-02 ppm1 3.358 ppm2 4.055 CV 1
ASSI { 703}
( segid "SAP" and resid 186 and name HD% )
(( segid "SAP" and resid 186 and name HB1 ))
3.200 1.300 1.300 peak 703 spectrum 1 weight 0.10000E+01 volume 0.84359E-03 ppm1 3.355 ppm2 -0.768 CV 1
ASSI { 704}
(( segid "SAP" and resid 187 and name HB1 ))
(( segid "SAP" and resid 187 and name HA ))
2.500 0.800 0.800 peak 704 spectrum 1 weight 0.10000E+01 volume 0.59117E-02 ppm1 3.878 ppm2 1.881 CV 1
OR { 704}
(( segid "SAP" and resid 187 and name HB2 ))
(( segid "SAP" and resid 187 and name HA ))
ASSI { 705}
(( segid "SAP" and resid 187 and name HG2 ))
(( segid "SAP" and resid 187 and name HA ))
2.500 0.800 0.800 peak 705 spectrum 1 weight 0.10000E+01 volume 0.54963E-02 ppm1 3.880 ppm2 1.693 CV 1
OR { 705}
(( segid "SAP" and resid 187 and name HG1 ))
(( segid "SAP" and resid 187 and name HA ))
ASSI { 706}
( segid "SAP" and resid 186 and name HD% )
(( segid "SAP" and resid 187 and name HA ))
3.800 1.800 1.800 peak 706 spectrum 1 weight 0.10000E+01 volume 0.59756E-03 ppm1 3.876 ppm2 -0.775 CV 1
ASSI { 707}
(( segid "SAP" and resid 187 and name HE2 ))
(( segid "SAP" and resid 187 and name HG2 ))
3.100 1.200 1.200 peak 707 spectrum 1 weight 0.10000E+01 volume 0.19716E-02 ppm1 1.682 ppm2 3.020 CV 1
OR { 707}
(( segid "SAP" and resid 187 and name HE2 ))
(( segid "SAP" and resid 187 and name HG1 ))
OR { 707}
(( segid "SAP" and resid 187 and name HE1 ))
(( segid "SAP" and resid 187 and name HG2 ))
OR { 707}
(( segid "SAP" and resid 187 and name HE1 ))
(( segid "SAP" and resid 187 and name HG1 ))
ASSI { 708}
(( segid "SAP" and resid 187 and name HB1 ))
(( segid "SAP" and resid 187 and name HG2 ))
2.100 0.500 0.500 peak 708 spectrum 1 weight 0.10000E+01 volume 0.16776E-01 ppm1 1.684 ppm2 1.898 CV 1
OR { 708}
(( segid "SAP" and resid 187 and name HB2 ))
(( segid "SAP" and resid 187 and name HG1 ))
OR { 708}
(( segid "SAP" and resid 187 and name HB2 ))
(( segid "SAP" and resid 187 and name HG2 ))
OR { 708}
(( segid "SAP" and resid 187 and name HB1 ))
(( segid "SAP" and resid 187 and name HG1 ))
ASSI { 710}
(( segid "SAP" and resid 187 and name HE1 ))
(( segid "SAP" and resid 187 and name HD1 ))
2.400 0.700 0.700 peak 710 spectrum 1 weight 0.10000E+01 volume 0.65189E-02 ppm1 1.741 ppm2 3.019 CV 1
OR { 710}
(( segid "SAP" and resid 187 and name HE2 ))
(( segid "SAP" and resid 187 and name HD2 ))
OR { 710}
(( segid "SAP" and resid 187 and name HE1 ))
(( segid "SAP" and resid 187 and name HD2 ))
OR { 710}
(( segid "SAP" and resid 187 and name HE2 ))
(( segid "SAP" and resid 187 and name HD1 ))
ASSI { 711}
(( segid "SAP" and resid 188 and name HB1 ))
(( segid "SAP" and resid 188 and name HA ))
2.400 0.700 0.700 peak 711 spectrum 1 weight 0.10000E+01 volume 0.73177E-02 ppm1 4.359 ppm2 3.861 CV 1
ASSI { 712}
(( segid "SAP" and resid 188 and name HB2 ))
(( segid "SAP" and resid 188 and name HA ))
2.600 0.800 0.800 peak 712 spectrum 1 weight 0.10000E+01 volume 0.56880E-02 ppm1 4.360 ppm2 3.733 CV 1
ASSI { 713}
( segid "SAP" and resid 189 and name HG2%)
(( segid "SAP" and resid 189 and name HB ))
2.200 0.600 0.600 peak 713 spectrum 1 weight 0.10000E+01 volume 0.89157E-02 ppm1 1.227 ppm2 0.704 CV 1
OR { 713}
( segid "SAP" and resid 189 and name HD1%)
(( segid "SAP" and resid 189 and name HB ))
ASSI { 717}
( segid "SAP" and resid 189 and name HD1%)
(( segid "SAP" and resid 189 and name HG11))
2.700 0.900 0.900 peak 717 spectrum 1 weight 0.10000E+01 volume 0.32274E-02 ppm1 1.506 ppm2 0.686 CV 1
OR { 717}
( segid "SAP" and resid 189 and name HG2%)
(( segid "SAP" and resid 189 and name HG11))
ASSI { 718}
(( segid "SAP" and resid 213 and name HG ))
( segid "SAP" and resid 213 and name HD2%)
2.600 0.800 0.800 peak 718 spectrum 1 weight 0.10000E+01 volume 0.48572E-02 ppm1 0.817 ppm2 1.569 CV 1
OR { 718}
(( segid "SAP" and resid 213 and name HB2 ))
( segid "SAP" and resid 213 and name HD2%)
OR { 718}
(( segid "SAP" and resid 213 and name HB1 ))
( segid "SAP" and resid 213 and name HD2%)
ASSI { 719}
(( segid "SAP" and resid 191 and name HA ))
( segid "SAP" and resid 189 and name HG2%)
3.500 1.500 1.500 peak 719 spectrum 1 weight 0.10000E+01 volume 0.80847E-03 ppm1 0.716 ppm2 3.965 CV 1
ASSI { 721}
(( segid "SAP" and resid 189 and name HA ))
( segid "SAP" and resid 189 and name HG2%)
2.800 1.000 1.000 peak 721 spectrum 1 weight 0.10000E+01 volume 0.27450E-02 ppm1 0.716 ppm2 3.745 CV 1
ASSI { 722}
(( segid "SAP" and resid 191 and name HB ))
(( segid "SAP" and resid 191 and name HA ))
2.800 1.000 1.000 peak 722 spectrum 1 weight 0.10000E+01 volume 0.24254E-02 ppm1 3.972 ppm2 1.794 CV 1
ASSI { 725}
(( segid "SAP" and resid 189 and name HG11))
( segid "SAP" and resid 189 and name HG2%)
3.700 1.700 1.700 peak 725 spectrum 1 weight 0.10000E+01 volume 0.15977E-02 ppm1 0.716 ppm2 1.499 CV 1
ASSI { 727}
(( segid "SAP" and resid 189 and name HB ))
( segid "SAP" and resid 189 and name HG2%)
2.500 0.800 0.800 peak 727 spectrum 1 weight 0.10000E+01 volume 0.43139E-02 ppm1 0.717 ppm2 1.227 CV 1
ASSI { 728}
( segid "SAP" and resid 186 and name HE% )
( segid "SAP" and resid 189 and name HD1%)
3.200 1.300 1.300 peak 728 spectrum 1 weight 0.10000E+01 volume 0.12526E-02 ppm1 0.684 ppm2 -0.873 CV 1
ASSI { 729}
(( segid "SAP" and resid 189 and name HG12))
( segid "SAP" and resid 189 and name HD1%)
2.400 0.700 0.700 peak 729 spectrum 1 weight 0.10000E+01 volume 0.58477E-02 ppm1 0.682 ppm2 0.438 CV 1
ASSI { 730}
(( segid "SAP" and resid 189 and name HG12))
( segid "SAP" and resid 189 and name HG2%)
2.600 0.900 0.900 peak 730 spectrum 1 weight 0.10000E+01 volume 0.31348E-02 ppm1 0.717 ppm2 0.441 CV 1
ASSI { 732}
(( segid "SAP" and resid 189 and name HB ))
( segid "SAP" and resid 189 and name HD1%)
2.700 0.900 0.900 peak 732 spectrum 1 weight 0.10000E+01 volume 0.32274E-02 ppm1 0.683 ppm2 1.222 CV 1
ASSI { 734}
(( segid "SAP" and resid 217 and name HA ))
(( segid "SAP" and resid 217 and name HB2 ))
2.900 1.100 1.100 peak 734 spectrum 1 weight 0.10000E+01 volume 0.24797E-02 ppm1 3.922 ppm2 4.394 CV 1
OR { 734}
(( segid "SAP" and resid 217 and name HA ))
(( segid "SAP" and resid 217 and name HB1 ))
ASSI { 737}
(( segid "SAP" and resid 189 and name HG11))
( segid "SAP" and resid 189 and name HD1%)
2.400 0.700 0.700 peak 737 spectrum 1 weight 0.10000E+01 volume 0.53365E-02 ppm1 0.684 ppm2 1.507 CV 1
ASSI { 738}
(( segid "SAP" and resid 200 and name HB1 ))
(( segid "SAP" and resid 200 and name HA ))
3.300 1.400 1.400 peak 738 spectrum 1 weight 0.10000E+01 volume 0.15946E-02 ppm1 4.985 ppm2 3.638 CV 1
ASSI { 742}
(( segid "SAP" and resid 141 and name HG1 ))
(( segid "SAP" and resid 141 and name HB2 ))
2.100 0.600 0.600 peak 742 spectrum 1 weight 0.10000E+01 volume 0.17000E-01 ppm1 1.936 ppm2 2.314 CV 1
OR { 742}
(( segid "SAP" and resid 141 and name HG2 ))
(( segid "SAP" and resid 141 and name HB2 ))
ASSI { 743}
(( segid "SAP" and resid 141 and name HB1 ))
(( segid "SAP" and resid 141 and name HG2 ))
2.000 0.500 0.500 peak 743 spectrum 1 weight 0.10000E+01 volume 0.19972E-01 ppm1 2.316 ppm2 2.063 CV 1
OR { 743}
(( segid "SAP" and resid 141 and name HB1 ))
(( segid "SAP" and resid 141 and name HG1 ))
ASSI { 751}
( segid "SAP" and resid 186 and name HE% )
( segid "SAP" and resid 148 and name HG1%)
2.300 0.700 0.700 peak 751 spectrum 1 weight 0.10000E+01 volume 0.61354E-02 ppm1 0.971 ppm2 -0.877 CV 1
ASSI { 761}
( segid "SAP" and resid 186 and name HE% )
( segid "SAP" and resid 148 and name HG2%)
3.200 1.300 1.300 peak 761 spectrum 1 weight 0.10000E+01 volume 0.16457E-02 ppm1 0.665 ppm2 -0.882 CV 1
ASSI { 762}
(( segid "SAP" and resid 186 and name HZ ))
( segid "SAP" and resid 148 and name HG2%)
3.600 1.600 1.600 peak 762 spectrum 1 weight 0.10000E+01 volume 0.75414E-03 ppm1 0.667 ppm2 -0.519 CV 1
ASSI { 773}
( segid "SAP" and resid 186 and name HD% )
( segid "SAP" and resid 150 and name HD1%)
3.700 1.800 1.800 peak 773 spectrum 1 weight 0.10000E+01 volume 0.54324E-03 ppm1 0.441 ppm2 -0.772 CV 1
ASSI { 774}
( segid "SAP" and resid 186 and name HE% )
( segid "SAP" and resid 150 and name HD1%)
4.300 2.300 1.700 peak 774 spectrum 1 weight 0.10000E+01 volume 0.13708E-03 ppm1 0.439 ppm2 -0.868 CV 1
ASSI { 776}
( segid "SAP" and resid 186 and name HE% )
( segid "SAP" and resid 150 and name HD2%)
4.500 2.600 1.500 peak 776 spectrum 1 weight 0.10000E+01 volume 0.14220E-03 ppm1 0.193 ppm2 -0.864 CV 1
ASSI { 782}
( segid "SAP" and resid 151 and name HD% )
(( segid "SAP" and resid 151 and name HB1 ))
2.600 0.800 0.800 peak 782 spectrum 1 weight 0.10000E+01 volume 0.40583E-02 ppm1 3.195 ppm2 -0.887 CV 1
ASSI { 783}
( segid "SAP" and resid 151 and name HD% )
(( segid "SAP" and resid 151 and name HB2 ))
2.700 0.900 0.900 peak 783 spectrum 1 weight 0.10000E+01 volume 0.34831E-02 ppm1 3.036 ppm2 -0.887 CV 1
ASSI { 784}
(( segid "SAP" and resid 152 and name HB1 ))
(( segid "SAP" and resid 152 and name HA ))
2.400 0.700 0.700 peak 784 spectrum 1 weight 0.10000E+01 volume 0.59436E-02 ppm1 4.079 ppm2 2.112 CV 1
ASSI { 790}
( segid "SAP" and resid 153 and name HD1%)
( segid "SAP" and resid 157 and name HG2%)
2.400 0.700 0.700 peak 790 spectrum 1 weight 0.10000E+01 volume 0.64869E-02 ppm1 1.443 ppm2 0.891 CV 1
ASSI { 792}
( segid "SAP" and resid 153 and name HD2%)
( segid "SAP" and resid 157 and name HG2%)
2.200 0.600 0.600 peak 792 spectrum 1 weight 0.10000E+01 volume 0.85002E-02 ppm1 1.444 ppm2 0.779 CV 1
ASSI { 793}
( segid "SAP" and resid 158 and name HD2%)
(( segid "SAP" and resid 158 and name HA ))
2.400 0.700 0.700 peak 793 spectrum 1 weight 0.10000E+01 volume 0.62632E-02 ppm1 3.925 ppm2 0.649 CV 1
ASSI { 794}
(( segid "SAP" and resid 160 and name HB1 ))
(( segid "SAP" and resid 160 and name HD1 ))
3.400 1.500 1.500 peak 794 spectrum 1 weight 0.10000E+01 volume 0.14827E-02 ppm1 3.491 ppm2 2.234 CV 1
ASSI { 795}
(( segid "SAP" and resid 160 and name HB2 ))
(( segid "SAP" and resid 160 and name HD1 ))
3.400 1.500 1.500 peak 795 spectrum 1 weight 0.10000E+01 volume 0.14923E-02 ppm1 3.488 ppm2 2.112 CV 1
ASSI { 796}
(( segid "SAP" and resid 160 and name HG1 ))
(( segid "SAP" and resid 160 and name HD1 ))
2.600 0.800 0.800 peak 796 spectrum 1 weight 0.10000E+01 volume 0.42180E-02 ppm1 3.488 ppm2 1.880 CV 1
ASSI { 797}
(( segid "SAP" and resid 160 and name HG2 ))
(( segid "SAP" and resid 160 and name HD1 ))
2.500 0.800 0.800 peak 797 spectrum 1 weight 0.10000E+01 volume 0.32594E-02 ppm1 3.488 ppm2 1.556 CV 1
ASSI { 798}
(( segid "SAP" and resid 160 and name HB1 ))
(( segid "SAP" and resid 160 and name HD2 ))
2.900 1.000 1.000 peak 798 spectrum 1 weight 0.10000E+01 volume 0.21282E-02 ppm1 3.425 ppm2 2.228 CV 1
ASSI { 799}
(( segid "SAP" and resid 160 and name HB2 ))
(( segid "SAP" and resid 160 and name HD2 ))
2.800 1.000 1.000 peak 799 spectrum 1 weight 0.10000E+01 volume 0.17256E-02 ppm1 3.431 ppm2 2.111 CV 1
ASSI { 800}
(( segid "SAP" and resid 160 and name HG1 ))
(( segid "SAP" and resid 160 and name HD2 ))
2.700 0.900 0.900 peak 800 spectrum 1 weight 0.10000E+01 volume 0.43778E-02 ppm1 3.423 ppm2 1.880 CV 1
ASSI { 801}
(( segid "SAP" and resid 160 and name HG2 ))
(( segid "SAP" and resid 160 and name HD2 ))
2.600 0.900 0.900 peak 801 spectrum 1 weight 0.10000E+01 volume 0.39305E-02 ppm1 3.429 ppm2 1.555 CV 1
ASSI { 807}
(( segid "SAP" and resid 163 and name HD1 ))
(( segid "SAP" and resid 163 and name HA ))
3.700 1.700 1.700 peak 807 spectrum 1 weight 0.10000E+01 volume 0.79890E-03 ppm1 4.167 ppm2 3.219 CV 1
ASSI { 810}
(( segid "SAP" and resid 164 and name HA ))
(( segid "SAP" and resid 164 and name HB1 ))
3.600 1.600 1.600 peak 810 spectrum 1 weight 0.10000E+01 volume 0.76370E-03 ppm1 2.947 ppm2 3.954 CV 1
ASSI { 814}
(( segid "SAP" and resid 166 and name HB1 ))
(( segid "SAP" and resid 166 and name HA ))
2.500 0.800 0.800 peak 814 spectrum 1 weight 0.10000E+01 volume 0.34831E-02 ppm1 3.841 ppm2 2.022 CV 1
ASSI { 815}
(( segid "SAP" and resid 166 and name HB2 ))
(( segid "SAP" and resid 166 and name HA ))
2.700 0.900 0.900 peak 815 spectrum 1 weight 0.10000E+01 volume 0.53045E-02 ppm1 3.840 ppm2 1.796 CV 1
ASSI { 818}
(( segid "SAP" and resid 166 and name HG1 ))
(( segid "SAP" and resid 166 and name HA ))
2.500 0.800 0.800 peak 818 spectrum 1 weight 0.10000E+01 volume 0.81803E-02 ppm1 3.842 ppm2 1.269 CV 1
OR { 818}
(( segid "SAP" and resid 166 and name HG2 ))
(( segid "SAP" and resid 166 and name HA ))
ASSI { 819}
(( segid "SAP" and resid 167 and name HB2 ))
(( segid "SAP" and resid 167 and name HA ))
3.200 1.300 1.300 peak 819 spectrum 1 weight 0.10000E+01 volume 0.15211E-02 ppm1 4.541 ppm2 1.382 CV 1
ASSI { 820}
(( segid "SAP" and resid 167 and name HA ))
(( segid "SAP" and resid 167 and name HB1 ))
3.800 1.800 1.800 peak 820 spectrum 1 weight 0.10000E+01 volume 0.31955E-03 ppm1 1.631 ppm2 4.542 CV 1
ASSI { 821}
(( segid "SAP" and resid 173 and name HA ))
(( segid "SAP" and resid 173 and name HB1 ))
2.900 1.100 1.100 peak 821 spectrum 1 weight 0.10000E+01 volume 0.15498E-02 ppm1 1.751 ppm2 4.303 CV 1
ASSI { 826}
(( segid "SAP" and resid 177 and name HA ))
(( segid "SAP" and resid 177 and name HG2 ))
2.800 1.000 1.000 peak 826 spectrum 1 weight 0.10000E+01 volume 0.26235E-02 ppm1 2.400 ppm2 4.087 CV 1
ASSI { 828}
(( segid "SAP" and resid 178 and name HA ))
(( segid "SAP" and resid 178 and name HB2 ))
3.200 1.300 1.300 peak 828 spectrum 1 weight 0.10000E+01 volume 0.14220E-02 ppm1 1.577 ppm2 4.050 CV 1
ASSI { 835}
(( segid "SAP" and resid 183 and name HA1 ))
(( segid "SAP" and resid 183 and name HA2 ))
2.300 0.600 0.600 peak 835 spectrum 1 weight 0.10000E+01 volume 0.40902E-02 ppm1 3.583 ppm2 3.917 CV 1
ASSI { 849}
(( segid "SAP" and resid 190 and name HB1 ))
(( segid "SAP" and resid 190 and name HA ))
2.300 0.600 0.600 peak 849 spectrum 1 weight 0.10000E+01 volume 0.76691E-02 ppm1 4.506 ppm2 2.123 CV 1
ASSI { 850}
(( segid "SAP" and resid 190 and name HB2 ))
(( segid "SAP" and resid 190 and name HA ))
2.900 1.000 1.000 peak 850 spectrum 1 weight 0.10000E+01 volume 0.39305E-02 ppm1 4.503 ppm2 1.824 CV 1
ASSI { 851}
(( segid "SAP" and resid 190 and name HG2 ))
(( segid "SAP" and resid 190 and name HA ))
3.800 1.800 1.800 peak 851 spectrum 1 weight 0.10000E+01 volume 0.11440E-02 ppm1 4.504 ppm2 1.946 CV 1
OR { 851}
(( segid "SAP" and resid 190 and name HG1 ))
(( segid "SAP" and resid 190 and name HA ))
ASSI { 868}
(( segid "SAP" and resid 193 and name HA ))
(( segid "SAP" and resid 193 and name HG2 ))
3.800 1.800 1.800 peak 868 spectrum 1 weight 0.10000E+01 volume 0.64550E-03 ppm1 2.070 ppm2 3.525 CV 1
ASSI { 870}
(( segid "SAP" and resid 194 and name HA ))
(( segid "SAP" and resid 194 and name HG2 ))
3.000 1.100 1.100 peak 870 spectrum 1 weight 0.10000E+01 volume 0.34192E-02 ppm1 1.410 ppm2 3.945 CV 1
ASSI { 871}
(( segid "SAP" and resid 195 and name HB1 ))
(( segid "SAP" and resid 195 and name HA ))
2.600 0.900 0.900 peak 871 spectrum 1 weight 0.10000E+01 volume 0.59117E-02 ppm1 4.363 ppm2 2.641 CV 1
ASSI { 872}
(( segid "SAP" and resid 195 and name HB2 ))
(( segid "SAP" and resid 195 and name HA ))
2.600 0.800 0.800 peak 872 spectrum 1 weight 0.10000E+01 volume 0.42500E-02 ppm1 4.362 ppm2 2.513 CV 1
ASSI { 894}
( segid "SAP" and resid 202 and name HD% )
( segid "SAP" and resid 198 and name HG2%)
3.300 1.400 1.400 peak 894 spectrum 1 weight 0.10000E+01 volume 0.11599E-02 ppm1 1.245 ppm2 -0.829 CV 1
ASSI { 896}
(( segid "SAP" and resid 199 and name HA ))
(( segid "SAP" and resid 199 and name HB1 ))
2.600 0.800 0.800 peak 896 spectrum 1 weight 0.10000E+01 volume 0.48572E-02 ppm1 3.154 ppm2 4.211 CV 1
ASSI { 897}
(( segid "SAP" and resid 200 and name HB2 ))
(( segid "SAP" and resid 200 and name HA ))
3.400 1.500 1.500 peak 897 spectrum 1 weight 0.10000E+01 volume 0.56561E-03 ppm1 4.984 ppm2 3.278 CV 1
ASSI { 901}
( segid "SAP" and resid 200 and name HD% )
( segid "SAP" and resid 201 and name HD1%)
4.300 2.300 1.700 peak 901 spectrum 1 weight 0.10000E+01 volume 0.59436E-03 ppm1 1.039 ppm2 -0.334 CV 1
ASSI { 918}
( segid "SAP" and resid 204 and name HG2%)
(( segid "SAP" and resid 204 and name HA ))
2.600 0.800 0.800 peak 918 spectrum 1 weight 0.10000E+01 volume 0.48891E-02 ppm1 3.566 ppm2 -0.027 CV 1
ASSI { 921}
( segid "SAP" and resid 200 and name HD% )
( segid "SAP" and resid 204 and name HG1%)
4.000 2.000 2.000 peak 921 spectrum 1 weight 0.10000E+01 volume 0.84680E-03 ppm1 0.313 ppm2 -0.336 CV 1
ASSI { 922}
( segid "SAP" and resid 204 and name HG2%)
( segid "SAP" and resid 204 and name HG1%)
2.300 0.600 0.600 peak 922 spectrum 1 weight 0.10000E+01 volume 0.10673E-01 ppm1 0.315 ppm2 -0.028 CV 1
ASSI { 929}
(( segid "SAP" and resid 205 and name HD2 ))
(( segid "SAP" and resid 205 and name HB2 ))
2.700 0.900 0.900 peak 929 spectrum 1 weight 0.10000E+01 volume 0.38346E-02 ppm1 1.814 ppm2 3.125 CV 1
OR { 929}
(( segid "SAP" and resid 205 and name HD2 ))
(( segid "SAP" and resid 205 and name HB1 ))
OR { 929}
(( segid "SAP" and resid 205 and name HD1 ))
(( segid "SAP" and resid 205 and name HB2 ))
OR { 929}
(( segid "SAP" and resid 205 and name HD1 ))
(( segid "SAP" and resid 205 and name HB1 ))
ASSI { 932}
(( segid "SAP" and resid 208 and name HA ))
(( segid "SAP" and resid 208 and name HG1 ))
3.000 1.200 1.200 peak 932 spectrum 1 weight 0.10000E+01 volume 0.20931E-02 ppm1 1.423 ppm2 4.177 CV 1
ASSI { 933}
(( segid "SAP" and resid 208 and name HA ))
(( segid "SAP" and resid 208 and name HG2 ))
3.100 1.200 1.200 peak 933 spectrum 1 weight 0.10000E+01 volume 0.23167E-02 ppm1 1.361 ppm2 4.178 CV 1
ASSI { 935}
(( segid "SAP" and resid 211 and name HB2 ))
(( segid "SAP" and resid 211 and name HA ))
2.500 0.800 0.800 peak 935 spectrum 1 weight 0.10000E+01 volume 0.66466E-02 ppm1 4.388 ppm2 3.843 CV 1
OR { 935}
(( segid "SAP" and resid 211 and name HB1 ))
(( segid "SAP" and resid 211 and name HA ))
ASSI { 937}
(( segid "SAP" and resid 219 and name HA ))
( segid "SAP" and resid 219 and name HG1%)
4.100 2.100 1.900 peak 937 spectrum 1 weight 0.10000E+01 volume 0.37388E-03 ppm1 0.850 ppm2 4.040 CV 1
ASSI { 938}
(( segid "SAP" and resid 219 and name HA ))
( segid "SAP" and resid 219 and name HG2%)
4.300 2.300 1.700 peak 938 spectrum 1 weight 0.10000E+01 volume 0.28823E-03 ppm1 0.831 ppm2 4.047 CV 1
ASSI { 939}
(( segid "SAP" and resid 201 and name HB ))
( segid "SAP" and resid 201 and name HG2%)
2.700 0.900 0.900 peak 939 spectrum 1 weight 0.10000E+01 volume 0.29334E-02 ppm1 1.030 ppm2 2.033 CV 1
ASSI { 941}
(( segid "SAP" and resid 171 and name HD2 ))
(( segid "SAP" and resid 170 and name HB1 ))
3.000 1.200 1.200 peak 941 spectrum 1 weight 0.10000E+01 volume 0.17639E-02 ppm1 1.876 ppm2 3.615 CV 1
ASSI { 942}
(( segid "SAP" and resid 171 and name HD1 ))
(( segid "SAP" and resid 170 and name HB1 ))
4.000 2.000 2.000 peak 942 spectrum 1 weight 0.10000E+01 volume 0.10258E-02 ppm1 1.870 ppm2 3.784 CV 1
ASSI { 947}
(( segid "SAP" and resid 162 and name HE2 ))
(( segid "SAP" and resid 162 and name HD1 ))
2.700 0.900 0.900 peak 947 spectrum 1 weight 0.10000E+01 volume 0.24957E-02 ppm1 1.673 ppm2 2.927 CV 1
OR { 947}
(( segid "SAP" and resid 162 and name HE1 ))
(( segid "SAP" and resid 162 and name HD1 ))
ASSI { 948}
(( segid "SAP" and resid 162 and name HE1 ))
(( segid "SAP" and resid 162 and name HD2 ))
2.900 1.000 1.000 peak 948 spectrum 1 weight 0.10000E+01 volume 0.19556E-02 ppm1 1.587 ppm2 2.928 CV 1
OR { 948}
(( segid "SAP" and resid 162 and name HE2 ))
(( segid "SAP" and resid 162 and name HD2 ))
ASSI { 953}
( segid "SAP" and resid 169 and name HG2%)
(( segid "SAP" and resid 162 and name HD2 ))
3.800 1.800 1.800 peak 953 spectrum 1 weight 0.10000E+01 volume 0.11152E-02 ppm1 1.581 ppm2 1.072 CV 1
ASSI { 954}
( segid "SAP" and resid 169 and name HG2%)
(( segid "SAP" and resid 162 and name HD1 ))
3.300 1.400 1.400 peak 954 spectrum 1 weight 0.10000E+01 volume 0.14348E-02 ppm1 1.679 ppm2 1.071 CV 1
ASSI { 956}
( segid "SAP" and resid 178 and name HD2%)
(( segid "SAP" and resid 162 and name HD2 ))
2.500 0.800 0.800 peak 956 spectrum 1 weight 0.10000E+01 volume 0.46655E-02 ppm1 1.591 ppm2 0.805 CV 1
ASSI { 957}
(( segid "SAP" and resid 162 and name HB1 ))
(( segid "SAP" and resid 162 and name HD1 ))
3.000 1.100 1.100 peak 957 spectrum 1 weight 0.10000E+01 volume 0.17447E-02 ppm1 1.675 ppm2 2.106 CV 1
OR { 957}
(( segid "SAP" and resid 162 and name HB2 ))
(( segid "SAP" and resid 162 and name HD1 ))
ASSI { 958}
(( segid "SAP" and resid 162 and name HB1 ))
(( segid "SAP" and resid 162 and name HD2 ))
3.000 1.200 1.200 peak 958 spectrum 1 weight 0.10000E+01 volume 0.25404E-02 ppm1 1.588 ppm2 2.106 CV 1
OR { 958}
(( segid "SAP" and resid 162 and name HB2 ))
(( segid "SAP" and resid 162 and name HD2 ))
ASSI { 959}
(( segid "SAP" and resid 162 and name HG2 ))
(( segid "SAP" and resid 162 and name HD2 ))
2.300 0.700 0.700 peak 959 spectrum 1 weight 0.10000E+01 volume 0.60715E-02 ppm1 1.588 ppm2 1.489 CV 1
ASSI { 960}
(( segid "SAP" and resid 162 and name HG2 ))
(( segid "SAP" and resid 162 and name HD1 ))
2.500 0.800 0.800 peak 960 spectrum 1 weight 0.10000E+01 volume 0.57838E-02 ppm1 1.673 ppm2 1.490 CV 1
ASSI { 962}
(( segid "SAP" and resid 201 and name HB ))
(( segid "SAP" and resid 201 and name HG12))
3.800 1.800 1.800 peak 962 spectrum 1 weight 0.10000E+01 volume 0.60075E-03 ppm1 1.345 ppm2 2.025 CV 1
ASSI { 963}
(( segid "SAP" and resid 194 and name HB2 ))
(( segid "SAP" and resid 195 and name HA ))
3.900 1.900 1.900 peak 963 spectrum 1 weight 0.10000E+01 volume 0.69982E-03 ppm1 4.363 ppm2 1.855 CV 1
OR { 963}
(( segid "SAP" and resid 194 and name HB1 ))
(( segid "SAP" and resid 195 and name HA ))
ASSI { 964}
(( segid "SAP" and resid 155 and name HB ))
( segid "SAP" and resid 155 and name HG2%)
2.200 0.600 0.600 peak 964 spectrum 1 weight 0.10000E+01 volume 0.11216E-01 ppm1 0.952 ppm2 2.081 CV 1
ASSI { 965}
( segid "SAP" and resid 167 and name HD2%)
(( segid "SAP" and resid 168 and name HD1 ))
4.000 2.000 2.000 peak 965 spectrum 1 weight 0.10000E+01 volume 0.10481E-02 ppm1 4.020 ppm2 0.779 CV 1
ASSI { 967}
(( segid "SAP" and resid 190 and name HG2 ))
(( segid "SAP" and resid 190 and name HD1 ))
3.000 1.100 1.100 peak 967 spectrum 1 weight 0.10000E+01 volume 0.17575E-02 ppm1 4.033 ppm2 1.942 CV 1
OR { 967}
(( segid "SAP" and resid 190 and name HG1 ))
(( segid "SAP" and resid 190 and name HD1 ))
ASSI { 970}
(( segid "SAP" and resid 171 and name HG1 ))
(( segid "SAP" and resid 171 and name HD2 ))
2.500 0.800 0.800 peak 970 spectrum 1 weight 0.10000E+01 volume 0.54963E-02 ppm1 3.611 ppm2 2.020 CV 1
OR { 970}
(( segid "SAP" and resid 171 and name HG2 ))
(( segid "SAP" and resid 171 and name HD2 ))
ASSI { 974}
(( segid "SAP" and resid 170 and name HB2 ))
(( segid "SAP" and resid 171 and name HD1 ))
3.700 1.700 1.700 peak 974 spectrum 1 weight 0.10000E+01 volume 0.14923E-02 ppm1 3.774 ppm2 1.679 CV 1
ASSI { 975}
(( segid "SAP" and resid 167 and name HB1 ))
(( segid "SAP" and resid 168 and name HD2 ))
2.800 1.000 1.000 peak 975 spectrum 1 weight 0.10000E+01 volume 0.25532E-02 ppm1 3.653 ppm2 1.644 CV 1
ASSI { 976}
(( segid "SAP" and resid 170 and name HB2 ))
(( segid "SAP" and resid 171 and name HD2 ))
2.700 0.900 0.900 peak 976 spectrum 1 weight 0.10000E+01 volume 0.26203E-02 ppm1 3.612 ppm2 1.683 CV 1
ASSI { 977}
(( segid "SAP" and resid 168 and name HG1 ))
(( segid "SAP" and resid 168 and name HD2 ))
3.000 1.100 1.100 peak 977 spectrum 1 weight 0.10000E+01 volume 0.34192E-02 ppm1 3.668 ppm2 2.144 CV 1
ASSI { 980}
(( segid "SAP" and resid 191 and name HA ))
( segid "SAP" and resid 191 and name HG2%)
2.400 0.700 0.700 peak 980 spectrum 1 weight 0.10000E+01 volume 0.73816E-02 ppm1 0.670 ppm2 3.991 CV 1
ASSI { 982}
(( segid "SAP" and resid 165 and name HB1 ))
( segid "SAP" and resid 167 and name HD2%)
2.800 1.000 1.000 peak 982 spectrum 1 weight 0.10000E+01 volume 0.29207E-02 ppm1 0.775 ppm2 2.901 CV 1
ASSI { 985}
(( segid "SAP" and resid 167 and name HB2 ))
( segid "SAP" and resid 167 and name HD2%)
2.900 1.100 1.100 peak 985 spectrum 1 weight 0.10000E+01 volume 0.60395E-02 ppm1 0.776 ppm2 1.393 CV 1
ASSI { 986}
(( segid "SAP" and resid 167 and name HG ))
( segid "SAP" and resid 167 and name HD2%)
2.100 0.500 0.500 peak 986 spectrum 1 weight 0.10000E+01 volume 0.14156E-01 ppm1 0.773 ppm2 1.615 CV 1
OR { 986}
(( segid "SAP" and resid 167 and name HB1 ))
( segid "SAP" and resid 167 and name HD2%)
ASSI { 989}
(( segid "SAP" and resid 173 and name HG ))
( segid "SAP" and resid 173 and name HD2%)
2.100 0.500 0.500 peak 989 spectrum 1 weight 0.10000E+01 volume 0.13294E-01 ppm1 0.723 ppm2 1.817 CV 1
ASSI { 991}
(( segid "SAP" and resid 153 and name HB2 ))
( segid "SAP" and resid 153 and name HD1%)
2.500 0.800 0.800 peak 991 spectrum 1 weight 0.10000E+01 volume 0.53365E-02 ppm1 0.885 ppm2 1.205 CV 1
ASSI { 992}
( segid "SAP" and resid 153 and name HD2%)
( segid "SAP" and resid 153 and name HD1%)
1.900 0.400 0.400 peak 992 spectrum 1 weight 0.10000E+01 volume 0.27865E-01 ppm1 0.885 ppm2 0.751 CV 1
ASSI { 994}
( segid "SAP" and resid 150 and name HD2%)
( segid "SAP" and resid 182 and name HG1%)
3.700 1.700 1.700 peak 994 spectrum 1 weight 0.10000E+01 volume 0.59756E-03 ppm1 0.755 ppm2 0.198 CV 1
ASSI { 995}
( segid "SAP" and resid 150 and name HD1%)
( segid "SAP" and resid 182 and name HG1%)
2.600 0.800 0.800 peak 995 spectrum 1 weight 0.10000E+01 volume 0.40263E-02 ppm1 0.757 ppm2 0.459 CV 1
ASSI { 998}
(( segid "SAP" and resid 185 and name HE1 ))
( segid "SAP" and resid 189 and name HD1%)
3.400 1.400 1.400 peak 998 spectrum 1 weight 0.10000E+01 volume 0.23104E-02 ppm1 0.682 ppm2 5.539 CV 1
ASSI { 1000}
(( segid "SAP" and resid 162 and name HE1 ))
(( segid "SAP" and resid 162 and name HG1 ))
3.200 1.300 1.300 peak 1000 spectrum 1 weight 0.10000E+01 volume 0.20963E-02 ppm1 1.740 ppm2 2.927 CV 1
OR { 1000}
(( segid "SAP" and resid 162 and name HE2 ))
(( segid "SAP" and resid 162 and name HG1 ))
ASSI { 1001}
(( segid "SAP" and resid 162 and name HB1 ))
(( segid "SAP" and resid 162 and name HG1 ))
2.900 1.100 1.100 peak 1001 spectrum 1 weight 0.10000E+01 volume 0.18885E-02 ppm1 1.741 ppm2 2.119 CV 1
OR { 1001}
(( segid "SAP" and resid 162 and name HB2 ))
(( segid "SAP" and resid 162 and name HG1 ))
ASSI { 1003}
(( segid "SAP" and resid 175 and name HB2 ))
(( segid "SAP" and resid 175 and name HA ))
2.300 0.700 0.700 peak 1003 spectrum 1 weight 0.10000E+01 volume 0.71260E-02 ppm1 3.741 ppm2 1.818 CV 1
OR { 1003}
(( segid "SAP" and resid 175 and name HB1 ))
(( segid "SAP" and resid 175 and name HA ))
ASSI { 1004}
(( segid "SAP" and resid 175 and name HD2 ))
(( segid "SAP" and resid 175 and name HA ))
2.400 0.700 0.700 peak 1004 spectrum 1 weight 0.10000E+01 volume 0.51448E-02 ppm1 3.743 ppm2 1.557 CV 1
OR { 1004}
(( segid "SAP" and resid 175 and name HD1 ))
(( segid "SAP" and resid 175 and name HA ))
ASSI { 1005}
(( segid "SAP" and resid 175 and name HG1 ))
(( segid "SAP" and resid 175 and name HA ))
3.000 1.100 1.100 peak 1005 spectrum 1 weight 0.10000E+01 volume 0.22880E-02 ppm1 3.744 ppm2 1.180 CV 1
ASSI { 1007}
(( segid "SAP" and resid 175 and name HE2 ))
(( segid "SAP" and resid 175 and name HD2 ))
2.600 0.900 0.900 peak 1007 spectrum 1 weight 0.10000E+01 volume 0.36749E-02 ppm1 1.559 ppm2 2.528 CV 1
OR { 1007}
(( segid "SAP" and resid 175 and name HE2 ))
(( segid "SAP" and resid 175 and name HD1 ))
ASSI { 1008}
(( segid "SAP" and resid 175 and name HG1 ))
(( segid "SAP" and resid 175 and name HD2 ))
2.500 0.800 0.800 peak 1008 spectrum 1 weight 0.10000E+01 volume 0.45057E-02 ppm1 1.560 ppm2 1.167 CV 1
OR { 1008}
(( segid "SAP" and resid 175 and name HG1 ))
(( segid "SAP" and resid 175 and name HD1 ))
ASSI { 1011}
( segid "SAP" and resid 169 and name HG2%)
(( segid "SAP" and resid 168 and name HA ))
4.000 2.000 2.000 peak 1011 spectrum 1 weight 0.10000E+01 volume 0.47294E-03 ppm1 4.500 ppm2 1.069 CV 1
ASSI { 1013}
(( segid "SAP" and resid 168 and name HD2 ))
(( segid "SAP" and resid 168 and name HB2 ))
3.700 1.700 1.700 peak 1013 spectrum 1 weight 0.10000E+01 volume 0.10514E-02 ppm1 1.936 ppm2 3.667 CV 1
ASSI { 1014}
(( segid "SAP" and resid 168 and name HD1 ))
(( segid "SAP" and resid 168 and name HB1 ))
3.400 1.400 1.400 peak 1014 spectrum 1 weight 0.10000E+01 volume 0.12270E-02 ppm1 2.171 ppm2 4.015 CV 1
ASSI { 1016}
(( segid "SAP" and resid 167 and name HA ))
(( segid "SAP" and resid 168 and name HD2 ))
2.400 0.700 0.700 peak 1016 spectrum 1 weight 0.10000E+01 volume 0.68703E-02 ppm1 3.670 ppm2 4.530 CV 1
ASSI { 1017}
(( segid "SAP" and resid 168 and name HD1 ))
(( segid "SAP" and resid 168 and name HD2 ))
1.900 0.500 0.500 peak 1017 spectrum 1 weight 0.10000E+01 volume 0.12175E-01 ppm1 3.672 ppm2 4.019 CV 1
ASSI { 1020}
(( segid "SAP" and resid 168 and name HD1 ))
(( segid "SAP" and resid 168 and name HG2 ))
3.000 1.100 1.100 peak 1020 spectrum 1 weight 0.10000E+01 volume 0.37068E-02 ppm1 2.043 ppm2 4.022 CV 1
ASSI { 1021}
(( segid "SAP" and resid 168 and name HG2 ))
(( segid "SAP" and resid 167 and name HA ))
4.600 2.600 1.400 peak 1021 spectrum 1 weight 0.10000E+01 volume 0.50808E-03 ppm1 4.534 ppm2 2.037 CV 1
ASSI { 1022}
(( segid "SAP" and resid 168 and name HB2 ))
(( segid "SAP" and resid 167 and name HA ))
5.100 3.300 0.900 peak 1022 spectrum 1 weight 0.10000E+01 volume 0.27258E-03 ppm1 4.540 ppm2 1.937 CV 1
ASSI { 1023}
( segid "SAP" and resid 151 and name HE% )
(( segid "SAP" and resid 151 and name HB2 ))
5.100 3.200 0.900 peak 1023 spectrum 1 weight 0.10000E+01 volume 0.25692E-03 ppm1 3.039 ppm2 -1.312 CV 1
ASSI { 1024}
( segid "SAP" and resid 151 and name HD% )
(( segid "SAP" and resid 179 and name HB ))
4.800 2.900 1.200 peak 1024 spectrum 1 weight 0.10000E+01 volume 0.18151E-03 ppm1 1.926 ppm2 -0.894 CV 1
ASSI { 1027}
( segid "SAP" and resid 151 and name HE% )
(( segid "SAP" and resid 175 and name HD2 ))
5.000 3.100 1.000 peak 1027 spectrum 1 weight 0.10000E+01 volume 0.21730E-03 ppm1 1.551 ppm2 -1.296 CV 1
OR { 1027}
( segid "SAP" and resid 151 and name HE% )
(( segid "SAP" and resid 175 and name HD1 ))
ASSI { 1028}
( segid "SAP" and resid 151 and name HD% )
(( segid "SAP" and resid 175 and name HD2 ))
4.200 2.200 1.800 peak 1028 spectrum 1 weight 0.10000E+01 volume 0.50489E-03 ppm1 1.552 ppm2 -0.888 CV 1
OR { 1028}
( segid "SAP" and resid 151 and name HD% )
(( segid "SAP" and resid 175 and name HD1 ))
ASSI { 1035}
(( segid "SAP" and resid 201 and name HG11))
( segid "SAP" and resid 201 and name HG2%)
3.900 1.900 1.900 peak 1035 spectrum 1 weight 0.10000E+01 volume 0.10577E-02 ppm1 1.027 ppm2 2.190 CV 1
ASSI { 1037}
(( segid "SAP" and resid 201 and name HG12))
( segid "SAP" and resid 201 and name HG2%)
3.100 1.200 1.200 peak 1037 spectrum 1 weight 0.10000E+01 volume 0.12303E-02 ppm1 1.023 ppm2 1.341 CV 1
ASSI { 1039}
(( segid "SAP" and resid 186 and name HB2 ))
(( segid "SAP" and resid 183 and name HA1 ))
4.400 2.400 1.600 peak 1039 spectrum 1 weight 0.10000E+01 volume 0.98103E-03 ppm1 3.916 ppm2 3.013 CV 1
ASSI { 1040}
( segid "SAP" and resid 182 and name HG2%)
(( segid "SAP" and resid 183 and name HA1 ))
5.500 3.800 0.500 peak 1040 spectrum 1 weight 0.10000E+01 volume 0.21282E-03 ppm1 3.924 ppm2 -0.202 CV 1
ASSI { 1041}
(( segid "SAP" and resid 185 and name HE1 ))
( segid "SAP" and resid 189 and name HG2%)
4.400 2.400 1.600 peak 1041 spectrum 1 weight 0.10000E+01 volume 0.32594E-03 ppm1 0.713 ppm2 5.535 CV 1
ASSI { 1045}
(( segid "SAP" and resid 177 and name HB1 ))
( segid "SAP" and resid 181 and name HD1%)
3.300 1.400 1.400 peak 1045 spectrum 1 weight 0.10000E+01 volume 0.71260E-03 ppm1 0.876 ppm2 2.281 CV 1
ASSI { 1046}
(( segid "SAP" and resid 173 and name HA ))
( segid "SAP" and resid 181 and name HD1%)
4.500 2.600 1.500 peak 1046 spectrum 1 weight 0.10000E+01 volume 0.48572E-03 ppm1 0.865 ppm2 4.302 CV 1
ASSI { 1048}
( segid "SAP" and resid 169 and name HG2%)
( segid "SAP" and resid 181 and name HD1%)
2.200 0.600 0.600 peak 1048 spectrum 1 weight 0.10000E+01 volume 0.12558E-01 ppm1 0.877 ppm2 1.060 CV 1
ASSI { 1049}
(( segid "SAP" and resid 201 and name HG11))
( segid "SAP" and resid 201 and name HD1%)
2.200 0.600 0.600 peak 1049 spectrum 1 weight 0.10000E+01 volume 0.79890E-02 ppm1 1.038 ppm2 2.206 CV 1
ASSI { 1050}
(( segid "SAP" and resid 201 and name HB ))
( segid "SAP" and resid 201 and name HD1%)
2.300 0.700 0.700 peak 1050 spectrum 1 weight 0.10000E+01 volume 0.74778E-02 ppm1 1.039 ppm2 2.034 CV 1
ASSI { 1051}
(( segid "SAP" and resid 197 and name HB1 ))
( segid "SAP" and resid 201 and name HD1%)
3.000 1.200 1.200 peak 1051 spectrum 1 weight 0.10000E+01 volume 0.11472E-02 ppm1 1.038 ppm2 1.699 CV 1
ASSI { 1052}
(( segid "SAP" and resid 170 and name HA ))
(( segid "SAP" and resid 170 and name HD1 ))
3.600 1.600 1.600 peak 1052 spectrum 1 weight 0.10000E+01 volume 0.13868E-02 ppm1 3.171 ppm2 4.676 CV 1
OR { 1052}
(( segid "SAP" and resid 170 and name HA ))
(( segid "SAP" and resid 170 and name HD2 ))
ASSI { 1053}
( segid "SAP" and resid 173 and name HD2%)
(( segid "SAP" and resid 170 and name HD2 ))
2.800 2.800 3.200 peak 1053 spectrum 1 weight 0.10000E+01 volume 0.15946E-02 ppm1 3.170 ppm2 0.724 CV 1
OR { 1053}
( segid "SAP" and resid 173 and name HD2%)
(( segid "SAP" and resid 170 and name HD1 ))
ASSI { 1054}
(( segid "SAP" and resid 171 and name HD2 ))
(( segid "SAP" and resid 170 and name HA ))
2.600 0.800 0.800 peak 1054 spectrum 1 weight 0.10000E+01 volume 0.58477E-02 ppm1 4.673 ppm2 3.608 CV 1
ASSI { 1055}
(( segid "SAP" and resid 171 and name HD1 ))
(( segid "SAP" and resid 170 and name HA ))
2.100 0.600 0.600 peak 1055 spectrum 1 weight 0.10000E+01 volume 0.96182E-02 ppm1 4.673 ppm2 3.781 CV 1
ASSI { 1057}
(( segid "SAP" and resid 170 and name HB2 ))
(( segid "SAP" and resid 170 and name HA ))
2.500 0.800 0.800 peak 1057 spectrum 1 weight 0.10000E+01 volume 0.59436E-02 ppm1 4.672 ppm2 1.672 CV 1
ASSI { 1058}
(( segid "SAP" and resid 170 and name HB1 ))
(( segid "SAP" and resid 170 and name HA ))
2.600 0.800 0.800 peak 1058 spectrum 1 weight 0.10000E+01 volume 0.39624E-02 ppm1 4.672 ppm2 1.871 CV 1
ASSI { 1059}
(( segid "SAP" and resid 171 and name HG2 ))
(( segid "SAP" and resid 170 and name HA ))
3.700 1.800 1.800 peak 1059 spectrum 1 weight 0.10000E+01 volume 0.25980E-02 ppm1 4.672 ppm2 2.001 CV 1
OR { 1059}
(( segid "SAP" and resid 171 and name HG1 ))
(( segid "SAP" and resid 170 and name HA ))
ASSI { 1060}
(( segid "SAP" and resid 170 and name HD1 ))
(( segid "SAP" and resid 170 and name HB2 ))
2.700 0.900 0.900 peak 1060 spectrum 1 weight 0.10000E+01 volume 0.39305E-02 ppm1 1.693 ppm2 3.175 CV 1
OR { 1060}
(( segid "SAP" and resid 170 and name HD2 ))
(( segid "SAP" and resid 170 and name HB2 ))
ASSI { 1065}
(( segid "SAP" and resid 171 and name HB1 ))
(( segid "SAP" and resid 171 and name HA ))
2.100 0.500 0.500 peak 1065 spectrum 1 weight 0.10000E+01 volume 0.11727E-01 ppm1 4.487 ppm2 2.301 CV 1
ASSI { 1066}
(( segid "SAP" and resid 171 and name HB1 ))
(( segid "SAP" and resid 171 and name HD2 ))
4.300 2.300 1.700 peak 1066 spectrum 1 weight 0.10000E+01 volume 0.62952E-03 ppm1 3.606 ppm2 2.304 CV 1
ASSI { 1068}
(( segid "SAP" and resid 208 and name HB2 ))
(( segid "SAP" and resid 207 and name HA ))
4.000 2.000 2.000 peak 1068 spectrum 1 weight 0.10000E+01 volume 0.11824E-02 ppm1 4.455 ppm2 1.742 CV 1
ASSI { 1069}
(( segid "SAP" and resid 208 and name HB1 ))
(( segid "SAP" and resid 207 and name HA ))
4.300 2.300 1.700 peak 1069 spectrum 1 weight 0.10000E+01 volume 0.70621E-03 ppm1 4.451 ppm2 1.830 CV 1
ASSI { 1070}
(( segid "SAP" and resid 208 and name HG1 ))
(( segid "SAP" and resid 207 and name HA ))
4.200 2.200 1.800 peak 1070 spectrum 1 weight 0.10000E+01 volume 0.64550E-03 ppm1 4.458 ppm2 1.397 CV 1
OR { 1070}
(( segid "SAP" and resid 208 and name HG2 ))
(( segid "SAP" and resid 207 and name HA ))
ASSI { 1072}
(( segid "SAP" and resid 205 and name HG1 ))
(( segid "SAP" and resid 205 and name HD1 ))
2.000 0.500 0.500 peak 1072 spectrum 1 weight 0.10000E+01 volume 0.20611E-01 ppm1 3.121 ppm2 1.826 CV 1
OR { 1072}
(( segid "SAP" and resid 205 and name HG1 ))
(( segid "SAP" and resid 205 and name HD2 ))
OR { 1072}
(( segid "SAP" and resid 205 and name HB1 ))
(( segid "SAP" and resid 205 and name HD2 ))
OR { 1072}
(( segid "SAP" and resid 205 and name HB2 ))
(( segid "SAP" and resid 205 and name HD1 ))
OR { 1072}
(( segid "SAP" and resid 205 and name HB1 ))
(( segid "SAP" and resid 205 and name HD1 ))
ASSI { 1073}
(( segid "SAP" and resid 205 and name HG2 ))
(( segid "SAP" and resid 205 and name HD1 ))
2.100 0.600 0.600 peak 1073 spectrum 1 weight 0.10000E+01 volume 0.13805E-01 ppm1 3.122 ppm2 1.606 CV 1
OR { 1073}
(( segid "SAP" and resid 205 and name HG2 ))
(( segid "SAP" and resid 205 and name HD2 ))
ASSI { 1075}
(( segid "SAP" and resid 156 and name HA ))
(( segid "SAP" and resid 159 and name HD2 ))
2.500 0.800 0.800 peak 1075 spectrum 1 weight 0.10000E+01 volume 0.49530E-02 ppm1 3.178 ppm2 4.446 CV 1
OR { 1075}
(( segid "SAP" and resid 156 and name HA ))
(( segid "SAP" and resid 159 and name HD1 ))
ASSI { 1076}
(( segid "SAP" and resid 159 and name HA ))
(( segid "SAP" and resid 159 and name HD2 ))
3.100 1.200 1.200 peak 1076 spectrum 1 weight 0.10000E+01 volume 0.35790E-02 ppm1 3.181 ppm2 3.958 CV 1
OR { 1076}
(( segid "SAP" and resid 159 and name HA ))
(( segid "SAP" and resid 159 and name HD1 ))
ASSI { 1078}
( segid "SAP" and resid 178 and name HD1%)
(( segid "SAP" and resid 159 and name HD1 ))
3.200 1.300 1.300 peak 1078 spectrum 1 weight 0.10000E+01 volume 0.12718E-02 ppm1 3.192 ppm2 0.812 CV 1
OR { 1078}
( segid "SAP" and resid 178 and name HD1%)
(( segid "SAP" and resid 159 and name HD2 ))
ASSI { 1079}
(( segid "SAP" and resid 157 and name HA ))
(( segid "SAP" and resid 160 and name HD2 ))
3.700 1.700 1.700 peak 1079 spectrum 1 weight 0.10000E+01 volume 0.48572E-03 ppm1 3.431 ppm2 4.146 CV 1
ASSI { 1080}
(( segid "SAP" and resid 160 and name HA ))
(( segid "SAP" and resid 160 and name HD2 ))
4.300 2.300 1.700 peak 1080 spectrum 1 weight 0.10000E+01 volume 0.68384E-03 ppm1 3.428 ppm2 3.993 CV 1
ASSI { 1081}
(( segid "SAP" and resid 160 and name HA ))
(( segid "SAP" and resid 160 and name HD1 ))
4.300 2.300 1.700 peak 1081 spectrum 1 weight 0.10000E+01 volume 0.89792E-03 ppm1 3.484 ppm2 4.007 CV 1
ASSI { 1084}
( segid "SAP" and resid 179 and name HG1%)
(( segid "SAP" and resid 175 and name HE2 ))
3.400 1.500 1.500 peak 1084 spectrum 1 weight 0.10000E+01 volume 0.13933E-02 ppm1 2.525 ppm2 0.588 CV 1
ASSI { 1086}
( segid "SAP" and resid 158 and name HD1%)
(( segid "SAP" and resid 175 and name HE2 ))
3.100 1.200 1.200 peak 1086 spectrum 1 weight 0.10000E+01 volume 0.16265E-02 ppm1 2.526 ppm2 0.680 CV 1
ASSI { 1087}
(( segid "SAP" and resid 175 and name HG2 ))
(( segid "SAP" and resid 175 and name HE2 ))
2.800 1.000 1.000 peak 1087 spectrum 1 weight 0.10000E+01 volume 0.27481E-02 ppm1 2.527 ppm2 1.039 CV 1
ASSI { 1088}
(( segid "SAP" and resid 175 and name HG1 ))
(( segid "SAP" and resid 175 and name HE2 ))
2.900 1.100 1.100 peak 1088 spectrum 1 weight 0.10000E+01 volume 0.16361E-02 ppm1 2.527 ppm2 1.175 CV 1
ASSI { 1091}
(( segid "SAP" and resid 175 and name HD2 ))
(( segid "SAP" and resid 175 and name HE1 ))
2.400 0.700 0.700 peak 1091 spectrum 1 weight 0.10000E+01 volume 0.46016E-02 ppm1 2.711 ppm2 1.554 CV 1
OR { 1091}
(( segid "SAP" and resid 175 and name HD1 ))
(( segid "SAP" and resid 175 and name HE1 ))
ASSI { 1092}
(( segid "SAP" and resid 175 and name HG1 ))
(( segid "SAP" and resid 175 and name HE1 ))
3.500 1.500 1.500 peak 1092 spectrum 1 weight 0.10000E+01 volume 0.15115E-02 ppm1 2.713 ppm2 1.176 CV 1
ASSI { 1093}
(( segid "SAP" and resid 175 and name HG2 ))
(( segid "SAP" and resid 175 and name HE1 ))
3.100 1.200 1.200 peak 1093 spectrum 1 weight 0.10000E+01 volume 0.29559E-02 ppm1 2.713 ppm2 1.041 CV 1
ASSI { 1096}
( segid "SAP" and resid 151 and name HD% )
(( segid "SAP" and resid 175 and name HE2 ))
3.900 1.900 1.900 peak 1096 spectrum 1 weight 0.10000E+01 volume 0.36109E-03 ppm1 2.531 ppm2 -0.891 CV 1
ASSI { 1097}
( segid "SAP" and resid 151 and name HD% )
(( segid "SAP" and resid 175 and name HE1 ))
4.900 3.000 1.100 peak 1097 spectrum 1 weight 0.10000E+01 volume 0.24861E-03 ppm1 2.713 ppm2 -0.896 CV 1
ASSI { 1098}
(( segid "SAP" and resid 175 and name HE1 ))
(( segid "SAP" and resid 151 and name HA ))
3.900 1.900 1.900 peak 1098 spectrum 1 weight 0.10000E+01 volume 0.70301E-03 ppm1 3.833 ppm2 2.721 CV 1
ASSI { 1100}
(( segid "SAP" and resid 175 and name HA ))
(( segid "SAP" and resid 175 and name HG2 ))
4.400 2.400 1.600 peak 1100 spectrum 1 weight 0.10000E+01 volume 0.45057E-03 ppm1 1.029 ppm2 3.739 CV 1
ASSI { 1104}
( segid "SAP" and resid 151 and name HD% )
(( segid "SAP" and resid 175 and name HG1 ))
3.200 1.300 1.300 peak 1104 spectrum 1 weight 0.10000E+01 volume 0.11408E-02 ppm1 1.179 ppm2 -0.873 CV 1
ASSI { 1105}
( segid "SAP" and resid 151 and name HD% )
(( segid "SAP" and resid 175 and name HG2 ))
3.800 1.800 1.800 peak 1105 spectrum 1 weight 0.10000E+01 volume 0.80204E-03 ppm1 1.065 ppm2 -0.876 CV 1
ASSI { 1106}
(( segid "SAP" and resid 213 and name HA ))
(( segid "SAP" and resid 213 and name HB2 ))
2.600 0.800 0.800 peak 1106 spectrum 1 weight 0.10000E+01 volume 0.47294E-02 ppm1 1.578 ppm2 4.262 CV 1
OR { 1106}
(( segid "SAP" and resid 213 and name HA ))
(( segid "SAP" and resid 213 and name HB1 ))
ASSI { 1107}
(( segid "SAP" and resid 173 and name HB1 ))
(( segid "SAP" and resid 173 and name HB2 ))
1.800 0.400 0.400 peak 1107 spectrum 1 weight 0.10000E+01 volume 0.13389E-01 ppm1 1.479 ppm2 1.761 CV 1
ASSI { 1108}
(( segid "SAP" and resid 178 and name HB2 ))
(( segid "SAP" and resid 178 and name HB1 ))
1.700 0.400 0.500 peak 1108 spectrum 1 weight 0.10000E+01 volume 0.15690E-01 ppm1 1.772 ppm2 1.571 CV 1
OR { 1108}
(( segid "SAP" and resid 178 and name HG ))
(( segid "SAP" and resid 178 and name HB1 ))
ASSI { 1110}
( segid "SAP" and resid 213 and name HD1%)
(( segid "SAP" and resid 213 and name HB1 ))
2.700 0.900 0.900 peak 1110 spectrum 1 weight 0.10000E+01 volume 0.41541E-02 ppm1 1.579 ppm2 0.880 CV 1
OR { 1110}
( segid "SAP" and resid 213 and name HD1%)
(( segid "SAP" and resid 213 and name HB2 ))
ASSI { 1111}
( segid "SAP" and resid 173 and name HD2%)
(( segid "SAP" and resid 173 and name HB1 ))
2.600 0.900 0.900 peak 1111 spectrum 1 weight 0.10000E+01 volume 0.31156E-02 ppm1 1.752 ppm2 0.717 CV 1
ASSI { 1125}
(( segid "SAP" and resid 162 and name HB2 ))
(( segid "SAP" and resid 162 and name HE1 ))
3.300 1.400 1.400 peak 1125 spectrum 1 weight 0.10000E+01 volume 0.10098E-02 ppm1 2.928 ppm2 2.111 CV 1
OR { 1125}
(( segid "SAP" and resid 162 and name HB2 ))
(( segid "SAP" and resid 162 and name HE2 ))
OR { 1125}
(( segid "SAP" and resid 162 and name HB1 ))
(( segid "SAP" and resid 162 and name HE1 ))
OR { 1125}
(( segid "SAP" and resid 162 and name HB1 ))
(( segid "SAP" and resid 162 and name HE2 ))
ASSI { 1126}
(( segid "SAP" and resid 181 and name HB ))
(( segid "SAP" and resid 162 and name HE2 ))
2.700 0.900 0.900 peak 1126 spectrum 1 weight 0.10000E+01 volume 0.36429E-02 ppm1 2.931 ppm2 1.947 CV 1
OR { 1126}
(( segid "SAP" and resid 181 and name HB ))
(( segid "SAP" and resid 162 and name HE1 ))
ASSI { 1128}
(( segid "SAP" and resid 166 and name HG2 ))
(( segid "SAP" and resid 166 and name HE2 ))
2.500 0.800 0.800 peak 1128 spectrum 1 weight 0.10000E+01 volume 0.70940E-02 ppm1 2.935 ppm2 1.261 CV 1
OR { 1128}
(( segid "SAP" and resid 166 and name HG2 ))
(( segid "SAP" and resid 166 and name HE1 ))
OR { 1128}
(( segid "SAP" and resid 166 and name HG1 ))
(( segid "SAP" and resid 166 and name HE2 ))
OR { 1128}
(( segid "SAP" and resid 166 and name HG1 ))
(( segid "SAP" and resid 166 and name HE1 ))
ASSI { 1134}
(( segid "SAP" and resid 194 and name HA ))
(( segid "SAP" and resid 197 and name HB1 ))
4.500 2.500 1.500 peak 1134 spectrum 1 weight 0.10000E+01 volume 0.61993E-03 ppm1 1.710 ppm2 3.948 CV 1
ASSI { 1136}
(( segid "SAP" and resid 197 and name HG ))
(( segid "SAP" and resid 197 and name HB2 ))
2.700 0.900 0.900 peak 1136 spectrum 1 weight 0.10000E+01 volume 0.21889E-02 ppm1 1.146 ppm2 1.458 CV 1
ASSI { 1151}
(( segid "SAP" and resid 189 and name HG12))
(( segid "SAP" and resid 189 and name HB ))
3.600 1.600 1.600 peak 1151 spectrum 1 weight 0.10000E+01 volume 0.82446E-03 ppm1 1.236 ppm2 0.448 CV 1
ASSI { 1156}
(( segid "SAP" and resid 209 and name HB1 ))
(( segid "SAP" and resid 209 and name HB2 ))
1.600 0.300 0.600 peak 1156 spectrum 1 weight 0.10000E+01 volume 0.36749E-01 ppm1 2.669 ppm2 2.860 CV 1
ASSI { 1157}
(( segid "SAP" and resid 203 and name HA ))
(( segid "SAP" and resid 206 and name HB1 ))
4.500 2.600 1.500 peak 1157 spectrum 1 weight 0.10000E+01 volume 0.40902E-03 ppm1 2.663 ppm2 4.121 CV 1
ASSI { 1161}
( segid "SAP" and resid 167 and name HD2%)
(( segid "SAP" and resid 165 and name HB2 ))
4.000 2.000 2.000 peak 1161 spectrum 1 weight 0.10000E+01 volume 0.72858E-03 ppm1 2.062 ppm2 0.773 CV 1
ASSI { 1162}
(( segid "SAP" and resid 167 and name HG ))
(( segid "SAP" and resid 165 and name HB1 ))
3.300 1.400 1.400 peak 1162 spectrum 1 weight 0.10000E+01 volume 0.83081E-03 ppm1 2.900 ppm2 1.607 CV 1
ASSI { 1165}
(( segid "SAP" and resid 151 and name HB2 ))
(( segid "SAP" and resid 151 and name HB1 ))
1.700 0.300 0.500 peak 1165 spectrum 1 weight 0.10000E+01 volume 0.27865E-01 ppm1 3.192 ppm2 3.034 CV 1
ASSI { 1170}
(( segid "SAP" and resid 153 and name HB2 ))
(( segid "SAP" and resid 157 and name HB ))
4.000 2.000 2.000 peak 1170 spectrum 1 weight 0.10000E+01 volume 0.12175E-02 ppm1 4.411 ppm2 1.196 CV 1
ASSI { 1171}
(( segid "SAP" and resid 175 and name HE1 ))
(( segid "SAP" and resid 155 and name HA ))
4.300 2.300 1.700 peak 1171 spectrum 1 weight 0.10000E+01 volume 0.18822E-03 ppm1 3.618 ppm2 2.719 CV 1
ASSI { 1172}
(( segid "SAP" and resid 175 and name HE2 ))
(( segid "SAP" and resid 155 and name HA ))
5.000 3.100 1.000 peak 1172 spectrum 1 weight 0.10000E+01 volume 0.21474E-03 ppm1 3.623 ppm2 2.518 CV 1
ASSI { 1174}
( segid "SAP" and resid 204 and name HG2%)
(( segid "SAP" and resid 201 and name HA ))
3.600 1.600 1.600 peak 1174 spectrum 1 weight 0.10000E+01 volume 0.86915E-03 ppm1 3.641 ppm2 -0.026 CV 1
ASSI { 1175}
(( segid "SAP" and resid 204 and name HB ))
(( segid "SAP" and resid 201 and name HA ))
3.200 1.300 1.300 peak 1175 spectrum 1 weight 0.10000E+01 volume 0.13933E-02 ppm1 3.640 ppm2 1.553 CV 1
ASSI { 1176}
(( segid "SAP" and resid 201 and name HB ))
(( segid "SAP" and resid 201 and name HA ))
3.000 1.100 1.100 peak 1176 spectrum 1 weight 0.10000E+01 volume 0.19972E-02 ppm1 3.637 ppm2 2.039 CV 1
ASSI { 1179}
(( segid "SAP" and resid 208 and name HG2 ))
(( segid "SAP" and resid 204 and name HA ))
4.300 2.300 1.700 peak 1179 spectrum 1 weight 0.10000E+01 volume 0.26491E-03 ppm1 3.569 ppm2 1.355 CV 1
ASSI { 1193}
(( segid "SAP" and resid 147 and name HB2 ))
(( segid "SAP" and resid 147 and name HB1 ))
1.500 0.300 0.700 peak 1193 spectrum 1 weight 0.10000E+01 volume 0.46335E-01 ppm1 1.951 ppm2 1.745 CV 1
ASSI { 1198}
(( segid "SAP" and resid 146 and name HB2 ))
(( segid "SAP" and resid 146 and name HA ))
2.800 1.000 1.000 peak 1198 spectrum 1 weight 0.10000E+01 volume 0.51767E-02 ppm1 4.272 ppm2 1.049 CV 1
ASSI { 1199}
(( segid "SAP" and resid 147 and name HB1 ))
(( segid "SAP" and resid 148 and name HA ))
4.200 2.200 1.800 peak 1199 spectrum 1 weight 0.10000E+01 volume 0.59436E-03 ppm1 3.900 ppm2 1.948 CV 1
ASSI { 1200}
(( segid "SAP" and resid 139 and name HB2 ))
(( segid "SAP" and resid 139 and name HB1 ))
1.600 0.300 0.600 peak 1200 spectrum 1 weight 0.10000E+01 volume 0.30581E-01 ppm1 2.257 ppm2 1.883 CV 1
ASSI { 1208}
(( segid "SAP" and resid 194 and name HA ))
(( segid "SAP" and resid 194 and name HB1 ))
1.900 0.400 0.400 peak 1208 spectrum 1 weight 0.10000E+01 volume 0.27865E-01 ppm1 1.879 ppm2 3.943 CV 1
OR { 1208}
(( segid "SAP" and resid 194 and name HA ))
(( segid "SAP" and resid 194 and name HB2 ))
ASSI { 1212}
(( segid "SAP" and resid 203 and name HB1 ))
(( segid "SAP" and resid 200 and name HA ))
3.900 1.900 1.900 peak 1212 spectrum 1 weight 0.10000E+01 volume 0.85958E-03 ppm1 4.976 ppm2 4.257 CV 1
ASSI { 1213}
(( segid "SAP" and resid 168 and name HD2 ))
(( segid "SAP" and resid 168 and name HB1 ))
4.300 2.300 1.700 peak 1213 spectrum 1 weight 0.10000E+01 volume 0.61034E-03 ppm1 2.172 ppm2 3.659 CV 1
ASSI { 1216}
(( segid "SAP" and resid 168 and name HB1 ))
(( segid "SAP" and resid 168 and name HB2 ))
1.700 0.300 0.500 peak 1216 spectrum 1 weight 0.10000E+01 volume 0.35470E-01 ppm1 1.938 ppm2 2.163 CV 1
ASSI { 1218}
(( segid "SAP" and resid 190 and name HB2 ))
(( segid "SAP" and resid 190 and name HB1 ))
1.800 0.400 0.400 peak 1218 spectrum 1 weight 0.10000E+01 volume 0.21378E-01 ppm1 2.122 ppm2 1.828 CV 1
ASSI { 1219}
(( segid "SAP" and resid 194 and name HG1 ))
(( segid "SAP" and resid 194 and name HB2 ))
2.200 0.600 0.600 peak 1219 spectrum 1 weight 0.10000E+01 volume 0.12175E-01 ppm1 1.881 ppm2 1.487 CV 1
OR { 1219}
(( segid "SAP" and resid 194 and name HG1 ))
(( segid "SAP" and resid 194 and name HB1 ))
ASSI { 1220}
(( segid "SAP" and resid 194 and name HG2 ))
(( segid "SAP" and resid 194 and name HB2 ))
2.100 0.600 0.600 peak 1220 spectrum 1 weight 0.10000E+01 volume 0.11824E-01 ppm1 1.882 ppm2 1.408 CV 1
OR { 1220}
(( segid "SAP" and resid 194 and name HG2 ))
(( segid "SAP" and resid 194 and name HB1 ))
ASSI { 1221}
(( segid "SAP" and resid 146 and name HD2 ))
(( segid "SAP" and resid 146 and name HB2 ))
3.300 1.400 1.400 peak 1221 spectrum 1 weight 0.10000E+01 volume 0.84680E-03 ppm1 1.042 ppm2 3.691 CV 1
ASSI { 1222}
(( segid "SAP" and resid 146 and name HD1 ))
(( segid "SAP" and resid 146 and name HB2 ))
4.100 2.100 1.900 peak 1222 spectrum 1 weight 0.10000E+01 volume 0.71260E-03 ppm1 1.044 ppm2 3.779 CV 1
ASSI { 1223}
(( segid "SAP" and resid 146 and name HD2 ))
(( segid "SAP" and resid 146 and name HB1 ))
4.000 2.000 2.000 peak 1223 spectrum 1 weight 0.10000E+01 volume 0.90749E-03 ppm1 1.748 ppm2 3.692 CV 1
ASSI { 1224}
(( segid "SAP" and resid 146 and name HD1 ))
(( segid "SAP" and resid 146 and name HB1 ))
4.100 2.100 1.900 peak 1224 spectrum 1 weight 0.10000E+01 volume 0.73177E-03 ppm1 1.750 ppm2 3.786 CV 1
ASSI { 1226}
(( segid "SAP" and resid 185 and name HB2 ))
(( segid "SAP" and resid 185 and name HB1 ))
2.300 0.700 0.700 peak 1226 spectrum 1 weight 0.10000E+01 volume 0.34511E-02 ppm1 3.330 ppm2 3.206 CV 1
ASSI { 1228}
( segid "SAP" and resid 167 and name HD2%)
(( segid "SAP" and resid 185 and name HB2 ))
3.900 1.900 1.900 peak 1228 spectrum 1 weight 0.10000E+01 volume 0.40583E-03 ppm1 3.210 ppm2 0.775 CV 1
ASSI { 1229}
( segid "SAP" and resid 167 and name HD1%)
(( segid "SAP" and resid 185 and name HB1 ))
4.400 2.400 1.600 peak 1229 spectrum 1 weight 0.10000E+01 volume 0.18151E-03 ppm1 3.329 ppm2 0.889 CV 1
ASSI { 1232}
( segid "SAP" and resid 189 and name HG2%)
(( segid "SAP" and resid 189 and name HA ))
2.700 0.900 0.900 peak 1232 spectrum 1 weight 0.10000E+01 volume 0.35790E-02 ppm1 3.740 ppm2 0.708 CV 1
OR { 1232}
( segid "SAP" and resid 189 and name HD1%)
(( segid "SAP" and resid 189 and name HA ))
ASSI { 1234}
(( segid "SAP" and resid 189 and name HG12))
(( segid "SAP" and resid 189 and name HA ))
3.200 1.300 1.300 peak 1234 spectrum 1 weight 0.10000E+01 volume 0.82125E-03 ppm1 3.742 ppm2 0.457 CV 1
ASSI { 1237}
(( segid "SAP" and resid 170 and name HB2 ))
(( segid "SAP" and resid 169 and name HA ))
4.400 2.400 1.600 peak 1237 spectrum 1 weight 0.10000E+01 volume 0.47294E-03 ppm1 4.493 ppm2 1.697 CV 1
ASSI { 1238}
(( segid "SAP" and resid 170 and name HB1 ))
(( segid "SAP" and resid 170 and name HB2 ))
1.700 0.400 0.500 peak 1238 spectrum 1 weight 0.10000E+01 volume 0.23646E-01 ppm1 1.689 ppm2 1.876 CV 1
ASSI { 1245}
(( segid "SAP" and resid 141 and name HB1 ))
(( segid "SAP" and resid 141 and name HB2 ))
1.400 0.200 0.800 peak 1245 spectrum 1 weight 0.10000E+01 volume 0.88836E-01 ppm1 1.936 ppm2 2.055 CV 1
ASSI { 1246}
(( segid "SAP" and resid 193 and name HA ))
(( segid "SAP" and resid 193 and name HB1 ))
2.900 1.100 1.100 peak 1246 spectrum 1 weight 0.10000E+01 volume 0.19141E-02 ppm1 2.037 ppm2 3.520 CV 1
OR { 1246}
(( segid "SAP" and resid 193 and name HA ))
(( segid "SAP" and resid 193 and name HB2 ))
ASSI { 1247}
(( segid "SAP" and resid 159 and name HA ))
(( segid "SAP" and resid 159 and name HB1 ))
2.500 0.800 0.800 peak 1247 spectrum 1 weight 0.10000E+01 volume 0.52726E-02 ppm1 1.884 ppm2 3.958 CV 1
OR { 1247}
(( segid "SAP" and resid 159 and name HA ))
(( segid "SAP" and resid 159 and name HB2 ))
ASSI { 1249}
(( segid "SAP" and resid 152 and name HA ))
(( segid "SAP" and resid 152 and name HB2 ))
2.600 0.800 0.800 peak 1249 spectrum 1 weight 0.10000E+01 volume 0.71580E-02 ppm1 1.953 ppm2 4.084 CV 1
ASSI { 1251}
(( segid "SAP" and resid 159 and name HD1 ))
(( segid "SAP" and resid 159 and name HG1 ))
2.600 0.900 0.900 peak 1251 spectrum 1 weight 0.10000E+01 volume 0.33553E-02 ppm1 1.870 ppm2 3.184 CV 1
OR { 1251}
(( segid "SAP" and resid 159 and name HD2 ))
(( segid "SAP" and resid 159 and name HG1 ))
ASSI { 1252}
(( segid "SAP" and resid 159 and name HD1 ))
(( segid "SAP" and resid 159 and name HG2 ))
2.700 0.900 0.900 peak 1252 spectrum 1 weight 0.10000E+01 volume 0.35151E-02 ppm1 1.563 ppm2 3.184 CV 1
OR { 1252}
(( segid "SAP" and resid 159 and name HD2 ))
(( segid "SAP" and resid 159 and name HG2 ))
ASSI { 1255}
( segid "SAP" and resid 155 and name HG2%)
(( segid "SAP" and resid 175 and name HD1 ))
2.900 1.100 1.100 peak 1255 spectrum 1 weight 0.10000E+01 volume 0.22656E-02 ppm1 1.562 ppm2 0.966 CV 1
OR { 1255}
( segid "SAP" and resid 155 and name HG2%)
(( segid "SAP" and resid 175 and name HD2 ))
ASSI { 1256}
( segid "SAP" and resid 158 and name HD1%)
(( segid "SAP" and resid 175 and name HD2 ))
3.400 1.500 1.500 peak 1256 spectrum 1 weight 0.10000E+01 volume 0.70621E-03 ppm1 1.555 ppm2 0.675 CV 1
OR { 1256}
( segid "SAP" and resid 158 and name HD1%)
(( segid "SAP" and resid 175 and name HD1 ))
ASSI { 1258}
(( segid "SAP" and resid 207 and name HA ))
(( segid "SAP" and resid 208 and name HD2 ))
3.800 1.800 1.800 peak 1258 spectrum 1 weight 0.10000E+01 volume 0.92034E-03 ppm1 1.629 ppm2 4.452 CV 1
OR { 1258}
(( segid "SAP" and resid 207 and name HA ))
(( segid "SAP" and resid 208 and name HD1 ))
ASSI { 1259}
(( segid "SAP" and resid 166 and name HA ))
(( segid "SAP" and resid 166 and name HD1 ))
2.600 0.800 0.800 peak 1259 spectrum 1 weight 0.10000E+01 volume 0.31827E-02 ppm1 1.681 ppm2 3.856 CV 1
ASSI { 1260}
(( segid "SAP" and resid 194 and name HA ))
(( segid "SAP" and resid 194 and name HD1 ))
2.800 1.000 1.000 peak 1260 spectrum 1 weight 0.10000E+01 volume 0.24925E-02 ppm1 1.674 ppm2 3.943 CV 1
OR { 1260}
(( segid "SAP" and resid 194 and name HA ))
(( segid "SAP" and resid 194 and name HD2 ))
ASSI { 1261}
(( segid "SAP" and resid 159 and name HA ))
(( segid "SAP" and resid 159 and name HG2 ))
2.900 1.000 1.000 peak 1261 spectrum 1 weight 0.10000E+01 volume 0.21889E-02 ppm1 1.586 ppm2 3.933 CV 1
ASSI { 1262}
(( segid "SAP" and resid 166 and name HA ))
(( segid "SAP" and resid 166 and name HD2 ))
3.000 1.100 1.100 peak 1262 spectrum 1 weight 0.10000E+01 volume 0.20164E-02 ppm1 1.589 ppm2 3.845 CV 1
ASSI { 1263}
(( segid "SAP" and resid 159 and name HA ))
(( segid "SAP" and resid 159 and name HG1 ))
3.000 1.200 1.200 peak 1263 spectrum 1 weight 0.10000E+01 volume 0.21474E-02 ppm1 1.871 ppm2 3.955 CV 1
ASSI { 1265}
(( segid "SAP" and resid 184 and name HA ))
(( segid "SAP" and resid 187 and name HD2 ))
3.600 1.600 1.600 peak 1265 spectrum 1 weight 0.10000E+01 volume 0.79569E-03 ppm1 1.740 ppm2 4.141 CV 1
OR { 1265}
(( segid "SAP" and resid 184 and name HA ))
(( segid "SAP" and resid 187 and name HD1 ))
ASSI { 1270}
(( segid "SAP" and resid 181 and name HG11))
(( segid "SAP" and resid 181 and name HG12))
1.800 0.400 0.400 peak 1270 spectrum 1 weight 0.10000E+01 volume 0.15946E-01 ppm1 1.304 ppm2 1.741 CV 1
ASSI { 1271}
(( segid "SAP" and resid 197 and name HG ))
(( segid "SAP" and resid 197 and name HA ))
3.600 1.600 1.600 peak 1271 spectrum 1 weight 0.10000E+01 volume 0.72219E-03 ppm1 3.829 ppm2 1.444 CV 1
ASSI { 1274}
( segid "SAP" and resid 176 and name HB% )
(( segid "SAP" and resid 177 and name HA ))
3.500 1.600 1.600 peak 1274 spectrum 1 weight 0.10000E+01 volume 0.10514E-02 ppm1 4.088 ppm2 1.510 CV 1
ASSI { 1275}
(( segid "SAP" and resid 158 and name HB1 ))
(( segid "SAP" and resid 158 and name HA ))
2.900 1.000 1.000 peak 1275 spectrum 1 weight 0.10000E+01 volume 0.12335E-02 ppm1 3.916 ppm2 2.055 CV 1
ASSI { 1276}
(( segid "SAP" and resid 181 and name HB ))
(( segid "SAP" and resid 178 and name HA ))
2.600 0.800 0.800 peak 1276 spectrum 1 weight 0.10000E+01 volume 0.34192E-02 ppm1 4.046 ppm2 1.927 CV 1
ASSI { 1279}
(( segid "SAP" and resid 160 and name HG2 ))
(( segid "SAP" and resid 160 and name HA ))
2.900 1.100 1.100 peak 1279 spectrum 1 weight 0.10000E+01 volume 0.38985E-02 ppm1 4.001 ppm2 1.569 CV 1
ASSI { 1283}
(( segid "SAP" and resid 160 and name HB1 ))
(( segid "SAP" and resid 160 and name HG1 ))
3.200 1.300 1.300 peak 1283 spectrum 1 weight 0.10000E+01 volume 0.21634E-02 ppm1 1.875 ppm2 2.212 CV 1
ASSI { 1284}
(( segid "SAP" and resid 160 and name HB2 ))
(( segid "SAP" and resid 160 and name HG2 ))
3.200 1.300 1.300 peak 1284 spectrum 1 weight 0.10000E+01 volume 0.22368E-02 ppm1 1.550 ppm2 2.108 CV 1
ASSI { 1287}
(( segid "SAP" and resid 166 and name HD2 ))
(( segid "SAP" and resid 166 and name HB1 ))
2.800 1.000 1.000 peak 1287 spectrum 1 weight 0.10000E+01 volume 0.20132E-02 ppm1 2.017 ppm2 1.571 CV 1
ASSI { 1290}
(( segid "SAP" and resid 163 and name HD1 ))
(( segid "SAP" and resid 163 and name HG1 ))
2.400 0.700 0.700 peak 1290 spectrum 1 weight 0.10000E+01 volume 0.74455E-02 ppm1 1.839 ppm2 3.226 CV 1
ASSI { 1292}
(( segid "SAP" and resid 168 and name HD1 ))
(( segid "SAP" and resid 168 and name HG1 ))
2.400 0.700 0.700 peak 1292 spectrum 1 weight 0.10000E+01 volume 0.41861E-02 ppm1 2.130 ppm2 4.023 CV 1
ASSI { 1294}
(( segid "SAP" and resid 145 and name HA ))
(( segid "SAP" and resid 146 and name HG1 ))
3.800 1.800 1.800 peak 1294 spectrum 1 weight 0.10000E+01 volume 0.18470E-02 ppm1 1.857 ppm2 4.577 CV 1
OR { 1294}
(( segid "SAP" and resid 145 and name HA ))
(( segid "SAP" and resid 146 and name HG2 ))
ASSI { 1300}
(( segid "SAP" and resid 146 and name HA ))
(( segid "SAP" and resid 146 and name HG1 ))
3.000 1.100 1.100 peak 1300 spectrum 1 weight 0.10000E+01 volume 0.29239E-02 ppm1 1.857 ppm2 4.275 CV 1
OR { 1300}
(( segid "SAP" and resid 146 and name HA ))
(( segid "SAP" and resid 146 and name HG2 ))
ASSI { 1302}
(( segid "SAP" and resid 146 and name HB2 ))
(( segid "SAP" and resid 146 and name HG1 ))
2.200 0.600 0.600 peak 1302 spectrum 1 weight 0.10000E+01 volume 0.10130E-01 ppm1 1.855 ppm2 1.034 CV 1
OR { 1302}
(( segid "SAP" and resid 146 and name HB2 ))
(( segid "SAP" and resid 146 and name HG2 ))
ASSI { 1306}
(( segid "SAP" and resid 175 and name HE1 ))
( segid "SAP" and resid 158 and name HD1%)
2.700 0.900 0.900 peak 1306 spectrum 1 weight 0.10000E+01 volume 0.22720E-02 ppm1 0.684 ppm2 2.714 CV 1
ASSI { 1308}
(( segid "SAP" and resid 158 and name HB1 ))
( segid "SAP" and resid 158 and name HD1%)
2.700 0.900 0.900 peak 1308 spectrum 1 weight 0.10000E+01 volume 0.34192E-02 ppm1 0.682 ppm2 2.080 CV 1
ASSI { 1309}
( segid "SAP" and resid 158 and name HD1%)
(( segid "SAP" and resid 158 and name HG ))
2.100 0.600 0.600 peak 1309 spectrum 1 weight 0.10000E+01 volume 0.94269E-02 ppm1 1.552 ppm2 0.666 CV 1
OR { 1309}
( segid "SAP" and resid 158 and name HD2%)
(( segid "SAP" and resid 158 and name HG ))
ASSI { 1311}
(( segid "SAP" and resid 158 and name HA ))
( segid "SAP" and resid 158 and name HD1%)
4.000 2.000 2.000 peak 1311 spectrum 1 weight 0.10000E+01 volume 0.10737E-02 ppm1 0.685 ppm2 3.915 CV 1
ASSI { 1312}
(( segid "SAP" and resid 175 and name HA ))
( segid "SAP" and resid 158 and name HD1%)
3.400 1.500 1.500 peak 1312 spectrum 1 weight 0.10000E+01 volume 0.12207E-02 ppm1 0.684 ppm2 3.745 CV 1
ASSI { 1314}
(( segid "SAP" and resid 179 and name HA ))
( segid "SAP" and resid 158 and name HD1%)
3.800 1.800 1.800 peak 1314 spectrum 1 weight 0.10000E+01 volume 0.44098E-03 ppm1 0.680 ppm2 3.178 CV 1
ASSI { 1318}
(( segid "SAP" and resid 178 and name HB1 ))
( segid "SAP" and resid 158 and name HD1%)
3.400 1.400 1.400 peak 1318 spectrum 1 weight 0.10000E+01 volume 0.95547E-03 ppm1 0.680 ppm2 1.804 CV 1
ASSI { 1322}
(( segid "SAP" and resid 158 and name HG ))
( segid "SAP" and resid 158 and name HD2%)
2.200 0.600 0.600 peak 1322 spectrum 1 weight 0.10000E+01 volume 0.90435E-02 ppm1 0.644 ppm2 1.560 CV 1
ASSI { 1324}
(( segid "SAP" and resid 153 and name HB1 ))
( segid "SAP" and resid 158 and name HD2%)
2.800 1.000 1.000 peak 1324 spectrum 1 weight 0.10000E+01 volume 0.52726E-02 ppm1 0.644 ppm2 1.867 CV 1
ASSI { 1325}
(( segid "SAP" and resid 158 and name HB1 ))
( segid "SAP" and resid 158 and name HD2%)
2.300 0.700 0.700 peak 1325 spectrum 1 weight 0.10000E+01 volume 0.47933E-02 ppm1 0.645 ppm2 2.064 CV 1
ASSI { 1335}
(( segid "SAP" and resid 184 and name HB2 ))
(( segid "SAP" and resid 184 and name HB1 ))
1.700 0.300 0.500 peak 1335 spectrum 1 weight 0.10000E+01 volume 0.29494E-01 ppm1 3.080 ppm2 2.973 CV 1
ASSI { 1336}
( segid "SAP" and resid 148 and name HG1%)
( segid "SAP" and resid 150 and name HD1%)
3.200 1.300 1.300 peak 1336 spectrum 1 weight 0.10000E+01 volume 0.16329E-02 ppm1 0.446 ppm2 0.971 CV 1
ASSI { 1340}
(( segid "SAP" and resid 162 and name HA ))
( segid "SAP" and resid 167 and name HD1%)
2.400 0.700 0.700 peak 1340 spectrum 1 weight 0.10000E+01 volume 0.46016E-02 ppm1 0.868 ppm2 3.950 CV 1
ASSI { 1341}
(( segid "SAP" and resid 185 and name HB2 ))
( segid "SAP" and resid 167 and name HD1%)
3.100 1.200 1.200 peak 1341 spectrum 1 weight 0.10000E+01 volume 0.14572E-02 ppm1 0.864 ppm2 3.199 CV 1
ASSI { 1342}
(( segid "SAP" and resid 161 and name HB1 ))
( segid "SAP" and resid 167 and name HD1%)
4.400 2.400 1.600 peak 1342 spectrum 1 weight 0.10000E+01 volume 0.50808E-03 ppm1 0.865 ppm2 2.657 CV 1
OR { 1342}
(( segid "SAP" and resid 161 and name HB2 ))
( segid "SAP" and resid 167 and name HD1%)
ASSI { 1343}
(( segid "SAP" and resid 162 and name HB2 ))
( segid "SAP" and resid 167 and name HD1%)
3.500 1.500 1.500 peak 1343 spectrum 1 weight 0.10000E+01 volume 0.14188E-02 ppm1 0.872 ppm2 2.115 CV 1
OR { 1343}
(( segid "SAP" and resid 162 and name HB1 ))
( segid "SAP" and resid 167 and name HD1%)
ASSI { 1345}
(( segid "SAP" and resid 167 and name HG ))
( segid "SAP" and resid 167 and name HD1%)
2.200 0.600 0.600 peak 1345 spectrum 1 weight 0.10000E+01 volume 0.10354E-01 ppm1 0.870 ppm2 1.602 CV 1
OR { 1345}
(( segid "SAP" and resid 167 and name HB1 ))
( segid "SAP" and resid 167 and name HD1%)
ASSI { 1346}
(( segid "SAP" and resid 162 and name HG1 ))
( segid "SAP" and resid 167 and name HD1%)
3.000 1.100 1.100 peak 1346 spectrum 1 weight 0.10000E+01 volume 0.44737E-02 ppm1 0.871 ppm2 1.706 CV 1
OR { 1346}
(( segid "SAP" and resid 162 and name HD1 ))
( segid "SAP" and resid 167 and name HD1%)
ASSI { 1347}
( segid "SAP" and resid 182 and name HG2%)
( segid "SAP" and resid 167 and name HD1%)
3.900 1.900 1.900 peak 1347 spectrum 1 weight 0.10000E+01 volume 0.48252E-03 ppm1 0.861 ppm2 -0.207 CV 1
ASSI { 1348}
( segid "SAP" and resid 165 and name HD% )
( segid "SAP" and resid 167 and name HD1%)
3.900 1.900 1.900 peak 1348 spectrum 1 weight 0.10000E+01 volume 0.77648E-03 ppm1 0.870 ppm2 -1.039 CV 1
ASSI { 1350}
(( segid "SAP" and resid 159 and name HA ))
( segid "SAP" and resid 178 and name HD2%)
2.500 0.800 0.800 peak 1350 spectrum 1 weight 0.10000E+01 volume 0.46016E-02 ppm1 0.794 ppm2 3.944 CV 1
ASSI { 1351}
(( segid "SAP" and resid 175 and name HA ))
( segid "SAP" and resid 178 and name HD2%)
3.900 1.900 1.900 peak 1351 spectrum 1 weight 0.10000E+01 volume 0.14635E-02 ppm1 0.793 ppm2 3.759 CV 1
ASSI { 1352}
(( segid "SAP" and resid 155 and name HA ))
( segid "SAP" and resid 178 and name HD2%)
4.000 2.000 2.000 peak 1352 spectrum 1 weight 0.10000E+01 volume 0.98738E-03 ppm1 0.791 ppm2 3.625 CV 1
ASSI { 1357}
(( segid "SAP" and resid 158 and name HB2 ))
( segid "SAP" and resid 178 and name HD2%)
2.800 1.000 1.000 peak 1357 spectrum 1 weight 0.10000E+01 volume 0.44737E-02 ppm1 0.794 ppm2 1.201 CV 1
ASSI { 1369}
(( segid "SAP" and resid 162 and name HB2 ))
(( segid "SAP" and resid 162 and name HG2 ))
2.800 1.000 1.000 peak 1369 spectrum 1 weight 0.10000E+01 volume 0.24829E-02 ppm1 1.485 ppm2 2.126 CV 1
OR { 1369}
(( segid "SAP" and resid 162 and name HB1 ))
(( segid "SAP" and resid 162 and name HG2 ))
ASSI { 1373}
(( segid "SAP" and resid 166 and name HD2 ))
(( segid "SAP" and resid 166 and name HG2 ))
2.300 0.700 0.700 peak 1373 spectrum 1 weight 0.10000E+01 volume 0.85323E-02 ppm1 1.261 ppm2 1.595 CV 1
OR { 1373}
(( segid "SAP" and resid 166 and name HD2 ))
(( segid "SAP" and resid 166 and name HG1 ))
ASSI { 1374}
(( segid "SAP" and resid 166 and name HD1 ))
(( segid "SAP" and resid 166 and name HG1 ))
2.500 0.800 0.800 peak 1374 spectrum 1 weight 0.10000E+01 volume 0.54963E-02 ppm1 1.262 ppm2 1.675 CV 1
OR { 1374}
(( segid "SAP" and resid 166 and name HD1 ))
(( segid "SAP" and resid 166 and name HG2 ))
ASSI { 1375}
(( segid "SAP" and resid 166 and name HB2 ))
(( segid "SAP" and resid 166 and name HG2 ))
2.500 0.800 0.800 peak 1375 spectrum 1 weight 0.10000E+01 volume 0.47613E-02 ppm1 1.264 ppm2 1.797 CV 1
OR { 1375}
(( segid "SAP" and resid 166 and name HB2 ))
(( segid "SAP" and resid 166 and name HG1 ))
ASSI { 1379}
(( segid "SAP" and resid 183 and name HA2 ))
( segid "SAP" and resid 179 and name HG1%)
2.600 2.600 3.400 peak 1379 spectrum 1 weight 0.10000E+01 volume 0.25276E-02 ppm1 0.593 ppm2 3.570 CV 1
ASSI { 1380}
(( segid "SAP" and resid 194 and name HA ))
( segid "SAP" and resid 197 and name HD1%)
2.700 0.900 0.900 peak 1380 spectrum 1 weight 0.10000E+01 volume 0.38346E-02 ppm1 0.593 ppm2 3.931 CV 1
ASSI { 1382}
(( segid "SAP" and resid 151 and name HB2 ))
( segid "SAP" and resid 179 and name HG1%)
2.900 1.000 1.000 peak 1382 spectrum 1 weight 0.10000E+01 volume 0.18949E-02 ppm1 0.588 ppm2 3.043 CV 1
ASSI { 1383}
(( segid "SAP" and resid 180 and name HG1 ))
( segid "SAP" and resid 179 and name HG1%)
3.100 3.100 2.900 peak 1383 spectrum 1 weight 0.10000E+01 volume 0.93312E-03 ppm1 0.588 ppm2 2.383 CV 1
ASSI { 1384}
(( segid "SAP" and resid 193 and name HG1 ))
( segid "SAP" and resid 197 and name HD1%)
3.000 1.100 1.100 peak 1384 spectrum 1 weight 0.10000E+01 volume 0.25884E-02 ppm1 0.593 ppm2 2.201 CV 1
ASSI { 1385}
(( segid "SAP" and resid 193 and name HG2 ))
( segid "SAP" and resid 197 and name HD1%)
2.600 0.800 0.800 peak 1385 spectrum 1 weight 0.10000E+01 volume 0.37707E-02 ppm1 0.594 ppm2 2.087 CV 1
ASSI { 1387}
(( segid "SAP" and resid 197 and name HB2 ))
( segid "SAP" and resid 197 and name HD1%)
2.300 0.700 0.700 peak 1387 spectrum 1 weight 0.10000E+01 volume 0.86915E-02 ppm1 0.590 ppm2 1.172 CV 1
ASSI { 1390}
( segid "SAP" and resid 153 and name HD1%)
( segid "SAP" and resid 179 and name HG1%)
3.300 1.300 1.300 peak 1390 spectrum 1 weight 0.10000E+01 volume 0.38027E-02 ppm1 0.592 ppm2 0.919 CV 1
ASSI { 1392}
(( segid "SAP" and resid 153 and name HB1 ))
(( segid "SAP" and resid 153 and name HA ))
2.600 0.800 0.800 peak 1392 spectrum 1 weight 0.10000E+01 volume 0.31508E-02 ppm1 4.439 ppm2 1.894 CV 1
ASSI { 1395}
(( segid "SAP" and resid 177 and name HB1 ))
( segid "SAP" and resid 178 and name HD1%)
5.000 3.100 1.000 peak 1395 spectrum 1 weight 0.10000E+01 volume 0.32274E-03 ppm1 0.815 ppm2 2.292 CV 1
ASSI { 1396}
(( segid "SAP" and resid 159 and name HB1 ))
( segid "SAP" and resid 178 and name HD1%)
2.800 1.000 1.000 peak 1396 spectrum 1 weight 0.10000E+01 volume 0.41541E-02 ppm1 0.815 ppm2 1.928 CV 1
OR { 1396}
(( segid "SAP" and resid 159 and name HB2 ))
( segid "SAP" and resid 178 and name HD1%)
ASSI { 1397}
(( segid "SAP" and resid 178 and name HB1 ))
( segid "SAP" and resid 178 and name HD1%)
2.300 0.700 0.700 peak 1397 spectrum 1 weight 0.10000E+01 volume 0.89157E-02 ppm1 0.816 ppm2 1.781 CV 1
ASSI { 1398}
(( segid "SAP" and resid 178 and name HG ))
( segid "SAP" and resid 178 and name HD1%)
2.000 0.500 0.500 peak 1398 spectrum 1 weight 0.10000E+01 volume 0.15626E-01 ppm1 0.816 ppm2 1.550 CV 1
OR { 1398}
(( segid "SAP" and resid 178 and name HB2 ))
( segid "SAP" and resid 178 and name HD1%)
ASSI { 1399}
(( segid "SAP" and resid 158 and name HB2 ))
( segid "SAP" and resid 178 and name HD1%)
2.500 0.800 0.800 peak 1399 spectrum 1 weight 0.10000E+01 volume 0.32274E-02 ppm1 0.815 ppm2 1.206 CV 1
ASSI { 1402}
(( segid "SAP" and resid 158 and name HA ))
( segid "SAP" and resid 157 and name HG2%)
3.200 1.200 1.200 peak 1402 spectrum 1 weight 0.10000E+01 volume 0.12782E-02 ppm1 1.444 ppm2 3.927 CV 1
ASSI { 1404}
(( segid "SAP" and resid 153 and name HB2 ))
( segid "SAP" and resid 157 and name HG2%)
3.400 1.400 1.400 peak 1404 spectrum 1 weight 0.10000E+01 volume 0.32594E-02 ppm1 1.444 ppm2 1.211 CV 1
ASSI { 1407}
( segid "SAP" and resid 153 and name HD1%)
( segid "SAP" and resid 158 and name HD2%)
2.500 0.800 0.800 peak 1407 spectrum 1 weight 0.10000E+01 volume 0.40263E-02 ppm1 0.649 ppm2 0.893 CV 1
ASSI { 1408}
( segid "SAP" and resid 150 and name HD2%)
( segid "SAP" and resid 158 and name HD2%)
3.300 1.300 1.300 peak 1408 spectrum 1 weight 0.10000E+01 volume 0.19301E-02 ppm1 0.649 ppm2 0.198 CV 1
ASSI { 1411}
(( segid "SAP" and resid 169 and name HB ))
( segid "SAP" and resid 173 and name HD2%)
3.000 1.100 1.100 peak 1411 spectrum 1 weight 0.10000E+01 volume 0.17831E-02 ppm1 0.725 ppm2 4.161 CV 1
ASSI { 1413}
(( segid "SAP" and resid 177 and name HB2 ))
( segid "SAP" and resid 173 and name HD2%)
2.600 0.900 0.900 peak 1413 spectrum 1 weight 0.10000E+01 volume 0.59436E-02 ppm1 0.723 ppm2 1.970 CV 1
ASSI { 1414}
(( segid "SAP" and resid 173 and name HB2 ))
( segid "SAP" and resid 173 and name HD2%)
2.900 1.000 1.000 peak 1414 spectrum 1 weight 0.10000E+01 volume 0.63591E-02 ppm1 0.724 ppm2 1.483 CV 1
ASSI { 1415}
(( segid "SAP" and resid 154 and name HA ))
( segid "SAP" and resid 155 and name HG1%)
3.900 1.900 1.900 peak 1415 spectrum 1 weight 0.10000E+01 volume 0.94590E-03 ppm1 1.042 ppm2 4.239 CV 1
ASSI { 1423}
(( segid "SAP" and resid 182 and name HA ))
( segid "SAP" and resid 158 and name HD2%)
4.300 2.400 1.700 peak 1423 spectrum 1 weight 0.10000E+01 volume 0.91070E-03 ppm1 0.664 ppm2 3.305 CV 1
ASSI { 1427}
(( segid "SAP" and resid 200 and name HB2 ))
( segid "SAP" and resid 197 and name HD2%)
4.900 3.000 1.100 peak 1427 spectrum 1 weight 0.10000E+01 volume 0.28887E-03 ppm1 -0.045 ppm2 3.256 CV 1
ASSI { 1428}
(( segid "SAP" and resid 193 and name HG2 ))
( segid "SAP" and resid 197 and name HD2%)
4.100 2.100 1.900 peak 1428 spectrum 1 weight 0.10000E+01 volume 0.92991E-03 ppm1 -0.049 ppm2 2.082 CV 1
ASSI { 1429}
(( segid "SAP" and resid 197 and name HB2 ))
( segid "SAP" and resid 197 and name HD2%)
3.200 1.300 1.300 peak 1429 spectrum 1 weight 0.10000E+01 volume 0.36429E-02 ppm1 -0.047 ppm2 1.146 CV 1
ASSI { 1430}
(( segid "SAP" and resid 150 and name HB2 ))
( segid "SAP" and resid 150 and name HD2%)
2.900 1.000 1.000 peak 1430 spectrum 1 weight 0.10000E+01 volume 0.58477E-02 ppm1 0.198 ppm2 1.089 CV 1
ASSI { 1432}
( segid "SAP" and resid 150 and name HD2%)
( segid "SAP" and resid 153 and name HD1%)
3.700 1.700 1.700 peak 1432 spectrum 1 weight 0.10000E+01 volume 0.39624E-03 ppm1 0.889 ppm2 0.210 CV 1
ASSI { 1434}
(( segid "SAP" and resid 149 and name HA ))
( segid "SAP" and resid 148 and name HG2%)
4.000 2.000 2.000 peak 1434 spectrum 1 weight 0.10000E+01 volume 0.48252E-03 ppm1 0.667 ppm2 4.868 CV 1
ASSI { 1436}
( segid "SAP" and resid 150 and name HD1%)
( segid "SAP" and resid 148 and name HG2%)
2.700 0.900 0.900 peak 1436 spectrum 1 weight 0.10000E+01 volume 0.78926E-02 ppm1 0.666 ppm2 0.448 CV 1
ASSI { 1437}
(( segid "SAP" and resid 194 and name HE1 ))
( segid "SAP" and resid 198 and name HG2%)
3.800 1.800 1.800 peak 1437 spectrum 1 weight 0.10000E+01 volume 0.61673E-03 ppm1 1.248 ppm2 2.966 CV 1
OR { 1437}
(( segid "SAP" and resid 194 and name HE2 ))
( segid "SAP" and resid 198 and name HG2%)
ASSI { 1445}
(( segid "SAP" and resid 173 and name HA ))
( segid "SAP" and resid 169 and name HG2%)
4.100 2.100 1.900 peak 1445 spectrum 1 weight 0.10000E+01 volume 0.14028E-02 ppm1 1.067 ppm2 4.275 CV 1
ASSI { 1447}
(( segid "SAP" and resid 191 and name HB ))
( segid "SAP" and resid 191 and name HG1%)
2.100 0.600 0.600 peak 1447 spectrum 1 weight 0.10000E+01 volume 0.12526E-01 ppm1 0.736 ppm2 1.790 CV 1
ASSI { 1448}
( segid "SAP" and resid 182 and name HG2%)
( segid "SAP" and resid 179 and name HG2%)
3.700 1.700 1.700 peak 1448 spectrum 1 weight 0.10000E+01 volume 0.30869E-03 ppm1 0.481 ppm2 -0.195 CV 1
ASSI { 1449}
( segid "SAP" and resid 150 and name HD2%)
( segid "SAP" and resid 179 and name HG2%)
3.400 3.400 2.600 peak 1449 spectrum 1 weight 0.10000E+01 volume 0.20866E-02 ppm1 0.481 ppm2 0.199 CV 1
ASSI { 1452}
(( segid "SAP" and resid 203 and name HB1 ))
( segid "SAP" and resid 204 and name HG2%)
4.600 2.700 1.400 peak 1452 spectrum 1 weight 0.10000E+01 volume 0.26171E-03 ppm1 -0.032 ppm2 4.276 CV 1
ASSI { 1453}
(( segid "SAP" and resid 177 and name HG1 ))
(( segid "SAP" and resid 174 and name HA ))
4.500 2.600 1.500 peak 1453 spectrum 1 weight 0.10000E+01 volume 0.36429E-03 ppm1 4.751 ppm2 2.626 CV 1
ASSI { 1454}
(( segid "SAP" and resid 190 and name HD1 ))
(( segid "SAP" and resid 190 and name HD2 ))
2.000 0.500 0.500 peak 1454 spectrum 1 weight 0.10000E+01 volume 0.82125E-02 ppm1 3.549 ppm2 4.046 CV 1
ASSI { 1456}
(( segid "SAP" and resid 146 and name HA ))
(( segid "SAP" and resid 146 and name HD1 ))
3.700 1.700 1.700 peak 1456 spectrum 1 weight 0.10000E+01 volume 0.62632E-03 ppm1 3.775 ppm2 4.259 CV 1
ASSI { 1457}
(( segid "SAP" and resid 146 and name HA ))
(( segid "SAP" and resid 146 and name HD2 ))
3.600 1.600 1.600 peak 1457 spectrum 1 weight 0.10000E+01 volume 0.89471E-03 ppm1 3.678 ppm2 4.263 CV 1
ASSI { 1458}
(( segid "SAP" and resid 140 and name HA ))
( segid "SAP" and resid 140 and name HG2%)
3.000 1.200 1.200 peak 1458 spectrum 1 weight 0.10000E+01 volume 0.22017E-02 ppm1 0.932 ppm2 4.047 CV 1
ASSI { 1459}
(( segid "SAP" and resid 218 and name HA2 ))
( segid "SAP" and resid 219 and name HG2%)
5.200 3.300 0.800 peak 1459 spectrum 1 weight 0.10000E+01 volume 0.14699E-03 ppm1 0.831 ppm2 3.945 CV 1
OR { 1459}
(( segid "SAP" and resid 218 and name HA1 ))
( segid "SAP" and resid 219 and name HG2%)
ASSI { 1460}
(( segid "SAP" and resid 179 and name HA ))
( segid "SAP" and resid 182 and name HG2%)
3.500 1.500 1.500 peak 1460 spectrum 1 weight 0.10000E+01 volume 0.10800E-02 ppm1 -0.193 ppm2 3.179 CV 1
ASSI { 1462}
(( segid "SAP" and resid 158 and name HB1 ))
( segid "SAP" and resid 182 and name HG2%)
3.400 1.400 1.400 peak 1462 spectrum 1 weight 0.10000E+01 volume 0.46974E-03 ppm1 -0.192 ppm2 2.093 CV 1
ASSI { 1463}
(( segid "SAP" and resid 177 and name HG1 ))
( segid "SAP" and resid 176 and name HB% )
3.800 1.800 1.800 peak 1463 spectrum 1 weight 0.10000E+01 volume 0.12974E-02 ppm1 1.508 ppm2 2.652 CV 1
ASSI { 1465}
(( segid "SAP" and resid 179 and name HB ))
( segid "SAP" and resid 176 and name HB% )
3.200 1.300 1.300 peak 1465 spectrum 1 weight 0.10000E+01 volume 0.26331E-02 ppm1 1.511 ppm2 1.923 CV 1
ASSI { 1466}
(( segid "SAP" and resid 180 and name HB1 ))
( segid "SAP" and resid 176 and name HB% )
3.800 1.800 1.800 peak 1466 spectrum 1 weight 0.10000E+01 volume 0.71260E-03 ppm1 1.511 ppm2 2.152 CV 1
OR { 1466}
(( segid "SAP" and resid 180 and name HB2 ))
( segid "SAP" and resid 176 and name HB% )
ASSI { 1469}
(( segid "SAP" and resid 143 and name HG12))
( segid "SAP" and resid 143 and name HG2%)
2.600 0.800 0.800 peak 1469 spectrum 1 weight 0.10000E+01 volume 0.38985E-02 ppm1 0.893 ppm2 1.147 CV 1
ASSI { 1470}
(( segid "SAP" and resid 143 and name HG12))
( segid "SAP" and resid 143 and name HD1%)
2.200 0.600 0.600 peak 1470 spectrum 1 weight 0.10000E+01 volume 0.11057E-01 ppm1 0.850 ppm2 1.141 CV 1
ASSI { 1473}
(( segid "SAP" and resid 190 and name HD2 ))
(( segid "SAP" and resid 189 and name HA ))
2.600 0.800 0.800 peak 1473 spectrum 1 weight 0.10000E+01 volume 0.39624E-02 ppm1 3.741 ppm2 3.556 CV 1
ASSI { 1474}
(( segid "SAP" and resid 189 and name HA ))
(( segid "SAP" and resid 190 and name HD1 ))
2.400 0.700 0.700 peak 1474 spectrum 1 weight 0.10000E+01 volume 0.47613E-02 ppm1 4.041 ppm2 3.741 CV 1
ASSI { 1478}
(( segid "SAP" and resid 171 and name HD1 ))
(( segid "SAP" and resid 171 and name HD2 ))
1.700 0.400 0.500 peak 1478 spectrum 1 weight 0.10000E+01 volume 0.23359E-01 ppm1 3.608 ppm2 3.778 CV 1
ASSI { 1481}
(( segid "SAP" and resid 159 and name HG2 ))
(( segid "SAP" and resid 159 and name HG1 ))
1.700 0.300 0.500 peak 1481 spectrum 1 weight 0.10000E+01 volume 0.26523E-01 ppm1 1.869 ppm2 1.565 CV 1
ASSI { 1483}
(( segid "SAP" and resid 189 and name HG11))
(( segid "SAP" and resid 189 and name HB ))
3.000 1.100 1.100 peak 1483 spectrum 1 weight 0.10000E+01 volume 0.12111E-02 ppm1 1.235 ppm2 1.501 CV 1
ASSI { 1486}
(( segid "SAP" and resid 190 and name HB1 ))
(( segid "SAP" and resid 190 and name HD2 ))
3.300 1.400 1.400 peak 1486 spectrum 1 weight 0.10000E+01 volume 0.26651E-02 ppm1 3.550 ppm2 2.102 CV 1
ASSI { 1487}
(( segid "SAP" and resid 190 and name HG1 ))
(( segid "SAP" and resid 190 and name HD2 ))
2.800 1.000 1.000 peak 1487 spectrum 1 weight 0.10000E+01 volume 0.26235E-02 ppm1 3.546 ppm2 1.943 CV 1
OR { 1487}
(( segid "SAP" and resid 190 and name HG2 ))
(( segid "SAP" and resid 190 and name HD2 ))
ASSI { 1488}
(( segid "SAP" and resid 190 and name HB2 ))
(( segid "SAP" and resid 190 and name HD2 ))
3.500 1.500 1.500 peak 1488 spectrum 1 weight 0.10000E+01 volume 0.14699E-02 ppm1 3.545 ppm2 1.855 CV 1
ASSI { 1489}
( segid "SAP" and resid 189 and name HG2%)
(( segid "SAP" and resid 190 and name HD2 ))
2.800 1.000 1.000 peak 1489 spectrum 1 weight 0.10000E+01 volume 0.18694E-02 ppm1 3.546 ppm2 0.711 CV 1
ASSI { 1490}
( segid "SAP" and resid 189 and name HG2%)
(( segid "SAP" and resid 190 and name HD1 ))
4.100 2.100 1.900 peak 1490 spectrum 1 weight 0.10000E+01 volume 0.93947E-03 ppm1 4.049 ppm2 0.718 CV 1
ASSI { 1}
( segid "SAP" and resid 201 and name HD1%)
(( segid "PAH3" and resid 464 and name HB1 ))
3.100 1.200 1.200 peak 1 spectrum 1 weight 0.10000E+01 volume 0.20858E-02 ppm1 2.288 ppm2 1.046 CV 1
OR { 1}
( segid "SAP" and resid 201 and name HG2%)
(( segid "PAH3" and resid 464 and name HB1 ))
ASSI { 2}
( segid "SAP" and resid 201 and name HD1%)
(( segid "PAH3" and resid 464 and name HB2 ))
3.400 1.500 1.500 peak 2 spectrum 1 weight 0.10000E+01 volume 0.24930E-02 ppm1 2.051 ppm2 1.037 CV 1
OR { 2}
( segid "SAP" and resid 201 and name HG2%)
(( segid "PAH3" and resid 464 and name HB2 ))
ASSI { 3}
( segid "SAP" and resid 201 and name HG2%)
(( segid "PAH3" and resid 464 and name HG1 ))
3.800 1.800 1.800 peak 3 spectrum 1 weight 0.10000E+01 volume 0.15456E-02 ppm1 2.624 ppm2 1.040 CV 1
OR { 3}
( segid "SAP" and resid 201 and name HD1%)
(( segid "PAH3" and resid 464 and name HG1 ))
ASSI { 4}
( segid "SAP" and resid 201 and name HG2%)
(( segid "PAH3" and resid 464 and name HG2 ))
3.200 1.300 1.300 peak 4 spectrum 1 weight 0.10000E+01 volume 0.17867E-02 ppm1 2.401 ppm2 1.043 CV 1
OR { 4}
( segid "SAP" and resid 201 and name HD1%)
(( segid "PAH3" and resid 464 and name HG2 ))
ASSI { 6}
( segid "SAP" and resid 197 and name HD1%)
(( segid "PAH3" and resid 468 and name HB2 ))
3.700 1.700 1.700 peak 6 spectrum 1 weight 0.10000E+01 volume 0.13961E-02 ppm1 2.973 ppm2 0.619 CV 1
ASSI { 12}
(( segid "SAP" and resid 146 and name HB2 ))
( segid "PAH3" and resid 480 and name HB% )
3.800 1.800 1.800 peak 12 spectrum 1 weight 0.10000E+01 volume 0.83096E-03 ppm1 1.652 ppm2 1.058 CV 1
ASSI { 13}
(( segid "SAP" and resid 146 and name HD1 ))
( segid "PAH3" and resid 480 and name HB% )
4.300 2.300 1.700 peak 13 spectrum 1 weight 0.10000E+01 volume 0.14293E-02 ppm1 1.652 ppm2 3.811 CV 1
ASSI { 18}
( segid "SAP" and resid 191 and name HG1%)
(( segid "PAH3" and resid 482 and name HB1 ))
4.300 2.300 1.700 peak 18 spectrum 1 weight 0.10000E+01 volume 0.16122E-02 ppm1 2.152 ppm2 0.732 CV 1
ASSI { 19}
( segid "SAP" and resid 191 and name HG1%)
(( segid "PAH3" and resid 482 and name HB2 ))
3.700 1.700 1.700 peak 19 spectrum 1 weight 0.10000E+01 volume 0.34154E-02 ppm1 1.920 ppm2 0.736 CV 1
ASSI { 20}
(( segid "SAP" and resid 191 and name HB ))
(( segid "PAH3" and resid 482 and name HG1 ))
4.300 2.300 1.700 peak 20 spectrum 1 weight 0.10000E+01 volume 0.87251E-03 ppm1 2.455 ppm2 1.801 CV 1
ASSI { 22}
( segid "SAP" and resid 191 and name HG2%)
(( segid "PAH3" and resid 482 and name HG1 ))
3.400 1.500 1.500 peak 22 spectrum 1 weight 0.10000E+01 volume 0.24099E-02 ppm1 2.461 ppm2 0.679 CV 1
ASSI { 26}
( segid "SAP" and resid 148 and name HG1%)
(( segid "PAH3" and resid 483 and name HB1 ))
4.200 2.200 1.800 peak 26 spectrum 1 weight 0.10000E+01 volume 0.98058E-03 ppm1 3.083 ppm2 0.970 CV 1
ASSI { 29}
( segid "SAP" and resid 191 and name HG1%)
(( segid "PAH3" and resid 485 and name HB1 ))
3.500 1.500 1.500 peak 29 spectrum 1 weight 0.10000E+01 volume 0.17617E-02 ppm1 1.961 ppm2 0.739 CV 1
ASSI { 33}
(( segid "SAP" and resid 197 and name HA ))
( segid "PAH3" and resid 485 and name HD1%)
5.000 3.100 1.000 peak 33 spectrum 1 weight 0.10000E+01 volume 0.63239E-03 ppm1 0.531 ppm2 3.827 CV 1
ASSI { 34}
( segid "SAP" and resid 197 and name HD1%)
( segid "PAH3" and resid 485 and name HD1%)
3.600 1.600 1.600 peak 34 spectrum 1 weight 0.10000E+01 volume 0.27589E-02 ppm1 0.536 ppm2 0.614 CV 1
ASSI { 36}
(( segid "SAP" and resid 191 and name HB ))
( segid "PAH3" and resid 485 and name HD2%)
4.500 2.500 1.500 peak 36 spectrum 1 weight 0.10000E+01 volume 0.13628E-02 ppm1 0.455 ppm2 1.801 CV 1
ASSI { 43}
( segid "SAP" and resid 197 and name HD2%)
( segid "PAH3" and resid 485 and name HD2%)
3.300 1.400 1.400 peak 43 spectrum 1 weight 0.10000E+01 volume 0.87251E-03 ppm1 0.455 ppm2 -0.056 CV 1
ASSI { 45}
( segid "SAP" and resid 196 and name HG2%)
(( segid "PAH3" and resid 488 and name HB1 ))
3.000 1.100 1.100 peak 45 spectrum 1 weight 0.10000E+01 volume 0.21689E-02 ppm1 1.809 ppm2 1.051 CV 1
ASSI { 46}
( segid "SAP" and resid 196 and name HG2%)
(( segid "PAH3" and resid 488 and name HB2 ))
2.900 1.100 1.100 peak 46 spectrum 1 weight 0.10000E+01 volume 0.11883E-02 ppm1 1.027 ppm2 1.046 CV 1
ASSI { 49}
( segid "SAP" and resid 200 and name HD% )
( segid "PAH3" and resid 488 and name HD1%)
3.300 1.400 1.400 peak 49 spectrum 1 weight 0.10000E+01 volume 0.15622E-02 ppm1 0.217 ppm2 7.668 CV 1
ASSI { 50}
( segid "SAP" and resid 196 and name HG2%)
( segid "PAH3" and resid 488 and name HD2%)
4.200 2.200 1.800 peak 50 spectrum 1 weight 0.10000E+01 volume 0.21190E-02 ppm1 0.028 ppm2 1.049 CV 1
ASSI { 51}
( segid "SAP" and resid 200 and name HD% )
( segid "PAH3" and resid 488 and name HD2%)
2.800 1.000 1.000 peak 51 spectrum 1 weight 0.10000E+01 volume 0.27173E-02 ppm1 0.028 ppm2 7.667 CV 1
ASSI { 52}
( segid "SAP" and resid 200 and name HE% )
( segid "PAH3" and resid 488 and name HD2%)
2.900 1.000 1.000 peak 52 spectrum 1 weight 0.10000E+01 volume 0.35816E-02 ppm1 0.030 ppm2 7.121 CV 1
ASSI { 53}
(( segid "SAP" and resid 200 and name HZ ))
( segid "PAH3" and resid 488 and name HD2%)
3.300 1.400 1.400 peak 53 spectrum 1 weight 0.10000E+01 volume 0.14708E-02 ppm1 0.034 ppm2 6.920 CV 1
ASSI { 61}
( segid "SAP" and resid 165 and name HD% )
( segid "PAH3" and resid 490 and name HD1%)
4.000 2.000 2.000 peak 61 spectrum 1 weight 0.10000E+01 volume 0.19196E-02 ppm1 1.057 ppm2 6.945 CV 1
ASSI { 63}
( segid "SAP" and resid 165 and name HD% )
( segid "PAH3" and resid 490 and name HG2%)
2.900 1.100 1.100 peak 63 spectrum 1 weight 0.10000E+01 volume 0.91407E-02 ppm1 1.332 ppm2 6.941 CV 1
ASSI { 65}
( segid "SAP" and resid 189 and name HD1%)
( segid "PAH3" and resid 490 and name HG2%)
2.500 0.800 0.800 peak 65 spectrum 1 weight 0.10000E+01 volume 0.70136E-02 ppm1 1.331 ppm2 0.708 CV 1
OR { 65}
( segid "SAP" and resid 189 and name HG2%)
( segid "PAH3" and resid 490 and name HG2%)
ASSI { 66}
( segid "SAP" and resid 157 and name HG2%)
( segid "PAH3" and resid 495 and name HG1%)
3.400 1.500 1.500 peak 66 spectrum 1 weight 0.10000E+01 volume 0.20443E-02 ppm1 0.924 ppm2 1.454 CV 1
ASSI { 67}
(( segid "SAP" and resid 161 and name HA ))
( segid "PAH3" and resid 495 and name HG1%)
2.200 0.600 0.600 peak 67 spectrum 1 weight 0.10000E+01 volume 0.82685E-02 ppm1 0.930 ppm2 3.889 CV 1
ASSI { 68}
( segid "SAP" and resid 165 and name HD% )
( segid "PAH3" and resid 495 and name HG1%)
3.300 1.400 1.400 peak 68 spectrum 1 weight 0.10000E+01 volume 0.23019E-02 ppm1 0.928 ppm2 6.952 CV 1
ASSI { 69}
( segid "SAP" and resid 161 and name HD% )
( segid "PAH3" and resid 495 and name HG1%)
2.300 0.700 0.700 peak 69 spectrum 1 weight 0.10000E+01 volume 0.73127E-02 ppm1 0.932 ppm2 6.730 CV 1
ASSI { 70}
(( segid "SAP" and resid 161 and name HA ))
( segid "PAH3" and resid 495 and name HG2%)
2.900 1.000 1.000 peak 70 spectrum 1 weight 0.10000E+01 volume 0.36232E-02 ppm1 0.273 ppm2 3.892 CV 1
ASSI { 71}
(( segid "SAP" and resid 164 and name HB1 ))
( segid "PAH3" and resid 495 and name HG2%)
3.100 1.200 1.200 peak 71 spectrum 1 weight 0.10000E+01 volume 0.16370E-02 ppm1 0.274 ppm2 2.944 CV 1
ASSI { 72}
(( segid "SAP" and resid 165 and name HA ))
( segid "PAH3" and resid 495 and name HG2%)
3.600 1.600 1.600 peak 72 spectrum 1 weight 0.10000E+01 volume 0.23683E-02 ppm1 0.271 ppm2 4.331 CV 1
ASSI { 73}
( segid "SAP" and resid 165 and name HD% )
( segid "PAH3" and resid 495 and name HG2%)
2.700 0.900 0.900 peak 73 spectrum 1 weight 0.10000E+01 volume 0.63488E-02 ppm1 0.271 ppm2 6.951 CV 1
ASSI { 75}
( segid "SAP" and resid 153 and name HD1%)
( segid "PAH3" and resid 496 and name HG2%)
3.100 1.200 1.200 peak 75 spectrum 1 weight 0.10000E+01 volume 0.18365E-02 ppm1 0.802 ppm2 0.913 CV 1
ASSI { 76}
( segid "SAP" and resid 153 and name HD2%)
( segid "PAH3" and resid 496 and name HG2%)
3.100 1.200 1.200 peak 76 spectrum 1 weight 0.10000E+01 volume 0.25512E-02 ppm1 0.800 ppm2 0.766 CV 1
ASSI { 78}
( segid "SAP" and resid 153 and name HD1%)
(( segid "PAH3" and resid 500 and name HA ))
5.300 3.500 0.700 peak 78 spectrum 1 weight 0.10000E+01 volume 0.45954E-03 ppm1 4.000 ppm2 0.880 CV 1
ASSI { 79}
( segid "SAP" and resid 148 and name HG2%)
(( segid "PAH3" and resid 504 and name HB1 ))
3.400 1.500 1.500 peak 79 spectrum 1 weight 0.10000E+01 volume 0.75122E-03 ppm1 1.980 ppm2 0.689 CV 1
ASSI { 81}
( segid "SAP" and resid 153 and name HD1%)
(( segid "PAH3" and resid 504 and name HG ))
4.200 2.300 1.800 peak 81 spectrum 1 weight 0.10000E+01 volume 0.10803E-02 ppm1 1.989 ppm2 0.890 CV 1
ASSI { 82}
( segid "SAP" and resid 148 and name HG1%)
( segid "PAH3" and resid 504 and name HD1%)
4.100 2.100 1.900 peak 82 spectrum 1 weight 0.10000E+01 volume 0.11551E-02 ppm1 0.824 ppm2 0.992 CV 1
ASSI { 85}
( segid "SAP" and resid 153 and name HD1%)
( segid "PAH3" and resid 504 and name HD1%)
3.200 1.300 1.300 peak 85 spectrum 1 weight 0.10000E+01 volume 0.14792E-02 ppm1 0.819 ppm2 0.897 CV 1
ASSI { 88}
( segid "SAP" and resid 148 and name HG1%)
( segid "PAH3" and resid 504 and name HD2%)
3.400 1.500 1.500 peak 88 spectrum 1 weight 0.10000E+01 volume 0.29583E-02 ppm1 0.722 ppm2 0.985 CV 1
ASSI { 90}
(( segid "SAP" and resid 150 and name HA ))
( segid "PAH3" and resid 504 and name HD2%)
2.800 1.000 1.000 peak 90 spectrum 1 weight 0.10000E+01 volume 0.25761E-02 ppm1 0.720 ppm2 3.816 CV 1
ASSI { 94}
(( segid "SAP" and resid 152 and name HG1 ))
( segid "PAH3" and resid 504 and name HD2%)
4.000 2.000 2.000 peak 94 spectrum 1 weight 0.10000E+01 volume 0.80772E-03 ppm1 0.730 ppm2 2.323 CV 1
OR { 94}
(( segid "SAP" and resid 152 and name HG2 ))
( segid "PAH3" and resid 504 and name HD2%)
ASSI { 95}
(( segid "SAP" and resid 153 and name HG ))
( segid "PAH3" and resid 504 and name HD2%)
2.700 0.900 0.900 peak 95 spectrum 1 weight 0.10000E+01 volume 0.20526E-02 ppm1 0.727 ppm2 1.647 CV 1
ASSI { 97}
( segid "SAP" and resid 153 and name HD2%)
( segid "PAH3" and resid 504 and name HD2%)
2.700 0.900 0.900 peak 97 spectrum 1 weight 0.10000E+01 volume 0.45538E-02 ppm1 0.717 ppm2 0.756 CV 1
ASSI { 98}
(( segid "SAP" and resid 148 and name HA ))
(( segid "PAH3" and resid 507 and name HG2 ))
3.000 1.100 1.100 peak 98 spectrum 1 weight 0.10000E+01 volume 0.17201E-02 ppm1 1.946 ppm2 3.902 CV 1
OR { 98}
(( segid "SAP" and resid 148 and name HA ))
(( segid "PAH3" and resid 507 and name HG1 ))
ASSI { 104}
( segid "SAP" and resid 200 and name HD% )
( segid "PAH3" and resid 523 and name HD1%)
4.500 2.600 1.500 peak 104 spectrum 1 weight 0.10000E+01 volume 0.93903E-03 ppm1 0.485 ppm2 7.671 CV 1
ASSI { 105}
( segid "SAP" and resid 200 and name HE% )
( segid "PAH3" and resid 523 and name HD1%)
3.200 1.200 1.200 peak 105 spectrum 1 weight 0.10000E+01 volume 0.34985E-02 ppm1 0.481 ppm2 7.115 CV 1
ASSI { 106}
(( segid "SAP" and resid 200 and name HZ ))
( segid "PAH3" and resid 523 and name HD1%)
2.500 0.800 0.800 peak 106 spectrum 1 weight 0.10000E+01 volume 0.51438E-02 ppm1 0.479 ppm2 6.906 CV 1
ASSI { 109}
( segid "SAP" and resid 200 and name HE% )
( segid "PAH3" and resid 523 and name HD2%)
3.200 1.300 1.300 peak 109 spectrum 1 weight 0.10000E+01 volume 0.17617E-02 ppm1 0.341 ppm2 7.111 CV 1
ASSI { 110}
(( segid "SAP" and resid 200 and name HZ ))
( segid "PAH3" and resid 523 and name HD2%)
3.300 1.400 1.400 peak 110 spectrum 1 weight 0.10000E+01 volume 0.16786E-02 ppm1 0.347 ppm2 6.896 CV 1
ASSI { 116}
(( segid "SAP" and resid 149 and name HA ))
(( segid "PAH3" and resid 507 and name HG2 ))
5.000 3.100 1.000 peak 116 spectrum 1 weight 0.10000E+01 volume 0.42381E-03 ppm1 1.940 ppm2 4.873 CV 1
OR { 116}
(( segid "SAP" and resid 149 and name HA ))
(( segid "PAH3" and resid 507 and name HG1 ))
ASSI { 118}
(( segid "SAP" and resid 191 and name HA ))
( segid "PAH3" and resid 485 and name HD2%)
5.100 3.300 0.900 peak 118 spectrum 1 weight 0.10000E+01 volume 0.61577E-03 ppm1 0.452 ppm2 3.991 CV 1
ASSI { 119}
( segid "SAP" and resid 200 and name HE% )
( segid "PAH3" and resid 501 and name HD2%)
2.700 0.900 0.900 peak 119 spectrum 1 weight 0.10000E+01 volume 0.35649E-02 ppm1 0.531 ppm2 7.105 CV 1
ASSI { 120}
( segid "SAP" and resid 200 and name HD% )
( segid "PAH3" and resid 501 and name HD2%)
3.900 1.900 1.900 peak 120 spectrum 1 weight 0.10000E+01 volume 0.87251E-03 ppm1 0.527 ppm2 7.671 CV 1
ASSI { 121}
( segid "SAP" and resid 148 and name HG2%)
(( segid "PAH3" and resid 504 and name HG ))
4.600 2.600 1.400 peak 121 spectrum 1 weight 0.10000E+01 volume 0.78859E-03 ppm1 1.988 ppm2 0.690 CV 1
ASSI { 124}
(( segid "SAP" and resid 200 and name HZ ))
( segid "PAH3" and resid 501 and name HD2%)
3.500 1.500 1.500 peak 124 spectrum 1 weight 0.10000E+01 volume 0.14875E-02 ppm1 0.542 ppm2 6.901 CV 1
ASSI { 126}
( segid "SAP" and resid 197 and name HD1%)
( segid "PAH3" and resid 488 and name HD1%)
4.600 2.700 1.400 peak 126 spectrum 1 weight 0.10000E+01 volume 0.12049E-02 ppm1 0.221 ppm2 0.614 CV 1
ASSI { 127}
( segid "SAP" and resid 191 and name HG1%)
( segid "PAH3" and resid 488 and name HD1%)
4.900 3.000 1.100 peak 127 spectrum 1 weight 0.10000E+01 volume 0.82850E-03 ppm1 0.228 ppm2 0.730 CV 1
ASSI { 128}
(( segid "SAP" and resid 197 and name HA ))
( segid "PAH3" and resid 488 and name HD1%)
3.400 1.500 1.500 peak 128 spectrum 1 weight 0.10000E+01 volume 0.93903E-03 ppm1 0.221 ppm2 3.842 CV 1
ASSI { 129}
(( segid "SAP" and resid 201 and name HA ))
( segid "PAH3" and resid 488 and name HD1%)
4.500 2.500 1.500 peak 129 spectrum 1 weight 0.10000E+01 volume 0.77200E-03 ppm1 0.223 ppm2 3.664 CV 1
ASSI { 130}
( segid "SAP" and resid 200 and name HE% )
( segid "PAH3" and resid 488 and name HD1%)
3.800 1.800 1.800 peak 130 spectrum 1 weight 0.10000E+01 volume 0.10637E-02 ppm1 0.222 ppm2 7.126 CV 1
ASSI { 131}
(( segid "SAP" and resid 196 and name HB ))
( segid "PAH3" and resid 489 and name HG1%)
4.200 2.200 1.800 peak 131 spectrum 1 weight 0.10000E+01 volume 0.10637E-02 ppm1 1.108 ppm2 4.048 CV 1
ASSI { 134}
(( segid "SAP" and resid 150 and name HG ))
( segid "PAH3" and resid 504 and name HD2%)
3.900 1.900 1.900 peak 134 spectrum 1 weight 0.10000E+01 volume 0.14210E-02 ppm1 0.719 ppm2 1.258 CV 1
ASSI { 136}
(( segid "SAP" and resid 148 and name HB ))
( segid "PAH3" and resid 504 and name HD2%)
4.200 2.200 1.800 peak 136 spectrum 1 weight 0.10000E+01 volume 0.88918E-03 ppm1 0.715 ppm2 1.821 CV 1
ASSI { 139}
(( segid "SAP" and resid 153 and name HN ))
( segid "PAH3" and resid 504 and name HD2%)
3.900 1.900 1.900 peak 139 spectrum 1 weight 0.10000E+01 volume 0.17534E-02 ppm1 0.720 ppm2 7.180 CV 1
ASSI { 141}
( segid "SAP" and resid 191 and name HG1%)
( segid "PAH3" and resid 485 and name HD1%)
3.200 1.200 1.200 peak 141 spectrum 1 weight 0.10000E+01 volume 0.29002E-02 ppm1 0.532 ppm2 0.708 CV 1
OR { 141}
( segid "SAP" and resid 191 and name HG2%)
( segid "PAH3" and resid 485 and name HD1%)
ASSI { 142}
(( segid "SAP" and resid 197 and name HG ))
( segid "PAH3" and resid 485 and name HD1%)
3.600 1.600 1.600 peak 142 spectrum 1 weight 0.10000E+01 volume 0.11883E-02 ppm1 0.536 ppm2 1.470 CV 1
ASSI { 143}
(( segid "SAP" and resid 193 and name HG2 ))
( segid "PAH3" and resid 485 and name HD1%)
4.900 3.000 1.100 peak 143 spectrum 1 weight 0.10000E+01 volume 0.74374E-03 ppm1 0.531 ppm2 2.094 CV 1
ASSI { 144}
(( segid "SAP" and resid 193 and name HG1 ))
( segid "PAH3" and resid 485 and name HD1%)
3.700 1.700 1.700 peak 144 spectrum 1 weight 0.10000E+01 volume 0.67809E-03 ppm1 0.531 ppm2 2.193 CV 1
ASSI { 145}
(( segid "SAP" and resid 196 and name HB ))
( segid "PAH3" and resid 485 and name HD1%)
3.600 1.600 1.600 peak 145 spectrum 1 weight 0.10000E+01 volume 0.88088E-03 ppm1 0.527 ppm2 4.049 CV 1
ASSI { 148}
(( segid "SAP" and resid 160 and name HD1 ))
( segid "PAH3" and resid 495 and name HG2%)
4.900 3.000 1.100 peak 148 spectrum 1 weight 0.10000E+01 volume 0.46619E-03 ppm1 0.263 ppm2 3.481 CV 1
ASSI { 149}
(( segid "SAP" and resid 161 and name HB2 ))
( segid "PAH3" and resid 495 and name HG2%)
4.200 2.200 1.800 peak 149 spectrum 1 weight 0.10000E+01 volume 0.14127E-02 ppm1 0.284 ppm2 2.655 CV 1
OR { 149}
(( segid "SAP" and resid 161 and name HB1 ))
( segid "PAH3" and resid 495 and name HG2%)
ASSI { 150}
(( segid "SAP" and resid 160 and name HD1 ))
( segid "PAH3" and resid 495 and name HG1%)
3.800 1.800 1.800 peak 150 spectrum 1 weight 0.10000E+01 volume 0.15955E-02 ppm1 0.929 ppm2 3.478 CV 1
ASSI { 151}
(( segid "SAP" and resid 164 and name HB1 ))
( segid "PAH3" and resid 495 and name HG1%)
4.300 2.300 1.700 peak 151 spectrum 1 weight 0.10000E+01 volume 0.54513E-03 ppm1 0.931 ppm2 2.942 CV 1
ASSI { 152}
(( segid "SAP" and resid 161 and name HB2 ))
( segid "PAH3" and resid 495 and name HG1%)
2.900 1.000 1.000 peak 152 spectrum 1 weight 0.10000E+01 volume 0.30165E-02 ppm1 0.924 ppm2 2.665 CV 1
OR { 152}
(( segid "SAP" and resid 161 and name HB1 ))
( segid "PAH3" and resid 495 and name HG1%)
ASSI { 154}
(( segid "SAP" and resid 160 and name HG2 ))
( segid "PAH3" and resid 495 and name HG1%)
3.100 1.200 1.200 peak 154 spectrum 1 weight 0.10000E+01 volume 0.16122E-02 ppm1 0.931 ppm2 1.570 CV 1
ASSI { 155}
( segid "SAP" and resid 161 and name HE% )
( segid "PAH3" and resid 490 and name HG2%)
2.700 0.900 0.900 peak 155 spectrum 1 weight 0.10000E+01 volume 0.24431E-02 ppm1 1.329 ppm2 7.243 CV 1
ASSI { 156}
( segid "SAP" and resid 186 and name HE% )
( segid "PAH3" and resid 490 and name HG2%)
2.800 1.000 1.000 peak 156 spectrum 1 weight 0.10000E+01 volume 0.36397E-02 ppm1 1.330 ppm2 7.140 CV 1
ASSI { 157}
( segid "SAP" and resid 143 and name HG2%)
( segid "PAH3" and resid 480 and name HB% )
5.500 3.800 0.500 peak 157 spectrum 1 weight 0.10000E+01 volume 0.41965E-03 ppm1 1.655 ppm2 0.872 CV 1
OR { 157}
( segid "SAP" and resid 143 and name HD1%)
( segid "PAH3" and resid 480 and name HB% )
ASSI { 159}
( segid "SAP" and resid 161 and name HD% )
( segid "PAH3" and resid 496 and name HG2%)
4.400 2.400 1.600 peak 159 spectrum 1 weight 0.10000E+01 volume 0.76617E-03 ppm1 0.808 ppm2 6.723 CV 1
ASSI { 161}
( segid "SAP" and resid 200 and name HD% )
(( segid "PAH3" and resid 488 and name HB1 ))
4.300 2.300 1.700 peak 161 spectrum 1 weight 0.10000E+01 volume 0.57089E-03 ppm1 1.818 ppm2 7.673 CV 1
ASSI { 163}
( segid "SAP" and resid 182 and name HG2%)
( segid "PAH3" and resid 490 and name HD1%)
5.200 3.300 0.800 peak 163 spectrum 1 weight 0.10000E+01 volume 0.40303E-03 ppm1 1.061 ppm2 -0.173 CV 1
ASSI { 166}
( segid "SAP" and resid 186 and name HE% )
( segid "PAH3" and resid 490 and name HD1%)
2.300 0.700 0.700 peak 166 spectrum 1 weight 0.10000E+01 volume 0.45954E-02 ppm1 1.066 ppm2 7.132 CV 1
ASSI { 167}
(( segid "SAP" and resid 186 and name HZ ))
( segid "PAH3" and resid 490 and name HD1%)
5.000 3.100 1.000 peak 167 spectrum 1 weight 0.10000E+01 volume 0.27589E-03 ppm1 1.065 ppm2 7.488 CV 1
ASSI { 170}
( segid "SAP" and resid 196 and name HG2%)
( segid "PAH3" and resid 489 and name HG1%)
2.400 0.700 0.700 peak 170 spectrum 1 weight 0.10000E+01 volume 0.70717E-02 ppm1 1.108 ppm2 1.057 CV 1
ASSI { 171}
( segid "SAP" and resid 150 and name HD1%)
( segid "PAH3" and resid 504 and name HD2%)
4.700 2.800 1.300 peak 171 spectrum 1 weight 0.10000E+01 volume 0.92244E-03 ppm1 0.722 ppm2 0.472 CV 1
ASSI { 174}
(( segid "SAP" and resid 160 and name HG2 ))
( segid "PAH3" and resid 495 and name HG2%)
3.800 1.800 1.800 peak 174 spectrum 1 weight 0.10000E+01 volume 0.85592E-03 ppm1 0.282 ppm2 1.580 CV 1
ASSI { 179}
(( segid "SAP" and resid 160 and name HD1 ))
(( segid "PAH3" and resid 495 and name HA ))
3.000 1.100 1.100 peak 179 spectrum 1 weight 0.10000E+01 volume 0.25179E-02 ppm1 3.484 ppm2 3.472 CV 1
ASSI { 180}
( segid "SAP" and resid 157 and name HG2%)
( segid "PAH3" and resid 496 and name HD1%)
5.200 3.400 0.800 peak 180 spectrum 1 weight 0.10000E+01 volume 0.64402E-03 ppm1 0.971 ppm2 1.472 CV 1
ASSI { 181}
( segid "SAP" and resid 153 and name HD1%)
( segid "PAH3" and resid 496 and name HD1%)
3.600 1.600 1.600 peak 181 spectrum 1 weight 0.10000E+01 volume 0.19113E-02 ppm1 0.964 ppm2 0.857 CV 1
ASSI { 182}
( segid "SAP" and resid 153 and name HD2%)
( segid "PAH3" and resid 496 and name HD1%)
4.200 2.200 1.800 peak 182 spectrum 1 weight 0.10000E+01 volume 0.77446E-03 ppm1 0.958 ppm2 0.736 CV 1
ASSI { 184}
( segid "SAP" and resid 148 and name HG2%)
(( segid "PAH3" and resid 507 and name HG2 ))
4.400 2.400 1.600 peak 184 spectrum 1 weight 0.10000E+01 volume 0.55427E-03 ppm1 1.940 ppm2 0.695 CV 1
OR { 184}
( segid "SAP" and resid 148 and name HG2%)
(( segid "PAH3" and resid 507 and name HG1 ))
ASSI { 186}
( segid "SAP" and resid 143 and name HD1%)
(( segid "PAH3" and resid 476 and name HD1 ))
4.000 2.000 2.000 peak 186 spectrum 1 weight 0.10000E+01 volume 0.83096E-03 ppm1 3.241 ppm2 0.879 CV 1
OR { 186}
( segid "SAP" and resid 143 and name HD1%)
(( segid "PAH3" and resid 476 and name HD2 ))
OR { 186}
( segid "SAP" and resid 143 and name HG2%)
(( segid "PAH3" and resid 476 and name HD2 ))
ASSI { 187}
( segid "SAP" and resid 143 and name HG2%)
(( segid "PAH3" and resid 511 and name HE1 ))
3.900 1.900 1.900 peak 187 spectrum 1 weight 0.10000E+01 volume 0.73958E-03 ppm1 2.874 ppm2 0.922 CV 1
OR { 187}
( segid "SAP" and resid 143 and name HG2%)
(( segid "PAH3" and resid 511 and name HE2 ))
ASSI { 191}
( segid "SAP" and resid 148 and name HG1%)
(( segid "PAH3" and resid 507 and name HG2 ))
5.000 3.200 1.000 peak 191 spectrum 1 weight 0.10000E+01 volume 0.51688E-03 ppm1 1.937 ppm2 0.979 CV 1
OR { 191}
( segid "SAP" and resid 148 and name HG1%)
(( segid "PAH3" and resid 507 and name HG1 ))
ASSI { 194}
(( segid "SAP" and resid 191 and name HA ))
( segid "PAH3" and resid 489 and name HG1%)
3.500 1.600 1.600 peak 194 spectrum 1 weight 0.10000E+01 volume 0.93903E-03 ppm1 1.110 ppm2 3.981 CV 1
ASSI { 169}
(( segid "SAP" and resid 189 and name HB ))
(( segid "PAH3" and resid 486 and name HE ))
3.400 1.400 1.400 peak 169 spectrum 1 weight 0.10000E+01 volume 0.10969E-02 ppm1 7.446 ppm2 1.254 CV 1
ASSI { 1}
( segid "PAH3" and resid 485 and name HD1%)
(( segid "PAH3" and resid 485 and name HA ))
3.000 1.100 1.100 peak 1 spectrum 1 weight 0.10000E+01 volume 0.59720E-02 ppm1 3.450 ppm2 0.542 CV 1
ASSI { 2}
( segid "PAH3" and resid 501 and name HD2%)
(( segid "PAH3" and resid 501 and name HA ))
3.800 1.800 1.800 peak 2 spectrum 1 weight 0.10000E+01 volume 0.13625E-02 ppm1 4.039 ppm2 0.568 CV 1
ASSI { 3}
(( segid "PAH3" and resid 528 and name HB1 ))
(( segid "PAH3" and resid 528 and name HA ))
2.600 0.800 0.800 peak 3 spectrum 1 weight 0.10000E+01 volume 0.51748E-02 ppm1 4.197 ppm2 3.809 CV 1
OR { 3}
(( segid "PAH3" and resid 528 and name HB2 ))
(( segid "PAH3" and resid 528 and name HA ))
ASSI { 6}
(( segid "PAH3" and resid 527 and name HB1 ))
(( segid "PAH3" and resid 527 and name HG1 ))
2.000 0.500 0.500 peak 6 spectrum 1 weight 0.10000E+01 volume 0.23338E-01 ppm1 2.231 ppm2 2.040 CV 1
OR { 6}
(( segid "PAH3" and resid 527 and name HB1 ))
(( segid "PAH3" and resid 527 and name HG2 ))
ASSI { 7}
(( segid "PAH3" and resid 527 and name HA ))
(( segid "PAH3" and resid 527 and name HG2 ))
3.100 1.200 1.200 peak 7 spectrum 1 weight 0.10000E+01 volume 0.18844E-02 ppm1 2.229 ppm2 4.110 CV 1
OR { 7}
(( segid "PAH3" and resid 527 and name HA ))
(( segid "PAH3" and resid 527 and name HG1 ))
ASSI { 8}
(( segid "PAH3" and resid 527 and name HB2 ))
(( segid "PAH3" and resid 527 and name HB1 ))
1.500 0.300 0.700 peak 8 spectrum 1 weight 0.10000E+01 volume 0.54357E-01 ppm1 2.041 ppm2 1.856 CV 1
ASSI { 10}
(( segid "PAH3" and resid 527 and name HG2 ))
(( segid "PAH3" and resid 527 and name HB2 ))
2.300 0.600 0.600 peak 10 spectrum 1 weight 0.10000E+01 volume 0.11741E-01 ppm1 1.855 ppm2 2.227 CV 1
OR { 10}
(( segid "PAH3" and resid 527 and name HG1 ))
(( segid "PAH3" and resid 527 and name HB2 ))
ASSI { 14}
(( segid "PAH3" and resid 527 and name HB2 ))
(( segid "PAH3" and resid 527 and name HA ))
2.700 0.900 0.900 peak 14 spectrum 1 weight 0.10000E+01 volume 0.38122E-02 ppm1 4.111 ppm2 1.854 CV 1
ASSI { 15}
(( segid "PAH3" and resid 527 and name HB1 ))
(( segid "PAH3" and resid 527 and name HA ))
2.600 0.900 0.900 peak 15 spectrum 1 weight 0.10000E+01 volume 0.47400E-02 ppm1 4.109 ppm2 2.042 CV 1
ASSI { 17}
(( segid "PAH3" and resid 526 and name HG1 ))
(( segid "PAH3" and resid 526 and name HE2 ))
2.700 0.900 0.900 peak 17 spectrum 1 weight 0.10000E+01 volume 0.45877E-02 ppm1 2.900 ppm2 1.256 CV 1
OR { 17}
(( segid "PAH3" and resid 526 and name HG1 ))
(( segid "PAH3" and resid 526 and name HE1 ))
OR { 17}
(( segid "PAH3" and resid 526 and name HG2 ))
(( segid "PAH3" and resid 526 and name HE1 ))
OR { 17}
(( segid "PAH3" and resid 526 and name HG2 ))
(( segid "PAH3" and resid 526 and name HE2 ))
ASSI { 18}
(( segid "PAH3" and resid 526 and name HA ))
(( segid "PAH3" and resid 526 and name HE2 ))
4.600 2.600 1.400 peak 18 spectrum 1 weight 0.10000E+01 volume 0.26454E-03 ppm1 2.897 ppm2 4.226 CV 1
OR { 18}
(( segid "PAH3" and resid 526 and name HA ))
(( segid "PAH3" and resid 526 and name HE1 ))
ASSI { 20}
(( segid "PAH3" and resid 526 and name HG2 ))
(( segid "PAH3" and resid 526 and name HD1 ))
2.000 0.500 0.500 peak 20 spectrum 1 weight 0.10000E+01 volume 0.20511E-01 ppm1 1.571 ppm2 1.266 CV 1
OR { 20}
(( segid "PAH3" and resid 526 and name HG1 ))
(( segid "PAH3" and resid 526 and name HD2 ))
OR { 20}
(( segid "PAH3" and resid 526 and name HG2 ))
(( segid "PAH3" and resid 526 and name HD2 ))
OR { 20}
(( segid "PAH3" and resid 526 and name HG1 ))
(( segid "PAH3" and resid 526 and name HD1 ))
ASSI { 21}
(( segid "PAH3" and resid 526 and name HA ))
(( segid "PAH3" and resid 526 and name HD2 ))
3.400 1.500 1.500 peak 21 spectrum 1 weight 0.10000E+01 volume 0.13988E-02 ppm1 1.575 ppm2 4.227 CV 1
OR { 21}
(( segid "PAH3" and resid 526 and name HA ))
(( segid "PAH3" and resid 526 and name HD1 ))
ASSI { 22}
(( segid "PAH3" and resid 526 and name HB2 ))
(( segid "PAH3" and resid 526 and name HG1 ))
2.000 0.500 0.500 peak 22 spectrum 1 weight 0.10000E+01 volume 0.22975E-01 ppm1 1.257 ppm2 1.548 CV 1
OR { 22}
(( segid "PAH3" and resid 526 and name HD1 ))
(( segid "PAH3" and resid 526 and name HG2 ))
OR { 22}
(( segid "PAH3" and resid 526 and name HD2 ))
(( segid "PAH3" and resid 526 and name HG2 ))
OR { 22}
(( segid "PAH3" and resid 526 and name HD1 ))
(( segid "PAH3" and resid 526 and name HG1 ))
OR { 22}
(( segid "PAH3" and resid 526 and name HB2 ))
(( segid "PAH3" and resid 526 and name HG2 ))
ASSI { 23}
(( segid "PAH3" and resid 526 and name HB1 ))
(( segid "PAH3" and resid 526 and name HG2 ))
2.400 0.700 0.700 peak 23 spectrum 1 weight 0.10000E+01 volume 0.67693E-02 ppm1 1.256 ppm2 1.681 CV 1
OR { 23}
(( segid "PAH3" and resid 526 and name HB1 ))
(( segid "PAH3" and resid 526 and name HG1 ))
ASSI { 25}
(( segid "PAH3" and resid 526 and name HA ))
(( segid "PAH3" and resid 526 and name HG2 ))
2.800 1.000 1.000 peak 25 spectrum 1 weight 0.10000E+01 volume 0.36311E-02 ppm1 1.258 ppm2 4.224 CV 1
OR { 25}
(( segid "PAH3" and resid 526 and name HA ))
(( segid "PAH3" and resid 526 and name HG1 ))
ASSI { 27}
(( segid "PAH3" and resid 526 and name HG1 ))
(( segid "PAH3" and resid 526 and name HB2 ))
2.300 0.700 0.700 peak 27 spectrum 1 weight 0.10000E+01 volume 0.79001E-02 ppm1 1.540 ppm2 1.260 CV 1
OR { 27}
(( segid "PAH3" and resid 526 and name HG2 ))
(( segid "PAH3" and resid 526 and name HB2 ))
ASSI { 28}
(( segid "PAH3" and resid 526 and name HA ))
(( segid "PAH3" and resid 526 and name HB2 ))
2.900 1.000 1.000 peak 28 spectrum 1 weight 0.10000E+01 volume 0.30585E-02 ppm1 1.540 ppm2 4.224 CV 1
ASSI { 30}
( segid "PAH3" and resid 525 and name HD% )
(( segid "PAH3" and resid 526 and name HA ))
3.600 1.600 1.600 peak 30 spectrum 1 weight 0.10000E+01 volume 0.69360E-03 ppm1 4.222 ppm2 -1.111 CV 1
ASSI { 33}
(( segid "PAH3" and resid 526 and name HB1 ))
(( segid "PAH3" and resid 526 and name HA ))
2.400 0.700 0.700 peak 33 spectrum 1 weight 0.10000E+01 volume 0.68273E-02 ppm1 4.227 ppm2 1.679 CV 1
ASSI { 36}
(( segid "PAH3" and resid 525 and name HB2 ))
(( segid "PAH3" and resid 525 and name HA ))
2.300 0.700 0.700 peak 36 spectrum 1 weight 0.10000E+01 volume 0.61750E-02 ppm1 4.316 ppm2 2.555 CV 1
ASSI { 37}
(( segid "PAH3" and resid 525 and name HB1 ))
(( segid "PAH3" and resid 525 and name HA ))
2.900 1.000 1.000 peak 37 spectrum 1 weight 0.10000E+01 volume 0.34716E-02 ppm1 4.316 ppm2 2.759 CV 1
ASSI { 38}
(( segid "PAH3" and resid 524 and name HA2 ))
(( segid "PAH3" and resid 524 and name HA1 ))
1.900 0.400 0.400 peak 38 spectrum 1 weight 0.10000E+01 volume 0.17612E-01 ppm1 3.870 ppm2 3.677 CV 1
ASSI { 41}
(( segid "PAH3" and resid 523 and name HG ))
( segid "PAH3" and resid 523 and name HD2%)
2.000 0.500 0.500 peak 41 spectrum 1 weight 0.10000E+01 volume 0.20148E-01 ppm1 0.360 ppm2 1.358 CV 1
ASSI { 42}
(( segid "PAH3" and resid 523 and name HB1 ))
( segid "PAH3" and resid 523 and name HD2%)
2.500 0.800 0.800 peak 42 spectrum 1 weight 0.10000E+01 volume 0.52618E-02 ppm1 0.358 ppm2 1.576 CV 1
ASSI { 43}
(( segid "PAH3" and resid 498 and name HB2 ))
( segid "PAH3" and resid 523 and name HD2%)
4.300 2.300 1.700 peak 43 spectrum 1 weight 0.10000E+01 volume 0.49791E-03 ppm1 0.359 ppm2 1.813 CV 1
ASSI { 46}
( segid "PAH3" and resid 522 and name HD% )
( segid "PAH3" and resid 523 and name HD1%)
4.100 2.100 1.900 peak 46 spectrum 1 weight 0.10000E+01 volume 0.29136E-03 ppm1 0.497 ppm2 -1.175 CV 1
ASSI { 47}
( segid "PAH3" and resid 523 and name HD2%)
( segid "PAH3" and resid 523 and name HD1%)
1.900 0.500 0.500 peak 47 spectrum 1 weight 0.10000E+01 volume 0.25367E-01 ppm1 0.497 ppm2 0.356 CV 1
ASSI { 48}
(( segid "PAH3" and resid 523 and name HG ))
( segid "PAH3" and resid 523 and name HD1%)
2.300 0.700 0.700 peak 48 spectrum 1 weight 0.10000E+01 volume 0.78276E-02 ppm1 0.496 ppm2 1.355 CV 1
ASSI { 49}
(( segid "PAH3" and resid 523 and name HB1 ))
( segid "PAH3" and resid 523 and name HD1%)
3.100 1.200 1.200 peak 49 spectrum 1 weight 0.10000E+01 volume 0.28556E-02 ppm1 0.496 ppm2 1.578 CV 1
ASSI { 51}
(( segid "PAH3" and resid 498 and name HG2 ))
( segid "PAH3" and resid 523 and name HD1%)
3.400 1.400 1.400 peak 51 spectrum 1 weight 0.10000E+01 volume 0.15583E-02 ppm1 0.493 ppm2 1.737 CV 1
ASSI { 53}
(( segid "PAH3" and resid 523 and name HA ))
( segid "PAH3" and resid 523 and name HD1%)
2.500 0.800 0.800 peak 53 spectrum 1 weight 0.10000E+01 volume 0.62185E-02 ppm1 0.494 ppm2 3.694 CV 1
ASSI { 55}
(( segid "PAH3" and resid 523 and name HB1 ))
(( segid "PAH3" and resid 523 and name HG ))
2.800 1.000 1.000 peak 55 spectrum 1 weight 0.10000E+01 volume 0.21380E-02 ppm1 1.366 ppm2 1.580 CV 1
ASSI { 56}
( segid "PAH3" and resid 523 and name HD2%)
(( segid "PAH3" and resid 523 and name HB2 ))
3.100 1.200 1.200 peak 56 spectrum 1 weight 0.10000E+01 volume 0.17684E-02 ppm1 1.305 ppm2 0.359 CV 1
ASSI { 58}
(( segid "PAH3" and resid 523 and name HB2 ))
(( segid "PAH3" and resid 523 and name HA ))
2.600 0.900 0.900 peak 58 spectrum 1 weight 0.10000E+01 volume 0.45152E-02 ppm1 3.692 ppm2 1.327 CV 1
OR { 58}
(( segid "PAH3" and resid 523 and name HG ))
(( segid "PAH3" and resid 523 and name HA ))
ASSI { 59}
(( segid "PAH3" and resid 523 and name HB1 ))
(( segid "PAH3" and resid 523 and name HA ))
2.800 1.000 1.000 peak 59 spectrum 1 weight 0.10000E+01 volume 0.23989E-02 ppm1 3.698 ppm2 1.577 CV 1
ASSI { 61}
(( segid "PAH3" and resid 522 and name HB1 ))
(( segid "PAH3" and resid 522 and name HA ))
3.100 1.200 1.200 peak 61 spectrum 1 weight 0.10000E+01 volume 0.26817E-02 ppm1 3.815 ppm2 2.522 CV 1
ASSI { 62}
(( segid "PAH3" and resid 521 and name HB2 ))
(( segid "PAH3" and resid 521 and name HB1 ))
1.600 0.300 0.600 peak 62 spectrum 1 weight 0.10000E+01 volume 0.36818E-01 ppm1 2.708 ppm2 2.550 CV 1
ASSI { 64}
(( segid "PAH3" and resid 518 and name HA ))
(( segid "PAH3" and resid 521 and name HB2 ))
3.300 1.300 1.300 peak 64 spectrum 1 weight 0.10000E+01 volume 0.18482E-02 ppm1 2.555 ppm2 4.027 CV 1
ASSI { 68}
(( segid "PAH3" and resid 521 and name HB2 ))
(( segid "PAH3" and resid 521 and name HA ))
2.400 0.700 0.700 peak 68 spectrum 1 weight 0.10000E+01 volume 0.68490E-02 ppm1 4.351 ppm2 2.551 CV 1
ASSI { 69}
(( segid "PAH3" and resid 521 and name HB1 ))
(( segid "PAH3" and resid 521 and name HA ))
2.600 0.900 0.900 peak 69 spectrum 1 weight 0.10000E+01 volume 0.68635E-02 ppm1 4.350 ppm2 2.708 CV 1
ASSI { 71}
(( segid "PAH3" and resid 519 and name HB1 ))
(( segid "PAH3" and resid 519 and name HA ))
2.500 0.800 0.800 peak 71 spectrum 1 weight 0.10000E+01 volume 0.47255E-02 ppm1 3.885 ppm2 3.605 CV 1
OR { 71}
(( segid "PAH3" and resid 519 and name HB2 ))
(( segid "PAH3" and resid 519 and name HA ))
ASSI { 72}
(( segid "PAH3" and resid 521 and name HB1 ))
(( segid "PAH3" and resid 518 and name HA ))
2.900 1.100 1.100 peak 72 spectrum 1 weight 0.10000E+01 volume 0.18699E-02 ppm1 4.037 ppm2 2.705 CV 1
ASSI { 73}
(( segid "PAH3" and resid 518 and name HB1 ))
(( segid "PAH3" and resid 518 and name HA ))
3.000 1.100 1.100 peak 73 spectrum 1 weight 0.10000E+01 volume 0.28846E-02 ppm1 4.033 ppm2 3.637 CV 1
ASSI { 74}
(( segid "PAH3" and resid 517 and name HB1 ))
(( segid "PAH3" and resid 517 and name HB2 ))
1.600 0.300 0.600 peak 74 spectrum 1 weight 0.10000E+01 volume 0.32397E-01 ppm1 2.840 ppm2 3.026 CV 1
ASSI { 75}
(( segid "PAH3" and resid 514 and name HA ))
(( segid "PAH3" and resid 517 and name HB2 ))
3.000 1.100 1.100 peak 75 spectrum 1 weight 0.10000E+01 volume 0.23048E-02 ppm1 2.841 ppm2 4.332 CV 1
ASSI { 78}
(( segid "PAH3" and resid 517 and name HA ))
(( segid "PAH3" and resid 517 and name HB1 ))
2.700 0.900 0.900 peak 78 spectrum 1 weight 0.10000E+01 volume 0.50371E-02 ppm1 3.018 ppm2 4.410 CV 1
ASSI { 79}
(( segid "PAH3" and resid 520 and name HB2 ))
(( segid "PAH3" and resid 517 and name HA ))
2.700 0.900 0.900 peak 79 spectrum 1 weight 0.10000E+01 volume 0.21018E-02 ppm1 4.413 ppm2 1.861 CV 1
ASSI { 80}
(( segid "PAH3" and resid 520 and name HD2 ))
(( segid "PAH3" and resid 517 and name HA ))
3.700 1.700 1.700 peak 80 spectrum 1 weight 0.10000E+01 volume 0.60518E-03 ppm1 4.411 ppm2 1.211 CV 1
ASSI { 81}
(( segid "PAH3" and resid 517 and name HB2 ))
(( segid "PAH3" and resid 517 and name HA ))
2.400 0.700 0.700 peak 81 spectrum 1 weight 0.10000E+01 volume 0.61823E-02 ppm1 4.415 ppm2 2.837 CV 1
ASSI { 84}
(( segid "PAH3" and resid 519 and name HB1 ))
(( segid "PAH3" and resid 516 and name HA ))
3.400 1.500 1.500 peak 84 spectrum 1 weight 0.10000E+01 volume 0.73201E-03 ppm1 4.881 ppm2 3.604 CV 1
OR { 84}
(( segid "PAH3" and resid 519 and name HB2 ))
(( segid "PAH3" and resid 516 and name HA ))
ASSI { 86}
( segid "PAH3" and resid 515 and name HD1%)
( segid "PAH3" and resid 515 and name HD2%)
2.200 0.600 0.600 peak 86 spectrum 1 weight 0.10000E+01 volume 0.11379E-01 ppm1 0.448 ppm2 0.717 CV 1
ASSI { 89}
(( segid "PAH3" and resid 515 and name HG ))
( segid "PAH3" and resid 515 and name HD2%)
2.400 0.700 0.700 peak 89 spectrum 1 weight 0.10000E+01 volume 0.48415E-02 ppm1 0.447 ppm2 1.848 CV 1
ASSI { 92}
(( segid "PAH3" and resid 512 and name HB2 ))
( segid "PAH3" and resid 515 and name HD2%)
3.100 1.200 1.200 peak 92 spectrum 1 weight 0.10000E+01 volume 0.14568E-02 ppm1 0.451 ppm2 3.091 CV 1
ASSI { 93}
(( segid "PAH3" and resid 512 and name HB1 ))
( segid "PAH3" and resid 515 and name HD2%)
3.200 1.300 1.300 peak 93 spectrum 1 weight 0.10000E+01 volume 0.15075E-02 ppm1 0.448 ppm2 3.218 CV 1
ASSI { 97}
(( segid "PAH3" and resid 515 and name HG ))
( segid "PAH3" and resid 515 and name HD1%)
2.100 0.600 0.600 peak 97 spectrum 1 weight 0.10000E+01 volume 0.98566E-02 ppm1 0.718 ppm2 1.843 CV 1
ASSI { 98}
(( segid "PAH3" and resid 515 and name HB1 ))
( segid "PAH3" and resid 515 and name HD1%)
3.900 1.900 1.900 peak 98 spectrum 1 weight 0.10000E+01 volume 0.89150E-03 ppm1 0.722 ppm2 2.304 CV 1
ASSI { 99}
(( segid "PAH3" and resid 470 and name HE1 ))
( segid "PAH3" and resid 515 and name HD1%)
3.500 1.600 1.600 peak 99 spectrum 1 weight 0.10000E+01 volume 0.39065E-03 ppm1 0.716 ppm2 2.795 CV 1
OR { 99}
(( segid "PAH3" and resid 470 and name HE2 ))
( segid "PAH3" and resid 515 and name HD1%)
ASSI { 100}
( segid "PAH3" and resid 467 and name HD% )
( segid "PAH3" and resid 515 and name HD1%)
2.700 0.900 0.900 peak 100 spectrum 1 weight 0.10000E+01 volume 0.25802E-02 ppm1 0.719 ppm2 5.890 CV 1
ASSI { 102}
(( segid "PAH3" and resid 514 and name HB2 ))
(( segid "PAH3" and resid 514 and name HG1 ))
2.100 0.500 0.500 peak 102 spectrum 1 weight 0.10000E+01 volume 0.19931E-01 ppm1 2.473 ppm2 2.173 CV 1
OR { 102}
(( segid "PAH3" and resid 514 and name HB1 ))
(( segid "PAH3" and resid 514 and name HG1 ))
ASSI { 103}
(( segid "PAH3" and resid 514 and name HA ))
(( segid "PAH3" and resid 514 and name HG2 ))
3.400 1.400 1.400 peak 103 spectrum 1 weight 0.10000E+01 volume 0.15438E-02 ppm1 2.380 ppm2 4.332 CV 1
ASSI { 104}
(( segid "PAH3" and resid 514 and name HA ))
(( segid "PAH3" and resid 514 and name HG1 ))
3.200 1.300 1.300 peak 104 spectrum 1 weight 0.10000E+01 volume 0.18264E-02 ppm1 2.469 ppm2 4.332 CV 1
ASSI { 105}
(( segid "PAH3" and resid 514 and name HG2 ))
(( segid "PAH3" and resid 514 and name HB1 ))
2.000 0.500 0.500 peak 105 spectrum 1 weight 0.10000E+01 volume 0.20728E-01 ppm1 2.171 ppm2 2.373 CV 1
OR { 105}
(( segid "PAH3" and resid 514 and name HG2 ))
(( segid "PAH3" and resid 514 and name HB2 ))
ASSI { 106}
(( segid "PAH3" and resid 514 and name HB1 ))
(( segid "PAH3" and resid 514 and name HA ))
2.200 0.600 0.600 peak 106 spectrum 1 weight 0.10000E+01 volume 0.13190E-01 ppm1 4.332 ppm2 2.171 CV 1
OR { 106}
(( segid "PAH3" and resid 514 and name HB2 ))
(( segid "PAH3" and resid 514 and name HA ))
ASSI { 110}
(( segid "PAH3" and resid 517 and name HB1 ))
(( segid "PAH3" and resid 514 and name HA ))
2.800 1.000 1.000 peak 110 spectrum 1 weight 0.10000E+01 volume 0.25294E-02 ppm1 4.330 ppm2 3.021 CV 1
ASSI { 111}
(( segid "PAH3" and resid 513 and name HG2 ))
(( segid "PAH3" and resid 513 and name HD2 ))
2.700 0.900 0.900 peak 111 spectrum 1 weight 0.10000E+01 volume 0.24642E-02 ppm1 3.574 ppm2 2.081 CV 1
ASSI { 113}
(( segid "PAH3" and resid 513 and name HG1 ))
(( segid "PAH3" and resid 513 and name HD1 ))
2.800 1.000 1.000 peak 113 spectrum 1 weight 0.10000E+01 volume 0.17177E-02 ppm1 3.888 ppm2 2.215 CV 1
ASSI { 114}
(( segid "PAH3" and resid 513 and name HD2 ))
(( segid "PAH3" and resid 513 and name HD1 ))
1.900 0.400 0.400 peak 114 spectrum 1 weight 0.10000E+01 volume 0.12756E-01 ppm1 3.886 ppm2 3.576 CV 1
ASSI { 116}
(( segid "PAH3" and resid 512 and name HA ))
(( segid "PAH3" and resid 513 and name HD2 ))
2.500 0.800 0.800 peak 116 spectrum 1 weight 0.10000E+01 volume 0.32469E-02 ppm1 3.574 ppm2 5.214 CV 1
ASSI { 117}
(( segid "PAH3" and resid 512 and name HA ))
(( segid "PAH3" and resid 513 and name HD1 ))
2.800 1.000 1.000 peak 117 spectrum 1 weight 0.10000E+01 volume 0.36601E-02 ppm1 3.882 ppm2 5.214 CV 1
ASSI { 118}
(( segid "PAH3" and resid 513 and name HG2 ))
(( segid "PAH3" and resid 513 and name HG1 ))
1.700 0.400 0.500 peak 118 spectrum 1 weight 0.10000E+01 volume 0.24714E-01 ppm1 2.214 ppm2 2.072 CV 1
OR { 118}
(( segid "PAH3" and resid 513 and name HB2 ))
(( segid "PAH3" and resid 513 and name HG1 ))
ASSI { 119}
(( segid "PAH3" and resid 513 and name HB1 ))
(( segid "PAH3" and resid 513 and name HG2 ))
2.900 1.000 1.000 peak 119 spectrum 1 weight 0.10000E+01 volume 0.46747E-02 ppm1 2.077 ppm2 2.505 CV 1
ASSI { 121}
(( segid "PAH3" and resid 513 and name HA ))
(( segid "PAH3" and resid 513 and name HG1 ))
4.700 2.800 1.300 peak 121 spectrum 1 weight 0.10000E+01 volume 0.31600E-03 ppm1 2.210 ppm2 4.330 CV 1
ASSI { 123}
( segid "PAH3" and resid 508 and name HD% )
( segid "PAH3" and resid 505 and name HG1%)
3.800 1.800 1.800 peak 123 spectrum 1 weight 0.10000E+01 volume 0.11814E-02 ppm1 1.099 ppm2 -0.775 CV 1
ASSI { 124}
(( segid "PAH3" and resid 513 and name HB2 ))
(( segid "PAH3" and resid 513 and name HB1 ))
1.800 0.400 0.400 peak 124 spectrum 1 weight 0.10000E+01 volume 0.19207E-01 ppm1 2.507 ppm2 2.090 CV 1
ASSI { 125}
( segid "PAH3" and resid 508 and name HD% )
( segid "PAH3" and resid 475 and name HD1%)
2.900 1.000 1.000 peak 125 spectrum 1 weight 0.10000E+01 volume 0.42978E-02 ppm1 0.994 ppm2 -0.793 CV 1
ASSI { 126}
(( segid "PAH3" and resid 513 and name HG1 ))
(( segid "PAH3" and resid 513 and name HB1 ))
2.600 0.900 0.900 peak 126 spectrum 1 weight 0.10000E+01 volume 0.26889E-02 ppm1 2.510 ppm2 2.211 CV 1
ASSI { 127}
(( segid "PAH3" and resid 513 and name HB2 ))
(( segid "PAH3" and resid 513 and name HA ))
2.900 1.000 1.000 peak 127 spectrum 1 weight 0.10000E+01 volume 0.39355E-02 ppm1 4.327 ppm2 2.091 CV 1
ASSI { 128}
(( segid "PAH3" and resid 513 and name HB1 ))
(( segid "PAH3" and resid 513 and name HA ))
2.500 0.800 0.800 peak 128 spectrum 1 weight 0.10000E+01 volume 0.43051E-02 ppm1 4.327 ppm2 2.500 CV 1
ASSI { 129}
(( segid "PAH3" and resid 513 and name HD2 ))
(( segid "PAH3" and resid 513 and name HA ))
4.000 2.000 2.000 peak 129 spectrum 1 weight 0.10000E+01 volume 0.58779E-03 ppm1 4.328 ppm2 3.578 CV 1
ASSI { 130}
(( segid "PAH3" and resid 516 and name HB1 ))
(( segid "PAH3" and resid 513 and name HA ))
2.600 0.900 0.900 peak 130 spectrum 1 weight 0.10000E+01 volume 0.38557E-02 ppm1 4.329 ppm2 3.420 CV 1
OR { 130}
(( segid "PAH3" and resid 516 and name HB2 ))
(( segid "PAH3" and resid 513 and name HA ))
ASSI { 131}
(( segid "PAH3" and resid 512 and name HB1 ))
(( segid "PAH3" and resid 512 and name HA ))
2.700 0.900 0.900 peak 131 spectrum 1 weight 0.10000E+01 volume 0.20511E-02 ppm1 5.216 ppm2 3.211 CV 1
ASSI { 134}
(( segid "PAH3" and resid 511 and name HG2 ))
(( segid "PAH3" and resid 511 and name HE2 ))
2.900 1.000 1.000 peak 134 spectrum 1 weight 0.10000E+01 volume 0.29426E-02 ppm1 2.873 ppm2 0.831 CV 1
OR { 134}
(( segid "PAH3" and resid 511 and name HG2 ))
(( segid "PAH3" and resid 511 and name HE1 ))
ASSI { 135}
(( segid "PAH3" and resid 511 and name HG1 ))
(( segid "PAH3" and resid 511 and name HE1 ))
2.900 1.100 1.100 peak 135 spectrum 1 weight 0.10000E+01 volume 0.33774E-02 ppm1 2.872 ppm2 0.966 CV 1
OR { 135}
(( segid "PAH3" and resid 511 and name HG1 ))
(( segid "PAH3" and resid 511 and name HE2 ))
ASSI { 136}
(( segid "PAH3" and resid 511 and name HB2 ))
(( segid "PAH3" and resid 511 and name HE1 ))
3.500 1.500 1.500 peak 136 spectrum 1 weight 0.10000E+01 volume 0.12394E-02 ppm1 2.873 ppm2 1.114 CV 1
OR { 136}
(( segid "PAH3" and resid 511 and name HB2 ))
(( segid "PAH3" and resid 511 and name HE2 ))
ASSI { 137}
(( segid "PAH3" and resid 511 and name HG2 ))
(( segid "PAH3" and resid 511 and name HD2 ))
2.400 0.700 0.700 peak 137 spectrum 1 weight 0.10000E+01 volume 0.79001E-02 ppm1 1.476 ppm2 0.835 CV 1
OR { 137}
(( segid "PAH3" and resid 511 and name HG2 ))
(( segid "PAH3" and resid 511 and name HD1 ))
ASSI { 138}
(( segid "PAH3" and resid 511 and name HB2 ))
(( segid "PAH3" and resid 511 and name HD1 ))
2.600 0.900 0.900 peak 138 spectrum 1 weight 0.10000E+01 volume 0.36746E-02 ppm1 1.479 ppm2 1.114 CV 1
OR { 138}
(( segid "PAH3" and resid 511 and name HB2 ))
(( segid "PAH3" and resid 511 and name HD2 ))
ASSI { 139}
(( segid "PAH3" and resid 511 and name HA ))
(( segid "PAH3" and resid 511 and name HD1 ))
3.700 1.800 1.800 peak 139 spectrum 1 weight 0.10000E+01 volume 0.11741E-02 ppm1 1.481 ppm2 4.006 CV 1
OR { 139}
(( segid "PAH3" and resid 511 and name HA ))
(( segid "PAH3" and resid 511 and name HD2 ))
ASSI { 140}
(( segid "PAH3" and resid 511 and name HB1 ))
(( segid "PAH3" and resid 511 and name HG2 ))
2.500 0.800 0.800 peak 140 spectrum 1 weight 0.10000E+01 volume 0.40804E-02 ppm1 0.832 ppm2 1.224 CV 1
ASSI { 141}
(( segid "PAH3" and resid 511 and name HB1 ))
(( segid "PAH3" and resid 511 and name HG1 ))
2.600 0.800 0.800 peak 141 spectrum 1 weight 0.10000E+01 volume 0.59793E-02 ppm1 0.958 ppm2 1.219 CV 1
ASSI { 142}
(( segid "PAH3" and resid 511 and name HB2 ))
(( segid "PAH3" and resid 511 and name HG2 ))
2.400 0.700 0.700 peak 142 spectrum 1 weight 0.10000E+01 volume 0.81900E-02 ppm1 0.833 ppm2 1.114 CV 1
ASSI { 144}
(( segid "PAH3" and resid 511 and name HD1 ))
(( segid "PAH3" and resid 511 and name HG1 ))
2.500 0.800 0.800 peak 144 spectrum 1 weight 0.10000E+01 volume 0.52763E-02 ppm1 0.958 ppm2 1.473 CV 1
OR { 144}
(( segid "PAH3" and resid 511 and name HD2 ))
(( segid "PAH3" and resid 511 and name HG1 ))
ASSI { 147}
(( segid "PAH3" and resid 511 and name HA ))
(( segid "PAH3" and resid 511 and name HG2 ))
3.500 1.600 1.600 peak 147 spectrum 1 weight 0.10000E+01 volume 0.13843E-02 ppm1 0.830 ppm2 4.007 CV 1
ASSI { 152}
(( segid "PAH3" and resid 511 and name HD1 ))
(( segid "PAH3" and resid 511 and name HB1 ))
3.100 1.200 1.200 peak 152 spectrum 1 weight 0.10000E+01 volume 0.28701E-02 ppm1 1.231 ppm2 1.471 CV 1
OR { 152}
(( segid "PAH3" and resid 511 and name HD2 ))
(( segid "PAH3" and resid 511 and name HB1 ))
ASSI { 156}
(( segid "PAH3" and resid 511 and name HG1 ))
(( segid "PAH3" and resid 511 and name HA ))
2.700 0.900 0.900 peak 156 spectrum 1 weight 0.10000E+01 volume 0.31890E-02 ppm1 4.011 ppm2 0.961 CV 1
ASSI { 157}
(( segid "PAH3" and resid 511 and name HB2 ))
(( segid "PAH3" and resid 511 and name HA ))
2.700 0.900 0.900 peak 157 spectrum 1 weight 0.10000E+01 volume 0.55372E-02 ppm1 4.006 ppm2 1.119 CV 1
ASSI { 158}
(( segid "PAH3" and resid 511 and name HB1 ))
(( segid "PAH3" and resid 511 and name HA ))
2.400 0.700 0.700 peak 158 spectrum 1 weight 0.10000E+01 volume 0.63272E-02 ppm1 4.007 ppm2 1.229 CV 1
ASSI { 160}
(( segid "PAH3" and resid 513 and name HD2 ))
(( segid "PAH3" and resid 511 and name HA ))
3.300 1.400 1.400 peak 160 spectrum 1 weight 0.10000E+01 volume 0.57764E-03 ppm1 4.006 ppm2 3.581 CV 1
ASSI { 161}
( segid "PAH3" and resid 471 and name HG2%)
( segid "PAH3" and resid 509 and name HD2%)
2.500 0.800 0.800 peak 161 spectrum 1 weight 0.10000E+01 volume 0.54212E-02 ppm1 0.482 ppm2 -0.014 CV 1
ASSI { 162}
( segid "PAH3" and resid 471 and name HG1%)
( segid "PAH3" and resid 509 and name HD2%)
2.500 0.800 0.800 peak 162 spectrum 1 weight 0.10000E+01 volume 0.54212E-02 ppm1 0.484 ppm2 0.200 CV 1
ASSI { 163}
(( segid "PAH3" and resid 511 and name HD1 ))
( segid "PAH3" and resid 509 and name HD2%)
3.200 3.200 2.800 peak 163 spectrum 1 weight 0.10000E+01 volume 0.20076E-02 ppm1 0.486 ppm2 1.468 CV 1
OR { 163}
(( segid "PAH3" and resid 511 and name HD2 ))
( segid "PAH3" and resid 509 and name HD2%)
ASSI { 164}
(( segid "PAH3" and resid 509 and name HG ))
( segid "PAH3" and resid 509 and name HD2%)
2.400 0.700 0.700 peak 164 spectrum 1 weight 0.10000E+01 volume 0.48631E-02 ppm1 0.485 ppm2 1.388 CV 1
ASSI { 165}
(( segid "PAH3" and resid 508 and name HB2 ))
( segid "PAH3" and resid 509 and name HD2%)
3.900 1.900 1.900 peak 165 spectrum 1 weight 0.10000E+01 volume 0.55227E-03 ppm1 0.486 ppm2 2.967 CV 1
ASSI { 167}
(( segid "PAH3" and resid 509 and name HB1 ))
( segid "PAH3" and resid 509 and name HD1%)
2.900 1.100 1.100 peak 167 spectrum 1 weight 0.10000E+01 volume 0.20583E-02 ppm1 0.617 ppm2 1.171 CV 1
ASSI { 168}
( segid "PAH3" and resid 505 and name HG1%)
( segid "PAH3" and resid 509 and name HD1%)
2.500 0.800 0.800 peak 168 spectrum 1 weight 0.10000E+01 volume 0.45152E-02 ppm1 0.618 ppm2 1.101 CV 1
ASSI { 169}
(( segid "PAH3" and resid 509 and name HG ))
( segid "PAH3" and resid 509 and name HD1%)
2.700 0.900 0.900 peak 169 spectrum 1 weight 0.10000E+01 volume 0.27251E-02 ppm1 0.617 ppm2 1.389 CV 1
ASSI { 170}
(( segid "PAH3" and resid 519 and name HB1 ))
( segid "PAH3" and resid 509 and name HD1%)
3.100 1.200 1.200 peak 170 spectrum 1 weight 0.10000E+01 volume 0.13625E-02 ppm1 0.616 ppm2 3.594 CV 1
OR { 170}
(( segid "PAH3" and resid 519 and name HB2 ))
( segid "PAH3" and resid 509 and name HD1%)
ASSI { 171}
(( segid "PAH3" and resid 516 and name HA ))
( segid "PAH3" and resid 509 and name HD1%)
3.100 1.200 1.200 peak 171 spectrum 1 weight 0.10000E+01 volume 0.14423E-02 ppm1 0.617 ppm2 4.889 CV 1
ASSI { 174}
(( segid "PAH3" and resid 458 and name HG1 ))
(( segid "PAH3" and resid 458 and name HA ))
3.100 1.200 1.200 peak 174 spectrum 1 weight 0.10000E+01 volume 0.17829E-02 ppm1 4.284 ppm2 1.331 CV 1
OR { 174}
(( segid "PAH3" and resid 458 and name HG2 ))
(( segid "PAH3" and resid 458 and name HA ))
ASSI { 175}
( segid "PAH3" and resid 509 and name HD1%)
(( segid "PAH3" and resid 509 and name HB2 ))
3.200 1.300 1.300 peak 175 spectrum 1 weight 0.10000E+01 volume 0.10002E-02 ppm1 0.800 ppm2 0.619 CV 1
ASSI { 176}
(( segid "PAH3" and resid 458 and name HG1 ))
(( segid "PAH3" and resid 458 and name HD2 ))
2.100 0.600 0.600 peak 176 spectrum 1 weight 0.10000E+01 volume 0.14423E-01 ppm1 1.639 ppm2 1.352 CV 1
OR { 176}
(( segid "PAH3" and resid 458 and name HG2 ))
(( segid "PAH3" and resid 458 and name HD1 ))
OR { 176}
(( segid "PAH3" and resid 458 and name HG1 ))
(( segid "PAH3" and resid 458 and name HD1 ))
OR { 176}
(( segid "PAH3" and resid 458 and name HG2 ))
(( segid "PAH3" and resid 458 and name HD2 ))
ASSI { 177}
(( segid "PAH3" and resid 509 and name HB2 ))
(( segid "PAH3" and resid 509 and name HB1 ))
2.300 0.600 0.600 peak 177 spectrum 1 weight 0.10000E+01 volume 0.32687E-02 ppm1 1.177 ppm2 0.798 CV 1
ASSI { 179}
(( segid "PAH3" and resid 509 and name HB1 ))
(( segid "PAH3" and resid 509 and name HA ))
2.700 0.900 0.900 peak 179 spectrum 1 weight 0.10000E+01 volume 0.18989E-02 ppm1 4.479 ppm2 1.160 CV 1
ASSI { 181}
(( segid "PAH3" and resid 508 and name HB2 ))
(( segid "PAH3" and resid 508 and name HA ))
2.900 1.100 1.100 peak 181 spectrum 1 weight 0.10000E+01 volume 0.32179E-02 ppm1 4.370 ppm2 2.960 CV 1
ASSI { 182}
(( segid "PAH3" and resid 508 and name HB1 ))
(( segid "PAH3" and resid 508 and name HA ))
2.900 1.000 1.000 peak 182 spectrum 1 weight 0.10000E+01 volume 0.16959E-02 ppm1 4.368 ppm2 3.152 CV 1
ASSI { 183}
(( segid "PAH3" and resid 506 and name HB1 ))
(( segid "PAH3" and resid 507 and name HD2 ))
3.700 1.700 1.700 peak 183 spectrum 1 weight 0.10000E+01 volume 0.19134E-02 ppm1 3.677 ppm2 4.264 CV 1
OR { 183}
(( segid "PAH3" and resid 506 and name HB2 ))
(( segid "PAH3" and resid 507 and name HD2 ))
ASSI { 184}
( segid "PAH3" and resid 461 and name HG2%)
(( segid "PAH3" and resid 461 and name HA ))
2.300 0.700 0.700 peak 184 spectrum 1 weight 0.10000E+01 volume 0.10147E-01 ppm1 4.253 ppm2 0.978 CV 1
OR { 184}
( segid "PAH3" and resid 461 and name HG1%)
(( segid "PAH3" and resid 461 and name HA ))
ASSI { 185}
(( segid "PAH3" and resid 507 and name HB2 ))
(( segid "PAH3" and resid 507 and name HA ))
3.000 1.100 1.100 peak 185 spectrum 1 weight 0.10000E+01 volume 0.33267E-02 ppm1 4.258 ppm2 1.077 CV 1
ASSI { 186}
( segid "PAH3" and resid 461 and name HG2%)
(( segid "PAH3" and resid 461 and name HB ))
2.100 0.600 0.600 peak 186 spectrum 1 weight 0.10000E+01 volume 0.15655E-01 ppm1 2.173 ppm2 0.981 CV 1
OR { 186}
( segid "PAH3" and resid 461 and name HG1%)
(( segid "PAH3" and resid 461 and name HB ))
ASSI { 187}
(( segid "PAH3" and resid 503 and name HA ))
(( segid "PAH3" and resid 506 and name HB2 ))
2.100 0.600 0.600 peak 187 spectrum 1 weight 0.10000E+01 volume 0.11814E-01 ppm1 4.257 ppm2 4.126 CV 1
OR { 187}
(( segid "PAH3" and resid 503 and name HA ))
(( segid "PAH3" and resid 506 and name HB1 ))
ASSI { 188}
( segid "PAH3" and resid 508 and name HD% )
( segid "PAH3" and resid 505 and name HG2%)
3.800 1.800 1.800 peak 188 spectrum 1 weight 0.10000E+01 volume 0.70664E-03 ppm1 1.041 ppm2 -0.755 CV 1
ASSI { 189}
(( segid "PAH3" and resid 461 and name HA ))
( segid "PAH3" and resid 461 and name HG2%)
2.900 1.000 1.000 peak 189 spectrum 1 weight 0.10000E+01 volume 0.31020E-02 ppm1 0.985 ppm2 4.255 CV 1
ASSI { 190}
(( segid "PAH3" and resid 460 and name HA1 ))
( segid "PAH3" and resid 461 and name HG2%)
4.200 2.200 1.800 peak 190 spectrum 1 weight 0.10000E+01 volume 0.49646E-03 ppm1 0.985 ppm2 4.005 CV 1
OR { 190}
(( segid "PAH3" and resid 460 and name HA2 ))
( segid "PAH3" and resid 461 and name HG2%)
ASSI { 191}
(( segid "PAH3" and resid 461 and name HB ))
( segid "PAH3" and resid 461 and name HG2%)
2.500 0.800 0.800 peak 191 spectrum 1 weight 0.10000E+01 volume 0.53487E-02 ppm1 0.985 ppm2 2.166 CV 1
ASSI { 192}
( segid "PAH3" and resid 463 and name HG2%)
(( segid "PAH3" and resid 463 and name HA ))
2.500 0.800 0.800 peak 192 spectrum 1 weight 0.10000E+01 volume 0.68563E-02 ppm1 4.308 ppm2 1.296 CV 1
ASSI { 193}
(( segid "PAH3" and resid 466 and name HB2 ))
(( segid "PAH3" and resid 463 and name HA ))
3.200 1.300 1.300 peak 193 spectrum 1 weight 0.10000E+01 volume 0.12321E-02 ppm1 4.311 ppm2 1.591 CV 1
ASSI { 194}
( segid "PAH3" and resid 466 and name HD1%)
(( segid "PAH3" and resid 463 and name HA ))
3.500 1.600 1.600 peak 194 spectrum 1 weight 0.10000E+01 volume 0.20221E-02 ppm1 4.304 ppm2 0.937 CV 1
ASSI { 195}
( segid "PAH3" and resid 463 and name HG2%)
(( segid "PAH3" and resid 463 and name HB ))
2.100 0.600 0.600 peak 195 spectrum 1 weight 0.10000E+01 volume 0.13698E-01 ppm1 4.449 ppm2 1.299 CV 1
ASSI { 199}
(( segid "PAH3" and resid 518 and name HH2 ))
(( segid "PAH3" and resid 464 and name HA ))
3.400 1.400 1.400 peak 199 spectrum 1 weight 0.10000E+01 volume 0.88425E-03 ppm1 4.077 ppm2 5.961 CV 1
ASSI { 200}
(( segid "PAH3" and resid 518 and name HZ2 ))
(( segid "PAH3" and resid 464 and name HA ))
3.200 1.300 1.300 peak 200 spectrum 1 weight 0.10000E+01 volume 0.10944E-02 ppm1 4.082 ppm2 -0.930 CV 1
ASSI { 201}
(( segid "PAH3" and resid 464 and name HA ))
(( segid "PAH3" and resid 464 and name HB2 ))
3.800 1.800 1.800 peak 201 spectrum 1 weight 0.10000E+01 volume 0.62475E-03 ppm1 2.058 ppm2 4.073 CV 1
ASSI { 203}
(( segid "PAH3" and resid 465 and name HB2 ))
(( segid "PAH3" and resid 465 and name HA ))
2.100 0.500 0.500 peak 203 spectrum 1 weight 0.10000E+01 volume 0.17394E-01 ppm1 4.318 ppm2 3.981 CV 1
OR { 203}
(( segid "PAH3" and resid 465 and name HB1 ))
(( segid "PAH3" and resid 465 and name HA ))
ASSI { 205}
(( segid "PAH3" and resid 466 and name HB1 ))
(( segid "PAH3" and resid 466 and name HA ))
2.700 0.900 0.900 peak 205 spectrum 1 weight 0.10000E+01 volume 0.54792E-02 ppm1 4.149 ppm2 1.752 CV 1
ASSI { 206}
(( segid "PAH3" and resid 466 and name HB2 ))
(( segid "PAH3" and resid 466 and name HA ))
2.300 0.700 0.700 peak 206 spectrum 1 weight 0.10000E+01 volume 0.71244E-02 ppm1 4.149 ppm2 1.599 CV 1
OR { 206}
(( segid "PAH3" and resid 466 and name HG ))
(( segid "PAH3" and resid 466 and name HA ))
ASSI { 207}
( segid "PAH3" and resid 466 and name HD1%)
(( segid "PAH3" and resid 466 and name HA ))
2.400 0.700 0.700 peak 207 spectrum 1 weight 0.10000E+01 volume 0.70882E-02 ppm1 4.149 ppm2 0.910 CV 1
ASSI { 208}
(( segid "PAH3" and resid 466 and name HA ))
(( segid "PAH3" and resid 466 and name HB2 ))
2.500 0.800 0.800 peak 208 spectrum 1 weight 0.10000E+01 volume 0.37253E-02 ppm1 1.580 ppm2 4.145 CV 1
ASSI { 211}
( segid "PAH3" and resid 466 and name HD2%)
(( segid "PAH3" and resid 466 and name HB1 ))
2.500 0.800 0.800 peak 211 spectrum 1 weight 0.10000E+01 volume 0.58054E-02 ppm1 1.754 ppm2 0.913 CV 1
OR { 211}
( segid "PAH3" and resid 466 and name HD1%)
(( segid "PAH3" and resid 466 and name HB1 ))
ASSI { 212}
( segid "PAH3" and resid 466 and name HD1%)
(( segid "PAH3" and resid 466 and name HB2 ))
2.500 0.800 0.800 peak 212 spectrum 1 weight 0.10000E+01 volume 0.49356E-02 ppm1 1.580 ppm2 0.912 CV 1
OR { 212}
( segid "PAH3" and resid 466 and name HD2%)
(( segid "PAH3" and resid 466 and name HB2 ))
ASSI { 217}
(( segid "PAH3" and resid 466 and name HB1 ))
( segid "PAH3" and resid 466 and name HD1%)
3.000 1.100 1.100 peak 217 spectrum 1 weight 0.10000E+01 volume 0.56169E-02 ppm1 0.941 ppm2 1.751 CV 1
ASSI { 218}
(( segid "PAH3" and resid 466 and name HG ))
( segid "PAH3" and resid 466 and name HD1%)
2.200 0.600 0.600 peak 218 spectrum 1 weight 0.10000E+01 volume 0.11814E-01 ppm1 0.942 ppm2 1.611 CV 1
OR { 218}
(( segid "PAH3" and resid 466 and name HB2 ))
( segid "PAH3" and resid 466 and name HD1%)
ASSI { 219}
(( segid "PAH3" and resid 470 and name HG2 ))
( segid "PAH3" and resid 466 and name HD1%)
3.300 1.400 1.400 peak 219 spectrum 1 weight 0.10000E+01 volume 0.20656E-02 ppm1 0.941 ppm2 1.301 CV 1
ASSI { 221}
(( segid "PAH3" and resid 463 and name HA ))
( segid "PAH3" and resid 466 and name HD2%)
3.500 1.500 1.500 peak 221 spectrum 1 weight 0.10000E+01 volume 0.11161E-02 ppm1 0.887 ppm2 4.303 CV 1
ASSI { 222}
(( segid "PAH3" and resid 466 and name HA ))
( segid "PAH3" and resid 466 and name HD2%)
3.000 1.100 1.100 peak 222 spectrum 1 weight 0.10000E+01 volume 0.76101E-02 ppm1 0.884 ppm2 4.144 CV 1
ASSI { 224}
(( segid "PAH3" and resid 466 and name HB1 ))
( segid "PAH3" and resid 466 and name HD2%)
2.700 0.900 0.900 peak 224 spectrum 1 weight 0.10000E+01 volume 0.36746E-02 ppm1 0.885 ppm2 1.752 CV 1
ASSI { 227}
(( segid "PAH3" and resid 501 and name HB2 ))
( segid "PAH3" and resid 501 and name HD1%)
2.700 0.900 0.900 peak 227 spectrum 1 weight 0.10000E+01 volume 0.27613E-02 ppm1 0.886 ppm2 1.426 CV 1
ASSI { 228}
(( segid "PAH3" and resid 467 and name HB2 ))
(( segid "PAH3" and resid 467 and name HA ))
2.300 0.700 0.700 peak 228 spectrum 1 weight 0.10000E+01 volume 0.68055E-02 ppm1 3.537 ppm2 1.568 CV 1
ASSI { 231}
(( segid "PAH3" and resid 467 and name HB1 ))
(( segid "PAH3" and resid 467 and name HB2 ))
2.000 0.500 0.500 peak 231 spectrum 1 weight 0.10000E+01 volume 0.84800E-02 ppm1 1.580 ppm2 2.137 CV 1
ASSI { 233}
(( segid "PAH3" and resid 468 and name HB1 ))
(( segid "PAH3" and resid 468 and name HA ))
2.400 0.700 0.700 peak 233 spectrum 1 weight 0.10000E+01 volume 0.56096E-02 ppm1 3.698 ppm2 3.584 CV 1
ASSI { 234}
(( segid "PAH3" and resid 471 and name HB ))
(( segid "PAH3" and resid 468 and name HA ))
2.400 0.700 0.700 peak 234 spectrum 1 weight 0.10000E+01 volume 0.48921E-02 ppm1 3.697 ppm2 1.777 CV 1
ASSI { 235}
(( segid "PAH3" and resid 469 and name HB1 ))
(( segid "PAH3" and resid 469 and name HA ))
2.700 0.900 0.900 peak 235 spectrum 1 weight 0.10000E+01 volume 0.58779E-02 ppm1 4.274 ppm2 2.740 CV 1
ASSI { 236}
(( segid "PAH3" and resid 469 and name HB2 ))
(( segid "PAH3" and resid 469 and name HA ))
2.400 0.700 0.700 peak 236 spectrum 1 weight 0.10000E+01 volume 0.57836E-02 ppm1 4.273 ppm2 2.588 CV 1
ASSI { 237}
(( segid "PAH3" and resid 472 and name HD1 ))
(( segid "PAH3" and resid 469 and name HA ))
3.600 1.600 1.600 peak 237 spectrum 1 weight 0.10000E+01 volume 0.94941E-03 ppm1 4.274 ppm2 2.875 CV 1
OR { 237}
(( segid "PAH3" and resid 472 and name HD2 ))
(( segid "PAH3" and resid 469 and name HA ))
ASSI { 238}
(( segid "PAH3" and resid 472 and name HB1 ))
(( segid "PAH3" and resid 469 and name HA ))
2.800 1.000 1.000 peak 238 spectrum 1 weight 0.10000E+01 volume 0.26672E-02 ppm1 4.276 ppm2 1.446 CV 1
ASSI { 239}
(( segid "PAH3" and resid 472 and name HB2 ))
(( segid "PAH3" and resid 469 and name HA ))
3.200 1.300 1.300 peak 239 spectrum 1 weight 0.10000E+01 volume 0.13770E-02 ppm1 4.269 ppm2 1.004 CV 1
ASSI { 242}
(( segid "PAH3" and resid 466 and name HA ))
(( segid "PAH3" and resid 469 and name HB2 ))
3.000 1.200 1.200 peak 242 spectrum 1 weight 0.10000E+01 volume 0.26019E-02 ppm1 2.587 ppm2 4.150 CV 1
ASSI { 244}
(( segid "PAH3" and resid 469 and name HB2 ))
(( segid "PAH3" and resid 469 and name HB1 ))
1.600 0.300 0.600 peak 244 spectrum 1 weight 0.10000E+01 volume 0.45660E-01 ppm1 2.739 ppm2 2.584 CV 1
ASSI { 246}
(( segid "PAH3" and resid 470 and name HB1 ))
(( segid "PAH3" and resid 470 and name HA ))
2.800 1.000 1.000 peak 246 spectrum 1 weight 0.10000E+01 volume 0.20366E-02 ppm1 3.696 ppm2 1.782 CV 1
ASSI { 247}
(( segid "PAH3" and resid 470 and name HG1 ))
(( segid "PAH3" and resid 470 and name HA ))
2.400 0.700 0.700 peak 247 spectrum 1 weight 0.10000E+01 volume 0.11016E-01 ppm1 3.694 ppm2 1.536 CV 1
OR { 247}
(( segid "PAH3" and resid 470 and name HB2 ))
(( segid "PAH3" and resid 470 and name HA ))
ASSI { 249}
(( segid "PAH3" and resid 471 and name HB ))
(( segid "PAH3" and resid 471 and name HA ))
3.000 1.100 1.100 peak 249 spectrum 1 weight 0.10000E+01 volume 0.19786E-02 ppm1 2.869 ppm2 1.787 CV 1
ASSI { 250}
( segid "PAH3" and resid 515 and name HD2%)
(( segid "PAH3" and resid 471 and name HA ))
2.600 0.800 0.800 peak 250 spectrum 1 weight 0.10000E+01 volume 0.41384E-02 ppm1 2.868 ppm2 0.451 CV 1
ASSI { 251}
( segid "PAH3" and resid 474 and name HB% )
(( segid "PAH3" and resid 471 and name HA ))
2.500 0.800 0.800 peak 251 spectrum 1 weight 0.10000E+01 volume 0.51169E-02 ppm1 2.870 ppm2 0.302 CV 1
ASSI { 252}
( segid "PAH3" and resid 471 and name HG1%)
(( segid "PAH3" and resid 471 and name HA ))
2.500 0.800 0.800 peak 252 spectrum 1 weight 0.10000E+01 volume 0.51603E-02 ppm1 2.869 ppm2 0.197 CV 1
ASSI { 253}
( segid "PAH3" and resid 471 and name HG2%)
(( segid "PAH3" and resid 471 and name HA ))
2.500 0.800 0.800 peak 253 spectrum 1 weight 0.10000E+01 volume 0.52038E-02 ppm1 2.868 ppm2 -0.014 CV 1
ASSI { 257}
(( segid "PAH3" and resid 468 and name HA ))
( segid "PAH3" and resid 471 and name HG1%)
4.400 2.400 1.600 peak 257 spectrum 1 weight 0.10000E+01 volume 0.47255E-03 ppm1 0.199 ppm2 3.694 CV 1
ASSI { 261}
(( segid "PAH3" and resid 471 and name HB ))
( segid "PAH3" and resid 471 and name HG1%)
2.100 0.600 0.600 peak 261 spectrum 1 weight 0.10000E+01 volume 0.11089E-01 ppm1 0.203 ppm2 1.787 CV 1
ASSI { 264}
( segid "PAH3" and resid 475 and name HD2%)
( segid "PAH3" and resid 471 and name HG1%)
2.400 0.700 0.700 peak 264 spectrum 1 weight 0.10000E+01 volume 0.73926E-02 ppm1 0.203 ppm2 0.677 CV 1
ASSI { 266}
( segid "PAH3" and resid 471 and name HG2%)
( segid "PAH3" and resid 471 and name HG1%)
2.100 0.600 0.600 peak 266 spectrum 1 weight 0.10000E+01 volume 0.13408E-01 ppm1 0.203 ppm2 -0.014 CV 1
ASSI { 267}
( segid "PAH3" and resid 471 and name HG1%)
( segid "PAH3" and resid 505 and name HG2%)
3.200 1.300 1.300 peak 267 spectrum 1 weight 0.10000E+01 volume 0.16090E-02 ppm1 1.040 ppm2 0.163 CV 1
ASSI { 270}
(( segid "PAH3" and resid 471 and name HB ))
( segid "PAH3" and resid 471 and name HG2%)
2.300 0.700 0.700 peak 270 spectrum 1 weight 0.10000E+01 volume 0.67113E-02 ppm1 -0.013 ppm2 1.777 CV 1
ASSI { 272}
( segid "PAH3" and resid 515 and name HD1%)
( segid "PAH3" and resid 471 and name HG2%)
2.800 1.000 1.000 peak 272 spectrum 1 weight 0.10000E+01 volume 0.24932E-02 ppm1 -0.018 ppm2 0.716 CV 1
ASSI { 273}
( segid "PAH3" and resid 509 and name HD1%)
( segid "PAH3" and resid 471 and name HG2%)
3.300 1.300 1.300 peak 273 spectrum 1 weight 0.10000E+01 volume 0.13698E-02 ppm1 -0.015 ppm2 0.609 CV 1
ASSI { 276}
(( segid "PAH3" and resid 472 and name HG1 ))
(( segid "PAH3" and resid 472 and name HA ))
2.700 0.900 0.900 peak 276 spectrum 1 weight 0.10000E+01 volume 0.35803E-02 ppm1 3.095 ppm2 0.832 CV 1
OR { 276}
(( segid "PAH3" and resid 472 and name HG2 ))
(( segid "PAH3" and resid 472 and name HA ))
ASSI { 281}
(( segid "PAH3" and resid 472 and name HB1 ))
(( segid "PAH3" and resid 472 and name HB2 ))
1.800 0.400 0.400 peak 281 spectrum 1 weight 0.10000E+01 volume 0.14495E-01 ppm1 1.008 ppm2 1.452 CV 1
ASSI { 282}
(( segid "PAH3" and resid 472 and name HD2 ))
(( segid "PAH3" and resid 472 and name HG1 ))
2.500 0.800 0.800 peak 282 spectrum 1 weight 0.10000E+01 volume 0.59575E-02 ppm1 0.866 ppm2 2.879 CV 1
OR { 282}
(( segid "PAH3" and resid 472 and name HD1 ))
(( segid "PAH3" and resid 472 and name HG1 ))
ASSI { 283}
(( segid "PAH3" and resid 472 and name HD1 ))
(( segid "PAH3" and resid 472 and name HG2 ))
2.400 0.700 0.700 peak 283 spectrum 1 weight 0.10000E+01 volume 0.61823E-02 ppm1 0.803 ppm2 2.879 CV 1
OR { 283}
(( segid "PAH3" and resid 472 and name HD2 ))
(( segid "PAH3" and resid 472 and name HG2 ))
ASSI { 284}
(( segid "PAH3" and resid 472 and name HB1 ))
(( segid "PAH3" and resid 472 and name HG2 ))
2.900 1.100 1.100 peak 284 spectrum 1 weight 0.10000E+01 volume 0.20221E-02 ppm1 0.803 ppm2 1.456 CV 1
ASSI { 285}
(( segid "PAH3" and resid 472 and name HB1 ))
(( segid "PAH3" and resid 472 and name HD1 ))
2.700 0.900 0.900 peak 285 spectrum 1 weight 0.10000E+01 volume 0.35513E-02 ppm1 2.883 ppm2 1.453 CV 1
OR { 285}
(( segid "PAH3" and resid 472 and name HB1 ))
(( segid "PAH3" and resid 472 and name HD2 ))
ASSI { 286}
(( segid "PAH3" and resid 472 and name HB2 ))
(( segid "PAH3" and resid 472 and name HD1 ))
2.800 1.000 1.000 peak 286 spectrum 1 weight 0.10000E+01 volume 0.40515E-02 ppm1 2.883 ppm2 1.007 CV 1
OR { 286}
(( segid "PAH3" and resid 472 and name HB2 ))
(( segid "PAH3" and resid 472 and name HD2 ))
ASSI { 287}
(( segid "PAH3" and resid 472 and name HG1 ))
(( segid "PAH3" and resid 472 and name HD2 ))
2.000 0.500 0.500 peak 287 spectrum 1 weight 0.10000E+01 volume 0.17829E-01 ppm1 2.881 ppm2 0.826 CV 1
OR { 287}
(( segid "PAH3" and resid 472 and name HG2 ))
(( segid "PAH3" and resid 472 and name HD1 ))
OR { 287}
(( segid "PAH3" and resid 472 and name HG1 ))
(( segid "PAH3" and resid 472 and name HD1 ))
OR { 287}
(( segid "PAH3" and resid 472 and name HG2 ))
(( segid "PAH3" and resid 472 and name HD2 ))
ASSI { 288}
(( segid "PAH3" and resid 473 and name HB1 ))
(( segid "PAH3" and resid 473 and name HA ))
2.600 0.800 0.800 peak 288 spectrum 1 weight 0.10000E+01 volume 0.78276E-02 ppm1 3.811 ppm2 1.692 CV 1
ASSI { 289}
(( segid "PAH3" and resid 473 and name HB2 ))
(( segid "PAH3" and resid 473 and name HA ))
2.400 0.700 0.700 peak 289 spectrum 1 weight 0.10000E+01 volume 0.63272E-02 ppm1 3.811 ppm2 1.600 CV 1
ASSI { 290}
(( segid "PAH3" and resid 473 and name HG1 ))
(( segid "PAH3" and resid 473 and name HA ))
2.800 1.000 1.000 peak 290 spectrum 1 weight 0.10000E+01 volume 0.22613E-02 ppm1 3.811 ppm2 1.407 CV 1
ASSI { 291}
(( segid "PAH3" and resid 473 and name HG2 ))
(( segid "PAH3" and resid 473 and name HA ))
2.900 1.100 1.100 peak 291 spectrum 1 weight 0.10000E+01 volume 0.34281E-02 ppm1 3.813 ppm2 1.276 CV 1
ASSI { 295}
(( segid "PAH3" and resid 473 and name HG2 ))
(( segid "PAH3" and resid 473 and name HB2 ))
3.000 1.100 1.100 peak 295 spectrum 1 weight 0.10000E+01 volume 0.25729E-02 ppm1 1.607 ppm2 1.275 CV 1
ASSI { 298}
(( segid "PAH3" and resid 470 and name HA ))
(( segid "PAH3" and resid 470 and name HG2 ))
2.600 0.800 0.800 peak 298 spectrum 1 weight 0.10000E+01 volume 0.37905E-02 ppm1 1.280 ppm2 3.692 CV 1
ASSI { 301}
(( segid "PAH3" and resid 473 and name HB1 ))
(( segid "PAH3" and resid 473 and name HG1 ))
2.500 0.800 0.800 peak 301 spectrum 1 weight 0.10000E+01 volume 0.76826E-02 ppm1 1.408 ppm2 1.684 CV 1
ASSI { 302}
(( segid "PAH3" and resid 473 and name HB1 ))
(( segid "PAH3" and resid 473 and name HG2 ))
2.200 0.600 0.600 peak 302 spectrum 1 weight 0.10000E+01 volume 0.74651E-02 ppm1 1.277 ppm2 1.680 CV 1
ASSI { 303}
(( segid "PAH3" and resid 473 and name HG2 ))
(( segid "PAH3" and resid 473 and name HE2 ))
2.600 0.900 0.900 peak 303 spectrum 1 weight 0.10000E+01 volume 0.48342E-02 ppm1 2.859 ppm2 1.275 CV 1
OR { 303}
(( segid "PAH3" and resid 473 and name HG2 ))
(( segid "PAH3" and resid 473 and name HE1 ))
ASSI { 304}
( segid "PAH3" and resid 509 and name HD1%)
( segid "PAH3" and resid 505 and name HG2%)
3.100 1.200 1.200 peak 304 spectrum 1 weight 0.10000E+01 volume 0.16959E-02 ppm1 1.038 ppm2 0.615 CV 1
ASSI { 305}
(( segid "PAH3" and resid 484 and name HB2 ))
( segid "PAH3" and resid 505 and name HG2%)
3.300 1.300 1.300 peak 305 spectrum 1 weight 0.10000E+01 volume 0.11234E-02 ppm1 1.043 ppm2 2.205 CV 1
ASSI { 307}
( segid "PAH3" and resid 475 and name HD1%)
( segid "PAH3" and resid 474 and name HB% )
3.600 1.600 1.600 peak 307 spectrum 1 weight 0.10000E+01 volume 0.79001E-03 ppm1 0.303 ppm2 0.992 CV 1
ASSI { 308}
(( segid "PAH3" and resid 475 and name HB2 ))
(( segid "PAH3" and resid 475 and name HA ))
2.800 1.000 1.000 peak 308 spectrum 1 weight 0.10000E+01 volume 0.39065E-02 ppm1 4.143 ppm2 1.513 CV 1
ASSI { 311}
(( segid "PAH3" and resid 508 and name HA ))
( segid "PAH3" and resid 475 and name HD1%)
3.400 1.500 1.500 peak 311 spectrum 1 weight 0.10000E+01 volume 0.15438E-02 ppm1 0.994 ppm2 4.375 CV 1
ASSI { 312}
(( segid "PAH3" and resid 475 and name HA ))
( segid "PAH3" and resid 475 and name HD1%)
2.200 0.600 0.600 peak 312 spectrum 1 weight 0.10000E+01 volume 0.11234E-01 ppm1 0.994 ppm2 4.140 CV 1
ASSI { 313}
(( segid "PAH3" and resid 508 and name HB1 ))
( segid "PAH3" and resid 475 and name HD1%)
2.900 1.000 1.000 peak 313 spectrum 1 weight 0.10000E+01 volume 0.16307E-02 ppm1 0.993 ppm2 3.157 CV 1
ASSI { 314}
(( segid "PAH3" and resid 508 and name HB2 ))
( segid "PAH3" and resid 475 and name HD1%)
3.800 1.800 1.800 peak 314 spectrum 1 weight 0.10000E+01 volume 0.12176E-02 ppm1 0.994 ppm2 2.973 CV 1
ASSI { 315}
(( segid "PAH3" and resid 475 and name HG ))
( segid "PAH3" and resid 475 and name HD1%)
2.200 0.600 0.600 peak 315 spectrum 1 weight 0.10000E+01 volume 0.82625E-02 ppm1 0.993 ppm2 1.821 CV 1
ASSI { 316}
( segid "PAH3" and resid 480 and name HB% )
( segid "PAH3" and resid 475 and name HD1%)
3.100 1.200 1.200 peak 316 spectrum 1 weight 0.10000E+01 volume 0.41601E-02 ppm1 0.993 ppm2 1.659 CV 1
ASSI { 317}
(( segid "PAH3" and resid 475 and name HB2 ))
( segid "PAH3" and resid 475 and name HD1%)
2.600 0.800 0.800 peak 317 spectrum 1 weight 0.10000E+01 volume 0.39862E-02 ppm1 0.995 ppm2 1.506 CV 1
ASSI { 318}
(( segid "PAH3" and resid 505 and name HB ))
( segid "PAH3" and resid 505 and name HG2%)
2.300 0.700 0.700 peak 318 spectrum 1 weight 0.10000E+01 volume 0.65084E-02 ppm1 1.041 ppm2 2.569 CV 1
ASSI { 319}
( segid "PAH3" and resid 475 and name HD2%)
( segid "PAH3" and resid 475 and name HD1%)
2.100 0.600 0.600 peak 319 spectrum 1 weight 0.10000E+01 volume 0.14423E-01 ppm1 0.994 ppm2 0.678 CV 1
ASSI { 320}
( segid "PAH3" and resid 509 and name HD2%)
( segid "PAH3" and resid 475 and name HD1%)
3.100 1.200 1.200 peak 320 spectrum 1 weight 0.10000E+01 volume 0.11886E-02 ppm1 0.992 ppm2 0.481 CV 1
ASSI { 322}
( segid "PAH3" and resid 471 and name HG1%)
( segid "PAH3" and resid 475 and name HD1%)
3.100 1.200 1.200 peak 322 spectrum 1 weight 0.10000E+01 volume 0.13045E-02 ppm1 0.992 ppm2 0.194 CV 1
ASSI { 324}
(( segid "PAH3" and resid 475 and name HB2 ))
( segid "PAH3" and resid 475 and name HD2%)
2.900 1.000 1.000 peak 324 spectrum 1 weight 0.10000E+01 volume 0.21888E-02 ppm1 0.674 ppm2 1.511 CV 1
ASSI { 325}
(( segid "PAH3" and resid 475 and name HG ))
( segid "PAH3" and resid 475 and name HD2%)
2.500 0.800 0.800 peak 325 spectrum 1 weight 0.10000E+01 volume 0.42761E-02 ppm1 0.677 ppm2 1.837 CV 1
ASSI { 326}
( segid "PAH3" and resid 480 and name HB% )
( segid "PAH3" and resid 475 and name HD2%)
2.600 0.800 0.800 peak 326 spectrum 1 weight 0.10000E+01 volume 0.32035E-02 ppm1 0.676 ppm2 1.665 CV 1
ASSI { 330}
(( segid "PAH3" and resid 476 and name HG2 ))
(( segid "PAH3" and resid 476 and name HA ))
2.400 0.700 0.700 peak 330 spectrum 1 weight 0.10000E+01 volume 0.68853E-02 ppm1 3.790 ppm2 1.660 CV 1
OR { 330}
(( segid "PAH3" and resid 476 and name HG1 ))
(( segid "PAH3" and resid 476 and name HA ))
ASSI { 331}
(( segid "PAH3" and resid 476 and name HB2 ))
(( segid "PAH3" and resid 476 and name HA ))
2.100 0.600 0.600 peak 331 spectrum 1 weight 0.10000E+01 volume 0.15438E-01 ppm1 3.791 ppm2 2.019 CV 1
OR { 331}
(( segid "PAH3" and resid 476 and name HB1 ))
(( segid "PAH3" and resid 476 and name HA ))
ASSI { 335}
(( segid "PAH3" and resid 476 and name HG1 ))
(( segid "PAH3" and resid 476 and name HB1 ))
2.500 0.800 0.800 peak 335 spectrum 1 weight 0.10000E+01 volume 0.59069E-02 ppm1 2.018 ppm2 1.686 CV 1
OR { 335}
(( segid "PAH3" and resid 476 and name HG1 ))
(( segid "PAH3" and resid 476 and name HB2 ))
ASSI { 336}
(( segid "PAH3" and resid 476 and name HA ))
(( segid "PAH3" and resid 476 and name HG1 ))
2.800 1.000 1.000 peak 336 spectrum 1 weight 0.10000E+01 volume 0.25294E-02 ppm1 1.694 ppm2 3.794 CV 1
ASSI { 337}
(( segid "PAH3" and resid 476 and name HA ))
(( segid "PAH3" and resid 476 and name HG2 ))
2.900 1.100 1.100 peak 337 spectrum 1 weight 0.10000E+01 volume 0.26164E-02 ppm1 1.627 ppm2 3.794 CV 1
ASSI { 338}
(( segid "PAH3" and resid 476 and name HD2 ))
(( segid "PAH3" and resid 476 and name HG1 ))
2.500 0.800 0.800 peak 338 spectrum 1 weight 0.10000E+01 volume 0.60010E-02 ppm1 1.692 ppm2 3.238 CV 1
OR { 338}
(( segid "PAH3" and resid 476 and name HD1 ))
(( segid "PAH3" and resid 476 and name HG1 ))
ASSI { 339}
(( segid "PAH3" and resid 476 and name HD1 ))
(( segid "PAH3" and resid 476 and name HG2 ))
2.500 0.800 0.800 peak 339 spectrum 1 weight 0.10000E+01 volume 0.52328E-02 ppm1 1.627 ppm2 3.242 CV 1
OR { 339}
(( segid "PAH3" and resid 476 and name HD2 ))
(( segid "PAH3" and resid 476 and name HG2 ))
ASSI { 341}
(( segid "PAH3" and resid 476 and name HB2 ))
(( segid "PAH3" and resid 476 and name HG2 ))
2.500 0.800 0.800 peak 341 spectrum 1 weight 0.10000E+01 volume 0.50589E-02 ppm1 1.624 ppm2 2.005 CV 1
OR { 341}
(( segid "PAH3" and resid 476 and name HB1 ))
(( segid "PAH3" and resid 476 and name HG2 ))
ASSI { 342}
(( segid "PAH3" and resid 476 and name HA ))
(( segid "PAH3" and resid 476 and name HD1 ))
3.400 1.400 1.400 peak 342 spectrum 1 weight 0.10000E+01 volume 0.22395E-02 ppm1 3.248 ppm2 3.796 CV 1
OR { 342}
(( segid "PAH3" and resid 476 and name HA ))
(( segid "PAH3" and resid 476 and name HD2 ))
ASSI { 343}
(( segid "PAH3" and resid 476 and name HB2 ))
(( segid "PAH3" and resid 476 and name HD1 ))
2.300 0.700 0.700 peak 343 spectrum 1 weight 0.10000E+01 volume 0.90592E-02 ppm1 3.247 ppm2 2.023 CV 1
OR { 343}
(( segid "PAH3" and resid 476 and name HB1 ))
(( segid "PAH3" and resid 476 and name HD2 ))
OR { 343}
(( segid "PAH3" and resid 476 and name HB2 ))
(( segid "PAH3" and resid 476 and name HD2 ))
OR { 343}
(( segid "PAH3" and resid 476 and name HB1 ))
(( segid "PAH3" and resid 476 and name HD1 ))
ASSI { 344}
(( segid "PAH3" and resid 476 and name HG1 ))
(( segid "PAH3" and resid 476 and name HD2 ))
2.000 0.500 0.500 peak 344 spectrum 1 weight 0.10000E+01 volume 0.20583E-01 ppm1 3.247 ppm2 1.661 CV 1
OR { 344}
(( segid "PAH3" and resid 476 and name HG2 ))
(( segid "PAH3" and resid 476 and name HD1 ))
OR { 344}
(( segid "PAH3" and resid 476 and name HG1 ))
(( segid "PAH3" and resid 476 and name HD1 ))
OR { 344}
(( segid "PAH3" and resid 476 and name HG2 ))
(( segid "PAH3" and resid 476 and name HD2 ))
ASSI { 345}
(( segid "PAH3" and resid 477 and name HB1 ))
(( segid "PAH3" and resid 477 and name HA ))
2.400 0.700 0.700 peak 345 spectrum 1 weight 0.10000E+01 volume 0.86250E-02 ppm1 4.655 ppm2 4.216 CV 1
ASSI { 348}
(( segid "PAH3" and resid 477 and name HA ))
(( segid "PAH3" and resid 477 and name HB2 ))
2.400 0.700 0.700 peak 348 spectrum 1 weight 0.10000E+01 volume 0.51096E-02 ppm1 3.769 ppm2 4.651 CV 1
ASSI { 350}
(( segid "PAH3" and resid 477 and name HB2 ))
(( segid "PAH3" and resid 477 and name HB1 ))
1.600 0.300 0.600 peak 350 spectrum 1 weight 0.10000E+01 volume 0.33992E-01 ppm1 4.221 ppm2 3.769 CV 1
ASSI { 352}
( segid "PAH3" and resid 480 and name HB% )
(( segid "PAH3" and resid 477 and name HB2 ))
2.900 1.000 1.000 peak 352 spectrum 1 weight 0.10000E+01 volume 0.68925E-02 ppm1 3.769 ppm2 1.662 CV 1
ASSI { 355}
(( segid "PAH3" and resid 481 and name HB2 ))
(( segid "PAH3" and resid 478 and name HA ))
3.200 1.300 1.300 peak 355 spectrum 1 weight 0.10000E+01 volume 0.18844E-02 ppm1 4.203 ppm2 2.995 CV 1
ASSI { 356}
(( segid "PAH3" and resid 479 and name HG1 ))
(( segid "PAH3" and resid 479 and name HA ))
2.300 0.700 0.700 peak 356 spectrum 1 weight 0.10000E+01 volume 0.10147E-01 ppm1 4.080 ppm2 2.344 CV 1
OR { 356}
(( segid "PAH3" and resid 479 and name HG2 ))
(( segid "PAH3" and resid 479 and name HA ))
ASSI { 357}
(( segid "PAH3" and resid 479 and name HB1 ))
(( segid "PAH3" and resid 479 and name HA ))
2.200 0.600 0.600 peak 357 spectrum 1 weight 0.10000E+01 volume 0.11596E-01 ppm1 4.076 ppm2 2.096 CV 1
ASSI { 358}
(( segid "PAH3" and resid 482 and name HB1 ))
(( segid "PAH3" and resid 479 and name HA ))
2.400 0.700 0.700 peak 358 spectrum 1 weight 0.10000E+01 volume 0.55227E-02 ppm1 4.078 ppm2 2.165 CV 1
ASSI { 360}
( segid "PAH3" and resid 478 and name HB% )
(( segid "PAH3" and resid 479 and name HA ))
4.100 2.100 1.900 peak 360 spectrum 1 weight 0.10000E+01 volume 0.42326E-03 ppm1 4.076 ppm2 1.507 CV 1
ASSI { 363}
(( segid "PAH3" and resid 479 and name HG2 ))
(( segid "PAH3" and resid 479 and name HB2 ))
2.200 0.600 0.600 peak 363 spectrum 1 weight 0.10000E+01 volume 0.13770E-01 ppm1 1.952 ppm2 2.346 CV 1
OR { 363}
(( segid "PAH3" and resid 479 and name HG1 ))
(( segid "PAH3" and resid 479 and name HB2 ))
ASSI { 366}
(( segid "PAH3" and resid 479 and name HB1 ))
(( segid "PAH3" and resid 479 and name HG1 ))
2.000 0.500 0.500 peak 366 spectrum 1 weight 0.10000E+01 volume 0.23410E-01 ppm1 2.347 ppm2 2.096 CV 1
OR { 366}
(( segid "PAH3" and resid 479 and name HB1 ))
(( segid "PAH3" and resid 479 and name HG2 ))
ASSI { 369}
(( segid "PAH3" and resid 505 and name HA ))
( segid "PAH3" and resid 505 and name HG2%)
2.600 0.800 0.800 peak 369 spectrum 1 weight 0.10000E+01 volume 0.37108E-02 ppm1 1.042 ppm2 4.889 CV 1
ASSI { 371}
( segid "PAH3" and resid 480 and name HB% )
(( segid "PAH3" and resid 480 and name HA ))
2.100 0.500 0.500 peak 371 spectrum 1 weight 0.10000E+01 volume 0.10944E-01 ppm1 4.485 ppm2 1.660 CV 1
ASSI { 374}
(( segid "PAH3" and resid 477 and name HB1 ))
( segid "PAH3" and resid 480 and name HB% )
2.700 0.900 0.900 peak 374 spectrum 1 weight 0.10000E+01 volume 0.18989E-02 ppm1 1.662 ppm2 4.224 CV 1
ASSI { 377}
( segid "PAH3" and resid 471 and name HG1%)
( segid "PAH3" and resid 505 and name HG1%)
2.900 2.900 3.100 peak 377 spectrum 1 weight 0.10000E+01 volume 0.38702E-02 ppm1 1.099 ppm2 0.163 CV 1
ASSI { 380}
(( segid "PAH3" and resid 509 and name HA ))
( segid "PAH3" and resid 509 and name HD2%)
2.200 0.600 0.600 peak 380 spectrum 1 weight 0.10000E+01 volume 0.75376E-02 ppm1 0.487 ppm2 4.486 CV 1
ASSI { 381}
(( segid "PAH3" and resid 481 and name HB2 ))
(( segid "PAH3" and resid 481 and name HA ))
2.900 1.100 1.100 peak 381 spectrum 1 weight 0.10000E+01 volume 0.16090E-02 ppm1 4.118 ppm2 3.001 CV 1
ASSI { 382}
( segid "PAH3" and resid 475 and name HD2%)
(( segid "PAH3" and resid 481 and name HA ))
2.900 1.000 1.000 peak 382 spectrum 1 weight 0.10000E+01 volume 0.20438E-02 ppm1 4.122 ppm2 0.675 CV 1
ASSI { 384}
(( segid "PAH3" and resid 482 and name HB2 ))
(( segid "PAH3" and resid 482 and name HA ))
2.400 0.700 0.700 peak 384 spectrum 1 weight 0.10000E+01 volume 0.57401E-02 ppm1 3.646 ppm2 1.940 CV 1
ASSI { 385}
(( segid "PAH3" and resid 482 and name HG2 ))
(( segid "PAH3" and resid 482 and name HA ))
3.200 1.300 1.300 peak 385 spectrum 1 weight 0.10000E+01 volume 0.18699E-02 ppm1 3.644 ppm2 2.072 CV 1
ASSI { 386}
( segid "PAH3" and resid 485 and name HD2%)
(( segid "PAH3" and resid 482 and name HA ))
3.500 1.500 1.500 peak 386 spectrum 1 weight 0.10000E+01 volume 0.23917E-02 ppm1 3.644 ppm2 0.465 CV 1
ASSI { 387}
( segid "PAH3" and resid 509 and name HD2%)
( segid "PAH3" and resid 505 and name HG1%)
4.300 2.300 1.700 peak 387 spectrum 1 weight 0.10000E+01 volume 0.60735E-03 ppm1 1.100 ppm2 0.494 CV 1
ASSI { 388}
(( segid "PAH3" and resid 485 and name HB2 ))
(( segid "PAH3" and resid 482 and name HA ))
3.400 1.500 1.500 peak 388 spectrum 1 weight 0.10000E+01 volume 0.52690E-03 ppm1 3.644 ppm2 0.940 CV 1
ASSI { 394}
(( segid "PAH3" and resid 482 and name HG1 ))
(( segid "PAH3" and resid 482 and name HB2 ))
2.600 0.800 0.800 peak 394 spectrum 1 weight 0.10000E+01 volume 0.28628E-02 ppm1 1.937 ppm2 2.468 CV 1
ASSI { 396}
(( segid "PAH3" and resid 482 and name HA ))
(( segid "PAH3" and resid 482 and name HG1 ))
3.000 1.100 1.100 peak 396 spectrum 1 weight 0.10000E+01 volume 0.14205E-02 ppm1 2.468 ppm2 3.645 CV 1
ASSI { 398}
(( segid "PAH3" and resid 482 and name HG2 ))
(( segid "PAH3" and resid 482 and name HG1 ))
1.600 0.300 0.600 peak 398 spectrum 1 weight 0.10000E+01 volume 0.30585E-01 ppm1 2.465 ppm2 2.070 CV 1
ASSI { 399}
(( segid "PAH3" and resid 482 and name HB1 ))
(( segid "PAH3" and resid 482 and name HG1 ))
2.800 1.000 1.000 peak 399 spectrum 1 weight 0.10000E+01 volume 0.56821E-02 ppm1 2.467 ppm2 2.186 CV 1
ASSI { 403}
( segid "PAH3" and resid 502 and name HG1%)
( segid "PAH3" and resid 505 and name HG1%)
3.300 1.400 1.400 peak 403 spectrum 1 weight 0.10000E+01 volume 0.15510E-02 ppm1 1.098 ppm2 0.743 CV 1
ASSI { 404}
(( segid "PAH3" and resid 501 and name HG ))
( segid "PAH3" and resid 505 and name HG1%)
4.100 2.100 1.900 peak 404 spectrum 1 weight 0.10000E+01 volume 0.31020E-03 ppm1 1.098 ppm2 1.613 CV 1
ASSI { 405}
(( segid "PAH3" and resid 483 and name HB1 ))
(( segid "PAH3" and resid 483 and name HA ))
3.600 1.600 1.600 peak 405 spectrum 1 weight 0.10000E+01 volume 0.99291E-03 ppm1 4.509 ppm2 3.092 CV 1
ASSI { 406}
(( segid "PAH3" and resid 483 and name HB2 ))
(( segid "PAH3" and resid 483 and name HA ))
2.400 0.700 0.700 peak 406 spectrum 1 weight 0.10000E+01 volume 0.52328E-02 ppm1 4.509 ppm2 2.754 CV 1
ASSI { 407}
(( segid "PAH3" and resid 483 and name HB1 ))
(( segid "PAH3" and resid 483 and name HB2 ))
1.900 0.500 0.500 peak 407 spectrum 1 weight 0.10000E+01 volume 0.10364E-01 ppm1 2.750 ppm2 3.096 CV 1
ASSI { 411}
(( segid "PAH3" and resid 503 and name HA ))
(( segid "PAH3" and resid 503 and name HG1 ))
2.600 0.800 0.800 peak 411 spectrum 1 weight 0.10000E+01 volume 0.53632E-02 ppm1 2.468 ppm2 4.130 CV 1
OR { 411}
(( segid "PAH3" and resid 503 and name HA ))
(( segid "PAH3" and resid 503 and name HG2 ))
ASSI { 412}
( segid "PAH3" and resid 488 and name HD1%)
(( segid "PAH3" and resid 485 and name HA ))
2.700 0.900 0.900 peak 412 spectrum 1 weight 0.10000E+01 volume 0.21960E-02 ppm1 3.451 ppm2 0.224 CV 1
ASSI { 413}
(( segid "PAH3" and resid 485 and name HB2 ))
(( segid "PAH3" and resid 485 and name HA ))
3.300 1.300 1.300 peak 413 spectrum 1 weight 0.10000E+01 volume 0.12249E-02 ppm1 3.443 ppm2 0.941 CV 1
ASSI { 414}
(( segid "PAH3" and resid 485 and name HB2 ))
(( segid "PAH3" and resid 485 and name HB1 ))
2.300 0.600 0.600 peak 414 spectrum 1 weight 0.10000E+01 volume 0.29643E-02 ppm1 1.964 ppm2 0.944 CV 1
ASSI { 415}
(( segid "PAH3" and resid 505 and name HB ))
( segid "PAH3" and resid 505 and name HG1%)
2.400 0.700 0.700 peak 415 spectrum 1 weight 0.10000E+01 volume 0.59286E-02 ppm1 1.097 ppm2 2.561 CV 1
ASSI { 416}
(( segid "PAH3" and resid 482 and name HA ))
( segid "PAH3" and resid 485 and name HD1%)
3.400 1.500 1.500 peak 416 spectrum 1 weight 0.10000E+01 volume 0.74651E-03 ppm1 0.545 ppm2 3.640 CV 1
ASSI { 418}
(( segid "PAH3" and resid 485 and name HB1 ))
( segid "PAH3" and resid 485 and name HD1%)
2.900 1.100 1.100 peak 418 spectrum 1 weight 0.10000E+01 volume 0.15728E-02 ppm1 0.544 ppm2 1.971 CV 1
ASSI { 419}
(( segid "PAH3" and resid 502 and name HA ))
( segid "PAH3" and resid 505 and name HG1%)
2.400 0.700 0.700 peak 419 spectrum 1 weight 0.10000E+01 volume 0.55517E-02 ppm1 1.098 ppm2 3.578 CV 1
ASSI { 421}
(( segid "PAH3" and resid 485 and name HG ))
( segid "PAH3" and resid 485 and name HD1%)
2.300 0.700 0.700 peak 421 spectrum 1 weight 0.10000E+01 volume 0.60663E-02 ppm1 0.546 ppm2 1.219 CV 1
ASSI { 422}
(( segid "PAH3" and resid 485 and name HB2 ))
( segid "PAH3" and resid 485 and name HD1%)
2.800 1.000 1.000 peak 422 spectrum 1 weight 0.10000E+01 volume 0.24932E-02 ppm1 0.542 ppm2 0.943 CV 1
ASSI { 425}
(( segid "PAH3" and resid 505 and name HA ))
( segid "PAH3" and resid 505 and name HG1%)
3.100 1.200 1.200 peak 425 spectrum 1 weight 0.10000E+01 volume 0.23193E-02 ppm1 1.095 ppm2 4.886 CV 1
ASSI { 426}
( segid "PAH3" and resid 505 and name HG1%)
(( segid "PAH3" and resid 505 and name HB ))
2.200 0.600 0.600 peak 426 spectrum 1 weight 0.10000E+01 volume 0.94216E-02 ppm1 2.566 ppm2 1.069 CV 1
OR { 426}
( segid "PAH3" and resid 505 and name HG2%)
(( segid "PAH3" and resid 505 and name HB ))
ASSI { 428}
(( segid "PAH3" and resid 485 and name HB2 ))
( segid "PAH3" and resid 485 and name HD2%)
3.400 1.400 1.400 peak 428 spectrum 1 weight 0.10000E+01 volume 0.22975E-02 ppm1 0.467 ppm2 0.941 CV 1
ASSI { 430}
( segid "PAH3" and resid 505 and name HG2%)
(( segid "PAH3" and resid 505 and name HA ))
2.500 0.800 0.800 peak 430 spectrum 1 weight 0.10000E+01 volume 0.51241E-02 ppm1 4.894 ppm2 1.069 CV 1
OR { 430}
( segid "PAH3" and resid 505 and name HG1%)
(( segid "PAH3" and resid 505 and name HA ))
ASSI { 431}
(( segid "PAH3" and resid 505 and name HB ))
(( segid "PAH3" and resid 505 and name HA ))
2.500 0.800 0.800 peak 431 spectrum 1 weight 0.10000E+01 volume 0.39935E-02 ppm1 4.892 ppm2 2.572 CV 1
ASSI { 432}
(( segid "PAH3" and resid 487 and name HB2 ))
(( segid "PAH3" and resid 487 and name HA ))
3.300 1.400 1.400 peak 432 spectrum 1 weight 0.10000E+01 volume 0.13625E-02 ppm1 4.102 ppm2 2.212 CV 1
ASSI { 433}
(( segid "PAH3" and resid 487 and name HB2 ))
(( segid "PAH3" and resid 487 and name HB1 ))
2.100 0.500 0.500 peak 433 spectrum 1 weight 0.10000E+01 volume 0.71679E-02 ppm1 3.293 ppm2 2.217 CV 1
ASSI { 434}
( segid "PAH3" and resid 490 and name HD1%)
(( segid "PAH3" and resid 487 and name HB1 ))
3.600 1.600 1.600 peak 434 spectrum 1 weight 0.10000E+01 volume 0.10799E-02 ppm1 3.294 ppm2 1.043 CV 1
ASSI { 435}
( segid "PAH3" and resid 488 and name HD1%)
(( segid "PAH3" and resid 488 and name HA ))
4.500 2.500 1.500 peak 435 spectrum 1 weight 0.10000E+01 volume 0.53270E-03 ppm1 3.853 ppm2 0.234 CV 1
ASSI { 437}
( segid "PAH3" and resid 488 and name HD1%)
(( segid "PAH3" and resid 488 and name HB2 ))
2.900 1.100 1.100 peak 437 spectrum 1 weight 0.10000E+01 volume 0.19569E-02 ppm1 1.019 ppm2 0.241 CV 1
ASSI { 438}
( segid "PAH3" and resid 488 and name HD2%)
(( segid "PAH3" and resid 488 and name HB1 ))
3.500 1.600 1.600 peak 438 spectrum 1 weight 0.10000E+01 volume 0.54430E-03 ppm1 1.824 ppm2 0.036 CV 1
ASSI { 439}
(( segid "PAH3" and resid 504 and name HG ))
( segid "PAH3" and resid 504 and name HD2%)
2.200 0.600 0.600 peak 439 spectrum 1 weight 0.10000E+01 volume 0.94216E-02 ppm1 0.735 ppm2 1.990 CV 1
OR { 439}
(( segid "PAH3" and resid 504 and name HB1 ))
( segid "PAH3" and resid 504 and name HD2%)
ASSI { 442}
(( segid "PAH3" and resid 488 and name HB1 ))
( segid "PAH3" and resid 488 and name HD1%)
2.800 1.000 1.000 peak 442 spectrum 1 weight 0.10000E+01 volume 0.21743E-02 ppm1 0.234 ppm2 1.831 CV 1
ASSI { 443}
(( segid "PAH3" and resid 488 and name HG ))
( segid "PAH3" and resid 488 and name HD1%)
2.400 0.700 0.700 peak 443 spectrum 1 weight 0.10000E+01 volume 0.52980E-02 ppm1 0.233 ppm2 1.137 CV 1
ASSI { 445}
( segid "PAH3" and resid 485 and name HD1%)
( segid "PAH3" and resid 488 and name HD1%)
3.100 1.200 1.200 peak 445 spectrum 1 weight 0.10000E+01 volume 0.47907E-02 ppm1 0.234 ppm2 0.549 CV 1
ASSI { 446}
( segid "PAH3" and resid 488 and name HD2%)
( segid "PAH3" and resid 488 and name HD1%)
2.200 0.600 0.600 peak 446 spectrum 1 weight 0.10000E+01 volume 0.89150E-02 ppm1 0.232 ppm2 0.041 CV 1
ASSI { 447}
(( segid "PAH3" and resid 504 and name HB2 ))
( segid "PAH3" and resid 504 and name HD1%)
2.400 0.700 0.700 peak 447 spectrum 1 weight 0.10000E+01 volume 0.50154E-02 ppm1 0.829 ppm2 1.705 CV 1
ASSI { 448}
(( segid "PAH3" and resid 488 and name HA ))
( segid "PAH3" and resid 488 and name HD2%)
2.500 0.800 0.800 peak 448 spectrum 1 weight 0.10000E+01 volume 0.39282E-02 ppm1 0.044 ppm2 3.847 CV 1
ASSI { 449}
(( segid "PAH3" and resid 487 and name HB1 ))
( segid "PAH3" and resid 488 and name HD2%)
4.200 2.200 1.800 peak 449 spectrum 1 weight 0.10000E+01 volume 0.75376E-03 ppm1 0.040 ppm2 3.303 CV 1
ASSI { 451}
(( segid "PAH3" and resid 488 and name HG ))
( segid "PAH3" and resid 488 and name HD2%)
2.300 0.700 0.700 peak 451 spectrum 1 weight 0.10000E+01 volume 0.67693E-02 ppm1 0.046 ppm2 1.124 CV 1
ASSI { 453}
( segid "PAH3" and resid 501 and name HD1%)
( segid "PAH3" and resid 488 and name HD2%)
2.600 0.900 0.900 peak 453 spectrum 1 weight 0.10000E+01 volume 0.31962E-02 ppm1 0.043 ppm2 0.893 CV 1
ASSI { 454}
( segid "PAH3" and resid 501 and name HD2%)
( segid "PAH3" and resid 488 and name HD2%)
2.600 0.800 0.800 peak 454 spectrum 1 weight 0.10000E+01 volume 0.39500E-02 ppm1 0.043 ppm2 0.543 CV 1
ASSI { 456}
(( segid "PAH3" and resid 504 and name HG ))
( segid "PAH3" and resid 504 and name HD1%)
2.300 0.700 0.700 peak 456 spectrum 1 weight 0.10000E+01 volume 0.68998E-02 ppm1 0.829 ppm2 2.001 CV 1
OR { 456}
(( segid "PAH3" and resid 504 and name HB1 ))
( segid "PAH3" and resid 504 and name HD1%)
ASSI { 457}
(( segid "PAH3" and resid 504 and name HA ))
( segid "PAH3" and resid 504 and name HD1%)
4.200 2.200 1.800 peak 457 spectrum 1 weight 0.10000E+01 volume 0.76826E-03 ppm1 0.831 ppm2 4.249 CV 1
ASSI { 459}
( segid "PAH3" and resid 488 and name HD1%)
(( segid "PAH3" and resid 489 and name HA ))
3.900 1.900 1.900 peak 459 spectrum 1 weight 0.10000E+01 volume 0.76826E-03 ppm1 3.774 ppm2 0.264 CV 1
ASSI { 460}
( segid "PAH3" and resid 495 and name HG2%)
(( segid "PAH3" and resid 489 and name HB ))
3.000 3.000 3.000 peak 460 spectrum 1 weight 0.10000E+01 volume 0.10002E-02 ppm1 2.427 ppm2 0.274 CV 1
ASSI { 462}
(( segid "PAH3" and resid 486 and name HA ))
( segid "PAH3" and resid 489 and name HG1%)
3.100 1.200 1.200 peak 462 spectrum 1 weight 0.10000E+01 volume 0.30005E-02 ppm1 1.114 ppm2 3.509 CV 1
ASSI { 464}
(( segid "PAH3" and resid 488 and name HB1 ))
( segid "PAH3" and resid 489 and name HG1%)
4.300 2.300 1.700 peak 464 spectrum 1 weight 0.10000E+01 volume 0.50444E-03 ppm1 1.113 ppm2 1.825 CV 1
ASSI { 467}
( segid "PAH3" and resid 488 and name HD1%)
( segid "PAH3" and resid 489 and name HG1%)
2.400 2.400 3.600 peak 467 spectrum 1 weight 0.10000E+01 volume 0.36311E-02 ppm1 1.114 ppm2 0.265 CV 1
ASSI { 469}
(( segid "PAH3" and resid 489 and name HB ))
( segid "PAH3" and resid 489 and name HG2%)
2.300 0.700 0.700 peak 469 spectrum 1 weight 0.10000E+01 volume 0.66678E-02 ppm1 1.015 ppm2 2.430 CV 1
ASSI { 470}
(( segid "PAH3" and resid 504 and name HB2 ))
(( segid "PAH3" and resid 504 and name HA ))
3.100 1.200 1.200 peak 470 spectrum 1 weight 0.10000E+01 volume 0.18917E-02 ppm1 4.237 ppm2 1.717 CV 1
ASSI { 471}
(( segid "PAH3" and resid 504 and name HB1 ))
(( segid "PAH3" and resid 504 and name HA ))
2.700 0.900 0.900 peak 471 spectrum 1 weight 0.10000E+01 volume 0.30005E-02 ppm1 4.241 ppm2 1.996 CV 1
OR { 471}
(( segid "PAH3" and resid 504 and name HG ))
(( segid "PAH3" and resid 504 and name HA ))
ASSI { 473}
(( segid "PAH3" and resid 490 and name HB ))
(( segid "PAH3" and resid 490 and name HA ))
2.600 0.800 0.800 peak 473 spectrum 1 weight 0.10000E+01 volume 0.32542E-02 ppm1 4.099 ppm2 2.042 CV 1
ASSI { 474}
(( segid "PAH3" and resid 493 and name HB2 ))
(( segid "PAH3" and resid 490 and name HA ))
2.900 1.000 1.000 peak 474 spectrum 1 weight 0.10000E+01 volume 0.14205E-02 ppm1 4.097 ppm2 1.520 CV 1
ASSI { 476}
( segid "PAH3" and resid 490 and name HD1%)
(( segid "PAH3" and resid 490 and name HA ))
4.500 2.500 1.500 peak 476 spectrum 1 weight 0.10000E+01 volume 0.56314E-03 ppm1 4.103 ppm2 1.078 CV 1
ASSI { 477}
( segid "PAH3" and resid 489 and name HG2%)
(( segid "PAH3" and resid 490 and name HA ))
4.200 2.200 1.800 peak 477 spectrum 1 weight 0.10000E+01 volume 0.38702E-03 ppm1 4.100 ppm2 1.005 CV 1
ASSI { 479}
(( segid "PAH3" and resid 490 and name HA ))
( segid "PAH3" and resid 495 and name HG2%)
3.700 1.700 1.700 peak 479 spectrum 1 weight 0.10000E+01 volume 0.62112E-03 ppm1 0.277 ppm2 4.103 CV 1
ASSI { 480}
( segid "PAH3" and resid 490 and name HD1%)
(( segid "PAH3" and resid 490 and name HB ))
2.900 1.100 1.100 peak 480 spectrum 1 weight 0.10000E+01 volume 0.14858E-02 ppm1 2.042 ppm2 1.070 CV 1
ASSI { 481}
( segid "PAH3" and resid 490 and name HD1%)
(( segid "PAH3" and resid 490 and name HG11))
3.100 1.200 1.200 peak 481 spectrum 1 weight 0.10000E+01 volume 0.86250E-03 ppm1 2.057 ppm2 1.067 CV 1
ASSI { 483}
(( segid "PAH3" and resid 490 and name HA ))
( segid "PAH3" and resid 490 and name HG2%)
2.400 0.700 0.700 peak 483 spectrum 1 weight 0.10000E+01 volume 0.65881E-02 ppm1 1.342 ppm2 4.099 CV 1
ASSI { 484}
(( segid "PAH3" and resid 490 and name HB ))
( segid "PAH3" and resid 490 and name HG2%)
2.100 0.600 0.600 peak 484 spectrum 1 weight 0.10000E+01 volume 0.10509E-01 ppm1 1.341 ppm2 2.045 CV 1
OR { 484}
(( segid "PAH3" and resid 490 and name HG11))
( segid "PAH3" and resid 490 and name HG2%)
ASSI { 485}
(( segid "PAH3" and resid 490 and name HG12))
( segid "PAH3" and resid 490 and name HG2%)
2.900 1.000 1.000 peak 485 spectrum 1 weight 0.10000E+01 volume 0.16090E-02 ppm1 1.341 ppm2 1.706 CV 1
ASSI { 486}
( segid "PAH3" and resid 490 and name HD1%)
( segid "PAH3" and resid 490 and name HG2%)
2.200 0.600 0.600 peak 486 spectrum 1 weight 0.10000E+01 volume 0.89150E-02 ppm1 1.341 ppm2 1.078 CV 1
ASSI { 487}
( segid "PAH3" and resid 489 and name HG2%)
( segid "PAH3" and resid 490 and name HG2%)
2.300 0.700 0.700 peak 487 spectrum 1 weight 0.10000E+01 volume 0.73201E-02 ppm1 1.340 ppm2 0.996 CV 1
ASSI { 488}
( segid "PAH3" and resid 502 and name HG2%)
(( segid "PAH3" and resid 503 and name HA ))
3.800 1.800 1.800 peak 488 spectrum 1 weight 0.10000E+01 volume 0.12539E-02 ppm1 4.127 ppm2 0.612 CV 1
ASSI { 489}
( segid "PAH3" and resid 495 and name HG2%)
( segid "PAH3" and resid 490 and name HG2%)
3.400 1.400 1.400 peak 489 spectrum 1 weight 0.10000E+01 volume 0.12249E-02 ppm1 1.339 ppm2 0.275 CV 1
ASSI { 490}
(( segid "PAH3" and resid 503 and name HB2 ))
(( segid "PAH3" and resid 503 and name HA ))
2.300 0.700 0.700 peak 490 spectrum 1 weight 0.10000E+01 volume 0.92767E-02 ppm1 4.133 ppm2 2.254 CV 1
OR { 490}
(( segid "PAH3" and resid 503 and name HB1 ))
(( segid "PAH3" and resid 503 and name HA ))
ASSI { 492}
(( segid "PAH3" and resid 487 and name HA ))
( segid "PAH3" and resid 490 and name HD1%)
2.800 1.000 1.000 peak 492 spectrum 1 weight 0.10000E+01 volume 0.21018E-02 ppm1 1.077 ppm2 4.100 CV 1
ASSI { 493}
(( segid "PAH3" and resid 490 and name HG11))
( segid "PAH3" and resid 490 and name HD1%)
2.100 0.600 0.600 peak 493 spectrum 1 weight 0.10000E+01 volume 0.85525E-02 ppm1 1.075 ppm2 2.050 CV 1
OR { 493}
(( segid "PAH3" and resid 490 and name HB ))
( segid "PAH3" and resid 490 and name HD1%)
ASSI { 494}
(( segid "PAH3" and resid 490 and name HG12))
( segid "PAH3" and resid 490 and name HD1%)
2.400 0.700 0.700 peak 494 spectrum 1 weight 0.10000E+01 volume 0.49211E-02 ppm1 1.076 ppm2 1.697 CV 1
ASSI { 498}
(( segid "PAH3" and resid 493 and name HG2 ))
(( segid "PAH3" and resid 493 and name HA ))
2.600 0.900 0.900 peak 498 spectrum 1 weight 0.10000E+01 volume 0.34933E-02 ppm1 4.217 ppm2 2.498 CV 1
ASSI { 499}
(( segid "PAH3" and resid 493 and name HB1 ))
(( segid "PAH3" and resid 493 and name HA ))
2.700 0.900 0.900 peak 499 spectrum 1 weight 0.10000E+01 volume 0.28483E-02 ppm1 4.211 ppm2 2.244 CV 1
ASSI { 500}
(( segid "PAH3" and resid 493 and name HB2 ))
(( segid "PAH3" and resid 493 and name HA ))
2.600 0.900 0.900 peak 500 spectrum 1 weight 0.10000E+01 volume 0.65229E-02 ppm1 4.212 ppm2 1.513 CV 1
ASSI { 502}
(( segid "PAH3" and resid 493 and name HA ))
(( segid "PAH3" and resid 493 and name HG1 ))
3.100 1.200 1.200 peak 502 spectrum 1 weight 0.10000E+01 volume 0.21960E-02 ppm1 2.604 ppm2 4.217 CV 1
ASSI { 504}
(( segid "PAH3" and resid 493 and name HG1 ))
(( segid "PAH3" and resid 493 and name HG2 ))
1.600 0.300 0.600 peak 504 spectrum 1 weight 0.10000E+01 volume 0.30223E-01 ppm1 2.495 ppm2 2.606 CV 1
ASSI { 506}
(( segid "PAH3" and resid 493 and name HB1 ))
(( segid "PAH3" and resid 493 and name HG1 ))
3.100 1.200 1.200 peak 506 spectrum 1 weight 0.10000E+01 volume 0.28121E-02 ppm1 2.605 ppm2 2.240 CV 1
ASSI { 507}
(( segid "PAH3" and resid 493 and name HB2 ))
(( segid "PAH3" and resid 493 and name HG1 ))
2.900 1.100 1.100 peak 507 spectrum 1 weight 0.10000E+01 volume 0.13480E-02 ppm1 2.606 ppm2 1.517 CV 1
ASSI { 508}
(( segid "PAH3" and resid 493 and name HB2 ))
(( segid "PAH3" and resid 493 and name HG2 ))
3.300 1.400 1.400 peak 508 spectrum 1 weight 0.10000E+01 volume 0.18119E-02 ppm1 2.501 ppm2 1.522 CV 1
ASSI { 509}
( segid "PAH3" and resid 489 and name HG2%)
(( segid "PAH3" and resid 493 and name HG2 ))
4.500 2.600 1.500 peak 509 spectrum 1 weight 0.10000E+01 volume 0.42833E-03 ppm1 2.498 ppm2 1.015 CV 1
ASSI { 510}
( segid "PAH3" and resid 489 and name HG2%)
(( segid "PAH3" and resid 493 and name HG1 ))
3.900 1.900 1.900 peak 510 spectrum 1 weight 0.10000E+01 volume 0.57619E-03 ppm1 2.599 ppm2 1.015 CV 1
ASSI { 511}
(( segid "PAH3" and resid 494 and name HG2 ))
(( segid "PAH3" and resid 494 and name HA ))
2.500 0.800 0.800 peak 511 spectrum 1 weight 0.10000E+01 volume 0.62837E-02 ppm1 3.895 ppm2 1.964 CV 1
OR { 511}
(( segid "PAH3" and resid 494 and name HG1 ))
(( segid "PAH3" and resid 494 and name HA ))
ASSI { 512}
(( segid "PAH3" and resid 494 and name HA ))
(( segid "PAH3" and resid 494 and name HG1 ))
3.000 1.100 1.100 peak 512 spectrum 1 weight 0.10000E+01 volume 0.27976E-02 ppm1 1.988 ppm2 3.902 CV 1
ASSI { 513}
(( segid "PAH3" and resid 494 and name HA ))
(( segid "PAH3" and resid 494 and name HG2 ))
2.900 1.100 1.100 peak 513 spectrum 1 weight 0.10000E+01 volume 0.22613E-02 ppm1 1.926 ppm2 3.900 CV 1
ASSI { 514}
( segid "PAH3" and resid 495 and name HG1%)
(( segid "PAH3" and resid 495 and name HA ))
2.500 0.800 0.800 peak 514 spectrum 1 weight 0.10000E+01 volume 0.47110E-02 ppm1 3.490 ppm2 0.941 CV 1
ASSI { 515}
( segid "PAH3" and resid 495 and name HG2%)
(( segid "PAH3" and resid 495 and name HA ))
2.500 0.800 0.800 peak 515 spectrum 1 weight 0.10000E+01 volume 0.47545E-02 ppm1 3.488 ppm2 0.281 CV 1
ASSI { 518}
( segid "PAH3" and resid 496 and name HG2%)
(( segid "PAH3" and resid 495 and name HB ))
3.800 1.800 1.800 peak 518 spectrum 1 weight 0.10000E+01 volume 0.49501E-03 ppm1 1.940 ppm2 0.811 CV 1
OR { 518}
(( segid "PAH3" and resid 496 and name HG12))
(( segid "PAH3" and resid 495 and name HB ))
ASSI { 520}
(( segid "PAH3" and resid 495 and name HB ))
( segid "PAH3" and resid 495 and name HG1%)
2.300 0.700 0.700 peak 520 spectrum 1 weight 0.10000E+01 volume 0.56531E-02 ppm1 0.940 ppm2 1.940 CV 1
ASSI { 521}
(( segid "PAH3" and resid 502 and name HB ))
( segid "PAH3" and resid 502 and name HG2%)
2.200 0.600 0.600 peak 521 spectrum 1 weight 0.10000E+01 volume 0.90592E-02 ppm1 0.614 ppm2 1.907 CV 1
ASSI { 523}
( segid "PAH3" and resid 490 and name HG2%)
( segid "PAH3" and resid 495 and name HG1%)
4.100 2.200 1.900 peak 523 spectrum 1 weight 0.10000E+01 volume 0.44356E-03 ppm1 0.935 ppm2 1.340 CV 1
ASSI { 524}
( segid "PAH3" and resid 495 and name HG2%)
( segid "PAH3" and resid 495 and name HG1%)
2.200 0.600 0.600 peak 524 spectrum 1 weight 0.10000E+01 volume 0.92042E-02 ppm1 0.940 ppm2 0.280 CV 1
ASSI { 525}
( segid "PAH3" and resid 523 and name HD2%)
( segid "PAH3" and resid 502 and name HG1%)
2.300 0.700 0.700 peak 525 spectrum 1 weight 0.10000E+01 volume 0.52400E-02 ppm1 0.720 ppm2 0.360 CV 1
ASSI { 526}
( segid "PAH3" and resid 502 and name HG2%)
( segid "PAH3" and resid 502 and name HG1%)
2.000 0.500 0.500 peak 526 spectrum 1 weight 0.10000E+01 volume 0.19351E-01 ppm1 0.722 ppm2 0.603 CV 1
ASSI { 529}
(( segid "PAH3" and resid 493 and name HB1 ))
( segid "PAH3" and resid 495 and name HG2%)
4.000 2.000 2.000 peak 529 spectrum 1 weight 0.10000E+01 volume 0.47400E-03 ppm1 0.277 ppm2 2.240 CV 1
ASSI { 530}
(( segid "PAH3" and resid 495 and name HB ))
( segid "PAH3" and resid 495 and name HG2%)
2.300 0.700 0.700 peak 530 spectrum 1 weight 0.10000E+01 volume 0.59286E-02 ppm1 0.281 ppm2 1.940 CV 1
ASSI { 531}
(( segid "PAH3" and resid 490 and name HB ))
( segid "PAH3" and resid 495 and name HG2%)
3.300 1.400 1.400 peak 531 spectrum 1 weight 0.10000E+01 volume 0.11234E-02 ppm1 0.280 ppm2 2.055 CV 1
ASSI { 532}
(( segid "PAH3" and resid 502 and name HB ))
( segid "PAH3" and resid 502 and name HG1%)
2.300 0.700 0.700 peak 532 spectrum 1 weight 0.10000E+01 volume 0.79726E-02 ppm1 0.721 ppm2 1.907 CV 1
ASSI { 534}
(( segid "PAH3" and resid 502 and name HA ))
( segid "PAH3" and resid 502 and name HG1%)
2.400 0.700 0.700 peak 534 spectrum 1 weight 0.10000E+01 volume 0.63417E-02 ppm1 0.720 ppm2 3.578 CV 1
ASSI { 536}
( segid "PAH3" and resid 496 and name HG2%)
(( segid "PAH3" and resid 496 and name HA ))
2.500 0.800 0.800 peak 536 spectrum 1 weight 0.10000E+01 volume 0.46820E-02 ppm1 5.072 ppm2 0.812 CV 1
ASSI { 540}
(( segid "PAH3" and resid 496 and name HB ))
( segid "PAH3" and resid 496 and name HG2%)
2.700 0.900 0.900 peak 540 spectrum 1 weight 0.10000E+01 volume 0.23193E-02 ppm1 0.820 ppm2 2.289 CV 1
ASSI { 541}
(( segid "PAH3" and resid 490 and name HG11))
( segid "PAH3" and resid 496 and name HG2%)
3.600 1.600 1.600 peak 541 spectrum 1 weight 0.10000E+01 volume 0.56459E-03 ppm1 0.819 ppm2 2.030 CV 1
OR { 541}
(( segid "PAH3" and resid 490 and name HB ))
( segid "PAH3" and resid 496 and name HG2%)
ASSI { 542}
(( segid "PAH3" and resid 495 and name HB ))
( segid "PAH3" and resid 496 and name HG2%)
3.800 1.800 1.800 peak 542 spectrum 1 weight 0.10000E+01 volume 0.48197E-03 ppm1 0.818 ppm2 1.946 CV 1
ASSI { 545}
( segid "PAH3" and resid 490 and name HD1%)
( segid "PAH3" and resid 496 and name HG2%)
2.800 1.000 1.000 peak 545 spectrum 1 weight 0.10000E+01 volume 0.18119E-02 ppm1 0.816 ppm2 1.074 CV 1
ASSI { 547}
(( segid "PAH3" and resid 490 and name HG11))
( segid "PAH3" and resid 496 and name HD1%)
3.200 1.300 1.300 peak 547 spectrum 1 weight 0.10000E+01 volume 0.83350E-03 ppm1 0.972 ppm2 2.030 CV 1
ASSI { 548}
(( segid "PAH3" and resid 496 and name HG11))
( segid "PAH3" and resid 496 and name HD1%)
2.300 0.600 0.600 peak 548 spectrum 1 weight 0.10000E+01 volume 0.62185E-02 ppm1 0.979 ppm2 1.752 CV 1
ASSI { 549}
( segid "PAH3" and resid 502 and name HG2%)
(( segid "PAH3" and resid 502 and name HA ))
2.500 0.800 0.800 peak 549 spectrum 1 weight 0.10000E+01 volume 0.48415E-02 ppm1 3.576 ppm2 0.615 CV 1
ASSI { 550}
(( segid "PAH3" and resid 496 and name HG12))
( segid "PAH3" and resid 496 and name HD1%)
1.800 0.400 0.400 peak 550 spectrum 1 weight 0.10000E+01 volume 0.23554E-01 ppm1 0.978 ppm2 0.806 CV 1
OR { 550}
( segid "PAH3" and resid 496 and name HG2%)
( segid "PAH3" and resid 496 and name HD1%)
ASSI { 551}
( segid "PAH3" and resid 501 and name HD2%)
( segid "PAH3" and resid 496 and name HD1%)
3.400 1.500 1.500 peak 551 spectrum 1 weight 0.10000E+01 volume 0.17467E-02 ppm1 0.978 ppm2 0.584 CV 1
ASSI { 552}
(( segid "PAH3" and resid 497 and name HB1 ))
(( segid "PAH3" and resid 497 and name HA ))
2.600 0.800 0.800 peak 552 spectrum 1 weight 0.10000E+01 volume 0.42471E-02 ppm1 4.813 ppm2 4.561 CV 1
ASSI { 553}
(( segid "PAH3" and resid 497 and name HB2 ))
(( segid "PAH3" and resid 497 and name HB1 ))
2.000 0.500 0.500 peak 553 spectrum 1 weight 0.10000E+01 volume 0.93492E-02 ppm1 4.581 ppm2 4.065 CV 1
ASSI { 554}
(( segid "PAH3" and resid 498 and name HB1 ))
(( segid "PAH3" and resid 498 and name HA ))
3.000 1.100 1.100 peak 554 spectrum 1 weight 0.10000E+01 volume 0.17974E-02 ppm1 4.018 ppm2 2.108 CV 1
ASSI { 555}
( segid "PAH3" and resid 501 and name HD2%)
(( segid "PAH3" and resid 498 and name HA ))
3.700 1.700 1.700 peak 555 spectrum 1 weight 0.10000E+01 volume 0.65591E-03 ppm1 4.022 ppm2 0.545 CV 1
ASSI { 556}
(( segid "PAH3" and resid 502 and name HB ))
(( segid "PAH3" and resid 499 and name HA ))
2.800 1.000 1.000 peak 556 spectrum 1 weight 0.10000E+01 volume 0.23120E-02 ppm1 3.990 ppm2 1.904 CV 1
ASSI { 557}
( segid "PAH3" and resid 499 and name HB% )
(( segid "PAH3" and resid 499 and name HA ))
2.200 0.600 0.600 peak 557 spectrum 1 weight 0.10000E+01 volume 0.13625E-01 ppm1 3.991 ppm2 1.569 CV 1
ASSI { 558}
( segid "PAH3" and resid 502 and name HG1%)
(( segid "PAH3" and resid 499 and name HA ))
3.700 1.700 1.700 peak 558 spectrum 1 weight 0.10000E+01 volume 0.13263E-02 ppm1 3.990 ppm2 0.717 CV 1
ASSI { 564}
( segid "PAH3" and resid 496 and name HD1%)
(( segid "PAH3" and resid 501 and name HA ))
2.600 0.900 0.900 peak 564 spectrum 1 weight 0.10000E+01 volume 0.29498E-02 ppm1 4.040 ppm2 0.976 CV 1
ASSI { 568}
( segid "PAH3" and resid 501 and name HD2%)
( segid "PAH3" and resid 501 and name HD1%)
2.200 0.600 0.600 peak 568 spectrum 1 weight 0.10000E+01 volume 0.11379E-01 ppm1 0.892 ppm2 0.549 CV 1
ASSI { 571}
( segid "PAH3" and resid 523 and name HD2%)
( segid "PAH3" and resid 501 and name HD2%)
2.600 0.800 0.800 peak 571 spectrum 1 weight 0.10000E+01 volume 0.41384E-02 ppm1 0.547 ppm2 0.358 CV 1
ASSI { 584}
(( segid "PAH3" and resid 459 and name HB1 ))
(( segid "PAH3" and resid 459 and name HA ))
2.500 0.800 0.800 peak 584 spectrum 1 weight 0.10000E+01 volume 0.56894E-02 ppm1 4.686 ppm2 3.179 CV 1
ASSI { 585}
(( segid "PAH3" and resid 459 and name HB2 ))
(( segid "PAH3" and resid 459 and name HA ))
2.800 1.000 1.000 peak 585 spectrum 1 weight 0.10000E+01 volume 0.40659E-02 ppm1 4.686 ppm2 3.059 CV 1
ASSI { 586}
(( segid "PAH3" and resid 459 and name HD2 ))
(( segid "PAH3" and resid 459 and name HA ))
4.200 2.200 1.800 peak 586 spectrum 1 weight 0.10000E+01 volume 0.34716E-03 ppm1 4.681 ppm2 -0.994 CV 1
ASSI { 588}
(( segid "PAH3" and resid 459 and name HD2 ))
(( segid "PAH3" and resid 459 and name HB1 ))
4.100 2.100 1.900 peak 588 spectrum 1 weight 0.10000E+01 volume 0.41167E-03 ppm1 3.174 ppm2 -1.001 CV 1
ASSI { 590}
(( segid "PAH3" and resid 459 and name HD2 ))
(( segid "PAH3" and resid 459 and name HB2 ))
4.000 2.000 2.000 peak 590 spectrum 1 weight 0.10000E+01 volume 0.36021E-03 ppm1 3.067 ppm2 -1.003 CV 1
ASSI { 591}
(( segid "PAH3" and resid 461 and name HB ))
(( segid "PAH3" and resid 461 and name HA ))
2.500 0.800 0.800 peak 591 spectrum 1 weight 0.10000E+01 volume 0.59793E-02 ppm1 4.254 ppm2 2.170 CV 1
ASSI { 593}
(( segid "PAH3" and resid 461 and name HA ))
( segid "PAH3" and resid 461 and name HG1%)
2.600 0.800 0.800 peak 593 spectrum 1 weight 0.10000E+01 volume 0.51821E-02 ppm1 0.976 ppm2 4.255 CV 1
ASSI { 594}
(( segid "PAH3" and resid 461 and name HB ))
( segid "PAH3" and resid 461 and name HG1%)
2.400 0.700 0.700 peak 594 spectrum 1 weight 0.10000E+01 volume 0.76826E-02 ppm1 0.973 ppm2 2.168 CV 1
ASSI { 595}
(( segid "PAH3" and resid 518 and name HZ2 ))
( segid "PAH3" and resid 463 and name HG2%)
4.200 2.200 1.800 peak 595 spectrum 1 weight 0.10000E+01 volume 0.32324E-03 ppm1 1.297 ppm2 -0.932 CV 1
ASSI { 596}
(( segid "PAH3" and resid 464 and name HG1 ))
(( segid "PAH3" and resid 464 and name HA ))
3.300 1.300 1.300 peak 596 spectrum 1 weight 0.10000E+01 volume 0.92042E-03 ppm1 4.079 ppm2 2.635 CV 1
ASSI { 597}
(( segid "PAH3" and resid 464 and name HG2 ))
(( segid "PAH3" and resid 464 and name HA ))
3.000 1.100 1.100 peak 597 spectrum 1 weight 0.10000E+01 volume 0.35151E-02 ppm1 4.075 ppm2 2.407 CV 1
ASSI { 600}
(( segid "PAH3" and resid 464 and name HG2 ))
(( segid "PAH3" and resid 464 and name HG1 ))
1.900 0.400 0.400 peak 600 spectrum 1 weight 0.10000E+01 volume 0.15728E-01 ppm1 2.636 ppm2 2.405 CV 1
ASSI { 603}
( segid "PAH3" and resid 468 and name HD% )
(( segid "PAH3" and resid 465 and name HA ))
2.800 1.000 1.000 peak 603 spectrum 1 weight 0.10000E+01 volume 0.21670E-02 ppm1 4.311 ppm2 -0.409 CV 1
ASSI { 604}
( segid "PAH3" and resid 467 and name HD% )
(( segid "PAH3" and resid 467 and name HA ))
2.600 0.900 0.900 peak 604 spectrum 1 weight 0.10000E+01 volume 0.40152E-02 ppm1 3.536 ppm2 5.896 CV 1
ASSI { 605}
( segid "PAH3" and resid 467 and name HD% )
(( segid "PAH3" and resid 467 and name HB1 ))
2.600 0.900 0.900 peak 605 spectrum 1 weight 0.10000E+01 volume 0.30150E-02 ppm1 2.141 ppm2 5.893 CV 1
ASSI { 606}
( segid "PAH3" and resid 467 and name HD% )
(( segid "PAH3" and resid 467 and name HB2 ))
2.800 1.000 1.000 peak 606 spectrum 1 weight 0.10000E+01 volume 0.27831E-02 ppm1 1.580 ppm2 5.894 CV 1
ASSI { 607}
( segid "PAH3" and resid 468 and name HD% )
(( segid "PAH3" and resid 468 and name HA ))
2.700 0.900 0.900 peak 607 spectrum 1 weight 0.10000E+01 volume 0.28483E-02 ppm1 3.699 ppm2 -0.411 CV 1
ASSI { 608}
(( segid "PAH3" and resid 468 and name HB2 ))
(( segid "PAH3" and resid 468 and name HB1 ))
2.000 0.500 0.500 peak 608 spectrum 1 weight 0.10000E+01 volume 0.98566E-02 ppm1 3.595 ppm2 2.981 CV 1
ASSI { 609}
( segid "PAH3" and resid 468 and name HD% )
(( segid "PAH3" and resid 468 and name HB1 ))
3.200 1.300 1.300 peak 609 spectrum 1 weight 0.10000E+01 volume 0.15438E-02 ppm1 3.589 ppm2 -0.411 CV 1
ASSI { 611}
( segid "PAH3" and resid 468 and name HD% )
(( segid "PAH3" and resid 468 and name HB2 ))
2.800 1.000 1.000 peak 611 spectrum 1 weight 0.10000E+01 volume 0.18482E-02 ppm1 2.977 ppm2 -0.412 CV 1
ASSI { 613}
( segid "PAH3" and resid 468 and name HD% )
( segid "PAH3" and resid 471 and name HG1%)
4.600 2.600 1.400 peak 613 spectrum 1 weight 0.10000E+01 volume 0.19714E-03 ppm1 0.198 ppm2 -0.413 CV 1
ASSI { 614}
( segid "PAH3" and resid 481 and name HE% )
( segid "PAH3" and resid 471 and name HG1%)
3.100 1.200 1.200 peak 614 spectrum 1 weight 0.10000E+01 volume 0.19279E-02 ppm1 0.199 ppm2 -1.281 CV 1
ASSI { 615}
( segid "PAH3" and resid 484 and name HD% )
( segid "PAH3" and resid 471 and name HG1%)
3.200 1.300 1.300 peak 615 spectrum 1 weight 0.10000E+01 volume 0.12104E-02 ppm1 0.201 ppm2 -1.163 CV 1
ASSI { 616}
( segid "PAH3" and resid 481 and name HD% )
( segid "PAH3" and resid 471 and name HG1%)
2.500 0.800 0.800 peak 616 spectrum 1 weight 0.10000E+01 volume 0.48052E-02 ppm1 0.201 ppm2 -1.050 CV 1
ASSI { 617}
( segid "PAH3" and resid 467 and name HD% )
( segid "PAH3" and resid 471 and name HG2%)
3.800 1.800 1.800 peak 617 spectrum 1 weight 0.10000E+01 volume 0.51313E-03 ppm1 -0.010 ppm2 5.894 CV 1
ASSI { 618}
( segid "PAH3" and resid 467 and name HE% )
( segid "PAH3" and resid 471 and name HG2%)
3.200 1.300 1.300 peak 618 spectrum 1 weight 0.10000E+01 volume 0.12249E-02 ppm1 -0.013 ppm2 -0.836 CV 1
ASSI { 619}
(( segid "PAH3" and resid 467 and name HZ ))
( segid "PAH3" and resid 471 and name HG2%)
2.900 1.100 1.100 peak 619 spectrum 1 weight 0.10000E+01 volume 0.19134E-02 ppm1 -0.013 ppm2 -1.049 CV 1
ASSI { 620}
(( segid "PAH3" and resid 472 and name HB1 ))
(( segid "PAH3" and resid 472 and name HA ))
2.900 1.000 1.000 peak 620 spectrum 1 weight 0.10000E+01 volume 0.34064E-02 ppm1 3.092 ppm2 1.462 CV 1
ASSI { 621}
(( segid "PAH3" and resid 472 and name HB2 ))
(( segid "PAH3" and resid 472 and name HA ))
2.500 0.800 0.800 peak 621 spectrum 1 weight 0.10000E+01 volume 0.42544E-02 ppm1 3.092 ppm2 1.000 CV 1
ASSI { 622}
( segid "PAH3" and resid 481 and name HD% )
(( segid "PAH3" and resid 472 and name HA ))
3.400 1.400 1.400 peak 622 spectrum 1 weight 0.10000E+01 volume 0.82625E-03 ppm1 3.086 ppm2 -1.074 CV 1
ASSI { 623}
( segid "PAH3" and resid 481 and name HD% )
(( segid "PAH3" and resid 472 and name HD2 ))
3.500 1.600 1.600 peak 623 spectrum 1 weight 0.10000E+01 volume 0.39137E-03 ppm1 2.880 ppm2 -1.086 CV 1
OR { 623}
( segid "PAH3" and resid 481 and name HD% )
(( segid "PAH3" and resid 472 and name HD1 ))
ASSI { 624}
( segid "PAH3" and resid 481 and name HE% )
(( segid "PAH3" and resid 472 and name HD1 ))
2.900 2.900 3.100 peak 624 spectrum 1 weight 0.10000E+01 volume 0.12973E-02 ppm1 2.877 ppm2 -1.285 CV 1
OR { 624}
( segid "PAH3" and resid 481 and name HE% )
(( segid "PAH3" and resid 472 and name HD2 ))
ASSI { 625}
( segid "PAH3" and resid 474 and name HB% )
(( segid "PAH3" and resid 474 and name HA ))
2.100 0.500 0.500 peak 625 spectrum 1 weight 0.10000E+01 volume 0.16814E-01 ppm1 3.699 ppm2 0.304 CV 1
ASSI { 627}
( segid "PAH3" and resid 512 and name HD% )
( segid "PAH3" and resid 474 and name HB% )
3.000 1.100 1.100 peak 627 spectrum 1 weight 0.10000E+01 volume 0.24497E-02 ppm1 0.305 ppm2 -0.800 CV 1
ASSI { 628}
( segid "PAH3" and resid 512 and name HE% )
( segid "PAH3" and resid 474 and name HB% )
2.900 1.000 1.000 peak 628 spectrum 1 weight 0.10000E+01 volume 0.24787E-02 ppm1 0.306 ppm2 -0.716 CV 1
ASSI { 631}
( segid "PAH3" and resid 512 and name HE% )
( segid "PAH3" and resid 475 and name HD1%)
2.600 0.800 0.800 peak 631 spectrum 1 weight 0.10000E+01 volume 0.43413E-02 ppm1 0.995 ppm2 -0.712 CV 1
ASSI { 632}
( segid "PAH3" and resid 481 and name HD% )
( segid "PAH3" and resid 475 and name HD2%)
2.800 1.000 1.000 peak 632 spectrum 1 weight 0.10000E+01 volume 0.26744E-02 ppm1 0.677 ppm2 -1.067 CV 1
ASSI { 634}
( segid "PAH3" and resid 508 and name HD% )
( segid "PAH3" and resid 475 and name HD2%)
3.800 1.800 1.800 peak 634 spectrum 1 weight 0.10000E+01 volume 0.33557E-03 ppm1 0.679 ppm2 -0.771 CV 1
ASSI { 635}
(( segid "PAH3" and resid 478 and name HA ))
( segid "PAH3" and resid 478 and name HB% )
2.100 0.600 0.600 peak 635 spectrum 1 weight 0.10000E+01 volume 0.16234E-01 ppm1 1.509 ppm2 4.204 CV 1
ASSI { 637}
( segid "PAH3" and resid 508 and name HE% )
(( segid "PAH3" and resid 480 and name HA ))
3.200 1.300 1.300 peak 637 spectrum 1 weight 0.10000E+01 volume 0.76101E-03 ppm1 4.486 ppm2 -0.561 CV 1
ASSI { 639}
( segid "PAH3" and resid 508 and name HD% )
( segid "PAH3" and resid 480 and name HB% )
3.100 1.200 1.200 peak 639 spectrum 1 weight 0.10000E+01 volume 0.94941E-03 ppm1 1.661 ppm2 -0.765 CV 1
ASSI { 640}
( segid "PAH3" and resid 508 and name HE% )
( segid "PAH3" and resid 480 and name HB% )
3.000 1.100 1.100 peak 640 spectrum 1 weight 0.10000E+01 volume 0.12973E-02 ppm1 1.661 ppm2 -0.558 CV 1
ASSI { 642}
( segid "PAH3" and resid 481 and name HD% )
(( segid "PAH3" and resid 481 and name HA ))
2.600 0.900 0.900 peak 642 spectrum 1 weight 0.10000E+01 volume 0.40587E-02 ppm1 4.124 ppm2 -1.071 CV 1
ASSI { 647}
(( segid "PAH3" and resid 508 and name HZ ))
(( segid "PAH3" and resid 483 and name HB1 ))
3.600 1.600 1.600 peak 647 spectrum 1 weight 0.10000E+01 volume 0.58126E-03 ppm1 3.102 ppm2 -0.841 CV 1
ASSI { 648}
(( segid "PAH3" and resid 508 and name HZ ))
(( segid "PAH3" and resid 483 and name HB2 ))
3.600 1.600 1.600 peak 648 spectrum 1 weight 0.10000E+01 volume 0.75376E-03 ppm1 2.755 ppm2 -0.845 CV 1
ASSI { 650}
( segid "PAH3" and resid 515 and name HD1%)
(( segid "PAH3" and resid 514 and name HB2 ))
2.900 2.900 3.100 peak 650 spectrum 1 weight 0.10000E+01 volume 0.11669E-02 ppm1 2.170 ppm2 0.733 CV 1
OR { 650}
( segid "PAH3" and resid 515 and name HD1%)
(( segid "PAH3" and resid 514 and name HB1 ))
ASSI { 651}
(( segid "PAH3" and resid 484 and name HB2 ))
(( segid "PAH3" and resid 484 and name HA ))
2.500 0.800 0.800 peak 651 spectrum 1 weight 0.10000E+01 volume 0.39065E-02 ppm1 3.648 ppm2 2.244 CV 1
ASSI { 652}
( segid "PAH3" and resid 484 and name HD% )
(( segid "PAH3" and resid 484 and name HA ))
3.300 1.400 1.400 peak 652 spectrum 1 weight 0.10000E+01 volume 0.10002E-02 ppm1 3.638 ppm2 -1.152 CV 1
ASSI { 653}
(( segid "PAH3" and resid 484 and name HB2 ))
(( segid "PAH3" and resid 484 and name HB1 ))
2.200 0.600 0.600 peak 653 spectrum 1 weight 0.10000E+01 volume 0.46965E-02 ppm1 3.181 ppm2 2.244 CV 1
ASSI { 654}
( segid "PAH3" and resid 484 and name HD% )
(( segid "PAH3" and resid 484 and name HB1 ))
3.400 1.500 1.500 peak 654 spectrum 1 weight 0.10000E+01 volume 0.55155E-03 ppm1 3.193 ppm2 -1.162 CV 1
ASSI { 656}
( segid "PAH3" and resid 484 and name HD% )
(( segid "PAH3" and resid 484 and name HB2 ))
3.300 1.400 1.400 peak 656 spectrum 1 weight 0.10000E+01 volume 0.10726E-02 ppm1 2.246 ppm2 -1.148 CV 1
ASSI { 658}
( segid "PAH3" and resid 481 and name HE% )
( segid "PAH3" and resid 485 and name HD1%)
3.600 1.600 1.600 peak 658 spectrum 1 weight 0.10000E+01 volume 0.51096E-03 ppm1 0.547 ppm2 -1.277 CV 1
ASSI { 659}
( segid "PAH3" and resid 484 and name HD% )
( segid "PAH3" and resid 485 and name HD1%)
3.900 1.900 1.900 peak 659 spectrum 1 weight 0.10000E+01 volume 0.11161E-02 ppm1 0.542 ppm2 -1.158 CV 1
ASSI { 660}
( segid "PAH3" and resid 481 and name HD% )
( segid "PAH3" and resid 485 and name HD1%)
3.200 1.300 1.300 peak 660 spectrum 1 weight 0.10000E+01 volume 0.12539E-02 ppm1 0.547 ppm2 -1.050 CV 1
ASSI { 668}
( segid "PAH3" and resid 484 and name HE% )
( segid "PAH3" and resid 485 and name HD2%)
4.100 2.100 1.900 peak 668 spectrum 1 weight 0.10000E+01 volume 0.33339E-03 ppm1 0.474 ppm2 -1.074 CV 1
ASSI { 669}
( segid "PAH3" and resid 481 and name HE% )
( segid "PAH3" and resid 485 and name HD2%)
3.200 1.300 1.300 peak 669 spectrum 1 weight 0.10000E+01 volume 0.13988E-02 ppm1 0.469 ppm2 -1.285 CV 1
ASSI { 670}
(( segid "PAH3" and resid 487 and name HB1 ))
(( segid "PAH3" and resid 487 and name HA ))
3.400 1.400 1.400 peak 670 spectrum 1 weight 0.10000E+01 volume 0.53270E-03 ppm1 4.090 ppm2 3.297 CV 1
ASSI { 676}
( segid "PAH3" and resid 468 and name HE% )
( segid "PAH3" and resid 488 and name HD1%)
3.200 1.200 1.200 peak 676 spectrum 1 weight 0.10000E+01 volume 0.12321E-02 ppm1 0.232 ppm2 -0.552 CV 1
ASSI { 677}
( segid "PAH3" and resid 484 and name HE% )
( segid "PAH3" and resid 488 and name HD1%)
2.700 0.900 0.900 peak 677 spectrum 1 weight 0.10000E+01 volume 0.26164E-02 ppm1 0.232 ppm2 -1.051 CV 1
ASSI { 682}
( segid "PAH3" and resid 484 and name HE% )
( segid "PAH3" and resid 488 and name HD2%)
2.900 1.100 1.100 peak 682 spectrum 1 weight 0.10000E+01 volume 0.24279E-02 ppm1 0.043 ppm2 -1.046 CV 1
ASSI { 683}
( segid "PAH3" and resid 519 and name HD% )
( segid "PAH3" and resid 488 and name HD2%)
3.800 1.800 1.800 peak 683 spectrum 1 weight 0.10000E+01 volume 0.85525E-03 ppm1 0.042 ppm2 -0.697 CV 1
ASSI { 693}
(( segid "PAH3" and resid 492 and name HB2 ))
(( segid "PAH3" and resid 492 and name HA ))
2.800 1.000 1.000 peak 693 spectrum 1 weight 0.10000E+01 volume 0.28701E-02 ppm1 4.373 ppm2 2.956 CV 1
ASSI { 694}
(( segid "PAH3" and resid 492 and name HB2 ))
(( segid "PAH3" and resid 492 and name HB1 ))
2.100 0.500 0.500 peak 694 spectrum 1 weight 0.10000E+01 volume 0.81900E-02 ppm1 3.418 ppm2 2.964 CV 1
ASSI { 696}
(( segid "PAH3" and resid 493 and name HB2 ))
(( segid "PAH3" and resid 493 and name HB1 ))
2.000 0.500 0.500 peak 696 spectrum 1 weight 0.10000E+01 volume 0.75376E-02 ppm1 2.239 ppm2 1.515 CV 1
ASSI { 697}
(( segid "PAH3" and resid 494 and name HB1 ))
(( segid "PAH3" and resid 494 and name HA ))
2.300 0.700 0.700 peak 697 spectrum 1 weight 0.10000E+01 volume 0.94216E-02 ppm1 3.899 ppm2 2.110 CV 1
OR { 697}
(( segid "PAH3" and resid 494 and name HB2 ))
(( segid "PAH3" and resid 494 and name HA ))
ASSI { 705}
(( segid "PAH3" and resid 496 and name HB ))
(( segid "PAH3" and resid 496 and name HA ))
2.700 0.900 0.900 peak 705 spectrum 1 weight 0.10000E+01 volume 0.26382E-02 ppm1 5.075 ppm2 2.291 CV 1
ASSI { 707}
(( segid "PAH3" and resid 497 and name HA ))
(( segid "PAH3" and resid 497 and name HB2 ))
2.700 0.900 0.900 peak 707 spectrum 1 weight 0.10000E+01 volume 0.36818E-02 ppm1 4.063 ppm2 4.810 CV 1
ASSI { 709}
(( segid "PAH3" and resid 498 and name HB2 ))
(( segid "PAH3" and resid 498 and name HA ))
3.100 1.200 1.200 peak 709 spectrum 1 weight 0.10000E+01 volume 0.13480E-02 ppm1 4.021 ppm2 1.819 CV 1
ASSI { 710}
(( segid "PAH3" and resid 498 and name HG2 ))
(( segid "PAH3" and resid 498 and name HA ))
3.000 1.100 1.100 peak 710 spectrum 1 weight 0.10000E+01 volume 0.15728E-02 ppm1 4.023 ppm2 1.734 CV 1
ASSI { 711}
( segid "PAH3" and resid 525 and name HD% )
(( segid "PAH3" and resid 499 and name HA ))
3.600 1.600 1.600 peak 711 spectrum 1 weight 0.10000E+01 volume 0.62185E-03 ppm1 3.990 ppm2 -1.109 CV 1
ASSI { 712}
( segid "PAH3" and resid 525 and name HE% )
(( segid "PAH3" and resid 499 and name HA ))
3.600 1.600 1.600 peak 712 spectrum 1 weight 0.10000E+01 volume 0.66605E-03 ppm1 3.988 ppm2 -1.254 CV 1
ASSI { 713}
( segid "PAH3" and resid 525 and name HD% )
( segid "PAH3" and resid 499 and name HB% )
3.500 1.600 1.600 peak 713 spectrum 1 weight 0.10000E+01 volume 0.11669E-02 ppm1 1.571 ppm2 -1.112 CV 1
ASSI { 714}
( segid "PAH3" and resid 525 and name HE% )
( segid "PAH3" and resid 499 and name HB% )
2.700 0.900 0.900 peak 714 spectrum 1 weight 0.10000E+01 volume 0.34861E-02 ppm1 1.571 ppm2 -1.257 CV 1
ASSI { 715}
( segid "PAH3" and resid 501 and name HD1%)
(( segid "PAH3" and resid 501 and name HA ))
2.400 0.700 0.700 peak 715 spectrum 1 weight 0.10000E+01 volume 0.56821E-02 ppm1 4.040 ppm2 0.895 CV 1
ASSI { 716}
( segid "PAH3" and resid 519 and name HE% )
( segid "PAH3" and resid 501 and name HD2%)
3.700 1.700 1.700 peak 716 spectrum 1 weight 0.10000E+01 volume 0.80451E-03 ppm1 0.545 ppm2 -0.981 CV 1
ASSI { 718}
(( segid "PAH3" and resid 501 and name HB1 ))
( segid "PAH3" and resid 501 and name HD2%)
3.100 1.200 1.200 peak 718 spectrum 1 weight 0.10000E+01 volume 0.13480E-02 ppm1 0.546 ppm2 2.253 CV 1
ASSI { 720}
(( segid "PAH3" and resid 501 and name HG ))
( segid "PAH3" and resid 501 and name HD2%)
2.700 0.900 0.900 peak 720 spectrum 1 weight 0.10000E+01 volume 0.31020E-02 ppm1 0.547 ppm2 1.597 CV 1
ASSI { 722}
( segid "PAH3" and resid 519 and name HD% )
(( segid "PAH3" and resid 502 and name HA ))
3.500 1.600 1.600 peak 722 spectrum 1 weight 0.10000E+01 volume 0.69143E-03 ppm1 3.569 ppm2 -0.687 CV 1
ASSI { 723}
( segid "PAH3" and resid 516 and name HE% )
( segid "PAH3" and resid 502 and name HG2%)
3.400 1.400 1.400 peak 723 spectrum 1 weight 0.10000E+01 volume 0.25149E-02 ppm1 0.614 ppm2 -0.640 CV 1
ASSI { 730}
( segid "PAH3" and resid 508 and name HD% )
(( segid "PAH3" and resid 505 and name HA ))
2.600 0.800 0.800 peak 730 spectrum 1 weight 0.10000E+01 volume 0.27758E-02 ppm1 4.890 ppm2 -0.764 CV 1
ASSI { 731}
( segid "PAH3" and resid 508 and name HD% )
(( segid "PAH3" and resid 505 and name HB ))
4.800 2.800 1.200 peak 731 spectrum 1 weight 0.10000E+01 volume 0.42906E-03 ppm1 2.576 ppm2 -0.775 CV 1
ASSI { 732}
( segid "PAH3" and resid 484 and name HE% )
( segid "PAH3" and resid 505 and name HG1%)
3.200 1.300 1.300 peak 732 spectrum 1 weight 0.10000E+01 volume 0.13698E-02 ppm1 1.098 ppm2 -1.049 CV 1
ASSI { 733}
( segid "PAH3" and resid 516 and name HE% )
( segid "PAH3" and resid 505 and name HG1%)
2.700 0.900 0.900 peak 733 spectrum 1 weight 0.10000E+01 volume 0.31600E-02 ppm1 1.100 ppm2 -0.641 CV 1
ASSI { 734}
( segid "PAH3" and resid 516 and name HD% )
( segid "PAH3" and resid 505 and name HG1%)
3.500 1.600 1.600 peak 734 spectrum 1 weight 0.10000E+01 volume 0.88425E-03 ppm1 1.098 ppm2 -0.534 CV 1
ASSI { 735}
( segid "PAH3" and resid 519 and name HD% )
( segid "PAH3" and resid 505 and name HG1%)
2.500 0.800 0.800 peak 735 spectrum 1 weight 0.10000E+01 volume 0.52908E-02 ppm1 1.099 ppm2 -0.697 CV 1
ASSI { 736}
( segid "PAH3" and resid 484 and name HD% )
( segid "PAH3" and resid 505 and name HG2%)
2.900 1.100 1.100 peak 736 spectrum 1 weight 0.10000E+01 volume 0.17757E-02 ppm1 1.038 ppm2 -1.162 CV 1
ASSI { 737}
( segid "PAH3" and resid 484 and name HE% )
( segid "PAH3" and resid 505 and name HG2%)
2.900 1.000 1.000 peak 737 spectrum 1 weight 0.10000E+01 volume 0.30295E-02 ppm1 1.039 ppm2 -1.048 CV 1
ASSI { 738}
( segid "PAH3" and resid 516 and name HE% )
( segid "PAH3" and resid 505 and name HG2%)
3.800 1.800 1.800 peak 738 spectrum 1 weight 0.10000E+01 volume 0.24279E-03 ppm1 1.043 ppm2 -0.646 CV 1
ASSI { 739}
( segid "PAH3" and resid 516 and name HE% )
(( segid "PAH3" and resid 506 and name HA ))
3.200 1.300 1.300 peak 739 spectrum 1 weight 0.10000E+01 volume 0.11741E-02 ppm1 3.832 ppm2 -0.640 CV 1
ASSI { 740}
(( segid "PAH3" and resid 516 and name HZ ))
(( segid "PAH3" and resid 506 and name HA ))
3.300 1.300 1.300 peak 740 spectrum 1 weight 0.10000E+01 volume 0.16018E-02 ppm1 3.832 ppm2 -0.532 CV 1
OR { 740}
( segid "PAH3" and resid 516 and name HD% )
(( segid "PAH3" and resid 506 and name HA ))
ASSI { 741}
( segid "PAH3" and resid 516 and name HE% )
(( segid "PAH3" and resid 506 and name HB2 ))
3.600 1.600 1.600 peak 741 spectrum 1 weight 0.10000E+01 volume 0.64576E-03 ppm1 4.262 ppm2 -0.646 CV 1
ASSI { 742}
(( segid "PAH3" and resid 516 and name HZ ))
(( segid "PAH3" and resid 506 and name HB2 ))
2.800 1.000 1.000 peak 742 spectrum 1 weight 0.10000E+01 volume 0.21525E-02 ppm1 4.260 ppm2 -0.534 CV 1
OR { 742}
( segid "PAH3" and resid 516 and name HD% )
(( segid "PAH3" and resid 506 and name HB2 ))
ASSI { 743}
(( segid "PAH3" and resid 507 and name HB1 ))
(( segid "PAH3" and resid 507 and name HA ))
2.300 0.600 0.600 peak 743 spectrum 1 weight 0.10000E+01 volume 0.76101E-02 ppm1 4.256 ppm2 2.215 CV 1
ASSI { 744}
(( segid "PAH3" and resid 507 and name HG1 ))
(( segid "PAH3" and resid 507 and name HA ))
3.000 1.100 1.100 peak 744 spectrum 1 weight 0.10000E+01 volume 0.32469E-02 ppm1 4.258 ppm2 1.950 CV 1
OR { 744}
(( segid "PAH3" and resid 507 and name HG2 ))
(( segid "PAH3" and resid 507 and name HA ))
ASSI { 746}
(( segid "PAH3" and resid 507 and name HB2 ))
(( segid "PAH3" and resid 507 and name HB1 ))
1.800 0.400 0.400 peak 746 spectrum 1 weight 0.10000E+01 volume 0.16959E-01 ppm1 2.214 ppm2 1.077 CV 1
ASSI { 750}
(( segid "PAH3" and resid 507 and name HG2 ))
(( segid "PAH3" and resid 507 and name HB2 ))
2.400 0.700 0.700 peak 750 spectrum 1 weight 0.10000E+01 volume 0.58054E-02 ppm1 1.077 ppm2 1.947 CV 1
OR { 750}
(( segid "PAH3" and resid 507 and name HG1 ))
(( segid "PAH3" and resid 507 and name HB2 ))
ASSI { 751}
(( segid "PAH3" and resid 507 and name HD2 ))
(( segid "PAH3" and resid 507 and name HD1 ))
1.700 0.400 0.500 peak 751 spectrum 1 weight 0.10000E+01 volume 0.15655E-01 ppm1 3.836 ppm2 3.675 CV 1
ASSI { 752}
(( segid "PAH3" and resid 507 and name HG1 ))
(( segid "PAH3" and resid 507 and name HD1 ))
2.300 0.700 0.700 peak 752 spectrum 1 weight 0.10000E+01 volume 0.60083E-02 ppm1 3.833 ppm2 1.948 CV 1
OR { 752}
(( segid "PAH3" and resid 507 and name HG2 ))
(( segid "PAH3" and resid 507 and name HD1 ))
ASSI { 754}
(( segid "PAH3" and resid 507 and name HG2 ))
(( segid "PAH3" and resid 507 and name HD2 ))
2.400 0.700 0.700 peak 754 spectrum 1 weight 0.10000E+01 volume 0.49936E-02 ppm1 3.679 ppm2 1.952 CV 1
OR { 754}
(( segid "PAH3" and resid 507 and name HG1 ))
(( segid "PAH3" and resid 507 and name HD2 ))
ASSI { 757}
(( segid "PAH3" and resid 507 and name HB1 ))
(( segid "PAH3" and resid 507 and name HG1 ))
2.100 0.600 0.600 peak 757 spectrum 1 weight 0.10000E+01 volume 0.12394E-01 ppm1 1.952 ppm2 2.208 CV 1
OR { 757}
(( segid "PAH3" and resid 507 and name HB1 ))
(( segid "PAH3" and resid 507 and name HG2 ))
ASSI { 761}
( segid "PAH3" and resid 508 and name HD% )
(( segid "PAH3" and resid 508 and name HA ))
3.200 1.300 1.300 peak 761 spectrum 1 weight 0.10000E+01 volume 0.13480E-02 ppm1 4.374 ppm2 -0.770 CV 1
ASSI { 763}
(( segid "PAH3" and resid 467 and name HZ ))
( segid "PAH3" and resid 509 and name HD1%)
2.900 1.000 1.000 peak 763 spectrum 1 weight 0.10000E+01 volume 0.22758E-02 ppm1 0.617 ppm2 -1.048 CV 1
ASSI { 765}
( segid "PAH3" and resid 512 and name HD% )
( segid "PAH3" and resid 509 and name HD2%)
3.400 1.400 1.400 peak 765 spectrum 1 weight 0.10000E+01 volume 0.14205E-02 ppm1 0.484 ppm2 -0.799 CV 1
ASSI { 766}
( segid "PAH3" and resid 512 and name HE% )
( segid "PAH3" and resid 509 and name HD2%)
3.400 1.400 1.400 peak 766 spectrum 1 weight 0.10000E+01 volume 0.52255E-03 ppm1 0.482 ppm2 -0.696 CV 1
ASSI { 767}
(( segid "PAH3" and resid 510 and name HA2 ))
(( segid "PAH3" and resid 510 and name HA1 ))
1.900 0.500 0.500 peak 767 spectrum 1 weight 0.10000E+01 volume 0.14495E-01 ppm1 3.785 ppm2 3.441 CV 1
ASSI { 769}
( segid "PAH3" and resid 512 and name HD% )
(( segid "PAH3" and resid 511 and name HD1 ))
3.300 1.400 1.400 peak 769 spectrum 1 weight 0.10000E+01 volume 0.12683E-02 ppm1 1.478 ppm2 -0.796 CV 1
OR { 769}
( segid "PAH3" and resid 512 and name HD% )
(( segid "PAH3" and resid 511 and name HD2 ))
ASSI { 770}
( segid "PAH3" and resid 512 and name HE% )
(( segid "PAH3" and resid 511 and name HD1 ))
3.500 1.600 1.600 peak 770 spectrum 1 weight 0.10000E+01 volume 0.69360E-03 ppm1 1.479 ppm2 -0.712 CV 1
OR { 770}
( segid "PAH3" and resid 512 and name HE% )
(( segid "PAH3" and resid 511 and name HD2 ))
ASSI { 771}
( segid "PAH3" and resid 512 and name HE% )
(( segid "PAH3" and resid 511 and name HE2 ))
3.500 1.600 1.600 peak 771 spectrum 1 weight 0.10000E+01 volume 0.75376E-03 ppm1 2.871 ppm2 -0.715 CV 1
OR { 771}
( segid "PAH3" and resid 512 and name HE% )
(( segid "PAH3" and resid 511 and name HE1 ))
ASSI { 772}
( segid "PAH3" and resid 512 and name HD% )
(( segid "PAH3" and resid 512 and name HA ))
2.900 1.100 1.100 peak 772 spectrum 1 weight 0.10000E+01 volume 0.19569E-02 ppm1 5.214 ppm2 -0.792 CV 1
ASSI { 776}
(( segid "PAH3" and resid 513 and name HG1 ))
(( segid "PAH3" and resid 513 and name HB2 ))
2.600 0.800 0.800 peak 776 spectrum 1 weight 0.10000E+01 volume 0.67983E-02 ppm1 2.093 ppm2 2.219 CV 1
ASSI { 778}
(( segid "PAH3" and resid 513 and name HD2 ))
(( segid "PAH3" and resid 513 and name HG1 ))
3.300 1.300 1.300 peak 778 spectrum 1 weight 0.10000E+01 volume 0.17104E-02 ppm1 2.214 ppm2 3.574 CV 1
ASSI { 779}
(( segid "PAH3" and resid 513 and name HD1 ))
(( segid "PAH3" and resid 513 and name HG2 ))
3.400 1.400 1.400 peak 779 spectrum 1 weight 0.10000E+01 volume 0.19569E-02 ppm1 2.073 ppm2 3.882 CV 1
ASSI { 780}
(( segid "PAH3" and resid 513 and name HG1 ))
(( segid "PAH3" and resid 513 and name HG2 ))
1.700 0.400 0.500 peak 780 spectrum 1 weight 0.10000E+01 volume 0.21815E-01 ppm1 2.077 ppm2 2.214 CV 1
ASSI { 782}
( segid "PAH3" and resid 515 and name HD1%)
(( segid "PAH3" and resid 515 and name HA ))
2.400 0.700 0.700 peak 782 spectrum 1 weight 0.10000E+01 volume 0.48994E-02 ppm1 4.667 ppm2 0.717 CV 1
ASSI { 783}
(( segid "PAH3" and resid 515 and name HB2 ))
(( segid "PAH3" and resid 515 and name HB1 ))
2.000 0.500 0.500 peak 783 spectrum 1 weight 0.10000E+01 volume 0.66316E-02 ppm1 2.306 ppm2 1.513 CV 1
ASSI { 784}
( segid "PAH3" and resid 467 and name HE% )
( segid "PAH3" and resid 515 and name HD1%)
3.300 1.400 1.400 peak 784 spectrum 1 weight 0.10000E+01 volume 0.14495E-02 ppm1 0.722 ppm2 -0.836 CV 1
ASSI { 785}
( segid "PAH3" and resid 512 and name HD% )
( segid "PAH3" and resid 515 and name HD2%)
3.200 1.300 1.300 peak 785 spectrum 1 weight 0.10000E+01 volume 0.15075E-02 ppm1 0.449 ppm2 -0.800 CV 1
ASSI { 786}
( segid "PAH3" and resid 516 and name HD% )
(( segid "PAH3" and resid 516 and name HA ))
2.400 0.700 0.700 peak 786 spectrum 1 weight 0.10000E+01 volume 0.53270E-02 ppm1 4.876 ppm2 -0.504 CV 1
ASSI { 787}
( segid "PAH3" and resid 516 and name HE% )
(( segid "PAH3" and resid 516 and name HA ))
4.200 2.200 1.800 peak 787 spectrum 1 weight 0.10000E+01 volume 0.82625E-03 ppm1 4.883 ppm2 -0.627 CV 1
ASSI { 788}
(( segid "PAH3" and resid 516 and name HB2 ))
(( segid "PAH3" and resid 516 and name HA ))
2.800 1.000 1.000 peak 788 spectrum 1 weight 0.10000E+01 volume 0.29498E-02 ppm1 4.880 ppm2 3.425 CV 1
OR { 788}
(( segid "PAH3" and resid 516 and name HB1 ))
(( segid "PAH3" and resid 516 and name HA ))
ASSI { 789}
(( segid "PAH3" and resid 518 and name HB2 ))
(( segid "PAH3" and resid 518 and name HA ))
2.600 0.800 0.800 peak 789 spectrum 1 weight 0.10000E+01 volume 0.36383E-02 ppm1 4.033 ppm2 3.482 CV 1
ASSI { 790}
(( segid "PAH3" and resid 518 and name HD1 ))
(( segid "PAH3" and resid 518 and name HA ))
3.700 1.700 1.700 peak 790 spectrum 1 weight 0.10000E+01 volume 0.73201E-03 ppm1 4.032 ppm2 -0.782 CV 1
ASSI { 791}
(( segid "PAH3" and resid 518 and name HB1 ))
(( segid "PAH3" and resid 518 and name HB2 ))
2.200 0.600 0.600 peak 791 spectrum 1 weight 0.10000E+01 volume 0.48921E-02 ppm1 3.479 ppm2 3.642 CV 1
ASSI { 792}
(( segid "PAH3" and resid 518 and name HE3 ))
(( segid "PAH3" and resid 519 and name HA ))
3.100 1.200 1.200 peak 792 spectrum 1 weight 0.10000E+01 volume 0.10726E-02 ppm1 3.888 ppm2 6.179 CV 1
ASSI { 793}
( segid "PAH3" and resid 519 and name HD% )
(( segid "PAH3" and resid 519 and name HA ))
3.100 1.200 1.200 peak 793 spectrum 1 weight 0.10000E+01 volume 0.10002E-02 ppm1 3.885 ppm2 -0.692 CV 1
ASSI { 795}
( segid "PAH3" and resid 519 and name HD% )
(( segid "PAH3" and resid 519 and name HB2 ))
3.100 1.200 1.200 peak 795 spectrum 1 weight 0.10000E+01 volume 0.12394E-02 ppm1 3.616 ppm2 -0.696 CV 1
OR { 795}
( segid "PAH3" and resid 519 and name HD% )
(( segid "PAH3" and resid 519 and name HB1 ))
ASSI { 796}
(( segid "PAH3" and resid 522 and name HB2 ))
(( segid "PAH3" and resid 522 and name HA ))
2.600 0.900 0.900 peak 796 spectrum 1 weight 0.10000E+01 volume 0.32687E-02 ppm1 3.819 ppm2 1.946 CV 1
ASSI { 797}
( segid "PAH3" and resid 522 and name HD% )
(( segid "PAH3" and resid 522 and name HA ))
2.600 0.900 0.900 peak 797 spectrum 1 weight 0.10000E+01 volume 0.37977E-02 ppm1 3.820 ppm2 -1.178 CV 1
ASSI { 798}
(( segid "PAH3" and resid 522 and name HB2 ))
(( segid "PAH3" and resid 522 and name HB1 ))
2.100 0.500 0.500 peak 798 spectrum 1 weight 0.10000E+01 volume 0.72042E-02 ppm1 2.513 ppm2 1.948 CV 1
ASSI { 799}
( segid "PAH3" and resid 522 and name HD% )
(( segid "PAH3" and resid 522 and name HB1 ))
3.200 1.300 1.300 peak 799 spectrum 1 weight 0.10000E+01 volume 0.81900E-03 ppm1 2.514 ppm2 -1.185 CV 1
ASSI { 801}
( segid "PAH3" and resid 522 and name HD% )
(( segid "PAH3" and resid 522 and name HB2 ))
3.400 1.500 1.500 peak 801 spectrum 1 weight 0.10000E+01 volume 0.10726E-02 ppm1 1.949 ppm2 -1.179 CV 1
ASSI { 802}
(( segid "PAH3" and resid 523 and name HB2 ))
(( segid "PAH3" and resid 523 and name HB1 ))
1.900 0.400 0.400 peak 802 spectrum 1 weight 0.10000E+01 volume 0.12249E-01 ppm1 1.574 ppm2 1.309 CV 1
ASSI { 811}
( segid "PAH3" and resid 519 and name HD% )
( segid "PAH3" and resid 523 and name HD2%)
3.500 1.500 1.500 peak 811 spectrum 1 weight 0.10000E+01 volume 0.92042E-03 ppm1 0.359 ppm2 -0.691 CV 1
ASSI { 812}
( segid "PAH3" and resid 525 and name HD% )
(( segid "PAH3" and resid 525 and name HA ))
2.700 0.900 0.900 peak 812 spectrum 1 weight 0.10000E+01 volume 0.33919E-02 ppm1 4.316 ppm2 -1.106 CV 1
ASSI { 813}
( segid "PAH3" and resid 525 and name HE% )
(( segid "PAH3" and resid 525 and name HA ))
4.400 2.400 1.600 peak 813 spectrum 1 weight 0.10000E+01 volume 0.40804E-03 ppm1 4.317 ppm2 -1.257 CV 1
ASSI { 814}
(( segid "PAH3" and resid 525 and name HB2 ))
(( segid "PAH3" and resid 525 and name HB1 ))
1.800 0.400 0.400 peak 814 spectrum 1 weight 0.10000E+01 volume 0.15728E-01 ppm1 2.760 ppm2 2.552 CV 1
ASSI { 815}
( segid "PAH3" and resid 525 and name HD% )
(( segid "PAH3" and resid 525 and name HB1 ))
2.800 1.000 1.000 peak 815 spectrum 1 weight 0.10000E+01 volume 0.23989E-02 ppm1 2.760 ppm2 -1.106 CV 1
ASSI { 817}
( segid "PAH3" and resid 525 and name HD% )
(( segid "PAH3" and resid 525 and name HB2 ))
2.800 1.000 1.000 peak 817 spectrum 1 weight 0.10000E+01 volume 0.26889E-02 ppm1 2.555 ppm2 -1.110 CV 1
ASSI { 818}
( segid "PAH3" and resid 525 and name HE% )
(( segid "PAH3" and resid 527 and name HA ))
3.900 1.900 1.900 peak 818 spectrum 1 weight 0.10000E+01 volume 0.46312E-03 ppm1 4.108 ppm2 -1.253 CV 1
ASSI { 819}
( segid "PAH3" and resid 525 and name HD% )
(( segid "PAH3" and resid 527 and name HG2 ))
4.700 2.700 1.300 peak 819 spectrum 1 weight 0.10000E+01 volume 0.18047E-03 ppm1 2.220 ppm2 -1.117 CV 1
OR { 819}
( segid "PAH3" and resid 525 and name HD% )
(( segid "PAH3" and resid 527 and name HG1 ))
ASSI { 820}
( segid "PAH3" and resid 525 and name HE% )
(( segid "PAH3" and resid 527 and name HG2 ))
3.600 1.600 1.600 peak 820 spectrum 1 weight 0.10000E+01 volume 0.75376E-03 ppm1 2.227 ppm2 -1.256 CV 1
OR { 820}
( segid "PAH3" and resid 525 and name HE% )
(( segid "PAH3" and resid 527 and name HG1 ))
ASSI { 821}
(( segid "PAH3" and resid 520 and name HE2 ))
(( segid "PAH3" and resid 517 and name HA ))
3.400 1.400 1.400 peak 821 spectrum 1 weight 0.10000E+01 volume 0.13988E-02 ppm1 4.413 ppm2 1.668 CV 1
ASSI { 822}
(( segid "PAH3" and resid 475 and name HB1 ))
(( segid "PAH3" and resid 475 and name HA ))
2.600 0.800 0.800 peak 822 spectrum 1 weight 0.10000E+01 volume 0.32687E-02 ppm1 4.143 ppm2 1.751 CV 1
ASSI { 823}
(( segid "PAH3" and resid 458 and name HB1 ))
(( segid "PAH3" and resid 458 and name HA ))
2.800 0.900 0.900 peak 823 spectrum 1 weight 0.10000E+01 volume 0.29498E-02 ppm1 4.287 ppm2 1.767 CV 1
ASSI { 824}
(( segid "PAH3" and resid 458 and name HB2 ))
(( segid "PAH3" and resid 458 and name HA ))
3.100 1.200 1.200 peak 824 spectrum 1 weight 0.10000E+01 volume 0.20438E-02 ppm1 4.280 ppm2 1.676 CV 1
ASSI { 827}
(( segid "PAH3" and resid 469 and name HB1 ))
(( segid "PAH3" and resid 466 and name HA ))
2.600 0.800 0.800 peak 827 spectrum 1 weight 0.10000E+01 volume 0.36166E-02 ppm1 4.146 ppm2 2.740 CV 1
ASSI { 829}
( segid "PAH3" and resid 495 and name HG1%)
(( segid "PAH3" and resid 496 and name HA ))
3.200 1.300 1.300 peak 829 spectrum 1 weight 0.10000E+01 volume 0.13480E-02 ppm1 5.070 ppm2 0.932 CV 1
ASSI { 831}
( segid "PAH3" and resid 504 and name HD2%)
(( segid "PAH3" and resid 504 and name HA ))
2.200 0.600 0.600 peak 831 spectrum 1 weight 0.10000E+01 volume 0.92042E-02 ppm1 4.248 ppm2 0.736 CV 1
ASSI { 833}
( segid "PAH3" and resid 489 and name HG1%)
(( segid "PAH3" and resid 489 and name HB ))
2.400 0.700 0.700 peak 833 spectrum 1 weight 0.10000E+01 volume 0.58924E-02 ppm1 2.438 ppm2 1.111 CV 1
ASSI { 837}
(( segid "PAH3" and resid 511 and name HG1 ))
(( segid "PAH3" and resid 511 and name HB2 ))
2.300 0.600 0.600 peak 837 spectrum 1 weight 0.10000E+01 volume 0.10509E-01 ppm1 1.115 ppm2 0.969 CV 1
ASSI { 838}
(( segid "PAH3" and resid 484 and name HB1 ))
(( segid "PAH3" and resid 484 and name HA ))
3.100 1.200 1.200 peak 838 spectrum 1 weight 0.10000E+01 volume 0.27903E-02 ppm1 3.648 ppm2 3.182 CV 1
ASSI { 841}
(( segid "PAH3" and resid 523 and name HA ))
(( segid "PAH3" and resid 523 and name HB2 ))
3.500 1.500 1.500 peak 841 spectrum 1 weight 0.10000E+01 volume 0.10726E-02 ppm1 1.307 ppm2 3.697 CV 1
ASSI { 842}
( segid "PAH3" and resid 512 and name HD% )
(( segid "PAH3" and resid 509 and name HA ))
2.600 0.900 0.900 peak 842 spectrum 1 weight 0.10000E+01 volume 0.29571E-02 ppm1 4.478 ppm2 -0.792 CV 1
ASSI { 843}
( segid "PAH3" and resid 471 and name HG2%)
(( segid "PAH3" and resid 468 and name HA ))
2.800 1.000 1.000 peak 843 spectrum 1 weight 0.10000E+01 volume 0.24714E-02 ppm1 3.697 ppm2 -0.012 CV 1
ASSI { 845}
( segid "PAH3" and resid 512 and name HD% )
(( segid "PAH3" and resid 511 and name HE2 ))
3.600 1.700 1.700 peak 845 spectrum 1 weight 0.10000E+01 volume 0.84075E-03 ppm1 2.872 ppm2 -0.786 CV 1
OR { 845}
( segid "PAH3" and resid 512 and name HD% )
(( segid "PAH3" and resid 511 and name HE1 ))
ASSI { 846}
( segid "PAH3" and resid 461 and name HG1%)
(( segid "PAH3" and resid 460 and name HA2 ))
3.100 1.200 1.200 peak 846 spectrum 1 weight 0.10000E+01 volume 0.81175E-03 ppm1 4.014 ppm2 0.977 CV 1
OR { 846}
( segid "PAH3" and resid 461 and name HG2%)
(( segid "PAH3" and resid 460 and name HA1 ))
OR { 846}
( segid "PAH3" and resid 461 and name HG2%)
(( segid "PAH3" and resid 460 and name HA2 ))
ASSI { 848}
(( segid "PAH3" and resid 490 and name HG12))
( segid "PAH3" and resid 496 and name HG2%)
4.400 2.400 1.600 peak 848 spectrum 1 weight 0.10000E+01 volume 0.70229E-03 ppm1 0.812 ppm2 1.698 CV 1
ASSI { 849}
( segid "PAH3" and resid 490 and name HG2%)
( segid "PAH3" and resid 496 and name HG2%)
4.700 2.800 1.300 peak 849 spectrum 1 weight 0.10000E+01 volume 0.43921E-03 ppm1 0.809 ppm2 1.345 CV 1
ASSI { 851}
( segid "PAH3" and resid 516 and name HD% )
(( segid "PAH3" and resid 510 and name HA2 ))
3.300 3.300 2.700 peak 851 spectrum 1 weight 0.10000E+01 volume 0.57329E-03 ppm1 3.438 ppm2 -0.505 CV 1
ASSI { 854}
( segid "PAH3" and resid 471 and name HG2%)
( segid "PAH3" and resid 474 and name HB% )
3.800 1.800 1.800 peak 854 spectrum 1 weight 0.10000E+01 volume 0.12756E-02 ppm1 0.304 ppm2 -0.009 CV 1
ASSI { 856}
(( segid "PAH3" and resid 462 and name HA2 ))
(( segid "PAH3" and resid 462 and name HA1 ))
1.600 0.300 0.600 peak 856 spectrum 1 weight 0.10000E+01 volume 0.51241E-01 ppm1 4.286 ppm2 4.141 CV 1
ASSI { 858}
(( segid "PAH3" and resid 496 and name HA ))
( segid "PAH3" and resid 496 and name HD1%)
5.400 3.600 0.600 peak 858 spectrum 1 weight 0.10000E+01 volume 0.22250E-03 ppm1 0.981 ppm2 5.073 CV 1
ASSI { 859}
(( segid "PAH3" and resid 491 and name HA ))
( segid "PAH3" and resid 496 and name HD1%)
4.700 2.800 1.300 peak 859 spectrum 1 weight 0.10000E+01 volume 0.38340E-03 ppm1 0.975 ppm2 4.447 CV 1
ASSI { 861}
(( segid "PAH3" and resid 491 and name HB2 ))
( segid "PAH3" and resid 496 and name HD1%)
3.700 1.700 1.700 peak 861 spectrum 1 weight 0.10000E+01 volume 0.25512E-03 ppm1 0.973 ppm2 3.112 CV 1
ASSI { 862}
( segid "PAH3" and resid 496 and name HG2%)
( segid "PAH3" and resid 490 and name HD1%)
2.100 0.600 0.600 peak 862 spectrum 1 weight 0.10000E+01 volume 0.10292E-01 ppm1 1.077 ppm2 0.818 CV 1
OR { 862}
(( segid "PAH3" and resid 496 and name HG12))
( segid "PAH3" and resid 490 and name HD1%)
ASSI { 864}
( segid "PAH3" and resid 495 and name HG2%)
( segid "PAH3" and resid 490 and name HD1%)
4.200 2.200 1.800 peak 864 spectrum 1 weight 0.10000E+01 volume 0.72114E-03 ppm1 1.076 ppm2 0.270 CV 1
ASSI { 871}
( segid "PAH3" and resid 523 and name HD1%)
(( segid "PAH3" and resid 523 and name HB2 ))
3.000 1.200 1.200 peak 871 spectrum 1 weight 0.10000E+01 volume 0.13915E-02 ppm1 1.296 ppm2 0.497 CV 1
ASSI { 874}
(( segid "PAH3" and resid 509 and name HG ))
(( segid "PAH3" and resid 509 and name HB2 ))
3.100 1.200 1.200 peak 874 spectrum 1 weight 0.10000E+01 volume 0.86975E-03 ppm1 0.802 ppm2 1.389 CV 1
ASSI { 875}
(( segid "PAH3" and resid 509 and name HA ))
(( segid "PAH3" and resid 509 and name HB2 ))
3.500 1.500 1.500 peak 875 spectrum 1 weight 0.10000E+01 volume 0.98566E-03 ppm1 0.800 ppm2 4.476 CV 1
ASSI { 878}
( segid "PAH3" and resid 504 and name HD2%)
(( segid "PAH3" and resid 504 and name HB1 ))
2.600 0.900 0.900 peak 878 spectrum 1 weight 0.10000E+01 volume 0.27541E-02 ppm1 2.001 ppm2 0.738 CV 1
ASSI { 879}
( segid "PAH3" and resid 504 and name HD1%)
(( segid "PAH3" and resid 504 and name HB1 ))
2.900 1.100 1.100 peak 879 spectrum 1 weight 0.10000E+01 volume 0.22178E-02 ppm1 1.993 ppm2 0.828 CV 1
ASSI { 880}
(( segid "PAH3" and resid 504 and name HA ))
(( segid "PAH3" and resid 504 and name HB1 ))
3.100 1.200 1.200 peak 880 spectrum 1 weight 0.10000E+01 volume 0.11016E-02 ppm1 1.987 ppm2 4.252 CV 1
ASSI { 882}
( segid "PAH3" and resid 466 and name HD2%)
(( segid "PAH3" and resid 470 and name HE1 ))
3.200 1.300 1.300 peak 882 spectrum 1 weight 0.10000E+01 volume 0.17539E-02 ppm1 2.793 ppm2 0.880 CV 1
OR { 882}
( segid "PAH3" and resid 466 and name HD2%)
(( segid "PAH3" and resid 470 and name HE2 ))
ASSI { 883}
( segid "PAH3" and resid 466 and name HD1%)
(( segid "PAH3" and resid 470 and name HE1 ))
3.000 1.200 1.200 peak 883 spectrum 1 weight 0.10000E+01 volume 0.21308E-02 ppm1 2.790 ppm2 0.940 CV 1
OR { 883}
( segid "PAH3" and resid 466 and name HD1%)
(( segid "PAH3" and resid 470 and name HE2 ))
ASSI { 884}
(( segid "PAH3" and resid 470 and name HG2 ))
(( segid "PAH3" and resid 470 and name HE2 ))
2.600 0.800 0.800 peak 884 spectrum 1 weight 0.10000E+01 volume 0.47907E-02 ppm1 2.789 ppm2 1.272 CV 1
OR { 884}
(( segid "PAH3" and resid 470 and name HG2 ))
(( segid "PAH3" and resid 470 and name HE1 ))
ASSI { 885}
(( segid "PAH3" and resid 470 and name HD2 ))
(( segid "PAH3" and resid 470 and name HE1 ))
2.300 0.600 0.600 peak 885 spectrum 1 weight 0.10000E+01 volume 0.76826E-02 ppm1 2.791 ppm2 1.418 CV 1
OR { 885}
(( segid "PAH3" and resid 470 and name HD2 ))
(( segid "PAH3" and resid 470 and name HE2 ))
ASSI { 886}
(( segid "PAH3" and resid 470 and name HD1 ))
(( segid "PAH3" and resid 470 and name HE2 ))
2.100 0.600 0.600 peak 886 spectrum 1 weight 0.10000E+01 volume 0.14133E-01 ppm1 2.791 ppm2 1.538 CV 1
OR { 886}
(( segid "PAH3" and resid 470 and name HG1 ))
(( segid "PAH3" and resid 470 and name HE2 ))
OR { 886}
(( segid "PAH3" and resid 470 and name HD1 ))
(( segid "PAH3" and resid 470 and name HE1 ))
OR { 886}
(( segid "PAH3" and resid 470 and name HG1 ))
(( segid "PAH3" and resid 470 and name HE1 ))
ASSI { 888}
(( segid "PAH3" and resid 473 and name HG1 ))
(( segid "PAH3" and resid 473 and name HE2 ))
2.500 0.800 0.800 peak 888 spectrum 1 weight 0.10000E+01 volume 0.59214E-02 ppm1 2.862 ppm2 1.405 CV 1
OR { 888}
(( segid "PAH3" and resid 473 and name HG1 ))
(( segid "PAH3" and resid 473 and name HE1 ))
ASSI { 894}
( segid "PAH3" and resid 515 and name HD2%)
(( segid "PAH3" and resid 515 and name HB2 ))
2.800 1.000 1.000 peak 894 spectrum 1 weight 0.10000E+01 volume 0.28773E-02 ppm1 1.509 ppm2 0.452 CV 1
ASSI { 902}
(( segid "PAH3" and resid 504 and name HB1 ))
(( segid "PAH3" and resid 504 and name HB2 ))
1.900 0.500 0.500 peak 902 spectrum 1 weight 0.10000E+01 volume 0.11306E-01 ppm1 1.714 ppm2 2.000 CV 1
ASSI { 904}
( segid "PAH3" and resid 501 and name HD1%)
(( segid "PAH3" and resid 504 and name HB1 ))
3.700 1.700 1.700 peak 904 spectrum 1 weight 0.10000E+01 volume 0.11161E-02 ppm1 1.992 ppm2 0.913 CV 1
ASSI { 905}
(( segid "PAH3" and resid 470 and name HA ))
(( segid "PAH3" and resid 470 and name HE2 ))
4.700 2.700 1.300 peak 905 spectrum 1 weight 0.10000E+01 volume 0.43196E-03 ppm1 2.791 ppm2 3.690 CV 1
OR { 905}
(( segid "PAH3" and resid 470 and name HA ))
(( segid "PAH3" and resid 470 and name HE1 ))
ASSI { 906}
(( segid "PAH3" and resid 467 and name HA ))
(( segid "PAH3" and resid 470 and name HE1 ))
4.300 2.300 1.700 peak 906 spectrum 1 weight 0.10000E+01 volume 0.37398E-03 ppm1 2.790 ppm2 3.545 CV 1
OR { 906}
(( segid "PAH3" and resid 467 and name HA ))
(( segid "PAH3" and resid 470 and name HE2 ))
ASSI { 907}
( segid "PAH3" and resid 475 and name HD1%)
(( segid "PAH3" and resid 475 and name HB1 ))
3.200 1.300 1.300 peak 907 spectrum 1 weight 0.10000E+01 volume 0.29498E-02 ppm1 1.739 ppm2 0.989 CV 1
ASSI { 910}
(( segid "PAH3" and resid 485 and name HA ))
(( segid "PAH3" and resid 485 and name HB1 ))
4.000 2.000 2.000 peak 910 spectrum 1 weight 0.10000E+01 volume 0.16597E-03 ppm1 1.966 ppm2 3.458 CV 1
ASSI { 911}
(( segid "PAH3" and resid 485 and name HG ))
(( segid "PAH3" and resid 485 and name HB1 ))
4.100 2.100 1.900 peak 911 spectrum 1 weight 0.10000E+01 volume 0.35803E-03 ppm1 1.971 ppm2 1.216 CV 1
ASSI { 912}
(( segid "PAH3" and resid 463 and name HB ))
(( segid "PAH3" and resid 466 and name HB1 ))
4.100 2.100 1.900 peak 912 spectrum 1 weight 0.10000E+01 volume 0.29498E-03 ppm1 1.741 ppm2 4.440 CV 1
ASSI { 914}
( segid "PAH3" and resid 496 and name HG2%)
(( segid "PAH3" and resid 496 and name HB ))
2.500 0.800 0.800 peak 914 spectrum 1 weight 0.10000E+01 volume 0.38195E-02 ppm1 2.288 ppm2 0.812 CV 1
OR { 914}
(( segid "PAH3" and resid 496 and name HG12))
(( segid "PAH3" and resid 496 and name HB ))
ASSI { 918}
(( segid "PAH3" and resid 501 and name HB2 ))
(( segid "PAH3" and resid 501 and name HB1 ))
2.200 0.600 0.600 peak 918 spectrum 1 weight 0.10000E+01 volume 0.36238E-02 ppm1 2.254 ppm2 1.449 CV 1
ASSI { 919}
( segid "PAH3" and resid 501 and name HD2%)
(( segid "PAH3" and resid 501 and name HB2 ))
3.100 1.200 1.200 peak 919 spectrum 1 weight 0.10000E+01 volume 0.15583E-02 ppm1 1.441 ppm2 0.558 CV 1
ASSI { 920}
( segid "PAH3" and resid 496 and name HD1%)
(( segid "PAH3" and resid 501 and name HB2 ))
3.200 1.300 1.300 peak 920 spectrum 1 weight 0.10000E+01 volume 0.73201E-03 ppm1 1.443 ppm2 0.953 CV 1
ASSI { 921}
(( segid "PAH3" and resid 491 and name HB2 ))
(( segid "PAH3" and resid 491 and name HB1 ))
2.300 0.700 0.700 peak 921 spectrum 1 weight 0.10000E+01 volume 0.24642E-02 ppm1 3.528 ppm2 3.114 CV 1
ASSI { 924}
( segid "PAH3" and resid 488 and name HD2%)
(( segid "PAH3" and resid 488 and name HB2 ))
4.400 2.400 1.600 peak 924 spectrum 1 weight 0.10000E+01 volume 0.46167E-03 ppm1 1.031 ppm2 0.052 CV 1
ASSI { 925}
(( segid "PAH3" and resid 488 and name HB2 ))
(( segid "PAH3" and resid 488 and name HB1 ))
1.800 0.400 0.400 peak 925 spectrum 1 weight 0.10000E+01 volume 0.12176E-01 ppm1 1.826 ppm2 1.053 CV 1
ASSI { 927}
( segid "PAH3" and resid 466 and name HD1%)
(( segid "PAH3" and resid 463 and name HB ))
4.400 2.400 1.600 peak 927 spectrum 1 weight 0.10000E+01 volume 0.55951E-03 ppm1 4.441 ppm2 0.940 CV 1
ASSI { 929}
(( segid "PAH3" and resid 508 and name HB1 ))
(( segid "PAH3" and resid 508 and name HB2 ))
2.000 0.500 0.500 peak 929 spectrum 1 weight 0.10000E+01 volume 0.82625E-02 ppm1 2.966 ppm2 3.149 CV 1
ASSI { 935}
(( segid "PAH3" and resid 517 and name HA ))
(( segid "PAH3" and resid 520 and name HE1 ))
3.700 1.800 1.800 peak 935 spectrum 1 weight 0.10000E+01 volume 0.64866E-03 ppm1 1.766 ppm2 4.409 CV 1
ASSI { 937}
(( segid "PAH3" and resid 520 and name HD2 ))
(( segid "PAH3" and resid 520 and name HE1 ))
2.700 0.900 0.900 peak 937 spectrum 1 weight 0.10000E+01 volume 0.25077E-02 ppm1 1.754 ppm2 1.213 CV 1
ASSI { 938}
(( segid "PAH3" and resid 520 and name HD1 ))
(( segid "PAH3" and resid 520 and name HE1 ))
2.800 0.900 0.900 peak 938 spectrum 1 weight 0.10000E+01 volume 0.37398E-02 ppm1 1.754 ppm2 1.301 CV 1
ASSI { 939}
(( segid "PAH3" and resid 520 and name HD1 ))
(( segid "PAH3" and resid 520 and name HE2 ))
2.700 0.900 0.900 peak 939 spectrum 1 weight 0.10000E+01 volume 0.33557E-02 ppm1 1.663 ppm2 1.300 CV 1
ASSI { 941}
(( segid "PAH3" and resid 520 and name HG2 ))
(( segid "PAH3" and resid 520 and name HG1 ))
2.400 0.700 0.700 peak 941 spectrum 1 weight 0.10000E+01 volume 0.24569E-02 ppm1 1.395 ppm2 0.946 CV 1
ASSI { 942}
(( segid "PAH3" and resid 520 and name HD2 ))
(( segid "PAH3" and resid 520 and name HD1 ))
1.600 0.300 0.600 peak 942 spectrum 1 weight 0.10000E+01 volume 0.30802E-01 ppm1 1.294 ppm2 1.198 CV 1
ASSI { 944}
(( segid "PAH3" and resid 520 and name HG2 ))
(( segid "PAH3" and resid 520 and name HD1 ))
3.000 1.100 1.100 peak 944 spectrum 1 weight 0.10000E+01 volume 0.15148E-02 ppm1 1.294 ppm2 0.955 CV 1
ASSI { 949}
(( segid "PAH3" and resid 520 and name HG2 ))
(( segid "PAH3" and resid 520 and name HD2 ))
3.300 1.300 1.300 peak 949 spectrum 1 weight 0.10000E+01 volume 0.10726E-02 ppm1 1.206 ppm2 0.950 CV 1
ASSI { 951}
(( segid "PAH3" and resid 520 and name HG2 ))
(( segid "PAH3" and resid 520 and name HE1 ))
3.600 1.600 1.600 peak 951 spectrum 1 weight 0.10000E+01 volume 0.80451E-03 ppm1 1.756 ppm2 0.952 CV 1
ASSI { 952}
(( segid "PAH3" and resid 520 and name HD2 ))
(( segid "PAH3" and resid 520 and name HE2 ))
3.100 1.200 1.200 peak 952 spectrum 1 weight 0.10000E+01 volume 0.18627E-02 ppm1 1.664 ppm2 1.217 CV 1
ASSI { 953}
(( segid "PAH3" and resid 520 and name HG1 ))
(( segid "PAH3" and resid 520 and name HE1 ))
3.400 1.400 1.400 peak 953 spectrum 1 weight 0.10000E+01 volume 0.11524E-02 ppm1 1.760 ppm2 1.401 CV 1
ASSI { 955}
(( segid "PAH3" and resid 520 and name HE1 ))
(( segid "PAH3" and resid 520 and name HE2 ))
1.600 0.300 0.600 peak 955 spectrum 1 weight 0.10000E+01 volume 0.37253E-01 ppm1 1.663 ppm2 1.762 CV 1
ASSI { 957}
(( segid "PAH3" and resid 481 and name HB1 ))
(( segid "PAH3" and resid 481 and name HB2 ))
2.000 0.500 0.500 peak 957 spectrum 1 weight 0.10000E+01 volume 0.10002E-01 ppm1 2.996 ppm2 3.170 CV 1
ASSI { 960}
(( segid "PAH3" and resid 478 and name HA ))
(( segid "PAH3" and resid 481 and name HB1 ))
3.400 1.400 1.400 peak 960 spectrum 1 weight 0.10000E+01 volume 0.78276E-03 ppm1 3.172 ppm2 4.212 CV 1
ASSI { 961}
( segid "PAH3" and resid 475 and name HD2%)
(( segid "PAH3" and resid 481 and name HB1 ))
4.600 2.700 1.400 peak 961 spectrum 1 weight 0.10000E+01 volume 0.48487E-03 ppm1 3.166 ppm2 0.684 CV 1
ASSI { 962}
( segid "PAH3" and resid 481 and name HD% )
(( segid "PAH3" and resid 481 and name HB2 ))
2.900 1.100 1.100 peak 962 spectrum 1 weight 0.10000E+01 volume 0.20656E-02 ppm1 3.001 ppm2 -1.065 CV 1
ASSI { 963}
( segid "PAH3" and resid 481 and name HD% )
(( segid "PAH3" and resid 481 and name HB1 ))
2.800 1.000 1.000 peak 963 spectrum 1 weight 0.10000E+01 volume 0.23410E-02 ppm1 3.173 ppm2 -1.073 CV 1
ASSI { 964}
(( segid "PAH3" and resid 502 and name HB ))
(( segid "PAH3" and resid 502 and name HA ))
3.500 1.500 1.500 peak 964 spectrum 1 weight 0.10000E+01 volume 0.81900E-03 ppm1 3.569 ppm2 1.912 CV 1
ASSI { 968}
(( segid "PAH3" and resid 498 and name HG2 ))
(( segid "PAH3" and resid 498 and name HG1 ))
2.000 0.500 0.500 peak 968 spectrum 1 weight 0.10000E+01 volume 0.83350E-02 ppm1 2.252 ppm2 1.734 CV 1
ASSI { 973}
(( segid "PAH3" and resid 498 and name HG1 ))
(( segid "PAH3" and resid 498 and name HD2 ))
2.600 0.800 0.800 peak 973 spectrum 1 weight 0.10000E+01 volume 0.39500E-02 ppm1 3.314 ppm2 2.256 CV 1
OR { 973}
(( segid "PAH3" and resid 498 and name HG1 ))
(( segid "PAH3" and resid 498 and name HD1 ))
ASSI { 974}
(( segid "PAH3" and resid 498 and name HB1 ))
(( segid "PAH3" and resid 498 and name HD2 ))
2.900 1.000 1.000 peak 974 spectrum 1 weight 0.10000E+01 volume 0.28483E-02 ppm1 3.313 ppm2 2.124 CV 1
OR { 974}
(( segid "PAH3" and resid 498 and name HB1 ))
(( segid "PAH3" and resid 498 and name HD1 ))
ASSI { 975}
(( segid "PAH3" and resid 523 and name HB2 ))
(( segid "PAH3" and resid 498 and name HD1 ))
3.700 1.700 1.700 peak 975 spectrum 1 weight 0.10000E+01 volume 0.98566E-03 ppm1 3.310 ppm2 1.322 CV 1
OR { 975}
(( segid "PAH3" and resid 523 and name HB2 ))
(( segid "PAH3" and resid 498 and name HD2 ))
OR { 975}
(( segid "PAH3" and resid 523 and name HG ))
(( segid "PAH3" and resid 498 and name HD2 ))
ASSI { 976}
(( segid "PAH3" and resid 498 and name HG2 ))
(( segid "PAH3" and resid 498 and name HD1 ))
2.500 0.800 0.800 peak 976 spectrum 1 weight 0.10000E+01 volume 0.45805E-02 ppm1 3.316 ppm2 1.731 CV 1
OR { 976}
(( segid "PAH3" and resid 498 and name HG2 ))
(( segid "PAH3" and resid 498 and name HD2 ))
ASSI { 977}
(( segid "PAH3" and resid 500 and name HG1 ))
(( segid "PAH3" and resid 500 and name HG2 ))
2.200 0.600 0.600 peak 977 spectrum 1 weight 0.10000E+01 volume 0.52038E-02 ppm1 2.295 ppm2 2.459 CV 1
ASSI { 978}
(( segid "PAH3" and resid 500 and name HB1 ))
(( segid "PAH3" and resid 500 and name HG2 ))
3.100 1.200 1.200 peak 978 spectrum 1 weight 0.10000E+01 volume 0.20801E-02 ppm1 2.297 ppm2 2.567 CV 1
ASSI { 980}
(( segid "PAH3" and resid 500 and name HB2 ))
(( segid "PAH3" and resid 500 and name HG1 ))
3.500 1.500 1.500 peak 980 spectrum 1 weight 0.10000E+01 volume 0.62112E-03 ppm1 2.465 ppm2 1.749 CV 1
ASSI { 982}
(( segid "PAH3" and resid 473 and name HB1 ))
(( segid "PAH3" and resid 470 and name HA ))
2.700 0.900 0.900 peak 982 spectrum 1 weight 0.10000E+01 volume 0.23265E-02 ppm1 3.697 ppm2 1.681 CV 1
ASSI { 983}
(( segid "PAH3" and resid 470 and name HB2 ))
(( segid "PAH3" and resid 470 and name HB1 ))
1.800 0.400 0.400 peak 983 spectrum 1 weight 0.10000E+01 volume 0.16669E-01 ppm1 1.784 ppm2 1.523 CV 1
OR { 983}
(( segid "PAH3" and resid 470 and name HG1 ))
(( segid "PAH3" and resid 470 and name HB1 ))
ASSI { 984}
(( segid "PAH3" and resid 470 and name HB1 ))
(( segid "PAH3" and resid 470 and name HB2 ))
2.000 0.500 0.500 peak 984 spectrum 1 weight 0.10000E+01 volume 0.73201E-02 ppm1 1.521 ppm2 1.789 CV 1
ASSI { 985}
(( segid "PAH3" and resid 470 and name HA ))
(( segid "PAH3" and resid 470 and name HB2 ))
3.400 1.400 1.400 peak 985 spectrum 1 weight 0.10000E+01 volume 0.11741E-02 ppm1 1.519 ppm2 3.696 CV 1
ASSI { 986}
( segid "PAH3" and resid 515 and name HD1%)
(( segid "PAH3" and resid 470 and name HB2 ))
3.200 1.300 1.300 peak 986 spectrum 1 weight 0.10000E+01 volume 0.89867E-03 ppm1 1.525 ppm2 0.717 CV 1
ASSI { 987}
( segid "PAH3" and resid 515 and name HD1%)
(( segid "PAH3" and resid 470 and name HB1 ))
3.400 1.500 1.500 peak 987 spectrum 1 weight 0.10000E+01 volume 0.81900E-03 ppm1 1.776 ppm2 0.710 CV 1
ASSI { 988}
(( segid "PAH3" and resid 470 and name HG2 ))
(( segid "PAH3" and resid 470 and name HG1 ))
1.900 0.400 0.400 peak 988 spectrum 1 weight 0.10000E+01 volume 0.12249E-01 ppm1 1.548 ppm2 1.277 CV 1
ASSI { 989}
( segid "PAH3" and resid 515 and name HD1%)
(( segid "PAH3" and resid 470 and name HG2 ))
4.000 2.000 2.000 peak 989 spectrum 1 weight 0.10000E+01 volume 0.83350E-03 ppm1 1.274 ppm2 0.718 CV 1
ASSI { 990}
(( segid "PAH3" and resid 470 and name HB1 ))
(( segid "PAH3" and resid 470 and name HG2 ))
2.600 0.800 0.800 peak 990 spectrum 1 weight 0.10000E+01 volume 0.28266E-02 ppm1 1.279 ppm2 1.781 CV 1
ASSI { 991}
(( segid "PAH3" and resid 470 and name HB1 ))
(( segid "PAH3" and resid 470 and name HG1 ))
3.000 1.200 1.200 peak 991 spectrum 1 weight 0.10000E+01 volume 0.31165E-02 ppm1 1.551 ppm2 1.788 CV 1
ASSI { 993}
(( segid "PAH3" and resid 470 and name HE2 ))
(( segid "PAH3" and resid 470 and name HG1 ))
3.300 1.300 1.300 peak 993 spectrum 1 weight 0.10000E+01 volume 0.10292E-02 ppm1 1.548 ppm2 2.785 CV 1
OR { 993}
(( segid "PAH3" and resid 470 and name HE1 ))
(( segid "PAH3" and resid 470 and name HG1 ))
ASSI { 995}
(( segid "PAH3" and resid 470 and name HB1 ))
(( segid "PAH3" and resid 470 and name HD2 ))
3.100 1.200 1.200 peak 995 spectrum 1 weight 0.10000E+01 volume 0.24062E-02 ppm1 1.420 ppm2 1.768 CV 1
ASSI { 997}
(( segid "PAH3" and resid 470 and name HG2 ))
(( segid "PAH3" and resid 470 and name HD2 ))
2.600 0.800 0.800 peak 997 spectrum 1 weight 0.10000E+01 volume 0.76826E-02 ppm1 1.415 ppm2 1.277 CV 1
ASSI { 998}
( segid "PAH3" and resid 515 and name HD1%)
(( segid "PAH3" and resid 470 and name HD1 ))
3.300 1.300 1.300 peak 998 spectrum 1 weight 0.10000E+01 volume 0.11089E-02 ppm1 1.518 ppm2 0.713 CV 1
ASSI { 999}
( segid "PAH3" and resid 515 and name HD1%)
(( segid "PAH3" and resid 470 and name HD2 ))
3.000 1.100 1.100 peak 999 spectrum 1 weight 0.10000E+01 volume 0.15220E-02 ppm1 1.421 ppm2 0.716 CV 1
ASSI { 1000}
(( segid "PAH3" and resid 470 and name HE2 ))
(( segid "PAH3" and resid 470 and name HD1 ))
2.600 0.800 0.800 peak 1000 spectrum 1 weight 0.10000E+01 volume 0.47327E-02 ppm1 1.515 ppm2 2.794 CV 1
OR { 1000}
(( segid "PAH3" and resid 470 and name HE1 ))
(( segid "PAH3" and resid 470 and name HD1 ))
ASSI { 1002}
(( segid "PAH3" and resid 466 and name HG ))
(( segid "PAH3" and resid 470 and name HE1 ))
2.500 0.800 0.800 peak 1002 spectrum 1 weight 0.10000E+01 volume 0.45587E-02 ppm1 2.791 ppm2 1.621 CV 1
OR { 1002}
(( segid "PAH3" and resid 466 and name HG ))
(( segid "PAH3" and resid 470 and name HE2 ))
ASSI { 1003}
( segid "PAH3" and resid 515 and name HD2%)
(( segid "PAH3" and resid 470 and name HE1 ))
4.100 2.100 1.900 peak 1003 spectrum 1 weight 0.10000E+01 volume 0.15945E-03 ppm1 2.791 ppm2 0.448 CV 1
OR { 1003}
( segid "PAH3" and resid 515 and name HD2%)
(( segid "PAH3" and resid 470 and name HE2 ))
ASSI { 1004}
(( segid "PAH3" and resid 489 and name HA ))
(( segid "PAH3" and resid 492 and name HB1 ))
3.300 1.400 1.400 peak 1004 spectrum 1 weight 0.10000E+01 volume 0.13118E-02 ppm1 3.414 ppm2 3.773 CV 1
ASSI { 1009}
( segid "PAH3" and resid 490 and name HG2%)
(( segid "PAH3" and resid 490 and name HB ))
2.600 0.900 0.900 peak 1009 spectrum 1 weight 0.10000E+01 volume 0.24062E-02 ppm1 2.046 ppm2 1.345 CV 1
ASSI { 1010}
( segid "PAH3" and resid 489 and name HG2%)
(( segid "PAH3" and resid 489 and name HA ))
2.800 1.000 1.000 peak 1010 spectrum 1 weight 0.10000E+01 volume 0.53053E-02 ppm1 3.772 ppm2 1.016 CV 1
ASSI { 1011}
( segid "PAH3" and resid 489 and name HG1%)
(( segid "PAH3" and resid 489 and name HA ))
2.400 0.700 0.700 peak 1011 spectrum 1 weight 0.10000E+01 volume 0.73926E-02 ppm1 3.774 ppm2 1.104 CV 1
ASSI { 1015}
(( segid "PAH3" and resid 464 and name HB2 ))
(( segid "PAH3" and resid 464 and name HG1 ))
3.000 1.100 1.100 peak 1015 spectrum 1 weight 0.10000E+01 volume 0.26237E-02 ppm1 2.644 ppm2 2.061 CV 1
ASSI { 1016}
(( segid "PAH3" and resid 494 and name HB2 ))
(( segid "PAH3" and resid 494 and name HG1 ))
2.200 0.600 0.600 peak 1016 spectrum 1 weight 0.10000E+01 volume 0.13553E-01 ppm1 1.991 ppm2 2.109 CV 1
OR { 1016}
(( segid "PAH3" and resid 494 and name HB1 ))
(( segid "PAH3" and resid 494 and name HG1 ))
ASSI { 1017}
(( segid "PAH3" and resid 494 and name HB1 ))
(( segid "PAH3" and resid 494 and name HG2 ))
2.200 0.600 0.600 peak 1017 spectrum 1 weight 0.10000E+01 volume 0.15873E-01 ppm1 1.932 ppm2 2.106 CV 1
OR { 1017}
(( segid "PAH3" and resid 494 and name HB2 ))
(( segid "PAH3" and resid 494 and name HG2 ))
ASSI { 1019}
(( segid "PAH3" and resid 514 and name HG1 ))
(( segid "PAH3" and resid 514 and name HG2 ))
1.400 0.300 0.800 peak 1019 spectrum 1 weight 0.10000E+01 volume 0.84800E-01 ppm1 2.380 ppm2 2.483 CV 1
ASSI { 1022}
( segid "PAH3" and resid 515 and name HD1%)
(( segid "PAH3" and resid 514 and name HG1 ))
3.300 3.300 2.700 peak 1022 spectrum 1 weight 0.10000E+01 volume 0.56604E-03 ppm1 2.474 ppm2 0.714 CV 1
ASSI { 1023}
( segid "PAH3" and resid 515 and name HD1%)
(( segid "PAH3" and resid 514 and name HG2 ))
3.400 1.500 1.500 peak 1023 spectrum 1 weight 0.10000E+01 volume 0.46095E-03 ppm1 2.390 ppm2 0.709 CV 1
ASSI { 1024}
(( segid "PAH3" and resid 493 and name HB1 ))
(( segid "PAH3" and resid 490 and name HA ))
5.500 3.800 0.500 peak 1024 spectrum 1 weight 0.10000E+01 volume 0.26309E-03 ppm1 4.098 ppm2 2.230 CV 1
ASSI { 1027}
(( segid "PAH3" and resid 495 and name HB ))
(( segid "PAH3" and resid 495 and name HA ))
2.900 1.100 1.100 peak 1027 spectrum 1 weight 0.10000E+01 volume 0.19351E-02 ppm1 3.493 ppm2 1.941 CV 1
ASSI { 1028}
(( segid "PAH3" and resid 493 and name HB1 ))
(( segid "PAH3" and resid 493 and name HG2 ))
2.000 0.500 0.500 peak 1028 spectrum 1 weight 0.10000E+01 volume 0.14278E-01 ppm1 2.493 ppm2 2.246 CV 1
ASSI { 1031}
(( segid "PAH3" and resid 527 and name HA ))
(( segid "PAH3" and resid 526 and name HB2 ))
4.600 2.600 1.400 peak 1031 spectrum 1 weight 0.10000E+01 volume 0.21453E-03 ppm1 1.542 ppm2 4.117 CV 1
ASSI { 1032}
(( segid "PAH3" and resid 526 and name HB2 ))
(( segid "PAH3" and resid 526 and name HB1 ))
1.500 0.300 0.700 peak 1032 spectrum 1 weight 0.10000E+01 volume 0.61823E-01 ppm1 1.682 ppm2 1.535 CV 1
ASSI { 1034}
(( segid "PAH3" and resid 490 and name HG11))
(( segid "PAH3" and resid 487 and name HA ))
3.400 1.400 1.400 peak 1034 spectrum 1 weight 0.10000E+01 volume 0.17974E-02 ppm1 4.097 ppm2 2.053 CV 1
ASSI { 1036}
( segid "PAH3" and resid 505 and name HG1%)
(( segid "PAH3" and resid 506 and name HA ))
3.400 1.500 1.500 peak 1036 spectrum 1 weight 0.10000E+01 volume 0.94941E-03 ppm1 3.843 ppm2 1.105 CV 1
ASSI { 1037}
(( segid "PAH3" and resid 506 and name HB2 ))
(( segid "PAH3" and resid 506 and name HA ))
2.300 0.600 0.600 peak 1037 spectrum 1 weight 0.10000E+01 volume 0.89867E-02 ppm1 3.835 ppm2 4.255 CV 1
OR { 1037}
(( segid "PAH3" and resid 506 and name HB1 ))
(( segid "PAH3" and resid 506 and name HA ))
ASSI { 1038}
(( segid "PAH3" and resid 457 and name HA ))
(( segid "PAH3" and resid 457 and name HB1 ))
2.500 0.800 0.800 peak 1038 spectrum 1 weight 0.10000E+01 volume 0.60445E-02 ppm1 3.846 ppm2 4.392 CV 1
OR { 1038}
(( segid "PAH3" and resid 457 and name HA ))
(( segid "PAH3" and resid 457 and name HB2 ))
ASSI { 1039}
(( segid "PAH3" and resid 466 and name HB1 ))
(( segid "PAH3" and resid 463 and name HA ))
3.500 1.500 1.500 peak 1039 spectrum 1 weight 0.10000E+01 volume 0.67475E-03 ppm1 4.309 ppm2 1.752 CV 1
ASSI { 1040}
(( segid "PAH3" and resid 463 and name HB ))
(( segid "PAH3" and resid 463 and name HA ))
2.200 0.600 0.600 peak 1040 spectrum 1 weight 0.10000E+01 volume 0.12249E-01 ppm1 4.308 ppm2 4.443 CV 1
ASSI { 1041}
(( segid "PAH3" and resid 468 and name HB2 ))
(( segid "PAH3" and resid 468 and name HA ))
3.300 1.400 1.400 peak 1041 spectrum 1 weight 0.10000E+01 volume 0.16452E-02 ppm1 3.700 ppm2 2.969 CV 1
ASSI { 1044}
(( segid "PAH3" and resid 470 and name HA ))
(( segid "PAH3" and resid 473 and name HB2 ))
3.200 1.300 1.300 peak 1044 spectrum 1 weight 0.10000E+01 volume 0.28991E-02 ppm1 1.605 ppm2 3.695 CV 1
ASSI { 1045}
(( segid "PAH3" and resid 458 and name HB2 ))
(( segid "PAH3" and resid 458 and name HB1 ))
1.300 0.200 0.900 peak 1045 spectrum 1 weight 0.10000E+01 volume 0.11669E+00 ppm1 1.766 ppm2 1.691 CV 1
ASSI { 1048}
(( segid "PAH3" and resid 473 and name HG1 ))
(( segid "PAH3" and resid 473 and name HB2 ))
2.400 0.700 0.700 peak 1048 spectrum 1 weight 0.10000E+01 volume 0.57981E-02 ppm1 1.604 ppm2 1.409 CV 1
ASSI { 1051}
(( segid "PAH3" and resid 520 and name HG1 ))
(( segid "PAH3" and resid 520 and name HB1 ))
3.400 1.500 1.500 peak 1051 spectrum 1 weight 0.10000E+01 volume 0.14930E-02 ppm1 1.933 ppm2 1.353 CV 1
ASSI { 1054}
(( segid "PAH3" and resid 491 and name HB2 ))
(( segid "PAH3" and resid 491 and name HA ))
2.900 1.000 1.000 peak 1054 spectrum 1 weight 0.10000E+01 volume 0.13190E-02 ppm1 4.441 ppm2 3.110 CV 1
ASSI { 1055}
(( segid "PAH3" and resid 491 and name HB1 ))
(( segid "PAH3" and resid 491 and name HA ))
3.600 1.700 1.700 peak 1055 spectrum 1 weight 0.10000E+01 volume 0.79001E-03 ppm1 4.452 ppm2 3.535 CV 1
ASSI { 1056}
(( segid "PAH3" and resid 496 and name HG11))
(( segid "PAH3" and resid 491 and name HA ))
3.100 1.200 1.200 peak 1056 spectrum 1 weight 0.10000E+01 volume 0.11741E-02 ppm1 4.456 ppm2 1.782 CV 1
ASSI { 1057}
(( segid "PAH3" and resid 496 and name HG12))
(( segid "PAH3" and resid 491 and name HA ))
2.700 0.900 0.900 peak 1057 spectrum 1 weight 0.10000E+01 volume 0.15438E-02 ppm1 4.449 ppm2 0.813 CV 1
ASSI { 1059}
( segid "PAH3" and resid 491 and name HD% )
(( segid "PAH3" and resid 491 and name HA ))
4.000 2.000 2.000 peak 1059 spectrum 1 weight 0.10000E+01 volume 0.32759E-03 ppm1 4.450 ppm2 -0.554 CV 1
ASSI { 1060}
(( segid "PAH3" and resid 513 and name HD1 ))
(( segid "PAH3" and resid 513 and name HB2 ))
4.700 2.700 1.300 peak 1060 spectrum 1 weight 0.10000E+01 volume 0.39065E-03 ppm1 2.089 ppm2 3.886 CV 1
ASSI { 1061}
(( segid "PAH3" and resid 513 and name HD2 ))
(( segid "PAH3" and resid 513 and name HB2 ))
4.700 2.800 1.300 peak 1061 spectrum 1 weight 0.10000E+01 volume 0.30078E-03 ppm1 2.085 ppm2 3.580 CV 1
ASSI { 1062}
(( segid "PAH3" and resid 507 and name HD2 ))
(( segid "PAH3" and resid 505 and name HA ))
3.400 1.500 1.500 peak 1062 spectrum 1 weight 0.10000E+01 volume 0.61460E-03 ppm1 4.891 ppm2 3.681 CV 1
ASSI { 1063}
(( segid "PAH3" and resid 511 and name HB1 ))
(( segid "PAH3" and resid 511 and name HB2 ))
1.600 0.300 0.600 peak 1063 spectrum 1 weight 0.10000E+01 volume 0.33122E-01 ppm1 1.116 ppm2 1.234 CV 1
ASSI { 1065}
(( segid "PAH3" and resid 507 and name HD1 ))
(( segid "PAH3" and resid 507 and name HB2 ))
4.400 2.500 1.600 peak 1065 spectrum 1 weight 0.10000E+01 volume 0.41456E-03 ppm1 1.069 ppm2 3.822 CV 1
ASSI { 1066}
(( segid "PAH3" and resid 507 and name HD1 ))
(( segid "PAH3" and resid 507 and name HB1 ))
4.200 2.200 1.800 peak 1066 spectrum 1 weight 0.10000E+01 volume 0.52908E-03 ppm1 2.216 ppm2 3.824 CV 1
ASSI { 1067}
( segid "PAH3" and resid 481 and name HE% )
(( segid "PAH3" and resid 471 and name HB ))
3.700 1.700 1.700 peak 1067 spectrum 1 weight 0.10000E+01 volume 0.39645E-03 ppm1 1.784 ppm2 -1.284 CV 1
ASSI { 1068}
(( segid "PAH3" and resid 486 and name HA ))
(( segid "PAH3" and resid 489 and name HB ))
4.300 2.300 1.700 peak 1068 spectrum 1 weight 0.10000E+01 volume 0.13263E-02 ppm1 2.437 ppm2 3.505 CV 1
ASSI { 1069}
(( segid "PAH3" and resid 467 and name HB1 ))
(( segid "PAH3" and resid 467 and name HA ))
3.300 1.400 1.400 peak 1069 spectrum 1 weight 0.10000E+01 volume 0.17684E-02 ppm1 3.537 ppm2 2.144 CV 1
ASSI { 1070}
(( segid "PAH3" and resid 470 and name HD2 ))
(( segid "PAH3" and resid 467 and name HA ))
3.000 1.100 1.100 peak 1070 spectrum 1 weight 0.10000E+01 volume 0.12539E-02 ppm1 3.539 ppm2 1.419 CV 1
ASSI { 1071}
( segid "PAH3" and resid 481 and name HE% )
(( segid "PAH3" and resid 481 and name HA ))
4.800 2.900 1.200 peak 1071 spectrum 1 weight 0.10000E+01 volume 0.24134E-03 ppm1 4.127 ppm2 -1.282 CV 1
ASSI { 1072}
(( segid "PAH3" and resid 484 and name HB2 ))
(( segid "PAH3" and resid 481 and name HA ))
3.700 1.700 1.700 peak 1072 spectrum 1 weight 0.10000E+01 volume 0.87700E-03 ppm1 4.114 ppm2 2.239 CV 1
ASSI { 1073}
(( segid "PAH3" and resid 520 and name HG2 ))
(( segid "PAH3" and resid 520 and name HA ))
2.900 1.000 1.000 peak 1073 spectrum 1 weight 0.10000E+01 volume 0.17539E-02 ppm1 3.589 ppm2 0.946 CV 1
ASSI { 1074}
( segid "PAH3" and resid 502 and name HG1%)
(( segid "PAH3" and resid 520 and name HA ))
3.600 1.600 1.600 peak 1074 spectrum 1 weight 0.10000E+01 volume 0.94216E-03 ppm1 3.595 ppm2 0.725 CV 1
ASSI { 1076}
(( segid "PAH3" and resid 520 and name HG1 ))
(( segid "PAH3" and resid 520 and name HA ))
3.400 1.400 1.400 peak 1076 spectrum 1 weight 0.10000E+01 volume 0.13553E-02 ppm1 3.589 ppm2 1.378 CV 1
ASSI { 1078}
(( segid "PAH3" and resid 520 and name HB1 ))
(( segid "PAH3" and resid 520 and name HA ))
2.900 1.100 1.100 peak 1078 spectrum 1 weight 0.10000E+01 volume 0.16524E-02 ppm1 3.589 ppm2 1.917 CV 1
ASSI { 1079}
(( segid "PAH3" and resid 520 and name HB2 ))
(( segid "PAH3" and resid 520 and name HA ))
3.300 1.400 1.400 peak 1079 spectrum 1 weight 0.10000E+01 volume 0.15293E-02 ppm1 3.591 ppm2 1.845 CV 1
ASSI { 1081}
(( segid "PAH3" and resid 486 and name HB2 ))
(( segid "PAH3" and resid 486 and name HA ))
3.100 1.200 1.200 peak 1081 spectrum 1 weight 0.10000E+01 volume 0.12900E-02 ppm1 3.521 ppm2 0.955 CV 1
ASSI { 1083}
( segid "PAH3" and resid 489 and name HG2%)
(( segid "PAH3" and resid 486 and name HA ))
3.100 1.200 1.200 peak 1083 spectrum 1 weight 0.10000E+01 volume 0.93492E-03 ppm1 3.507 ppm2 1.008 CV 1
ASSI { 1086}
(( segid "PAH3" and resid 459 and name HB1 ))
(( segid "PAH3" and resid 459 and name HB2 ))
1.400 0.300 0.800 peak 1086 spectrum 1 weight 0.10000E+01 volume 0.82625E-01 ppm1 3.060 ppm2 3.182 CV 1
ASSI { 1089}
(( segid "PAH3" and resid 498 and name HD1 ))
(( segid "PAH3" and resid 498 and name HB2 ))
3.700 1.700 1.700 peak 1089 spectrum 1 weight 0.10000E+01 volume 0.66823E-03 ppm1 1.831 ppm2 3.310 CV 1
OR { 1089}
(( segid "PAH3" and resid 498 and name HD2 ))
(( segid "PAH3" and resid 498 and name HB2 ))
ASSI { 1090}
(( segid "PAH3" and resid 498 and name HB2 ))
(( segid "PAH3" and resid 498 and name HB1 ))
2.000 0.500 0.500 peak 1090 spectrum 1 weight 0.10000E+01 volume 0.76826E-02 ppm1 2.122 ppm2 1.822 CV 1
ASSI { 1091}
(( segid "PAH3" and resid 500 and name HB2 ))
(( segid "PAH3" and resid 500 and name HB1 ))
2.500 0.800 0.800 peak 1091 spectrum 1 weight 0.10000E+01 volume 0.20221E-02 ppm1 2.558 ppm2 1.751 CV 1
ASSI { 1092}
(( segid "PAH3" and resid 486 and name HB2 ))
(( segid "PAH3" and resid 486 and name HB1 ))
2.300 0.700 0.700 peak 1092 spectrum 1 weight 0.10000E+01 volume 0.28411E-02 ppm1 1.755 ppm2 0.941 CV 1
ASSI { 1096}
(( segid "PAH3" and resid 464 and name HB1 ))
(( segid "PAH3" and resid 464 and name HA ))
2.400 0.700 0.700 peak 1096 spectrum 1 weight 0.10000E+01 volume 0.43196E-02 ppm1 4.076 ppm2 2.304 CV 1
ASSI { 1097}
(( segid "PAH3" and resid 482 and name HB1 ))
(( segid "PAH3" and resid 482 and name HA ))
2.900 1.100 1.100 peak 1097 spectrum 1 weight 0.10000E+01 volume 0.34353E-02 ppm1 3.648 ppm2 2.178 CV 1
ASSI { 1099}
( segid "PAH3" and resid 475 and name HD2%)
(( segid "PAH3" and resid 472 and name HA ))
4.400 2.400 1.600 peak 1099 spectrum 1 weight 0.10000E+01 volume 0.23120E-03 ppm1 3.093 ppm2 0.676 CV 1
ASSI { 1100}
(( segid "PAH3" and resid 472 and name HD2 ))
(( segid "PAH3" and resid 472 and name HA ))
3.000 1.200 1.200 peak 1100 spectrum 1 weight 0.10000E+01 volume 0.27758E-02 ppm1 3.096 ppm2 2.889 CV 1
OR { 1100}
(( segid "PAH3" and resid 472 and name HD1 ))
(( segid "PAH3" and resid 472 and name HA ))
ASSI { 1102}
(( segid "PAH3" and resid 472 and name HG1 ))
(( segid "PAH3" and resid 472 and name HB1 ))
2.300 0.700 0.700 peak 1102 spectrum 1 weight 0.10000E+01 volume 0.89150E-02 ppm1 1.457 ppm2 0.842 CV 1
OR { 1102}
(( segid "PAH3" and resid 472 and name HG2 ))
(( segid "PAH3" and resid 472 and name HB1 ))
ASSI { 1103}
(( segid "PAH3" and resid 472 and name HG2 ))
(( segid "PAH3" and resid 472 and name HB2 ))
2.300 0.700 0.700 peak 1103 spectrum 1 weight 0.10000E+01 volume 0.76101E-02 ppm1 1.008 ppm2 0.844 CV 1
OR { 1103}
(( segid "PAH3" and resid 472 and name HG1 ))
(( segid "PAH3" and resid 472 and name HB2 ))
ASSI { 1111}
(( segid "PAH3" and resid 464 and name HB2 ))
(( segid "PAH3" and resid 464 and name HB1 ))
1.800 0.400 0.400 peak 1111 spectrum 1 weight 0.10000E+01 volume 0.12900E-01 ppm1 2.300 ppm2 2.063 CV 1
ASSI { 1113}
(( segid "PAH3" and resid 503 and name HG2 ))
(( segid "PAH3" and resid 503 and name HB1 ))
2.100 0.500 0.500 peak 1113 spectrum 1 weight 0.10000E+01 volume 0.19279E-01 ppm1 2.287 ppm2 2.461 CV 1
OR { 1113}
(( segid "PAH3" and resid 503 and name HG1 ))
(( segid "PAH3" and resid 503 and name HB1 ))
ASSI { 1115}
(( segid "PAH3" and resid 464 and name HG1 ))
(( segid "PAH3" and resid 464 and name HB1 ))
2.700 0.900 0.900 peak 1115 spectrum 1 weight 0.10000E+01 volume 0.29498E-02 ppm1 2.292 ppm2 2.630 CV 1
ASSI { 1118}
(( segid "PAH3" and resid 503 and name HA ))
(( segid "PAH3" and resid 503 and name HB2 ))
2.700 0.900 0.900 peak 1118 spectrum 1 weight 0.10000E+01 volume 0.45007E-02 ppm1 2.215 ppm2 4.132 CV 1
ASSI { 1119}
(( segid "PAH3" and resid 503 and name HA ))
(( segid "PAH3" and resid 503 and name HB1 ))
2.400 0.700 0.700 peak 1119 spectrum 1 weight 0.10000E+01 volume 0.55806E-02 ppm1 2.288 ppm2 4.129 CV 1
ASSI { 1125}
( segid "PAH3" and resid 495 and name HG2%)
(( segid "PAH3" and resid 493 and name HB2 ))
3.800 1.800 1.800 peak 1125 spectrum 1 weight 0.10000E+01 volume 0.27541E-03 ppm1 1.532 ppm2 0.281 CV 1
ASSI { 1126}
( segid "PAH3" and resid 501 and name HD1%)
(( segid "PAH3" and resid 488 and name HA ))
3.600 1.600 1.600 peak 1126 spectrum 1 weight 0.10000E+01 volume 0.69868E-03 ppm1 3.843 ppm2 0.890 CV 1
ASSI { 1127}
(( segid "PAH3" and resid 488 and name HG ))
(( segid "PAH3" and resid 488 and name HA ))
3.300 1.300 1.300 peak 1127 spectrum 1 weight 0.10000E+01 volume 0.14423E-02 ppm1 3.844 ppm2 1.106 CV 1
ASSI { 1128}
(( segid "PAH3" and resid 488 and name HB2 ))
(( segid "PAH3" and resid 488 and name HA ))
3.200 1.300 1.300 peak 1128 spectrum 1 weight 0.10000E+01 volume 0.15728E-02 ppm1 3.845 ppm2 1.022 CV 1
ASSI { 1129}
(( segid "PAH3" and resid 488 and name HG ))
(( segid "PAH3" and resid 485 and name HA ))
2.600 0.900 0.900 peak 1129 spectrum 1 weight 0.10000E+01 volume 0.25729E-02 ppm1 3.443 ppm2 1.091 CV 1
ASSI { 1131}
(( segid "PAH3" and resid 485 and name HG ))
(( segid "PAH3" and resid 485 and name HA ))
3.300 1.400 1.400 peak 1131 spectrum 1 weight 0.10000E+01 volume 0.11234E-02 ppm1 3.451 ppm2 1.195 CV 1
ASSI { 1133}
(( segid "PAH3" and resid 472 and name HA ))
(( segid "PAH3" and resid 472 and name HG2 ))
2.900 1.100 1.100 peak 1133 spectrum 1 weight 0.10000E+01 volume 0.17757E-02 ppm1 0.802 ppm2 3.093 CV 1
ASSI { 1134}
(( segid "PAH3" and resid 472 and name HA ))
(( segid "PAH3" and resid 472 and name HG1 ))
3.300 1.300 1.300 peak 1134 spectrum 1 weight 0.10000E+01 volume 0.14060E-02 ppm1 0.864 ppm2 3.094 CV 1
ASSI { 1135}
(( segid "PAH3" and resid 472 and name HB1 ))
(( segid "PAH3" and resid 472 and name HG1 ))
2.900 1.000 1.000 peak 1135 spectrum 1 weight 0.10000E+01 volume 0.30657E-02 ppm1 0.874 ppm2 1.452 CV 1
ASSI { 1136}
(( segid "PAH3" and resid 472 and name HB2 ))
(( segid "PAH3" and resid 472 and name HG1 ))
2.200 0.600 0.600 peak 1136 spectrum 1 weight 0.10000E+01 volume 0.73926E-02 ppm1 0.865 ppm2 0.992 CV 1
ASSI { 1137}
(( segid "PAH3" and resid 472 and name HB2 ))
(( segid "PAH3" and resid 472 and name HG2 ))
2.500 0.800 0.800 peak 1137 spectrum 1 weight 0.10000E+01 volume 0.60445E-02 ppm1 0.804 ppm2 0.996 CV 1
ASSI { 1143}
(( segid "PAH3" and resid 515 and name HB1 ))
(( segid "PAH3" and resid 515 and name HG ))
3.200 1.300 1.300 peak 1143 spectrum 1 weight 0.10000E+01 volume 0.64721E-03 ppm1 1.855 ppm2 2.315 CV 1
ASSI { 1144}
(( segid "PAH3" and resid 515 and name HA ))
(( segid "PAH3" and resid 515 and name HG ))
4.100 2.100 1.900 peak 1144 spectrum 1 weight 0.10000E+01 volume 0.29643E-03 ppm1 1.854 ppm2 4.669 CV 1
ASSI { 1146}
( segid "PAH3" and resid 502 and name HG1%)
(( segid "PAH3" and resid 520 and name HG1 ))
3.500 1.600 1.600 peak 1146 spectrum 1 weight 0.10000E+01 volume 0.10726E-02 ppm1 1.370 ppm2 0.721 CV 1
ASSI { 1147}
(( segid "PAH3" and resid 519 and name HB2 ))
(( segid "PAH3" and resid 520 and name HG1 ))
3.300 1.400 1.400 peak 1147 spectrum 1 weight 0.10000E+01 volume 0.11451E-02 ppm1 1.381 ppm2 3.644 CV 1
OR { 1147}
(( segid "PAH3" and resid 519 and name HB1 ))
(( segid "PAH3" and resid 520 and name HG1 ))
ASSI { 1150}
(( segid "PAH3" and resid 485 and name HB1 ))
( segid "PAH3" and resid 485 and name HD2%)
2.700 0.900 0.900 peak 1150 spectrum 1 weight 0.10000E+01 volume 0.23989E-02 ppm1 0.468 ppm2 1.964 CV 1
ASSI { 1153}
( segid "PAH3" and resid 488 and name HD1%)
( segid "PAH3" and resid 485 and name HD2%)
3.000 1.100 1.100 peak 1153 spectrum 1 weight 0.10000E+01 volume 0.13553E-02 ppm1 0.465 ppm2 0.216 CV 1
ASSI { 1154}
( segid "PAH3" and resid 501 and name HD1%)
(( segid "PAH3" and resid 487 and name HB1 ))
3.100 1.200 1.200 peak 1154 spectrum 1 weight 0.10000E+01 volume 0.10219E-02 ppm1 3.296 ppm2 0.893 CV 1
ASSI { 1156}
( segid "PAH3" and resid 501 and name HD1%)
(( segid "PAH3" and resid 487 and name HB2 ))
3.500 1.500 1.500 peak 1156 spectrum 1 weight 0.10000E+01 volume 0.10002E-02 ppm1 2.221 ppm2 0.886 CV 1
ASSI { 1158}
( segid "PAH3" and resid 504 and name HD2%)
(( segid "PAH3" and resid 504 and name HG ))
2.400 0.700 0.700 peak 1158 spectrum 1 weight 0.10000E+01 volume 0.55227E-02 ppm1 2.001 ppm2 0.740 CV 1
ASSI { 1159}
( segid "PAH3" and resid 504 and name HD1%)
(( segid "PAH3" and resid 504 and name HG ))
2.600 0.800 0.800 peak 1159 spectrum 1 weight 0.10000E+01 volume 0.33629E-02 ppm1 2.004 ppm2 0.820 CV 1
ASSI { 1161}
(( segid "PAH3" and resid 490 and name HG11))
(( segid "PAH3" and resid 490 and name HG12))
2.100 0.500 0.500 peak 1161 spectrum 1 weight 0.10000E+01 volume 0.45732E-02 ppm1 1.695 ppm2 2.055 CV 1
ASSI { 1163}
(( segid "PAH3" and resid 496 and name HG12))
(( segid "PAH3" and resid 490 and name HG12))
4.900 3.100 1.100 peak 1163 spectrum 1 weight 0.10000E+01 volume 0.33484E-03 ppm1 1.706 ppm2 0.799 CV 1
OR { 1163}
( segid "PAH3" and resid 496 and name HG2%)
(( segid "PAH3" and resid 490 and name HG12))
ASSI { 1166}
( segid "PAH3" and resid 485 and name HD2%)
(( segid "PAH3" and resid 485 and name HG ))
2.300 0.700 0.700 peak 1166 spectrum 1 weight 0.10000E+01 volume 0.56024E-02 ppm1 1.210 ppm2 0.463 CV 1
ASSI { 1167}
( segid "PAH3" and resid 471 and name HG1%)
(( segid "PAH3" and resid 485 and name HG ))
3.700 3.700 2.300 peak 1167 spectrum 1 weight 0.10000E+01 volume 0.11959E-02 ppm1 1.207 ppm2 0.189 CV 1
ASSI { 1168}
(( segid "PAH3" and resid 482 and name HA ))
(( segid "PAH3" and resid 485 and name HG ))
3.500 1.500 1.500 peak 1168 spectrum 1 weight 0.10000E+01 volume 0.85525E-03 ppm1 1.208 ppm2 3.656 CV 1
ASSI { 1169}
(( segid "PAH3" and resid 473 and name HG1 ))
(( segid "PAH3" and resid 473 and name HG2 ))
1.500 0.300 0.700 peak 1169 spectrum 1 weight 0.10000E+01 volume 0.50299E-01 ppm1 1.275 ppm2 1.412 CV 1
ASSI { 1170}
(( segid "PAH3" and resid 470 and name HA ))
(( segid "PAH3" and resid 470 and name HG1 ))
3.300 1.400 1.400 peak 1170 spectrum 1 weight 0.10000E+01 volume 0.13408E-02 ppm1 1.546 ppm2 3.698 CV 1
ASSI { 1171}
(( segid "PAH3" and resid 508 and name HB1 ))
( segid "PAH3" and resid 475 and name HD2%)
2.700 0.900 0.900 peak 1171 spectrum 1 weight 0.10000E+01 volume 0.24134E-02 ppm1 0.678 ppm2 3.149 CV 1
ASSI { 1173}
(( segid "PAH3" and resid 475 and name HB1 ))
( segid "PAH3" and resid 475 and name HD2%)
2.600 0.800 0.800 peak 1173 spectrum 1 weight 0.10000E+01 volume 0.41674E-02 ppm1 0.680 ppm2 1.744 CV 1
ASSI { 1174}
( segid "PAH3" and resid 490 and name HD1%)
( segid "PAH3" and resid 504 and name HD1%)
2.700 0.900 0.900 peak 1174 spectrum 1 weight 0.10000E+01 volume 0.34353E-02 ppm1 0.827 ppm2 1.085 CV 1
ASSI { 1175}
(( segid "PAH3" and resid 492 and name HB1 ))
(( segid "PAH3" and resid 492 and name HA ))
3.200 1.300 1.300 peak 1175 spectrum 1 weight 0.10000E+01 volume 0.13625E-02 ppm1 4.370 ppm2 3.417 CV 1
ASSI { 1176}
(( segid "PAH3" and resid 487 and name HB1 ))
( segid "PAH3" and resid 488 and name HD1%)
4.600 2.600 1.400 peak 1176 spectrum 1 weight 0.10000E+01 volume 0.50009E-03 ppm1 0.232 ppm2 3.305 CV 1
ASSI { 1179}
(( segid "PAH3" and resid 515 and name HA ))
( segid "PAH3" and resid 515 and name HD2%)
4.500 2.500 1.500 peak 1179 spectrum 1 weight 0.10000E+01 volume 0.48197E-03 ppm1 0.451 ppm2 4.662 CV 1
ASSI { 1180}
( segid "PAH3" and resid 471 and name HG1%)
( segid "PAH3" and resid 515 and name HD2%)
3.000 1.100 1.100 peak 1180 spectrum 1 weight 0.10000E+01 volume 0.43558E-02 ppm1 0.450 ppm2 0.217 CV 1
ASSI { 1181}
(( segid "PAH3" and resid 469 and name HB2 ))
( segid "PAH3" and resid 466 and name HD1%)
4.700 2.700 1.300 peak 1181 spectrum 1 weight 0.10000E+01 volume 0.38992E-03 ppm1 0.941 ppm2 2.604 CV 1
ASSI { 1183}
( segid "PAH3" and resid 523 and name HD2%)
(( segid "PAH3" and resid 523 and name HA ))
2.900 1.100 1.100 peak 1183 spectrum 1 weight 0.10000E+01 volume 0.41022E-02 ppm1 3.699 ppm2 0.357 CV 1
ASSI { 1184}
( segid "PAH3" and resid 523 and name HD1%)
( segid "PAH3" and resid 502 and name HG1%)
2.800 1.000 1.000 peak 1184 spectrum 1 weight 0.10000E+01 volume 0.47617E-02 ppm1 0.719 ppm2 0.492 CV 1
ASSI { 1186}
(( segid "PAH3" and resid 511 and name HG1 ))
(( segid "PAH3" and resid 511 and name HG2 ))
1.500 0.300 0.700 peak 1186 spectrum 1 weight 0.10000E+01 volume 0.51458E-01 ppm1 0.833 ppm2 0.967 CV 1
ASSI { 1189}
(( segid "PAH3" and resid 498 and name HD1 ))
( segid "PAH3" and resid 523 and name HD1%)
3.500 1.500 1.500 peak 1189 spectrum 1 weight 0.10000E+01 volume 0.14785E-02 ppm1 0.491 ppm2 3.318 CV 1
OR { 1189}
(( segid "PAH3" and resid 498 and name HD2 ))
( segid "PAH3" and resid 523 and name HD1%)
ASSI { 1190}
(( segid "PAH3" and resid 498 and name HB1 ))
( segid "PAH3" and resid 523 and name HD1%)
4.900 3.000 1.100 peak 1190 spectrum 1 weight 0.10000E+01 volume 0.17394E-03 ppm1 0.493 ppm2 2.122 CV 1
ASSI { 1193}
( segid "PAH3" and resid 519 and name HD% )
( segid "PAH3" and resid 523 and name HD1%)
3.500 1.500 1.500 peak 1193 spectrum 1 weight 0.10000E+01 volume 0.82625E-03 ppm1 0.498 ppm2 -0.738 CV 1
ASSI { 1194}
(( segid "PAH3" and resid 491 and name HB1 ))
( segid "PAH3" and resid 501 and name HD1%)
4.100 2.100 1.900 peak 1194 spectrum 1 weight 0.10000E+01 volume 0.43776E-03 ppm1 0.893 ppm2 3.525 CV 1
ASSI { 1196}
(( segid "PAH3" and resid 512 and name HB2 ))
(( segid "PAH3" and resid 512 and name HA ))
3.600 1.700 1.700 peak 1196 spectrum 1 weight 0.10000E+01 volume 0.86250E-03 ppm1 5.213 ppm2 3.080 CV 1
ASSI { 1197}
( segid "PAH3" and resid 519 and name HE% )
( segid "PAH3" and resid 501 and name HD1%)
4.000 2.000 2.000 peak 1197 spectrum 1 weight 0.10000E+01 volume 0.66316E-03 ppm1 0.886 ppm2 -0.990 CV 1
ASSI { 1202}
(( segid "PAH3" and resid 504 and name HB2 ))
( segid "PAH3" and resid 504 and name HD2%)
2.900 1.000 1.000 peak 1202 spectrum 1 weight 0.10000E+01 volume 0.59575E-02 ppm1 0.737 ppm2 1.707 CV 1
ASSI { 1205}
(( segid "PAH3" and resid 509 and name HB1 ))
( segid "PAH3" and resid 509 and name HD2%)
2.800 1.000 1.000 peak 1205 spectrum 1 weight 0.10000E+01 volume 0.18409E-02 ppm1 0.487 ppm2 1.174 CV 1
ASSI { 1214}
(( segid "PAH3" and resid 518 and name HE3 ))
( segid "PAH3" and resid 515 and name HD1%)
3.500 1.500 1.500 peak 1214 spectrum 1 weight 0.10000E+01 volume 0.41456E-03 ppm1 0.724 ppm2 6.165 CV 1
ASSI { 1218}
( segid "PAH3" and resid 474 and name HB% )
( segid "PAH3" and resid 515 and name HD1%)
3.700 1.700 1.700 peak 1218 spectrum 1 weight 0.10000E+01 volume 0.86975E-03 ppm1 0.717 ppm2 0.299 CV 1
ASSI { 1220}
(( segid "PAH3" and resid 460 and name HA2 ))
( segid "PAH3" and resid 461 and name HG1%)
3.800 1.800 1.800 peak 1220 spectrum 1 weight 0.10000E+01 volume 0.90592E-03 ppm1 0.973 ppm2 3.991 CV 1
OR { 1220}
(( segid "PAH3" and resid 460 and name HA1 ))
( segid "PAH3" and resid 461 and name HG1%)
ASSI { 1222}
(( segid "PAH3" and resid 523 and name HB2 ))
( segid "PAH3" and resid 502 and name HG2%)
3.600 1.600 1.600 peak 1222 spectrum 1 weight 0.10000E+01 volume 0.59358E-03 ppm1 0.616 ppm2 1.292 CV 1
ASSI { 1223}
(( segid "PAH3" and resid 520 and name HD2 ))
( segid "PAH3" and resid 502 and name HG2%)
4.500 2.600 1.500 peak 1223 spectrum 1 weight 0.10000E+01 volume 0.34498E-03 ppm1 0.615 ppm2 1.218 CV 1
ASSI { 1224}
( segid "PAH3" and resid 505 and name HG1%)
( segid "PAH3" and resid 502 and name HG2%)
4.400 2.400 1.600 peak 1224 spectrum 1 weight 0.10000E+01 volume 0.41819E-03 ppm1 0.614 ppm2 1.096 CV 1
ASSI { 1229}
(( segid "PAH3" and resid 506 and name HB1 ))
(( segid "PAH3" and resid 507 and name HD1 ))
2.300 0.700 0.700 peak 1229 spectrum 1 weight 0.10000E+01 volume 0.35006E-02 ppm1 3.830 ppm2 4.260 CV 1
OR { 1229}
(( segid "PAH3" and resid 506 and name HB2 ))
(( segid "PAH3" and resid 507 and name HD1 ))
ASSI { 1230}
(( segid "PAH3" and resid 507 and name HB2 ))
(( segid "PAH3" and resid 507 and name HD2 ))
3.800 1.800 1.800 peak 1230 spectrum 1 weight 0.10000E+01 volume 0.51821E-03 ppm1 3.669 ppm2 1.076 CV 1
ASSI { 1231}
(( segid "PAH3" and resid 513 and name HG2 ))
(( segid "PAH3" and resid 513 and name HD1 ))
3.200 1.300 1.300 peak 1231 spectrum 1 weight 0.10000E+01 volume 0.25439E-02 ppm1 3.888 ppm2 2.083 CV 1
OR { 1231}
(( segid "PAH3" and resid 513 and name HB2 ))
(( segid "PAH3" and resid 513 and name HD1 ))
ASSI { 1232}
( segid "PAH3" and resid 496 and name HG2%)
( segid "PAH3" and resid 490 and name HG2%)
2.700 0.900 0.900 peak 1232 spectrum 1 weight 0.10000E+01 volume 0.21308E-02 ppm1 1.343 ppm2 0.807 CV 1
OR { 1232}
(( segid "PAH3" and resid 496 and name HG12))
( segid "PAH3" and resid 490 and name HG2%)
ASSI { 1238}
(( segid "PAH3" and resid 491 and name HZ ))
(( segid "PAH3" and resid 498 and name HA ))
3.600 1.600 1.600 peak 1238 spectrum 1 weight 0.10000E+01 volume 0.11596E-02 ppm1 4.027 ppm2 -0.749 CV 1
ASSI { 1239}
(( segid "PAH3" and resid 518 and name HZ2 ))
(( segid "PAH3" and resid 463 and name HB ))
4.500 2.500 1.500 peak 1239 spectrum 1 weight 0.10000E+01 volume 0.20221E-03 ppm1 4.447 ppm2 -0.928 CV 1
ASSI { 1240}
( segid "PAH3" and resid 519 and name HE% )
( segid "PAH3" and resid 488 and name HD2%)
3.300 1.400 1.400 peak 1240 spectrum 1 weight 0.10000E+01 volume 0.10944E-02 ppm1 0.042 ppm2 -0.993 CV 1
ASSI { 3}
( segid "SAP" and resid 161 and name HD% )
( segid "SAP" and resid 182 and name HG2%)
2.600 0.800 0.800 peak 3 spectrum 1 weight 0.10000E+01 volume 0.32561E-02 ppm1 6.723 ppm2 -0.193 CV 1
ASSI { 6}
( segid "SAP" and resid 186 and name HD% )
(( segid "SAP" and resid 187 and name HG1 ))
3.000 1.100 1.100 peak 6 spectrum 1 weight 0.10000E+01 volume 0.19520E-02 ppm1 7.226 ppm2 1.676 CV 1
OR { 6}
( segid "SAP" and resid 186 and name HD% )
(( segid "SAP" and resid 187 and name HG2 ))
ASSI { 7}
( segid "SAP" and resid 202 and name HD% )
( segid "SAP" and resid 201 and name HG2%)
4.100 2.100 1.900 peak 7 spectrum 1 weight 0.10000E+01 volume 0.33775E-03 ppm1 7.176 ppm2 1.025 CV 1
ASSI { 13}
( segid "SAP" and resid 161 and name HD% )
(( segid "SAP" and resid 161 and name HA ))
2.700 0.900 0.900 peak 13 spectrum 1 weight 0.10000E+01 volume 0.42604E-02 ppm1 6.722 ppm2 3.885 CV 1
ASSI { 14}
( segid "SAP" and resid 161 and name HD% )
( segid "SAP" and resid 161 and name HE% )
2.400 0.700 0.700 peak 14 spectrum 1 weight 0.10000E+01 volume 0.53295E-02 ppm1 6.721 ppm2 7.227 CV 1
ASSI { 15}
( segid "SAP" and resid 161 and name HD% )
(( segid "SAP" and resid 161 and name HB2 ))
2.500 0.800 0.800 peak 15 spectrum 1 weight 0.10000E+01 volume 0.37987E-02 ppm1 6.721 ppm2 2.658 CV 1
OR { 15}
( segid "SAP" and resid 161 and name HD% )
(( segid "SAP" and resid 161 and name HB1 ))
ASSI { 17}
( segid "SAP" and resid 165 and name HD% )
(( segid "SAP" and resid 165 and name HA ))
2.400 0.700 0.700 peak 17 spectrum 1 weight 0.10000E+01 volume 0.91526E-02 ppm1 6.964 ppm2 4.325 CV 1
ASSI { 18}
( segid "SAP" and resid 165 and name HD% )
(( segid "SAP" and resid 165 and name HB1 ))
2.600 0.900 0.900 peak 18 spectrum 1 weight 0.10000E+01 volume 0.36610E-02 ppm1 6.961 ppm2 2.902 CV 1
ASSI { 19}
( segid "SAP" and resid 165 and name HD% )
(( segid "SAP" and resid 165 and name HB2 ))
2.800 1.000 1.000 peak 19 spectrum 1 weight 0.10000E+01 volume 0.27619E-02 ppm1 6.963 ppm2 2.067 CV 1
ASSI { 20}
( segid "SAP" and resid 165 and name HD% )
( segid "SAP" and resid 165 and name HE% )
2.400 0.700 0.700 peak 20 spectrum 1 weight 0.10000E+01 volume 0.62043E-02 ppm1 6.962 ppm2 6.721 CV 1
ASSI { 22}
(( segid "SAP" and resid 185 and name HD2 ))
(( segid "SAP" and resid 185 and name HB1 ))
4.200 2.200 1.800 peak 22 spectrum 1 weight 0.10000E+01 volume 0.63096E-03 ppm1 7.013 ppm2 3.337 CV 1
ASSI { 23}
(( segid "SAP" and resid 185 and name HD2 ))
(( segid "SAP" and resid 185 and name HB2 ))
3.200 1.300 1.300 peak 23 spectrum 1 weight 0.10000E+01 volume 0.11016E-02 ppm1 7.012 ppm2 3.210 CV 1
ASSI { 24}
( segid "SAP" and resid 186 and name HD% )
( segid "SAP" and resid 148 and name HG1%)
4.100 2.100 1.900 peak 24 spectrum 1 weight 0.10000E+01 volume 0.34828E-03 ppm1 7.226 ppm2 0.966 CV 1
ASSI { 26}
( segid "SAP" and resid 186 and name HD% )
( segid "SAP" and resid 150 and name HD2%)
4.300 2.300 1.700 peak 26 spectrum 1 weight 0.10000E+01 volume 0.23327E-03 ppm1 7.227 ppm2 0.200 CV 1
ASSI { 27}
( segid "SAP" and resid 186 and name HD% )
(( segid "SAP" and resid 186 and name HA ))
2.800 1.000 1.000 peak 27 spectrum 1 weight 0.10000E+01 volume 0.24299E-02 ppm1 7.225 ppm2 4.056 CV 1
ASSI { 29}
( segid "SAP" and resid 186 and name HD% )
(( segid "SAP" and resid 186 and name HB2 ))
2.900 1.000 1.000 peak 29 spectrum 1 weight 0.10000E+01 volume 0.25838E-02 ppm1 7.224 ppm2 3.005 CV 1
ASSI { 30}
( segid "SAP" and resid 186 and name HD% )
( segid "SAP" and resid 186 and name HE% )
1.800 0.400 0.400 peak 30 spectrum 1 weight 0.10000E+01 volume 0.24865E-01 ppm1 7.226 ppm2 7.120 CV 1
ASSI { 31}
( segid "SAP" and resid 186 and name HD% )
(( segid "SAP" and resid 186 and name HZ ))
3.200 1.300 1.300 peak 31 spectrum 1 weight 0.10000E+01 volume 0.23489E-02 ppm1 7.227 ppm2 7.469 CV 1
ASSI { 35}
( segid "SAP" and resid 186 and name HE% )
(( segid "SAP" and resid 186 and name HZ ))
2.100 0.600 0.600 peak 35 spectrum 1 weight 0.10000E+01 volume 0.10529E-01 ppm1 7.119 ppm2 7.466 CV 1
ASSI { 36}
(( segid "SAP" and resid 186 and name HZ ))
( segid "SAP" and resid 148 and name HG1%)
3.200 1.300 1.300 peak 36 spectrum 1 weight 0.10000E+01 volume 0.32074E-02 ppm1 7.465 ppm2 0.966 CV 1
ASSI { 41}
( segid "SAP" and resid 200 and name HD% )
(( segid "SAP" and resid 200 and name HA ))
2.500 0.800 0.800 peak 41 spectrum 1 weight 0.10000E+01 volume 0.41632E-02 ppm1 7.653 ppm2 4.977 CV 1
ASSI { 42}
( segid "SAP" and resid 200 and name HD% )
(( segid "SAP" and resid 200 and name HB1 ))
2.500 0.800 0.800 peak 42 spectrum 1 weight 0.10000E+01 volume 0.32641E-02 ppm1 7.653 ppm2 3.616 CV 1
ASSI { 43}
( segid "SAP" and resid 200 and name HD% )
(( segid "SAP" and resid 200 and name HB2 ))
3.000 1.100 1.100 peak 43 spectrum 1 weight 0.10000E+01 volume 0.18791E-02 ppm1 7.654 ppm2 3.269 CV 1
ASSI { 44}
( segid "SAP" and resid 200 and name HD% )
( segid "SAP" and resid 200 and name HE% )
2.100 0.500 0.500 peak 44 spectrum 1 weight 0.10000E+01 volume 0.12960E-01 ppm1 7.653 ppm2 7.096 CV 1
ASSI { 45}
( segid "SAP" and resid 200 and name HD% )
(( segid "SAP" and resid 200 and name HZ ))
3.700 1.700 1.700 peak 45 spectrum 1 weight 0.10000E+01 volume 0.11016E-02 ppm1 7.654 ppm2 6.890 CV 1
ASSI { 46}
( segid "SAP" and resid 200 and name HD% )
( segid "SAP" and resid 201 and name HD1%)
4.000 2.000 2.000 peak 46 spectrum 1 weight 0.10000E+01 volume 0.89904E-03 ppm1 7.659 ppm2 1.034 CV 1
OR { 46}
( segid "SAP" and resid 200 and name HD% )
( segid "SAP" and resid 201 and name HG2%)
ASSI { 49}
( segid "SAP" and resid 200 and name HE% )
(( segid "SAP" and resid 200 and name HZ ))
2.000 0.500 0.500 peak 49 spectrum 1 weight 0.10000E+01 volume 0.17900E-01 ppm1 7.097 ppm2 6.892 CV 1
ASSI { 50}
( segid "SAP" and resid 200 and name HE% )
( segid "SAP" and resid 204 and name HG1%)
3.600 1.600 1.600 peak 50 spectrum 1 weight 0.10000E+01 volume 0.13283E-02 ppm1 7.092 ppm2 0.321 CV 1
ASSI { 53}
( segid "SAP" and resid 202 and name HD% )
(( segid "SAP" and resid 202 and name HA ))
2.900 1.000 1.000 peak 53 spectrum 1 weight 0.10000E+01 volume 0.28672E-02 ppm1 7.173 ppm2 4.164 CV 1
ASSI { 54}
( segid "SAP" and resid 202 and name HD% )
(( segid "SAP" and resid 202 and name HB1 ))
3.000 1.100 1.100 peak 54 spectrum 1 weight 0.10000E+01 volume 0.18791E-02 ppm1 7.174 ppm2 3.187 CV 1
ASSI { 55}
( segid "SAP" and resid 202 and name HD% )
(( segid "SAP" and resid 202 and name HB2 ))
3.000 1.100 1.100 peak 55 spectrum 1 weight 0.10000E+01 volume 0.20816E-02 ppm1 7.174 ppm2 3.131 CV 1
ASSI { 56}
( segid "SAP" and resid 202 and name HD% )
( segid "SAP" and resid 202 and name HE% )
2.200 0.600 0.600 peak 56 spectrum 1 weight 0.10000E+01 volume 0.10934E-01 ppm1 7.173 ppm2 6.798 CV 1
ASSI { 57}
( segid "SAP" and resid 202 and name HE% )
( segid "SAP" and resid 198 and name HG2%)
3.600 1.600 1.600 peak 57 spectrum 1 weight 0.10000E+01 volume 0.81803E-03 ppm1 6.798 ppm2 1.243 CV 1
ASSI { 59}
( segid "SAP" and resid 151 and name HD% )
(( segid "SAP" and resid 151 and name HA ))
2.900 1.000 1.000 peak 59 spectrum 1 weight 0.10000E+01 volume 0.26323E-02 ppm1 7.133 ppm2 3.836 CV 1
ASSI { 66}
( segid "SAP" and resid 151 and name HE% )
(( segid "SAP" and resid 175 and name HG1 ))
3.600 1.600 1.600 peak 66 spectrum 1 weight 0.10000E+01 volume 0.61071E-03 ppm1 6.717 ppm2 1.191 CV 1
ASSI { 69}
( segid "SAP" and resid 151 and name HD% )
(( segid "SAP" and resid 152 and name HA ))
3.200 1.300 1.300 peak 69 spectrum 1 weight 0.10000E+01 volume 0.14255E-02 ppm1 7.133 ppm2 4.083 CV 1
ASSI { 70}
(( segid "SAP" and resid 185 and name HD2 ))
(( segid "SAP" and resid 185 and name HA ))
3.200 1.300 1.300 peak 70 spectrum 1 weight 0.10000E+01 volume 0.15146E-02 ppm1 7.014 ppm2 4.055 CV 1
ASSI { 72}
( segid "SAP" and resid 165 and name HD% )
(( segid "SAP" and resid 185 and name HE1 ))
3.000 1.100 1.100 peak 72 spectrum 1 weight 0.10000E+01 volume 0.19034E-02 ppm1 6.959 ppm2 5.541 CV 1
ASSI { 73}
(( segid "SAP" and resid 185 and name HD2 ))
(( segid "SAP" and resid 185 and name HE1 ))
4.100 2.100 1.900 peak 73 spectrum 1 weight 0.10000E+01 volume 0.62204E-03 ppm1 7.013 ppm2 5.539 CV 1
ASSI { 74}
( segid "SAP" and resid 165 and name HD% )
(( segid "SAP" and resid 161 and name HA ))
3.400 1.400 1.400 peak 74 spectrum 1 weight 0.10000E+01 volume 0.74516E-03 ppm1 6.961 ppm2 3.875 CV 1
ASSI { 76}
( segid "SAP" and resid 165 and name HD% )
( segid "SAP" and resid 167 and name HD2%)
4.400 2.400 1.600 peak 76 spectrum 1 weight 0.10000E+01 volume 0.30130E-03 ppm1 6.959 ppm2 0.780 CV 1
ASSI { 79}
( segid "SAP" and resid 165 and name HE% )
(( segid "SAP" and resid 185 and name HE1 ))
4.200 2.200 1.800 peak 79 spectrum 1 weight 0.10000E+01 volume 0.24542E-03 ppm1 6.726 ppm2 5.539 CV 1
ASSI { 82}
(( segid "SAP" and resid 200 and name HZ ))
( segid "SAP" and resid 204 and name HG1%)
3.600 1.600 1.600 peak 82 spectrum 1 weight 0.10000E+01 volume 0.10934E-02 ppm1 6.882 ppm2 0.319 CV 1
ASSI { 4}
(( segid "SAP" and resid 205 and name HB1 ))
(( segid "SAP" and resid 206 and name HD22))
4.200 2.200 1.800 peak 4 spectrum 1 weight 0.10000E+01 volume 0.72465E-03 ppm1 6.700 ppm2 1.813 CV 1
OR { 4}
(( segid "SAP" and resid 205 and name HB2 ))
(( segid "SAP" and resid 206 and name HD22))
ASSI { 5}
(( segid "SAP" and resid 206 and name HB2 ))
(( segid "SAP" and resid 206 and name HD22))
3.800 1.800 1.800 peak 5 spectrum 1 weight 0.10000E+01 volume 0.26439E-02 ppm1 6.703 ppm2 2.436 CV 1
ASSI { 6}
(( segid "SAP" and resid 206 and name HB2 ))
(( segid "SAP" and resid 206 and name HD21))
2.900 1.000 1.000 peak 6 spectrum 1 weight 0.10000E+01 volume 0.31647E-02 ppm1 7.223 ppm2 2.434 CV 1
ASSI { 7}
(( segid "SAP" and resid 206 and name HB1 ))
(( segid "SAP" and resid 206 and name HD21))
3.400 1.500 1.500 peak 7 spectrum 1 weight 0.10000E+01 volume 0.24117E-02 ppm1 7.226 ppm2 2.670 CV 1
ASSI { 8}
(( segid "SAP" and resid 206 and name HB1 ))
(( segid "SAP" and resid 206 and name HD22))
4.300 2.300 1.700 peak 8 spectrum 1 weight 0.10000E+01 volume 0.12908E-02 ppm1 6.703 ppm2 2.671 CV 1
ASSI { 9}
(( segid "SAP" and resid 202 and name HA ))
(( segid "SAP" and resid 206 and name HD22))
4.300 2.300 1.700 peak 9 spectrum 1 weight 0.10000E+01 volume 0.63973E-03 ppm1 6.703 ppm2 4.167 CV 1
OR { 9}
(( segid "SAP" and resid 203 and name HA ))
(( segid "SAP" and resid 206 and name HD22))
ASSI { 10}
(( segid "SAP" and resid 202 and name HA ))
(( segid "SAP" and resid 206 and name HD21))
3.800 1.800 1.800 peak 10 spectrum 1 weight 0.10000E+01 volume 0.10134E-02 ppm1 7.224 ppm2 4.162 CV 1
OR { 10}
(( segid "SAP" and resid 203 and name HA ))
(( segid "SAP" and resid 206 and name HD21))
ASSI { 11}
(( segid "SAP" and resid 206 and name HD22))
(( segid "SAP" and resid 206 and name HD21))
1.800 0.400 0.400 peak 11 spectrum 1 weight 0.10000E+01 volume 0.38327E-01 ppm1 7.223 ppm2 6.700 CV 1
ASSI { 13}
(( segid "SAP" and resid 192 and name HB2 ))
(( segid "SAP" and resid 192 and name HD22))
4.000 2.000 2.000 peak 13 spectrum 1 weight 0.10000E+01 volume 0.20211E-02 ppm1 6.809 ppm2 2.599 CV 1
ASSI { 14}
(( segid "SAP" and resid 192 and name HB1 ))
(( segid "SAP" and resid 192 and name HD22))
4.700 2.800 1.300 peak 14 spectrum 1 weight 0.10000E+01 volume 0.71899E-03 ppm1 6.806 ppm2 2.904 CV 1
ASSI { 15}
(( segid "SAP" and resid 149 and name HA ))
(( segid "SAP" and resid 149 and name HN ))
3.000 1.200 1.200 peak 15 spectrum 1 weight 0.10000E+01 volume 0.31137E-02 ppm1 9.136 ppm2 4.865 CV 1
ASSI { 16}
(( segid "SAP" and resid 150 and name HA ))
(( segid "SAP" and resid 150 and name HN ))
2.900 1.100 1.100 peak 16 spectrum 1 weight 0.10000E+01 volume 0.36572E-02 ppm1 8.375 ppm2 3.804 CV 1
OR { 16}
(( segid "SAP" and resid 151 and name HA ))
(( segid "SAP" and resid 150 and name HN ))
ASSI { 17}
(( segid "SAP" and resid 150 and name HG ))
(( segid "SAP" and resid 150 and name HN ))
2.500 0.800 0.800 peak 17 spectrum 1 weight 0.10000E+01 volume 0.76428E-02 ppm1 8.371 ppm2 1.238 CV 1
ASSI { 18}
(( segid "SAP" and resid 192 and name HD21))
(( segid "SAP" and resid 192 and name HD22))
1.900 0.500 0.500 peak 18 spectrum 1 weight 0.10000E+01 volume 0.27401E-01 ppm1 6.809 ppm2 7.587 CV 1
ASSI { 19}
(( segid "SAP" and resid 154 and name HB2 ))
(( segid "SAP" and resid 154 and name HE22))
5.500 3.800 0.500 peak 19 spectrum 1 weight 0.10000E+01 volume 0.35950E-03 ppm1 6.948 ppm2 2.151 CV 1
ASSI { 20}
( segid "SAP" and resid 150 and name HD1%)
(( segid "SAP" and resid 150 and name HN ))
3.400 1.400 1.400 peak 20 spectrum 1 weight 0.10000E+01 volume 0.39969E-02 ppm1 8.371 ppm2 0.451 CV 1
ASSI { 21}
( segid "SAP" and resid 150 and name HD2%)
(( segid "SAP" and resid 150 and name HN ))
3.700 1.700 1.700 peak 21 spectrum 1 weight 0.10000E+01 volume 0.24457E-02 ppm1 8.372 ppm2 0.191 CV 1
ASSI { 22}
(( segid "SAP" and resid 151 and name HB1 ))
(( segid "SAP" and resid 151 and name HN ))
2.400 0.700 0.700 peak 22 spectrum 1 weight 0.10000E+01 volume 0.12002E-01 ppm1 7.990 ppm2 3.201 CV 1
ASSI { 23}
(( segid "SAP" and resid 151 and name HB2 ))
(( segid "SAP" and resid 151 and name HN ))
2.500 0.800 0.800 peak 23 spectrum 1 weight 0.10000E+01 volume 0.84920E-02 ppm1 7.989 ppm2 3.024 CV 1
ASSI { 24}
(( segid "SAP" and resid 151 and name HA ))
(( segid "SAP" and resid 152 and name HN ))
3.000 1.100 1.100 peak 24 spectrum 1 weight 0.10000E+01 volume 0.40422E-02 ppm1 7.106 ppm2 3.819 CV 1
OR { 24}
(( segid "SAP" and resid 150 and name HA ))
(( segid "SAP" and resid 152 and name HN ))
ASSI { 25}
(( segid "SAP" and resid 192 and name HB1 ))
(( segid "SAP" and resid 192 and name HD21))
3.500 1.600 1.600 peak 25 spectrum 1 weight 0.10000E+01 volume 0.10983E-02 ppm1 7.592 ppm2 2.915 CV 1
ASSI { 26}
(( segid "SAP" and resid 192 and name HB2 ))
(( segid "SAP" and resid 192 and name HD21))
2.800 1.000 1.000 peak 26 spectrum 1 weight 0.10000E+01 volume 0.53273E-02 ppm1 7.592 ppm2 2.624 CV 1
OR { 26}
(( segid "SAP" and resid 154 and name HG1 ))
(( segid "SAP" and resid 154 and name HE21))
OR { 26}
(( segid "SAP" and resid 154 and name HG2 ))
(( segid "SAP" and resid 154 and name HE21))
ASSI { 27}
(( segid "SAP" and resid 152 and name HA ))
(( segid "SAP" and resid 152 and name HN ))
2.800 1.000 1.000 peak 27 spectrum 1 weight 0.10000E+01 volume 0.55651E-02 ppm1 7.102 ppm2 4.089 CV 1
ASSI { 28}
(( segid "SAP" and resid 154 and name HG1 ))
(( segid "SAP" and resid 154 and name HE22))
3.900 1.900 1.900 peak 28 spectrum 1 weight 0.10000E+01 volume 0.20777E-02 ppm1 6.947 ppm2 2.616 CV 1
OR { 28}
(( segid "SAP" and resid 154 and name HG2 ))
(( segid "SAP" and resid 154 and name HE22))
ASSI { 29}
(( segid "SAP" and resid 128 and name HB1 ))
(( segid "SAP" and resid 128 and name HD22))
4.800 2.900 1.200 peak 29 spectrum 1 weight 0.10000E+01 volume 0.67370E-03 ppm1 6.898 ppm2 2.863 CV 1
OR { 29}
(( segid "SAP" and resid 209 and name HB1 ))
(( segid "SAP" and resid 209 and name HD22))
ASSI { 30}
(( segid "SAP" and resid 152 and name HG2 ))
(( segid "SAP" and resid 152 and name HN ))
2.500 0.800 0.800 peak 30 spectrum 1 weight 0.10000E+01 volume 0.10700E-01 ppm1 7.102 ppm2 2.326 CV 1
OR { 30}
(( segid "SAP" and resid 152 and name HG1 ))
(( segid "SAP" and resid 152 and name HN ))
ASSI { 31}
(( segid "SAP" and resid 209 and name HB2 ))
(( segid "SAP" and resid 209 and name HD22))
4.100 2.100 1.900 peak 31 spectrum 1 weight 0.10000E+01 volume 0.16248E-02 ppm1 6.897 ppm2 2.688 CV 1
ASSI { 32}
(( segid "SAP" and resid 152 and name HA ))
(( segid "SAP" and resid 153 and name HN ))
3.400 1.400 1.400 peak 32 spectrum 1 weight 0.10000E+01 volume 0.19079E-02 ppm1 7.177 ppm2 4.087 CV 1
ASSI { 33}
(( segid "SAP" and resid 153 and name HG ))
(( segid "SAP" and resid 153 and name HN ))
2.300 0.700 0.700 peak 33 spectrum 1 weight 0.10000E+01 volume 0.84354E-02 ppm1 7.177 ppm2 1.634 CV 1
ASSI { 34}
(( segid "SAP" and resid 153 and name HB1 ))
(( segid "SAP" and resid 153 and name HN ))
2.900 1.100 1.100 peak 34 spectrum 1 weight 0.10000E+01 volume 0.93412E-02 ppm1 7.177 ppm2 1.882 CV 1
ASSI { 35}
(( segid "SAP" and resid 209 and name HB2 ))
(( segid "SAP" and resid 209 and name HD21))
3.300 1.400 1.400 peak 35 spectrum 1 weight 0.10000E+01 volume 0.18796E-02 ppm1 7.369 ppm2 2.683 CV 1
ASSI { 36}
( segid "SAP" and resid 153 and name HD1%)
(( segid "SAP" and resid 153 and name HN ))
3.800 1.800 1.800 peak 36 spectrum 1 weight 0.10000E+01 volume 0.41441E-02 ppm1 7.177 ppm2 0.889 CV 1
ASSI { 37}
(( segid "SAP" and resid 153 and name HA ))
(( segid "SAP" and resid 154 and name HN ))
2.400 0.700 0.700 peak 37 spectrum 1 weight 0.10000E+01 volume 0.12229E-01 ppm1 9.160 ppm2 4.442 CV 1
OR { 37}
(( segid "SAP" and resid 157 and name HB ))
(( segid "SAP" and resid 154 and name HN ))
ASSI { 38}
( segid "SAP" and resid 153 and name HD1%)
(( segid "SAP" and resid 154 and name HN ))
3.800 1.800 1.800 peak 38 spectrum 1 weight 0.10000E+01 volume 0.34534E-02 ppm1 9.159 ppm2 0.889 CV 1
ASSI { 39}
(( segid "SAP" and resid 154 and name HA ))
(( segid "SAP" and resid 154 and name HN ))
2.900 1.100 1.100 peak 39 spectrum 1 weight 0.10000E+01 volume 0.37535E-02 ppm1 9.159 ppm2 4.247 CV 1
ASSI { 40}
(( segid "SAP" and resid 154 and name HG1 ))
(( segid "SAP" and resid 154 and name HN ))
2.700 0.900 0.900 peak 40 spectrum 1 weight 0.10000E+01 volume 0.70201E-02 ppm1 9.159 ppm2 2.618 CV 1
OR { 40}
(( segid "SAP" and resid 154 and name HG2 ))
(( segid "SAP" and resid 154 and name HN ))
ASSI { 41}
(( segid "SAP" and resid 154 and name HB1 ))
(( segid "SAP" and resid 154 and name HN ))
3.500 1.500 1.500 peak 41 spectrum 1 weight 0.10000E+01 volume 0.43989E-02 ppm1 9.159 ppm2 2.402 CV 1
ASSI { 42}
(( segid "SAP" and resid 154 and name HB2 ))
(( segid "SAP" and resid 154 and name HN ))
2.600 0.800 0.800 peak 42 spectrum 1 weight 0.10000E+01 volume 0.57746E-02 ppm1 9.158 ppm2 2.159 CV 1
ASSI { 43}
(( segid "SAP" and resid 154 and name HA ))
(( segid "SAP" and resid 155 and name HN ))
2.900 1.000 1.000 peak 43 spectrum 1 weight 0.10000E+01 volume 0.30798E-02 ppm1 8.855 ppm2 4.249 CV 1
ASSI { 44}
(( segid "SAP" and resid 155 and name HB ))
(( segid "SAP" and resid 155 and name HN ))
3.200 1.300 1.300 peak 44 spectrum 1 weight 0.10000E+01 volume 0.35667E-02 ppm1 8.853 ppm2 2.110 CV 1
ASSI { 45}
( segid "SAP" and resid 155 and name HG1%)
(( segid "SAP" and resid 155 and name HN ))
3.400 1.400 1.400 peak 45 spectrum 1 weight 0.10000E+01 volume 0.17663E-02 ppm1 8.852 ppm2 1.052 CV 1
ASSI { 46}
(( segid "SAP" and resid 156 and name HA ))
(( segid "SAP" and resid 156 and name HN ))
3.800 1.800 1.800 peak 46 spectrum 1 weight 0.10000E+01 volume 0.97942E-03 ppm1 8.943 ppm2 4.443 CV 1
ASSI { 47}
(( segid "SAP" and resid 209 and name HB1 ))
(( segid "SAP" and resid 209 and name HD21))
3.500 1.500 1.500 peak 47 spectrum 1 weight 0.10000E+01 volume 0.12512E-02 ppm1 7.368 ppm2 2.863 CV 1
ASSI { 48}
(( segid "SAP" and resid 209 and name HD21))
(( segid "SAP" and resid 209 and name HD22))
1.800 0.400 0.400 peak 48 spectrum 1 weight 0.10000E+01 volume 0.35214E-01 ppm1 6.899 ppm2 7.367 CV 1
ASSI { 49}
( segid "SAP" and resid 157 and name HG2%)
(( segid "SAP" and resid 157 and name HN ))
3.600 1.600 1.600 peak 49 spectrum 1 weight 0.10000E+01 volume 0.35497E-02 ppm1 7.452 ppm2 1.440 CV 1
ASSI { 51}
( segid "SAP" and resid 158 and name HD1%)
(( segid "SAP" and resid 158 and name HN ))
3.200 1.300 1.300 peak 51 spectrum 1 weight 0.10000E+01 volume 0.62841E-02 ppm1 7.717 ppm2 0.651 CV 1
OR { 51}
( segid "SAP" and resid 158 and name HD2%)
(( segid "SAP" and resid 158 and name HN ))
ASSI { 52}
(( segid "SAP" and resid 158 and name HG ))
(( segid "SAP" and resid 158 and name HN ))
2.500 0.800 0.800 peak 52 spectrum 1 weight 0.10000E+01 volume 0.69069E-02 ppm1 7.718 ppm2 1.569 CV 1
ASSI { 53}
(( segid "SAP" and resid 152 and name HG1 ))
(( segid "SAP" and resid 152 and name HE21))
2.700 0.900 0.900 peak 53 spectrum 1 weight 0.10000E+01 volume 0.51009E-02 ppm1 7.756 ppm2 2.319 CV 1
OR { 53}
(( segid "SAP" and resid 152 and name HG2 ))
(( segid "SAP" and resid 152 and name HE21))
ASSI { 54}
(( segid "SAP" and resid 159 and name HG1 ))
(( segid "SAP" and resid 159 and name HN ))
2.200 0.600 0.600 peak 54 spectrum 1 weight 0.10000E+01 volume 0.18739E-01 ppm1 8.652 ppm2 1.878 CV 1
OR { 54}
(( segid "SAP" and resid 159 and name HB2 ))
(( segid "SAP" and resid 159 and name HN ))
OR { 54}
(( segid "SAP" and resid 159 and name HB1 ))
(( segid "SAP" and resid 159 and name HN ))
ASSI { 55}
(( segid "SAP" and resid 160 and name HD2 ))
(( segid "SAP" and resid 160 and name HN ))
4.400 2.500 1.600 peak 55 spectrum 1 weight 0.10000E+01 volume 0.12681E-02 ppm1 7.836 ppm2 3.453 CV 1
OR { 55}
(( segid "SAP" and resid 160 and name HD1 ))
(( segid "SAP" and resid 160 and name HN ))
ASSI { 56}
(( segid "SAP" and resid 152 and name HG1 ))
(( segid "SAP" and resid 152 and name HE22))
3.500 1.500 1.500 peak 56 spectrum 1 weight 0.10000E+01 volume 0.38950E-02 ppm1 6.632 ppm2 2.330 CV 1
OR { 56}
(( segid "SAP" and resid 152 and name HG2 ))
(( segid "SAP" and resid 152 and name HE22))
ASSI { 57}
(( segid "SAP" and resid 149 and name HB1 ))
(( segid "SAP" and resid 152 and name HE22))
4.100 2.100 1.900 peak 57 spectrum 1 weight 0.10000E+01 volume 0.10813E-02 ppm1 6.634 ppm2 2.892 CV 1
ASSI { 58}
(( segid "SAP" and resid 161 and name HA ))
(( segid "SAP" and resid 161 and name HN ))
2.200 0.600 0.600 peak 58 spectrum 1 weight 0.10000E+01 volume 0.16644E-01 ppm1 8.490 ppm2 3.869 CV 1
ASSI { 59}
(( segid "SAP" and resid 161 and name HB1 ))
(( segid "SAP" and resid 161 and name HN ))
2.600 0.800 0.800 peak 59 spectrum 1 weight 0.10000E+01 volume 0.65672E-02 ppm1 8.487 ppm2 2.657 CV 1
OR { 59}
(( segid "SAP" and resid 161 and name HB2 ))
(( segid "SAP" and resid 161 and name HN ))
ASSI { 60}
(( segid "SAP" and resid 152 and name HA ))
(( segid "SAP" and resid 152 and name HE22))
5.600 3.900 0.400 peak 60 spectrum 1 weight 0.10000E+01 volume 0.51065E-03 ppm1 6.634 ppm2 4.080 CV 1
ASSI { 61}
(( segid "SAP" and resid 160 and name HG2 ))
(( segid "SAP" and resid 160 and name HN ))
3.500 1.500 1.500 peak 61 spectrum 1 weight 0.10000E+01 volume 0.30005E-02 ppm1 7.837 ppm2 1.572 CV 1
OR { 61}
(( segid "SAP" and resid 159 and name HG2 ))
(( segid "SAP" and resid 160 and name HN ))
ASSI { 62}
(( segid "SAP" and resid 152 and name HN ))
(( segid "SAP" and resid 152 and name HE22))
5.500 3.800 0.500 peak 62 spectrum 1 weight 0.10000E+01 volume 0.34874E-03 ppm1 6.630 ppm2 7.122 CV 1
ASSI { 63}
(( segid "SAP" and resid 163 and name HA ))
(( segid "SAP" and resid 163 and name HN ))
2.800 1.000 1.000 peak 63 spectrum 1 weight 0.10000E+01 volume 0.62275E-02 ppm1 8.186 ppm2 4.164 CV 1
ASSI { 65}
(( segid "SAP" and resid 163 and name HB2 ))
(( segid "SAP" and resid 163 and name HN ))
2.100 0.600 0.600 peak 65 spectrum 1 weight 0.10000E+01 volume 0.27627E-01 ppm1 8.187 ppm2 1.942 CV 1
OR { 65}
(( segid "SAP" and resid 163 and name HB1 ))
(( segid "SAP" and resid 163 and name HN ))
ASSI { 66}
(( segid "SAP" and resid 163 and name HG2 ))
(( segid "SAP" and resid 163 and name HN ))
3.100 1.200 1.200 peak 66 spectrum 1 weight 0.10000E+01 volume 0.80957E-02 ppm1 8.191 ppm2 1.600 CV 1
OR { 66}
(( segid "SAP" and resid 162 and name HD2 ))
(( segid "SAP" and resid 162 and name HN ))
OR { 66}
(( segid "SAP" and resid 162 and name HD2 ))
(( segid "SAP" and resid 163 and name HN ))
ASSI { 67}
(( segid "SAP" and resid 164 and name HB1 ))
(( segid "SAP" and resid 164 and name HN ))
2.800 1.000 1.000 peak 67 spectrum 1 weight 0.10000E+01 volume 0.87751E-02 ppm1 8.826 ppm2 2.936 CV 1
ASSI { 68}
(( segid "SAP" and resid 164 and name HB2 ))
(( segid "SAP" and resid 164 and name HN ))
2.500 0.800 0.800 peak 68 spectrum 1 weight 0.10000E+01 volume 0.71333E-02 ppm1 8.826 ppm2 2.604 CV 1
ASSI { 69}
(( segid "SAP" and resid 163 and name HB1 ))
(( segid "SAP" and resid 164 and name HN ))
2.600 0.800 0.800 peak 69 spectrum 1 weight 0.10000E+01 volume 0.94545E-02 ppm1 8.826 ppm2 1.921 CV 1
OR { 69}
(( segid "SAP" and resid 163 and name HB2 ))
(( segid "SAP" and resid 164 and name HN ))
ASSI { 70}
(( segid "SAP" and resid 149 and name HN ))
(( segid "SAP" and resid 152 and name HE22))
4.800 2.900 1.200 peak 70 spectrum 1 weight 0.10000E+01 volume 0.29156E-03 ppm1 6.634 ppm2 9.131 CV 1
ASSI { 71}
(( segid "SAP" and resid 164 and name HB2 ))
(( segid "SAP" and resid 165 and name HN ))
2.900 1.100 1.100 peak 71 spectrum 1 weight 0.10000E+01 volume 0.67370E-02 ppm1 7.787 ppm2 2.609 CV 1
ASSI { 72}
(( segid "SAP" and resid 165 and name HB1 ))
(( segid "SAP" and resid 165 and name HN ))
2.700 0.900 0.900 peak 72 spectrum 1 weight 0.10000E+01 volume 0.10700E-01 ppm1 7.789 ppm2 2.911 CV 1
OR { 72}
(( segid "SAP" and resid 164 and name HB1 ))
(( segid "SAP" and resid 165 and name HN ))
ASSI { 73}
(( segid "SAP" and resid 166 and name HA ))
(( segid "SAP" and resid 166 and name HN ))
2.200 0.600 0.600 peak 73 spectrum 1 weight 0.10000E+01 volume 0.17890E-01 ppm1 7.554 ppm2 3.805 CV 1
ASSI { 74}
(( segid "SAP" and resid 166 and name HB1 ))
(( segid "SAP" and resid 166 and name HN ))
3.200 1.200 1.200 peak 74 spectrum 1 weight 0.10000E+01 volume 0.51688E-02 ppm1 7.555 ppm2 2.040 CV 1
OR { 74}
(( segid "SAP" and resid 165 and name HB2 ))
(( segid "SAP" and resid 166 and name HN ))
ASSI { 75}
(( segid "SAP" and resid 166 and name HB2 ))
(( segid "SAP" and resid 166 and name HN ))
3.200 1.300 1.300 peak 75 spectrum 1 weight 0.10000E+01 volume 0.31817E-02 ppm1 7.554 ppm2 1.801 CV 1
ASSI { 76}
(( segid "SAP" and resid 166 and name HG2 ))
(( segid "SAP" and resid 166 and name HN ))
2.600 0.800 0.800 peak 76 spectrum 1 weight 0.10000E+01 volume 0.88883E-02 ppm1 7.556 ppm2 1.266 CV 1
OR { 76}
(( segid "SAP" and resid 166 and name HG1 ))
(( segid "SAP" and resid 166 and name HN ))
ASSI { 77}
(( segid "SAP" and resid 167 and name HA ))
(( segid "SAP" and resid 167 and name HN ))
3.100 1.200 1.200 peak 77 spectrum 1 weight 0.10000E+01 volume 0.26099E-02 ppm1 8.273 ppm2 4.528 CV 1
ASSI { 78}
( segid "SAP" and resid 167 and name HD2%)
(( segid "SAP" and resid 167 and name HN ))
3.500 1.500 1.500 peak 78 spectrum 1 weight 0.10000E+01 volume 0.40366E-02 ppm1 8.276 ppm2 0.775 CV 1
ASSI { 79}
( segid "SAP" and resid 167 and name HD1%)
(( segid "SAP" and resid 167 and name HN ))
3.400 1.500 1.500 peak 79 spectrum 1 weight 0.10000E+01 volume 0.45800E-02 ppm1 8.276 ppm2 0.880 CV 1
ASSI { 80}
(( segid "SAP" and resid 149 and name HN ))
(( segid "SAP" and resid 152 and name HE21))
4.100 2.100 1.900 peak 80 spectrum 1 weight 0.10000E+01 volume 0.71899E-03 ppm1 7.757 ppm2 9.127 CV 1
ASSI { 81}
(( segid "SAP" and resid 152 and name HE22))
(( segid "SAP" and resid 152 and name HE21))
1.700 0.400 0.500 peak 81 spectrum 1 weight 0.10000E+01 volume 0.49084E-01 ppm1 7.758 ppm2 6.629 CV 1
ASSI { 82}
( segid "SAP" and resid 169 and name HG2%)
(( segid "SAP" and resid 169 and name HN ))
3.000 1.100 1.100 peak 82 spectrum 1 weight 0.10000E+01 volume 0.44045E-02 ppm1 8.088 ppm2 1.066 CV 1
ASSI { 83}
(( segid "SAP" and resid 169 and name HB ))
(( segid "SAP" and resid 169 and name HN ))
3.600 1.700 1.700 peak 83 spectrum 1 weight 0.10000E+01 volume 0.15512E-02 ppm1 8.089 ppm2 4.151 CV 1
ASSI { 85}
(( segid "SAP" and resid 141 and name HE21))
(( segid "SAP" and resid 141 and name HE22))
1.600 0.300 0.600 peak 85 spectrum 1 weight 0.10000E+01 volume 0.74730E-01 ppm1 6.797 ppm2 7.475 CV 1
ASSI { 87}
(( segid "SAP" and resid 174 and name HD21))
(( segid "SAP" and resid 174 and name HD22))
2.100 0.500 0.500 peak 87 spectrum 1 weight 0.10000E+01 volume 0.15059E-01 ppm1 6.853 ppm2 7.366 CV 1
ASSI { 88}
(( segid "SAP" and resid 174 and name HB2 ))
(( segid "SAP" and resid 174 and name HD21))
3.400 1.400 1.400 peak 88 spectrum 1 weight 0.10000E+01 volume 0.16701E-02 ppm1 7.362 ppm2 2.920 CV 1
ASSI { 89}
(( segid "SAP" and resid 174 and name HB1 ))
(( segid "SAP" and resid 174 and name HD21))
3.400 1.500 1.500 peak 89 spectrum 1 weight 0.10000E+01 volume 0.14153E-02 ppm1 7.368 ppm2 3.280 CV 1
ASSI { 90}
(( segid "SAP" and resid 174 and name HB1 ))
(( segid "SAP" and resid 174 and name HD22))
4.400 2.400 1.600 peak 90 spectrum 1 weight 0.10000E+01 volume 0.10360E-02 ppm1 6.848 ppm2 3.276 CV 1
ASSI { 91}
(( segid "SAP" and resid 177 and name HG2 ))
(( segid "SAP" and resid 178 and name HN ))
4.000 2.000 2.000 peak 91 spectrum 1 weight 0.10000E+01 volume 0.17947E-02 ppm1 8.362 ppm2 2.416 CV 1
ASSI { 92}
(( segid "SAP" and resid 174 and name HB2 ))
(( segid "SAP" and resid 174 and name HD22))
4.200 2.200 1.800 peak 92 spectrum 1 weight 0.10000E+01 volume 0.13814E-02 ppm1 6.853 ppm2 2.911 CV 1
ASSI { 93}
(( segid "SAP" and resid 177 and name HG1 ))
(( segid "SAP" and resid 177 and name HN ))
3.100 1.200 1.200 peak 93 spectrum 1 weight 0.10000E+01 volume 0.93412E-02 ppm1 8.287 ppm2 2.656 CV 1
ASSI { 94}
(( segid "SAP" and resid 177 and name HG2 ))
(( segid "SAP" and resid 177 and name HN ))
2.600 0.800 0.800 peak 94 spectrum 1 weight 0.10000E+01 volume 0.55708E-02 ppm1 8.287 ppm2 2.413 CV 1
ASSI { 95}
(( segid "SAP" and resid 177 and name HB1 ))
(( segid "SAP" and resid 177 and name HN ))
3.200 1.300 1.300 peak 95 spectrum 1 weight 0.10000E+01 volume 0.77561E-02 ppm1 8.286 ppm2 2.279 CV 1
ASSI { 96}
(( segid "SAP" and resid 177 and name HB2 ))
(( segid "SAP" and resid 177 and name HE22))
6.000 4.900 0.000 peak 96 spectrum 1 weight 0.10000E+01 volume 0.18456E-03 ppm1 6.616 ppm2 1.973 CV 1
ASSI { 97}
(( segid "SAP" and resid 178 and name HB1 ))
(( segid "SAP" and resid 178 and name HN ))
2.800 1.000 1.000 peak 97 spectrum 1 weight 0.10000E+01 volume 0.10813E-01 ppm1 8.364 ppm2 1.777 CV 1
ASSI { 98}
( segid "SAP" and resid 178 and name HD2%)
(( segid "SAP" and resid 178 and name HN ))
3.100 1.200 1.200 peak 98 spectrum 1 weight 0.10000E+01 volume 0.76428E-02 ppm1 8.365 ppm2 0.800 CV 1
OR { 98}
( segid "SAP" and resid 178 and name HD1%)
(( segid "SAP" and resid 178 and name HN ))
ASSI { 99}
( segid "SAP" and resid 173 and name HD2%)
(( segid "SAP" and resid 177 and name HE21))
4.600 2.600 1.400 peak 99 spectrum 1 weight 0.10000E+01 volume 0.40762E-03 ppm1 7.445 ppm2 0.730 CV 1
ASSI { 100}
(( segid "SAP" and resid 176 and name HA ))
(( segid "SAP" and resid 179 and name HN ))
2.900 1.100 1.100 peak 100 spectrum 1 weight 0.10000E+01 volume 0.43423E-02 ppm1 8.735 ppm2 4.035 CV 1
OR { 100}
(( segid "SAP" and resid 178 and name HA ))
(( segid "SAP" and resid 179 and name HN ))
ASSI { 101}
(( segid "SAP" and resid 178 and name HB1 ))
(( segid "SAP" and resid 179 and name HN ))
3.200 1.300 1.300 peak 101 spectrum 1 weight 0.10000E+01 volume 0.36459E-02 ppm1 8.735 ppm2 1.767 CV 1
ASSI { 102}
(( segid "SAP" and resid 178 and name HB2 ))
(( segid "SAP" and resid 179 and name HN ))
2.500 0.800 0.800 peak 102 spectrum 1 weight 0.10000E+01 volume 0.53330E-02 ppm1 8.735 ppm2 1.545 CV 1
OR { 102}
(( segid "SAP" and resid 178 and name HG ))
(( segid "SAP" and resid 179 and name HN ))
ASSI { 103}
( segid "SAP" and resid 173 and name HD2%)
(( segid "SAP" and resid 177 and name HE22))
4.600 2.600 1.400 peak 103 spectrum 1 weight 0.10000E+01 volume 0.54462E-03 ppm1 6.616 ppm2 0.720 CV 1
ASSI { 104}
(( segid "SAP" and resid 177 and name HG2 ))
(( segid "SAP" and resid 177 and name HE21))
2.900 1.100 1.100 peak 104 spectrum 1 weight 0.10000E+01 volume 0.29666E-02 ppm1 7.441 ppm2 2.413 CV 1
ASSI { 105}
(( segid "SAP" and resid 179 and name HA ))
(( segid "SAP" and resid 180 and name HN ))
3.300 1.300 1.300 peak 105 spectrum 1 weight 0.10000E+01 volume 0.21570E-02 ppm1 7.599 ppm2 3.159 CV 1
ASSI { 106}
( segid "SAP" and resid 179 and name HG1%)
(( segid "SAP" and resid 180 and name HN ))
3.400 1.500 1.500 peak 106 spectrum 1 weight 0.10000E+01 volume 0.25929E-02 ppm1 7.597 ppm2 0.593 CV 1
ASSI { 107}
( segid "SAP" and resid 179 and name HG2%)
(( segid "SAP" and resid 180 and name HN ))
3.700 1.700 1.700 peak 107 spectrum 1 weight 0.10000E+01 volume 0.34931E-02 ppm1 7.597 ppm2 0.467 CV 1
ASSI { 108}
(( segid "SAP" and resid 180 and name HG1 ))
(( segid "SAP" and resid 180 and name HN ))
2.900 1.100 1.100 peak 108 spectrum 1 weight 0.10000E+01 volume 0.54406E-02 ppm1 7.594 ppm2 2.393 CV 1
ASSI { 109}
(( segid "SAP" and resid 181 and name HB ))
(( segid "SAP" and resid 181 and name HN ))
2.400 0.700 0.700 peak 109 spectrum 1 weight 0.10000E+01 volume 0.12002E-01 ppm1 7.382 ppm2 1.919 CV 1
ASSI { 110}
(( segid "SAP" and resid 181 and name HG11))
(( segid "SAP" and resid 181 and name HN ))
2.200 0.600 0.600 peak 110 spectrum 1 weight 0.10000E+01 volume 0.78693E-02 ppm1 7.382 ppm2 1.736 CV 1
ASSI { 111}
(( segid "SAP" and resid 181 and name HG12))
(( segid "SAP" and resid 181 and name HN ))
3.700 1.700 1.700 peak 111 spectrum 1 weight 0.10000E+01 volume 0.46989E-02 ppm1 7.380 ppm2 1.297 CV 1
ASSI { 112}
(( segid "SAP" and resid 181 and name HA ))
(( segid "SAP" and resid 182 and name HN ))
3.300 1.400 1.400 peak 112 spectrum 1 weight 0.10000E+01 volume 0.22476E-02 ppm1 8.566 ppm2 3.847 CV 1
ASSI { 113}
(( segid "SAP" and resid 182 and name HA ))
(( segid "SAP" and resid 182 and name HN ))
2.900 1.100 1.100 peak 113 spectrum 1 weight 0.10000E+01 volume 0.36233E-02 ppm1 8.567 ppm2 3.309 CV 1
ASSI { 114}
(( segid "SAP" and resid 181 and name HB ))
(( segid "SAP" and resid 182 and name HN ))
2.600 0.800 0.800 peak 114 spectrum 1 weight 0.10000E+01 volume 0.52821E-02 ppm1 8.567 ppm2 1.924 CV 1
ASSI { 115}
(( segid "SAP" and resid 182 and name HB ))
(( segid "SAP" and resid 182 and name HN ))
2.500 0.800 0.800 peak 115 spectrum 1 weight 0.10000E+01 volume 0.94545E-02 ppm1 8.568 ppm2 1.702 CV 1
OR { 115}
(( segid "SAP" and resid 181 and name HG11))
(( segid "SAP" and resid 182 and name HN ))
ASSI { 116}
(( segid "SAP" and resid 181 and name HG12))
(( segid "SAP" and resid 182 and name HN ))
4.800 2.800 1.200 peak 116 spectrum 1 weight 0.10000E+01 volume 0.11266E-02 ppm1 8.570 ppm2 1.300 CV 1
ASSI { 117}
(( segid "SAP" and resid 205 and name HB1 ))
(( segid "SAP" and resid 206 and name HD21))
3.900 1.900 1.900 peak 117 spectrum 1 weight 0.10000E+01 volume 0.88883E-03 ppm1 7.223 ppm2 1.825 CV 1
OR { 117}
(( segid "SAP" and resid 205 and name HB2 ))
(( segid "SAP" and resid 206 and name HD21))
ASSI { 118}
(( segid "SAP" and resid 177 and name HG1 ))
(( segid "SAP" and resid 177 and name HE21))
3.400 1.400 1.400 peak 118 spectrum 1 weight 0.10000E+01 volume 0.15852E-02 ppm1 7.442 ppm2 2.657 CV 1
ASSI { 119}
(( segid "SAP" and resid 177 and name HG2 ))
(( segid "SAP" and resid 177 and name HE22))
3.900 1.900 1.900 peak 119 spectrum 1 weight 0.10000E+01 volume 0.19532E-02 ppm1 6.622 ppm2 2.411 CV 1
ASSI { 120}
(( segid "SAP" and resid 182 and name HA ))
(( segid "SAP" and resid 183 and name HN ))
3.500 1.500 1.500 peak 120 spectrum 1 weight 0.10000E+01 volume 0.25759E-02 ppm1 8.952 ppm2 3.324 CV 1
OR { 120}
(( segid "SAP" and resid 186 and name HB1 ))
(( segid "SAP" and resid 183 and name HN ))
ASSI { 121}
(( segid "SAP" and resid 182 and name HB ))
(( segid "SAP" and resid 183 and name HN ))
2.700 0.900 0.900 peak 121 spectrum 1 weight 0.10000E+01 volume 0.43083E-02 ppm1 8.950 ppm2 1.703 CV 1
ASSI { 122}
(( segid "SAP" and resid 177 and name HG1 ))
(( segid "SAP" and resid 177 and name HE22))
4.100 2.100 1.900 peak 122 spectrum 1 weight 0.10000E+01 volume 0.16135E-02 ppm1 6.617 ppm2 2.660 CV 1
ASSI { 123}
(( segid "SAP" and resid 177 and name HE22))
(( segid "SAP" and resid 177 and name HE21))
1.900 0.500 0.500 peak 123 spectrum 1 weight 0.10000E+01 volume 0.26495E-01 ppm1 7.442 ppm2 6.617 CV 1
ASSI { 124}
(( segid "SAP" and resid 184 and name HA ))
(( segid "SAP" and resid 184 and name HN ))
2.600 0.900 0.900 peak 124 spectrum 1 weight 0.10000E+01 volume 0.90016E-02 ppm1 7.625 ppm2 4.141 CV 1
ASSI { 126}
(( segid "SAP" and resid 185 and name HB1 ))
(( segid "SAP" and resid 184 and name HN ))
3.400 1.500 1.500 peak 126 spectrum 1 weight 0.10000E+01 volume 0.29722E-02 ppm1 7.626 ppm2 3.319 CV 1
OR { 126}
(( segid "SAP" and resid 182 and name HA ))
(( segid "SAP" and resid 184 and name HN ))
ASSI { 127}
(( segid "SAP" and resid 184 and name HB1 ))
(( segid "SAP" and resid 184 and name HN ))
2.400 0.700 0.700 peak 127 spectrum 1 weight 0.10000E+01 volume 0.12512E-01 ppm1 7.626 ppm2 3.105 CV 1
ASSI { 128}
(( segid "SAP" and resid 186 and name HB2 ))
(( segid "SAP" and resid 186 and name HN ))
2.600 0.900 0.900 peak 128 spectrum 1 weight 0.10000E+01 volume 0.55142E-02 ppm1 9.448 ppm2 3.002 CV 1
ASSI { 129}
(( segid "SAP" and resid 186 and name HB1 ))
(( segid "SAP" and resid 187 and name HN ))
2.600 0.900 0.900 peak 129 spectrum 1 weight 0.10000E+01 volume 0.48008E-02 ppm1 7.471 ppm2 3.359 CV 1
ASSI { 130}
(( segid "SAP" and resid 187 and name HA ))
(( segid "SAP" and resid 187 and name HN ))
2.700 0.900 0.900 peak 130 spectrum 1 weight 0.10000E+01 volume 0.73032E-02 ppm1 7.466 ppm2 3.880 CV 1
ASSI { 131}
(( segid "SAP" and resid 188 and name HA ))
(( segid "SAP" and resid 188 and name HN ))
2.800 1.000 1.000 peak 131 spectrum 1 weight 0.10000E+01 volume 0.57180E-02 ppm1 7.675 ppm2 4.364 CV 1
ASSI { 132}
(( segid "SAP" and resid 187 and name HG1 ))
(( segid "SAP" and resid 188 and name HN ))
3.400 1.500 1.500 peak 132 spectrum 1 weight 0.10000E+01 volume 0.25929E-02 ppm1 7.674 ppm2 1.692 CV 1
OR { 132}
(( segid "SAP" and resid 187 and name HG2 ))
(( segid "SAP" and resid 188 and name HN ))
ASSI { 133}
(( segid "SAP" and resid 188 and name HA ))
(( segid "SAP" and resid 189 and name HN ))
3.400 1.500 1.500 peak 133 spectrum 1 weight 0.10000E+01 volume 0.18456E-02 ppm1 7.132 ppm2 4.371 CV 1
ASSI { 134}
(( segid "SAP" and resid 219 and name HA ))
(( segid "SAP" and resid 220 and name HN ))
3.000 1.100 1.100 peak 134 spectrum 1 weight 0.10000E+01 volume 0.36403E-02 ppm1 7.961 ppm2 4.052 CV 1
ASSI { 135}
(( segid "SAP" and resid 189 and name HA ))
(( segid "SAP" and resid 189 and name HN ))
2.900 1.100 1.100 peak 135 spectrum 1 weight 0.10000E+01 volume 0.37988E-02 ppm1 7.132 ppm2 3.741 CV 1
OR { 135}
(( segid "SAP" and resid 188 and name HB2 ))
(( segid "SAP" and resid 189 and name HN ))
ASSI { 136}
(( segid "SAP" and resid 189 and name HG11))
(( segid "SAP" and resid 189 and name HN ))
2.600 0.800 0.800 peak 136 spectrum 1 weight 0.10000E+01 volume 0.52877E-02 ppm1 7.132 ppm2 1.509 CV 1
ASSI { 137}
(( segid "SAP" and resid 189 and name HB ))
(( segid "SAP" and resid 189 and name HN ))
2.600 0.800 0.800 peak 137 spectrum 1 weight 0.10000E+01 volume 0.61143E-02 ppm1 7.131 ppm2 1.226 CV 1
ASSI { 138}
(( segid "SAP" and resid 190 and name HA ))
(( segid "SAP" and resid 191 and name HN ))
2.200 0.600 0.600 peak 138 spectrum 1 weight 0.10000E+01 volume 0.21117E-01 ppm1 8.398 ppm2 4.507 CV 1
ASSI { 139}
(( segid "SAP" and resid 192 and name HB2 ))
(( segid "SAP" and resid 192 and name HN ))
2.900 1.100 1.100 peak 139 spectrum 1 weight 0.10000E+01 volume 0.35327E-02 ppm1 8.512 ppm2 2.617 CV 1
ASSI { 140}
(( segid "SAP" and resid 191 and name HB ))
(( segid "SAP" and resid 192 and name HN ))
4.300 2.300 1.700 peak 140 spectrum 1 weight 0.10000E+01 volume 0.11493E-02 ppm1 8.510 ppm2 1.798 CV 1
ASSI { 141}
(( segid "SAP" and resid 192 and name HB1 ))
(( segid "SAP" and resid 192 and name HN ))
3.300 1.300 1.300 peak 141 spectrum 1 weight 0.10000E+01 volume 0.33628E-02 ppm1 8.509 ppm2 2.900 CV 1
ASSI { 142}
(( segid "SAP" and resid 193 and name HA ))
(( segid "SAP" and resid 194 and name HN ))
3.800 1.800 1.800 peak 142 spectrum 1 weight 0.10000E+01 volume 0.99074E-03 ppm1 8.435 ppm2 3.522 CV 1
ASSI { 143}
(( segid "SAP" and resid 147 and name HB1 ))
(( segid "SAP" and resid 147 and name HN ))
2.700 0.900 0.900 peak 143 spectrum 1 weight 0.10000E+01 volume 0.87185E-02 ppm1 7.761 ppm2 1.964 CV 1
OR { 143}
(( segid "SAP" and resid 219 and name HB ))
(( segid "SAP" and resid 219 and name HN ))
ASSI { 144}
(( segid "SAP" and resid 218 and name HA2 ))
(( segid "SAP" and resid 219 and name HN ))
3.000 1.100 1.100 peak 144 spectrum 1 weight 0.10000E+01 volume 0.40988E-02 ppm1 7.781 ppm2 3.936 CV 1
OR { 144}
(( segid "SAP" and resid 218 and name HA1 ))
(( segid "SAP" and resid 219 and name HN ))
ASSI { 145}
(( segid "SAP" and resid 196 and name HB ))
(( segid "SAP" and resid 196 and name HN ))
2.500 0.800 0.800 peak 145 spectrum 1 weight 0.10000E+01 volume 0.78127E-02 ppm1 8.201 ppm2 4.037 CV 1
ASSI { 146}
(( segid "SAP" and resid 197 and name HB1 ))
(( segid "SAP" and resid 197 and name HN ))
3.100 1.200 1.200 peak 146 spectrum 1 weight 0.10000E+01 volume 0.73598E-02 ppm1 8.480 ppm2 1.711 CV 1
ASSI { 147}
(( segid "SAP" and resid 197 and name HG ))
(( segid "SAP" and resid 197 and name HN ))
2.400 0.700 0.700 peak 147 spectrum 1 weight 0.10000E+01 volume 0.66238E-02 ppm1 8.481 ppm2 1.449 CV 1
ASSI { 148}
( segid "SAP" and resid 197 and name HD1%)
(( segid "SAP" and resid 197 and name HN ))
3.900 1.900 1.900 peak 148 spectrum 1 weight 0.10000E+01 volume 0.38101E-02 ppm1 8.477 ppm2 0.578 CV 1
ASSI { 149}
(( segid "SAP" and resid 197 and name HB2 ))
(( segid "SAP" and resid 197 and name HN ))
2.700 0.900 0.900 peak 149 spectrum 1 weight 0.10000E+01 volume 0.48914E-02 ppm1 8.480 ppm2 1.155 CV 1
ASSI { 150}
( segid "SAP" and resid 197 and name HD2%)
(( segid "SAP" and resid 197 and name HN ))
3.400 1.400 1.400 peak 150 spectrum 1 weight 0.10000E+01 volume 0.28250E-02 ppm1 8.481 ppm2 -0.056 CV 1
ASSI { 151}
( segid "SAP" and resid 198 and name HG2%)
(( segid "SAP" and resid 198 and name HN ))
3.700 1.700 1.700 peak 151 spectrum 1 weight 0.10000E+01 volume 0.38214E-02 ppm1 8.047 ppm2 1.254 CV 1
ASSI { 152}
(( segid "SAP" and resid 197 and name HB1 ))
(( segid "SAP" and resid 198 and name HN ))
3.400 1.500 1.500 peak 152 spectrum 1 weight 0.10000E+01 volume 0.44668E-02 ppm1 8.050 ppm2 1.717 CV 1
ASSI { 153}
(( segid "SAP" and resid 197 and name HG ))
(( segid "SAP" and resid 198 and name HN ))
3.900 1.900 1.900 peak 153 spectrum 1 weight 0.10000E+01 volume 0.16984E-02 ppm1 8.048 ppm2 1.457 CV 1
ASSI { 154}
(( segid "SAP" and resid 197 and name HB2 ))
(( segid "SAP" and resid 198 and name HN ))
2.900 1.000 1.000 peak 154 spectrum 1 weight 0.10000E+01 volume 0.30062E-02 ppm1 8.049 ppm2 1.140 CV 1
ASSI { 155}
( segid "SAP" and resid 197 and name HD1%)
(( segid "SAP" and resid 198 and name HN ))
3.200 1.300 1.300 peak 155 spectrum 1 weight 0.10000E+01 volume 0.92280E-03 ppm1 8.048 ppm2 0.596 CV 1
ASSI { 156}
( segid "SAP" and resid 198 and name HG2%)
(( segid "SAP" and resid 199 and name HN ))
3.600 1.600 1.600 peak 156 spectrum 1 weight 0.10000E+01 volume 0.24627E-02 ppm1 8.012 ppm2 1.253 CV 1
ASSI { 157}
(( segid "SAP" and resid 200 and name HB1 ))
(( segid "SAP" and resid 200 and name HN ))
2.700 0.900 0.900 peak 157 spectrum 1 weight 0.10000E+01 volume 0.55312E-02 ppm1 8.474 ppm2 3.610 CV 1
ASSI { 158}
( segid "SAP" and resid 215 and name HB% )
(( segid "SAP" and resid 216 and name HN ))
3.800 1.800 1.800 peak 158 spectrum 1 weight 0.10000E+01 volume 0.13021E-02 ppm1 8.225 ppm2 1.354 CV 1
ASSI { 159}
(( segid "SAP" and resid 200 and name HB2 ))
(( segid "SAP" and resid 201 and name HN ))
4.000 2.000 2.000 peak 159 spectrum 1 weight 0.10000E+01 volume 0.28024E-02 ppm1 8.626 ppm2 3.264 CV 1
ASSI { 160}
(( segid "SAP" and resid 201 and name HG11))
(( segid "SAP" and resid 201 and name HN ))
2.500 0.800 0.800 peak 160 spectrum 1 weight 0.10000E+01 volume 0.48348E-02 ppm1 8.622 ppm2 2.209 CV 1
ASSI { 161}
(( segid "SAP" and resid 215 and name HA ))
(( segid "SAP" and resid 216 and name HN ))
3.000 1.100 1.100 peak 161 spectrum 1 weight 0.10000E+01 volume 0.40422E-02 ppm1 8.229 ppm2 4.271 CV 1
ASSI { 162}
(( segid "SAP" and resid 203 and name HB2 ))
(( segid "SAP" and resid 203 and name HN ))
2.700 0.900 0.900 peak 162 spectrum 1 weight 0.10000E+01 volume 0.53330E-02 ppm1 8.488 ppm2 3.987 CV 1
ASSI { 163}
(( segid "SAP" and resid 203 and name HB1 ))
(( segid "SAP" and resid 204 and name HN ))
2.800 1.000 1.000 peak 163 spectrum 1 weight 0.10000E+01 volume 0.36855E-02 ppm1 7.829 ppm2 4.258 CV 1
ASSI { 164}
(( segid "SAP" and resid 203 and name HB2 ))
(( segid "SAP" and resid 204 and name HN ))
3.100 1.200 1.200 peak 164 spectrum 1 weight 0.10000E+01 volume 0.42630E-02 ppm1 7.830 ppm2 3.988 CV 1
ASSI { 165}
(( segid "SAP" and resid 214 and name HB1 ))
(( segid "SAP" and resid 215 and name HN ))
4.200 2.200 1.800 peak 165 spectrum 1 weight 0.10000E+01 volume 0.63973E-03 ppm1 8.168 ppm2 1.789 CV 1
OR { 165}
(( segid "SAP" and resid 214 and name HB2 ))
(( segid "SAP" and resid 215 and name HN ))
ASSI { 166}
(( segid "SAP" and resid 214 and name HA ))
(( segid "SAP" and resid 215 and name HN ))
3.000 1.100 1.100 peak 166 spectrum 1 weight 0.10000E+01 volume 0.42007E-02 ppm1 8.169 ppm2 4.273 CV 1
OR { 166}
(( segid "SAP" and resid 215 and name HA ))
(( segid "SAP" and resid 215 and name HN ))
ASSI { 167}
(( segid "SAP" and resid 205 and name HA ))
(( segid "SAP" and resid 205 and name HN ))
2.700 0.900 0.900 peak 167 spectrum 1 weight 0.10000E+01 volume 0.67370E-02 ppm1 7.966 ppm2 3.976 CV 1
ASSI { 168}
(( segid "SAP" and resid 205 and name HD1 ))
(( segid "SAP" and resid 205 and name HN ))
4.000 2.000 2.000 peak 168 spectrum 1 weight 0.10000E+01 volume 0.18003E-02 ppm1 7.967 ppm2 3.132 CV 1
OR { 168}
(( segid "SAP" and resid 205 and name HD2 ))
(( segid "SAP" and resid 205 and name HN ))
ASSI { 169}
(( segid "SAP" and resid 205 and name HA ))
(( segid "SAP" and resid 206 and name HN ))
3.000 1.100 1.100 peak 169 spectrum 1 weight 0.10000E+01 volume 0.42064E-02 ppm1 7.773 ppm2 3.978 CV 1
ASSI { 170}
( segid "SAP" and resid 213 and name HD1%)
(( segid "SAP" and resid 214 and name HN ))
4.900 3.000 1.100 peak 170 spectrum 1 weight 0.10000E+01 volume 0.35214E-03 ppm1 8.174 ppm2 0.862 CV 1
ASSI { 171}
(( segid "SAP" and resid 208 and name HA ))
(( segid "SAP" and resid 208 and name HN ))
2.700 0.900 0.900 peak 171 spectrum 1 weight 0.10000E+01 volume 0.67936E-02 ppm1 8.145 ppm2 4.201 CV 1
ASSI { 172}
(( segid "SAP" and resid 208 and name HA ))
(( segid "SAP" and resid 209 and name HN ))
2.800 1.000 1.000 peak 172 spectrum 1 weight 0.10000E+01 volume 0.50782E-02 ppm1 8.335 ppm2 4.186 CV 1
ASSI { 173}
(( segid "SAP" and resid 209 and name HB1 ))
(( segid "SAP" and resid 209 and name HN ))
3.300 1.300 1.300 peak 173 spectrum 1 weight 0.10000E+01 volume 0.20777E-02 ppm1 8.336 ppm2 2.864 CV 1
ASSI { 174}
(( segid "SAP" and resid 214 and name HG1 ))
(( segid "SAP" and resid 214 and name HN ))
3.500 1.500 1.500 peak 174 spectrum 1 weight 0.10000E+01 volume 0.20664E-02 ppm1 8.170 ppm2 1.398 CV 1
OR { 174}
(( segid "SAP" and resid 214 and name HG2 ))
(( segid "SAP" and resid 214 and name HN ))
ASSI { 175}
(( segid "SAP" and resid 213 and name HB1 ))
(( segid "SAP" and resid 214 and name HN ))
3.500 1.600 1.600 peak 175 spectrum 1 weight 0.10000E+01 volume 0.20834E-02 ppm1 8.171 ppm2 1.586 CV 1
OR { 175}
(( segid "SAP" and resid 213 and name HB2 ))
(( segid "SAP" and resid 214 and name HN ))
ASSI { 176}
(( segid "SAP" and resid 210 and name HB1 ))
(( segid "SAP" and resid 210 and name HN ))
3.400 1.400 1.400 peak 176 spectrum 1 weight 0.10000E+01 volume 0.21230E-02 ppm1 8.057 ppm2 1.854 CV 1
ASSI { 177}
(( segid "SAP" and resid 210 and name HA ))
(( segid "SAP" and resid 211 and name HN ))
3.500 1.500 1.500 peak 177 spectrum 1 weight 0.10000E+01 volume 0.14606E-02 ppm1 8.221 ppm2 4.274 CV 1
ASSI { 178}
(( segid "SAP" and resid 217 and name HA ))
(( segid "SAP" and resid 217 and name HN ))
3.600 1.700 1.700 peak 178 spectrum 1 weight 0.10000E+01 volume 0.12512E-02 ppm1 8.216 ppm2 4.400 CV 1
OR { 178}
(( segid "SAP" and resid 211 and name HA ))
(( segid "SAP" and resid 211 and name HN ))
ASSI { 179}
(( segid "SAP" and resid 214 and name HB1 ))
(( segid "SAP" and resid 214 and name HN ))
3.400 1.500 1.500 peak 179 spectrum 1 weight 0.10000E+01 volume 0.26835E-02 ppm1 8.169 ppm2 1.836 CV 1
ASSI { 180}
(( segid "SAP" and resid 214 and name HB2 ))
(( segid "SAP" and resid 214 and name HN ))
2.800 1.000 1.000 peak 180 spectrum 1 weight 0.10000E+01 volume 0.49594E-02 ppm1 8.170 ppm2 1.749 CV 1
ASSI { 181}
(( segid "SAP" and resid 213 and name HA ))
(( segid "SAP" and resid 214 and name HN ))
2.500 0.800 0.800 peak 181 spectrum 1 weight 0.10000E+01 volume 0.11776E-01 ppm1 8.167 ppm2 4.265 CV 1
OR { 181}
(( segid "SAP" and resid 214 and name HA ))
(( segid "SAP" and resid 214 and name HN ))
ASSI { 182}
( segid "SAP" and resid 213 and name HD1%)
(( segid "SAP" and resid 213 and name HN ))
4.000 2.000 2.000 peak 182 spectrum 1 weight 0.10000E+01 volume 0.13587E-02 ppm1 7.989 ppm2 0.851 CV 1
OR { 182}
( segid "SAP" and resid 213 and name HD2%)
(( segid "SAP" and resid 213 and name HN ))
ASSI { 183}
(( segid "SAP" and resid 213 and name HB2 ))
(( segid "SAP" and resid 213 and name HN ))
2.400 0.700 0.700 peak 183 spectrum 1 weight 0.10000E+01 volume 0.16248E-01 ppm1 7.990 ppm2 1.594 CV 1
OR { 183}
(( segid "SAP" and resid 213 and name HB1 ))
(( segid "SAP" and resid 213 and name HN ))
ASSI { 184}
(( segid "SAP" and resid 212 and name HB2 ))
(( segid "SAP" and resid 213 and name HN ))
3.600 1.600 1.600 peak 184 spectrum 1 weight 0.10000E+01 volume 0.17890E-02 ppm1 7.987 ppm2 2.596 CV 1
ASSI { 185}
( segid "SAP" and resid 219 and name HG2%)
(( segid "SAP" and resid 219 and name HN ))
4.000 2.000 2.000 peak 185 spectrum 1 weight 0.10000E+01 volume 0.88317E-03 ppm1 7.779 ppm2 0.842 CV 1
OR { 185}
( segid "SAP" and resid 219 and name HG1%)
(( segid "SAP" and resid 219 and name HN ))
ASSI { 186}
(( segid "SAP" and resid 212 and name HB1 ))
(( segid "SAP" and resid 213 and name HN ))
3.800 1.800 1.800 peak 186 spectrum 1 weight 0.10000E+01 volume 0.12625E-02 ppm1 7.990 ppm2 2.704 CV 1
ASSI { 187}
(( segid "SAP" and resid 219 and name HB ))
(( segid "SAP" and resid 220 and name HN ))
4.600 2.600 1.400 peak 187 spectrum 1 weight 0.10000E+01 volume 0.49594E-03 ppm1 7.959 ppm2 1.983 CV 1
ASSI { 188}
( segid "SAP" and resid 219 and name HG1%)
(( segid "SAP" and resid 220 and name HN ))
4.500 2.500 1.500 peak 188 spectrum 1 weight 0.10000E+01 volume 0.53840E-03 ppm1 7.959 ppm2 0.853 CV 1
OR { 188}
( segid "SAP" and resid 219 and name HG2%)
(( segid "SAP" and resid 220 and name HN ))
ASSI { 189}
(( segid "SAP" and resid 211 and name HB2 ))
(( segid "SAP" and resid 213 and name HN ))
4.500 2.600 1.500 peak 189 spectrum 1 weight 0.10000E+01 volume 0.49084E-03 ppm1 7.994 ppm2 3.851 CV 1
OR { 189}
(( segid "SAP" and resid 211 and name HB1 ))
(( segid "SAP" and resid 213 and name HN ))
ASSI { 190}
( segid "SAP" and resid 178 and name HD1%)
(( segid "SAP" and resid 158 and name HN ))
3.900 1.900 1.900 peak 190 spectrum 1 weight 0.10000E+01 volume 0.23438E-02 ppm1 7.719 ppm2 0.792 CV 1
ASSI { 191}
(( segid "SAP" and resid 213 and name HA ))
(( segid "SAP" and resid 213 and name HN ))
2.800 1.000 1.000 peak 191 spectrum 1 weight 0.10000E+01 volume 0.54859E-02 ppm1 7.988 ppm2 4.263 CV 1
ASSI { 192}
(( segid "SAP" and resid 211 and name HA ))
(( segid "SAP" and resid 213 and name HN ))
4.200 2.300 1.800 peak 192 spectrum 1 weight 0.10000E+01 volume 0.93979E-03 ppm1 7.986 ppm2 4.406 CV 1
ASSI { 193}
(( segid "SAP" and resid 212 and name HN ))
(( segid "SAP" and resid 213 and name HN ))
3.300 1.300 1.300 peak 193 spectrum 1 weight 0.10000E+01 volume 0.25193E-02 ppm1 7.990 ppm2 8.292 CV 1
ASSI { 194}
(( segid "SAP" and resid 211 and name HB1 ))
(( segid "SAP" and resid 212 and name HN ))
4.300 2.300 1.700 peak 194 spectrum 1 weight 0.10000E+01 volume 0.88883E-03 ppm1 8.292 ppm2 3.850 CV 1
OR { 194}
(( segid "SAP" and resid 211 and name HB2 ))
(( segid "SAP" and resid 212 and name HN ))
ASSI { 195}
(( segid "SAP" and resid 211 and name HA ))
(( segid "SAP" and resid 212 and name HN ))
2.900 1.100 1.100 peak 195 spectrum 1 weight 0.10000E+01 volume 0.44159E-02 ppm1 8.290 ppm2 4.390 CV 1
ASSI { 196}
(( segid "SAP" and resid 189 and name HG12))
(( segid "SAP" and resid 189 and name HN ))
3.800 1.800 1.800 peak 196 spectrum 1 weight 0.10000E+01 volume 0.35327E-02 ppm1 7.133 ppm2 0.435 CV 1
ASSI { 197}
(( segid "SAP" and resid 136 and name HA2 ))
(( segid "SAP" and resid 137 and name HN ))
2.700 0.900 0.900 peak 197 spectrum 1 weight 0.10000E+01 volume 0.80391E-02 ppm1 8.229 ppm2 3.931 CV 1
OR { 197}
(( segid "SAP" and resid 136 and name HA1 ))
(( segid "SAP" and resid 137 and name HN ))
ASSI { 198}
(( segid "SAP" and resid 138 and name HB2 ))
(( segid "SAP" and resid 138 and name HN ))
2.900 1.000 1.000 peak 198 spectrum 1 weight 0.10000E+01 volume 0.62841E-02 ppm1 8.174 ppm2 3.790 CV 1
OR { 198}
(( segid "SAP" and resid 139 and name HD1 ))
(( segid "SAP" and resid 138 and name HN ))
ASSI { 200}
(( segid "SAP" and resid 140 and name HA ))
(( segid "SAP" and resid 140 and name HN ))
2.900 1.000 1.000 peak 200 spectrum 1 weight 0.10000E+01 volume 0.49707E-02 ppm1 8.139 ppm2 4.048 CV 1
ASSI { 201}
(( segid "SAP" and resid 139 and name HD2 ))
(( segid "SAP" and resid 140 and name HN ))
4.100 2.100 1.900 peak 201 spectrum 1 weight 0.10000E+01 volume 0.78127E-03 ppm1 8.137 ppm2 3.679 CV 1
ASSI { 202}
(( segid "SAP" and resid 139 and name HB1 ))
(( segid "SAP" and resid 140 and name HN ))
4.200 2.200 1.800 peak 202 spectrum 1 weight 0.10000E+01 volume 0.13870E-02 ppm1 8.134 ppm2 2.273 CV 1
ASSI { 203}
(( segid "SAP" and resid 140 and name HB ))
(( segid "SAP" and resid 140 and name HN ))
2.700 0.900 0.900 peak 203 spectrum 1 weight 0.10000E+01 volume 0.82090E-02 ppm1 8.140 ppm2 2.028 CV 1
ASSI { 204}
(( segid "SAP" and resid 139 and name HB2 ))
(( segid "SAP" and resid 140 and name HN ))
2.700 0.900 0.900 peak 204 spectrum 1 weight 0.10000E+01 volume 0.50726E-02 ppm1 8.140 ppm2 1.882 CV 1
ASSI { 205}
( segid "SAP" and resid 140 and name HG2%)
(( segid "SAP" and resid 140 and name HN ))
2.800 1.000 1.000 peak 205 spectrum 1 weight 0.10000E+01 volume 0.68502E-02 ppm1 8.139 ppm2 0.929 CV 1
OR { 205}
( segid "SAP" and resid 140 and name HG1%)
(( segid "SAP" and resid 140 and name HN ))
ASSI { 206}
(( segid "SAP" and resid 141 and name HA ))
(( segid "SAP" and resid 141 and name HN ))
2.800 1.000 1.000 peak 206 spectrum 1 weight 0.10000E+01 volume 0.49537E-02 ppm1 8.338 ppm2 4.369 CV 1
ASSI { 207}
(( segid "SAP" and resid 140 and name HA ))
(( segid "SAP" and resid 141 and name HN ))
2.300 0.700 0.700 peak 207 spectrum 1 weight 0.10000E+01 volume 0.18343E-01 ppm1 8.340 ppm2 4.054 CV 1
ASSI { 208}
(( segid "SAP" and resid 141 and name HG1 ))
(( segid "SAP" and resid 141 and name HN ))
3.400 1.500 1.500 peak 208 spectrum 1 weight 0.10000E+01 volume 0.27231E-02 ppm1 8.339 ppm2 2.320 CV 1
OR { 208}
(( segid "SAP" and resid 141 and name HG2 ))
(( segid "SAP" and resid 141 and name HN ))
ASSI { 209}
(( segid "SAP" and resid 141 and name HB1 ))
(( segid "SAP" and resid 141 and name HN ))
3.200 1.300 1.300 peak 209 spectrum 1 weight 0.10000E+01 volume 0.39120E-02 ppm1 8.340 ppm2 2.066 CV 1
OR { 209}
(( segid "SAP" and resid 140 and name HB ))
(( segid "SAP" and resid 141 and name HN ))
ASSI { 210}
(( segid "SAP" and resid 141 and name HB2 ))
(( segid "SAP" and resid 141 and name HN ))
2.700 0.900 0.900 peak 210 spectrum 1 weight 0.10000E+01 volume 0.79825E-02 ppm1 8.339 ppm2 1.925 CV 1
ASSI { 211}
(( segid "SAP" and resid 143 and name HN ))
(( segid "SAP" and resid 142 and name HN ))
3.200 1.300 1.300 peak 211 spectrum 1 weight 0.10000E+01 volume 0.22759E-02 ppm1 8.351 ppm2 8.020 CV 1
ASSI { 212}
(( segid "SAP" and resid 141 and name HA ))
(( segid "SAP" and resid 142 and name HN ))
2.300 0.600 0.600 peak 212 spectrum 1 weight 0.10000E+01 volume 0.16531E-01 ppm1 8.351 ppm2 4.365 CV 1
ASSI { 213}
(( segid "SAP" and resid 141 and name HG1 ))
(( segid "SAP" and resid 142 and name HN ))
4.600 2.600 1.400 peak 213 spectrum 1 weight 0.10000E+01 volume 0.65672E-03 ppm1 8.348 ppm2 2.321 CV 1
OR { 213}
(( segid "SAP" and resid 141 and name HG2 ))
(( segid "SAP" and resid 142 and name HN ))
ASSI { 214}
(( segid "SAP" and resid 141 and name HB1 ))
(( segid "SAP" and resid 142 and name HN ))
4.000 2.000 2.000 peak 214 spectrum 1 weight 0.10000E+01 volume 0.14097E-02 ppm1 8.346 ppm2 2.062 CV 1
ASSI { 215}
(( segid "SAP" and resid 141 and name HB2 ))
(( segid "SAP" and resid 142 and name HN ))
4.400 2.500 1.600 peak 215 spectrum 1 weight 0.10000E+01 volume 0.10643E-02 ppm1 8.348 ppm2 1.922 CV 1
ASSI { 216}
( segid "SAP" and resid 140 and name HG2%)
(( segid "SAP" and resid 142 and name HN ))
3.800 1.800 1.800 peak 216 spectrum 1 weight 0.10000E+01 volume 0.86053E-03 ppm1 8.343 ppm2 0.906 CV 1
OR { 216}
( segid "SAP" and resid 140 and name HG1%)
(( segid "SAP" and resid 142 and name HN ))
OR { 216}
( segid "SAP" and resid 143 and name HG2%)
(( segid "SAP" and resid 142 and name HN ))
ASSI { 217}
(( segid "SAP" and resid 143 and name HA ))
(( segid "SAP" and resid 143 and name HN ))
2.700 0.900 0.900 peak 217 spectrum 1 weight 0.10000E+01 volume 0.57180E-02 ppm1 8.023 ppm2 4.204 CV 1
ASSI { 219}
(( segid "SAP" and resid 143 and name HB ))
(( segid "SAP" and resid 143 and name HN ))
2.800 1.000 1.000 peak 219 spectrum 1 weight 0.10000E+01 volume 0.94545E-02 ppm1 8.024 ppm2 1.872 CV 1
ASSI { 220}
(( segid "SAP" and resid 143 and name HG11))
(( segid "SAP" and resid 143 and name HN ))
3.100 1.200 1.200 peak 220 spectrum 1 weight 0.10000E+01 volume 0.37478E-02 ppm1 8.025 ppm2 1.417 CV 1
ASSI { 221}
(( segid "SAP" and resid 143 and name HG12))
(( segid "SAP" and resid 143 and name HN ))
2.500 0.800 0.800 peak 221 spectrum 1 weight 0.10000E+01 volume 0.79259E-02 ppm1 8.025 ppm2 1.151 CV 1
ASSI { 222}
(( segid "SAP" and resid 142 and name HN ))
(( segid "SAP" and resid 143 and name HN ))
2.700 0.900 0.900 peak 222 spectrum 1 weight 0.10000E+01 volume 0.82090E-02 ppm1 8.024 ppm2 8.331 CV 1
OR { 222}
(( segid "SAP" and resid 144 and name HN ))
(( segid "SAP" and resid 143 and name HN ))
ASSI { 223}
( segid "SAP" and resid 143 and name HD1%)
(( segid "SAP" and resid 143 and name HN ))
3.100 1.200 1.200 peak 223 spectrum 1 weight 0.10000E+01 volume 0.56217E-02 ppm1 8.024 ppm2 0.885 CV 1
OR { 223}
( segid "SAP" and resid 143 and name HG2%)
(( segid "SAP" and resid 143 and name HN ))
ASSI { 224}
(( segid "SAP" and resid 207 and name HA ))
(( segid "SAP" and resid 208 and name HN ))
2.100 0.600 0.600 peak 224 spectrum 1 weight 0.10000E+01 volume 0.30288E-01 ppm1 8.141 ppm2 4.463 CV 1
OR { 224}
(( segid "SAP" and resid 139 and name HA ))
(( segid "SAP" and resid 140 and name HN ))
ASSI { 225}
(( segid "SAP" and resid 194 and name HA ))
(( segid "SAP" and resid 196 and name HN ))
4.100 2.100 1.900 peak 225 spectrum 1 weight 0.10000E+01 volume 0.10134E-02 ppm1 8.173 ppm2 3.947 CV 1
OR { 225}
(( segid "SAP" and resid 136 and name HA2 ))
(( segid "SAP" and resid 138 and name HN ))
OR { 225}
(( segid "SAP" and resid 136 and name HA1 ))
(( segid "SAP" and resid 138 and name HN ))
ASSI { 226}
(( segid "SAP" and resid 145 and name HN ))
(( segid "SAP" and resid 144 and name HN ))
2.500 0.800 0.800 peak 226 spectrum 1 weight 0.10000E+01 volume 0.93979E-02 ppm1 8.319 ppm2 8.045 CV 1
ASSI { 227}
(( segid "SAP" and resid 143 and name HA ))
(( segid "SAP" and resid 144 and name HN ))
2.100 0.600 0.600 peak 227 spectrum 1 weight 0.10000E+01 volume 0.22136E-01 ppm1 8.319 ppm2 4.202 CV 1
ASSI { 228}
(( segid "SAP" and resid 143 and name HB ))
(( segid "SAP" and resid 144 and name HN ))
2.800 1.000 1.000 peak 228 spectrum 1 weight 0.10000E+01 volume 0.79259E-02 ppm1 8.319 ppm2 1.882 CV 1
ASSI { 229}
(( segid "SAP" and resid 143 and name HG11))
(( segid "SAP" and resid 144 and name HN ))
4.300 2.300 1.700 peak 229 spectrum 1 weight 0.10000E+01 volume 0.95111E-03 ppm1 8.318 ppm2 1.418 CV 1
ASSI { 230}
(( segid "SAP" and resid 143 and name HG12))
(( segid "SAP" and resid 144 and name HN ))
4.400 2.400 1.600 peak 230 spectrum 1 weight 0.10000E+01 volume 0.10474E-02 ppm1 8.317 ppm2 1.170 CV 1
ASSI { 232}
(( segid "SAP" and resid 145 and name HB ))
(( segid "SAP" and resid 145 and name HN ))
2.500 0.800 0.800 peak 232 spectrum 1 weight 0.10000E+01 volume 0.10813E-01 ppm1 8.082 ppm2 4.085 CV 1
ASSI { 233}
( segid "SAP" and resid 182 and name HG1%)
(( segid "SAP" and resid 182 and name HN ))
3.200 1.300 1.300 peak 233 spectrum 1 weight 0.10000E+01 volume 0.89450E-02 ppm1 8.567 ppm2 0.756 CV 1
ASSI { 234}
(( segid "SAP" and resid 210 and name HB2 ))
(( segid "SAP" and resid 210 and name HN ))
3.100 1.200 1.200 peak 234 spectrum 1 weight 0.10000E+01 volume 0.37648E-02 ppm1 8.057 ppm2 1.729 CV 1
ASSI { 236}
(( segid "SAP" and resid 143 and name HB ))
(( segid "SAP" and resid 145 and name HN ))
4.100 2.100 1.900 peak 236 spectrum 1 weight 0.10000E+01 volume 0.90582E-03 ppm1 8.084 ppm2 1.891 CV 1
OR { 236}
(( segid "SAP" and resid 146 and name HG1 ))
(( segid "SAP" and resid 145 and name HN ))
OR { 236}
(( segid "SAP" and resid 146 and name HG2 ))
(( segid "SAP" and resid 145 and name HN ))
ASSI { 237}
(( segid "SAP" and resid 143 and name HG11))
(( segid "SAP" and resid 145 and name HN ))
4.600 2.600 1.400 peak 237 spectrum 1 weight 0.10000E+01 volume 0.61143E-03 ppm1 8.079 ppm2 1.409 CV 1
ASSI { 238}
( segid "SAP" and resid 145 and name HG2%)
(( segid "SAP" and resid 145 and name HN ))
3.500 1.500 1.500 peak 238 spectrum 1 weight 0.10000E+01 volume 0.39856E-02 ppm1 8.081 ppm2 1.222 CV 1
ASSI { 239}
( segid "SAP" and resid 143 and name HG2%)
(( segid "SAP" and resid 145 and name HN ))
4.000 2.000 2.000 peak 239 spectrum 1 weight 0.10000E+01 volume 0.13927E-02 ppm1 8.081 ppm2 0.892 CV 1
ASSI { 240}
(( segid "SAP" and resid 146 and name HD1 ))
(( segid "SAP" and resid 145 and name HN ))
3.300 1.400 1.400 peak 240 spectrum 1 weight 0.10000E+01 volume 0.18060E-02 ppm1 8.083 ppm2 3.801 CV 1
ASSI { 241}
(( segid "SAP" and resid 146 and name HD2 ))
(( segid "SAP" and resid 145 and name HN ))
4.000 2.000 2.000 peak 241 spectrum 1 weight 0.10000E+01 volume 0.15739E-02 ppm1 8.082 ppm2 3.689 CV 1
ASSI { 244}
(( segid "SAP" and resid 146 and name HA ))
(( segid "SAP" and resid 147 and name HN ))
1.900 0.500 0.500 peak 244 spectrum 1 weight 0.10000E+01 volume 0.33968E-01 ppm1 7.754 ppm2 4.274 CV 1
ASSI { 245}
(( segid "SAP" and resid 146 and name HD2 ))
(( segid "SAP" and resid 147 and name HN ))
4.700 2.800 1.300 peak 245 spectrum 1 weight 0.10000E+01 volume 0.49877E-03 ppm1 7.752 ppm2 3.682 CV 1
ASSI { 246}
(( segid "SAP" and resid 146 and name HD1 ))
(( segid "SAP" and resid 147 and name HN ))
3.500 3.500 2.500 peak 246 spectrum 1 weight 0.10000E+01 volume 0.57180E-03 ppm1 7.758 ppm2 3.798 CV 1
ASSI { 247}
(( segid "SAP" and resid 147 and name HG2 ))
(( segid "SAP" and resid 147 and name HN ))
2.400 0.700 0.700 peak 247 spectrum 1 weight 0.10000E+01 volume 0.86053E-02 ppm1 7.755 ppm2 2.204 CV 1
OR { 247}
(( segid "SAP" and resid 147 and name HG1 ))
(( segid "SAP" and resid 147 and name HN ))
ASSI { 248}
(( segid "SAP" and resid 147 and name HB2 ))
(( segid "SAP" and resid 147 and name HN ))
2.500 0.800 0.800 peak 248 spectrum 1 weight 0.10000E+01 volume 0.17607E-01 ppm1 7.753 ppm2 1.750 CV 1
OR { 248}
(( segid "SAP" and resid 146 and name HB1 ))
(( segid "SAP" and resid 147 and name HN ))
ASSI { 249}
( segid "SAP" and resid 145 and name HG2%)
(( segid "SAP" and resid 147 and name HN ))
4.300 2.300 1.700 peak 249 spectrum 1 weight 0.10000E+01 volume 0.56104E-03 ppm1 7.750 ppm2 1.221 CV 1
ASSI { 250}
(( segid "SAP" and resid 146 and name HB2 ))
(( segid "SAP" and resid 147 and name HN ))
2.900 1.000 1.000 peak 250 spectrum 1 weight 0.10000E+01 volume 0.59444E-02 ppm1 7.754 ppm2 1.044 CV 1
ASSI { 252}
(( segid "SAP" and resid 147 and name HN ))
(( segid "SAP" and resid 148 and name HN ))
3.900 1.900 1.900 peak 252 spectrum 1 weight 0.10000E+01 volume 0.18230E-02 ppm1 8.590 ppm2 7.755 CV 1
ASSI { 253}
(( segid "SAP" and resid 209 and name HB2 ))
(( segid "SAP" and resid 210 and name HN ))
4.500 2.600 1.500 peak 253 spectrum 1 weight 0.10000E+01 volume 0.70201E-03 ppm1 8.058 ppm2 2.688 CV 1
ASSI { 254}
(( segid "SAP" and resid 210 and name HA ))
(( segid "SAP" and resid 210 and name HN ))
3.100 1.200 1.200 peak 254 spectrum 1 weight 0.10000E+01 volume 0.28873E-02 ppm1 8.056 ppm2 4.277 CV 1
ASSI { 255}
(( segid "SAP" and resid 147 and name HA ))
(( segid "SAP" and resid 148 and name HN ))
2.300 0.600 0.600 peak 255 spectrum 1 weight 0.10000E+01 volume 0.15739E-01 ppm1 8.590 ppm2 4.536 CV 1
ASSI { 256}
(( segid "SAP" and resid 148 and name HA ))
(( segid "SAP" and resid 148 and name HN ))
2.900 1.000 1.000 peak 256 spectrum 1 weight 0.10000E+01 volume 0.40422E-02 ppm1 8.593 ppm2 3.898 CV 1
ASSI { 257}
(( segid "SAP" and resid 209 and name HN ))
(( segid "SAP" and resid 210 and name HN ))
3.600 1.600 1.600 peak 257 spectrum 1 weight 0.10000E+01 volume 0.14323E-02 ppm1 8.053 ppm2 8.324 CV 1
ASSI { 258}
(( segid "SAP" and resid 147 and name HG1 ))
(( segid "SAP" and resid 148 and name HN ))
3.600 1.600 1.600 peak 258 spectrum 1 weight 0.10000E+01 volume 0.35836E-02 ppm1 8.592 ppm2 2.202 CV 1
OR { 258}
(( segid "SAP" and resid 147 and name HG2 ))
(( segid "SAP" and resid 148 and name HN ))
ASSI { 259}
(( segid "SAP" and resid 147 and name HB1 ))
(( segid "SAP" and resid 148 and name HN ))
3.500 1.500 1.500 peak 259 spectrum 1 weight 0.10000E+01 volume 0.68502E-02 ppm1 8.590 ppm2 1.968 CV 1
ASSI { 260}
( segid "SAP" and resid 148 and name HG1%)
(( segid "SAP" and resid 148 and name HN ))
2.600 0.800 0.800 peak 260 spectrum 1 weight 0.10000E+01 volume 0.87751E-02 ppm1 8.590 ppm2 0.972 CV 1
ASSI { 261}
( segid "SAP" and resid 148 and name HG2%)
(( segid "SAP" and resid 148 and name HN ))
3.500 1.500 1.500 peak 261 spectrum 1 weight 0.10000E+01 volume 0.35723E-02 ppm1 8.592 ppm2 0.661 CV 1
ASSI { 262}
(( segid "SAP" and resid 148 and name HB ))
(( segid "SAP" and resid 148 and name HN ))
2.400 0.700 0.700 peak 262 spectrum 1 weight 0.10000E+01 volume 0.12512E-01 ppm1 8.590 ppm2 1.813 CV 1
ASSI { 263}
(( segid "SAP" and resid 148 and name HN ))
(( segid "SAP" and resid 149 and name HN ))
4.600 2.600 1.400 peak 263 spectrum 1 weight 0.10000E+01 volume 0.78693E-03 ppm1 9.134 ppm2 8.590 CV 1
ASSI { 265}
( segid "SAP" and resid 186 and name HE% )
(( segid "SAP" and resid 149 and name HN ))
5.200 3.400 0.800 peak 265 spectrum 1 weight 0.10000E+01 volume 0.35553E-03 ppm1 9.126 ppm2 7.129 CV 1
OR { 265}
(( segid "SAP" and resid 152 and name HN ))
(( segid "SAP" and resid 149 and name HN ))
ASSI { 266}
(( segid "SAP" and resid 148 and name HA ))
(( segid "SAP" and resid 149 and name HN ))
2.200 0.600 0.600 peak 266 spectrum 1 weight 0.10000E+01 volume 0.16531E-01 ppm1 9.135 ppm2 3.900 CV 1
ASSI { 268}
(( segid "SAP" and resid 149 and name HB1 ))
(( segid "SAP" and resid 149 and name HN ))
3.200 1.300 1.300 peak 268 spectrum 1 weight 0.10000E+01 volume 0.53670E-02 ppm1 9.132 ppm2 2.891 CV 1
ASSI { 269}
(( segid "SAP" and resid 149 and name HB2 ))
(( segid "SAP" and resid 149 and name HN ))
2.600 0.900 0.900 peak 269 spectrum 1 weight 0.10000E+01 volume 0.59444E-02 ppm1 9.134 ppm2 2.497 CV 1
ASSI { 270}
(( segid "SAP" and resid 152 and name HG2 ))
(( segid "SAP" and resid 149 and name HN ))
4.000 2.000 2.000 peak 270 spectrum 1 weight 0.10000E+01 volume 0.10021E-02 ppm1 9.132 ppm2 2.336 CV 1
OR { 270}
(( segid "SAP" and resid 152 and name HG1 ))
(( segid "SAP" and resid 149 and name HN ))
ASSI { 271}
(( segid "SAP" and resid 147 and name HG1 ))
(( segid "SAP" and resid 149 and name HN ))
4.500 2.600 1.500 peak 271 spectrum 1 weight 0.10000E+01 volume 0.51462E-03 ppm1 9.134 ppm2 2.197 CV 1
OR { 271}
(( segid "SAP" and resid 147 and name HG2 ))
(( segid "SAP" and resid 149 and name HN ))
ASSI { 272}
(( segid "SAP" and resid 147 and name HB1 ))
(( segid "SAP" and resid 149 and name HN ))
4.100 2.100 1.900 peak 272 spectrum 1 weight 0.10000E+01 volume 0.16191E-02 ppm1 9.135 ppm2 1.964 CV 1
OR { 272}
(( segid "SAP" and resid 152 and name HB2 ))
(( segid "SAP" and resid 149 and name HN ))
ASSI { 273}
(( segid "SAP" and resid 148 and name HB ))
(( segid "SAP" and resid 149 and name HN ))
3.900 1.900 1.900 peak 273 spectrum 1 weight 0.10000E+01 volume 0.18682E-02 ppm1 9.132 ppm2 1.807 CV 1
ASSI { 274}
( segid "SAP" and resid 148 and name HG1%)
(( segid "SAP" and resid 149 and name HN ))
3.500 1.600 1.600 peak 274 spectrum 1 weight 0.10000E+01 volume 0.21740E-02 ppm1 9.133 ppm2 0.970 CV 1
ASSI { 275}
( segid "SAP" and resid 148 and name HG2%)
(( segid "SAP" and resid 149 and name HN ))
2.900 1.000 1.000 peak 275 spectrum 1 weight 0.10000E+01 volume 0.50103E-02 ppm1 9.133 ppm2 0.677 CV 1
ASSI { 276}
(( segid "SAP" and resid 149 and name HN ))
(( segid "SAP" and resid 150 and name HN ))
4.400 2.400 1.600 peak 276 spectrum 1 weight 0.10000E+01 volume 0.58878E-03 ppm1 8.378 ppm2 9.142 CV 1
ASSI { 278}
(( segid "SAP" and resid 149 and name HA ))
(( segid "SAP" and resid 150 and name HN ))
2.300 0.700 0.700 peak 278 spectrum 1 weight 0.10000E+01 volume 0.13757E-01 ppm1 8.371 ppm2 4.862 CV 1
ASSI { 279}
(( segid "SAP" and resid 151 and name HB1 ))
(( segid "SAP" and resid 150 and name HN ))
5.200 3.400 0.800 peak 279 spectrum 1 weight 0.10000E+01 volume 0.63973E-03 ppm1 8.375 ppm2 3.204 CV 1
ASSI { 280}
(( segid "SAP" and resid 149 and name HB1 ))
(( segid "SAP" and resid 150 and name HN ))
4.600 2.600 1.400 peak 280 spectrum 1 weight 0.10000E+01 volume 0.51462E-03 ppm1 8.372 ppm2 2.894 CV 1
ASSI { 281}
(( segid "SAP" and resid 149 and name HB2 ))
(( segid "SAP" and resid 150 and name HN ))
4.000 2.000 2.000 peak 281 spectrum 1 weight 0.10000E+01 volume 0.17550E-02 ppm1 8.374 ppm2 2.496 CV 1
ASSI { 282}
( segid "SAP" and resid 148 and name HG2%)
(( segid "SAP" and resid 150 and name HN ))
3.400 1.500 1.500 peak 282 spectrum 1 weight 0.10000E+01 volume 0.26835E-02 ppm1 8.371 ppm2 0.673 CV 1
OR { 282}
( segid "SAP" and resid 158 and name HD2%)
(( segid "SAP" and resid 150 and name HN ))
ASSI { 283}
(( segid "SAP" and resid 150 and name HN ))
(( segid "SAP" and resid 151 and name HN ))
2.500 0.800 0.800 peak 283 spectrum 1 weight 0.10000E+01 volume 0.70767E-02 ppm1 7.989 ppm2 8.373 CV 1
ASSI { 284}
(( segid "SAP" and resid 152 and name HN ))
(( segid "SAP" and resid 151 and name HN ))
2.400 0.700 0.700 peak 284 spectrum 1 weight 0.10000E+01 volume 0.11493E-01 ppm1 7.989 ppm2 7.104 CV 1
OR { 284}
( segid "SAP" and resid 151 and name HD% )
(( segid "SAP" and resid 151 and name HN ))
ASSI { 285}
(( segid "SAP" and resid 149 and name HA ))
(( segid "SAP" and resid 151 and name HN ))
3.500 1.500 1.500 peak 285 spectrum 1 weight 0.10000E+01 volume 0.29949E-02 ppm1 7.986 ppm2 4.874 CV 1
ASSI { 286}
(( segid "SAP" and resid 151 and name HA ))
(( segid "SAP" and resid 151 and name HN ))
2.600 0.800 0.800 peak 286 spectrum 1 weight 0.10000E+01 volume 0.81524E-02 ppm1 7.988 ppm2 3.820 CV 1
OR { 286}
(( segid "SAP" and resid 150 and name HA ))
(( segid "SAP" and resid 151 and name HN ))
ASSI { 287}
(( segid "SAP" and resid 152 and name HA ))
(( segid "SAP" and resid 151 and name HN ))
4.500 2.600 1.500 peak 287 spectrum 1 weight 0.10000E+01 volume 0.97942E-03 ppm1 7.996 ppm2 4.100 CV 1
ASSI { 288}
(( segid "SAP" and resid 149 and name HB2 ))
(( segid "SAP" and resid 151 and name HN ))
4.900 3.000 1.100 peak 288 spectrum 1 weight 0.10000E+01 volume 0.44725E-03 ppm1 7.986 ppm2 2.506 CV 1
ASSI { 289}
(( segid "SAP" and resid 152 and name HG2 ))
(( segid "SAP" and resid 151 and name HN ))
4.200 2.200 1.800 peak 289 spectrum 1 weight 0.10000E+01 volume 0.11662E-02 ppm1 7.992 ppm2 2.324 CV 1
OR { 289}
(( segid "SAP" and resid 152 and name HG1 ))
(( segid "SAP" and resid 151 and name HN ))
ASSI { 290}
(( segid "SAP" and resid 150 and name HB1 ))
(( segid "SAP" and resid 151 and name HN ))
3.700 1.700 1.700 peak 290 spectrum 1 weight 0.10000E+01 volume 0.23155E-02 ppm1 7.991 ppm2 1.481 CV 1
ASSI { 291}
(( segid "SAP" and resid 150 and name HB2 ))
(( segid "SAP" and resid 151 and name HN ))
3.400 1.500 1.500 peak 291 spectrum 1 weight 0.10000E+01 volume 0.15116E-02 ppm1 7.990 ppm2 1.090 CV 1
ASSI { 292}
( segid "SAP" and resid 179 and name HG2%)
(( segid "SAP" and resid 151 and name HN ))
3.500 1.600 1.600 peak 292 spectrum 1 weight 0.10000E+01 volume 0.29099E-02 ppm1 7.988 ppm2 0.458 CV 1
OR { 292}
( segid "SAP" and resid 150 and name HD1%)
(( segid "SAP" and resid 151 and name HN ))
ASSI { 293}
( segid "SAP" and resid 179 and name HG1%)
(( segid "SAP" and resid 151 and name HN ))
3.400 1.500 1.500 peak 293 spectrum 1 weight 0.10000E+01 volume 0.19305E-02 ppm1 7.989 ppm2 0.592 CV 1
ASSI { 294}
( segid "SAP" and resid 148 and name HG2%)
(( segid "SAP" and resid 151 and name HN ))
4.200 2.200 1.800 peak 294 spectrum 1 weight 0.10000E+01 volume 0.11493E-02 ppm1 7.993 ppm2 0.704 CV 1
OR { 294}
( segid "SAP" and resid 158 and name HD1%)
(( segid "SAP" and resid 151 and name HN ))
ASSI { 295}
( segid "SAP" and resid 150 and name HD2%)
(( segid "SAP" and resid 151 and name HN ))
4.800 2.800 1.200 peak 295 spectrum 1 weight 0.10000E+01 volume 0.86619E-03 ppm1 7.992 ppm2 0.176 CV 1
ASSI { 296}
(( segid "SAP" and resid 150 and name HN ))
(( segid "SAP" and resid 152 and name HN ))
4.700 2.700 1.300 peak 296 spectrum 1 weight 0.10000E+01 volume 0.66238E-03 ppm1 7.100 ppm2 8.371 CV 1
ASSI { 297}
(( segid "SAP" and resid 151 and name HN ))
(( segid "SAP" and resid 152 and name HN ))
2.500 0.800 0.800 peak 297 spectrum 1 weight 0.10000E+01 volume 0.76428E-02 ppm1 7.101 ppm2 7.991 CV 1
ASSI { 298}
(( segid "SAP" and resid 153 and name HG ))
(( segid "SAP" and resid 152 and name HN ))
4.100 2.100 1.900 peak 298 spectrum 1 weight 0.10000E+01 volume 0.11323E-02 ppm1 7.103 ppm2 1.615 CV 1
ASSI { 299}
(( segid "SAP" and resid 153 and name HB2 ))
(( segid "SAP" and resid 152 and name HN ))
4.800 2.900 1.200 peak 299 spectrum 1 weight 0.10000E+01 volume 0.60010E-03 ppm1 7.101 ppm2 1.191 CV 1
ASSI { 300}
( segid "SAP" and resid 179 and name HG1%)
(( segid "SAP" and resid 152 and name HN ))
3.400 3.400 2.600 peak 300 spectrum 1 weight 0.10000E+01 volume 0.70767E-03 ppm1 7.093 ppm2 0.580 CV 1
ASSI { 301}
(( segid "SAP" and resid 154 and name HN ))
(( segid "SAP" and resid 153 and name HN ))
4.600 2.600 1.400 peak 301 spectrum 1 weight 0.10000E+01 volume 0.69069E-03 ppm1 7.177 ppm2 9.155 CV 1
ASSI { 302}
(( segid "SAP" and resid 151 and name HN ))
(( segid "SAP" and resid 153 and name HN ))
4.800 2.900 1.200 peak 302 spectrum 1 weight 0.10000E+01 volume 0.36855E-03 ppm1 7.171 ppm2 7.990 CV 1
ASSI { 303}
(( segid "SAP" and resid 150 and name HA ))
(( segid "SAP" and resid 153 and name HN ))
3.200 1.300 1.300 peak 303 spectrum 1 weight 0.10000E+01 volume 0.37478E-02 ppm1 7.176 ppm2 3.826 CV 1
ASSI { 304}
(( segid "SAP" and resid 152 and name HG1 ))
(( segid "SAP" and resid 153 and name HN ))
3.300 1.400 1.400 peak 304 spectrum 1 weight 0.10000E+01 volume 0.23155E-02 ppm1 7.175 ppm2 2.318 CV 1
OR { 304}
(( segid "SAP" and resid 152 and name HG2 ))
(( segid "SAP" and resid 153 and name HN ))
ASSI { 305}
(( segid "SAP" and resid 152 and name HB1 ))
(( segid "SAP" and resid 153 and name HN ))
3.600 1.600 1.600 peak 305 spectrum 1 weight 0.10000E+01 volume 0.21740E-02 ppm1 7.175 ppm2 2.116 CV 1
ASSI { 306}
(( segid "SAP" and resid 150 and name HB1 ))
(( segid "SAP" and resid 153 and name HN ))
3.800 1.800 1.800 peak 306 spectrum 1 weight 0.10000E+01 volume 0.20551E-02 ppm1 7.175 ppm2 1.466 CV 1
OR { 306}
( segid "SAP" and resid 157 and name HG2%)
(( segid "SAP" and resid 153 and name HN ))
ASSI { 307}
( segid "SAP" and resid 150 and name HD1%)
(( segid "SAP" and resid 153 and name HN ))
4.200 2.200 1.800 peak 307 spectrum 1 weight 0.10000E+01 volume 0.40479E-03 ppm1 7.175 ppm2 0.449 CV 1
OR { 307}
( segid "SAP" and resid 179 and name HG2%)
(( segid "SAP" and resid 153 and name HN ))
ASSI { 308}
( segid "SAP" and resid 150 and name HD2%)
(( segid "SAP" and resid 153 and name HN ))
5.500 3.800 0.500 peak 308 spectrum 1 weight 0.10000E+01 volume 0.56047E-03 ppm1 7.179 ppm2 0.189 CV 1
ASSI { 309}
(( segid "SAP" and resid 157 and name HN ))
(( segid "SAP" and resid 154 and name HN ))
4.000 2.000 2.000 peak 309 spectrum 1 weight 0.10000E+01 volume 0.77561E-03 ppm1 9.160 ppm2 7.469 CV 1
ASSI { 311}
(( segid "SAP" and resid 154 and name HN ))
(( segid "SAP" and resid 157 and name HN ))
4.300 2.300 1.700 peak 311 spectrum 1 weight 0.10000E+01 volume 0.54066E-03 ppm1 7.458 ppm2 9.149 CV 1
ASSI { 312}
(( segid "SAP" and resid 153 and name HB1 ))
(( segid "SAP" and resid 154 and name HN ))
3.300 1.300 1.300 peak 312 spectrum 1 weight 0.10000E+01 volume 0.15399E-02 ppm1 9.156 ppm2 1.885 CV 1
ASSI { 313}
(( segid "SAP" and resid 153 and name HG ))
(( segid "SAP" and resid 154 and name HN ))
4.900 3.000 1.100 peak 313 spectrum 1 weight 0.10000E+01 volume 0.60010E-03 ppm1 9.159 ppm2 1.607 CV 1
ASSI { 314}
( segid "SAP" and resid 157 and name HG2%)
(( segid "SAP" and resid 154 and name HN ))
4.700 2.700 1.300 peak 314 spectrum 1 weight 0.10000E+01 volume 0.62841E-03 ppm1 9.158 ppm2 1.438 CV 1
ASSI { 315}
(( segid "SAP" and resid 153 and name HB2 ))
(( segid "SAP" and resid 154 and name HN ))
3.400 1.400 1.400 peak 315 spectrum 1 weight 0.10000E+01 volume 0.29213E-02 ppm1 9.158 ppm2 1.193 CV 1
ASSI { 316}
( segid "SAP" and resid 153 and name HD2%)
(( segid "SAP" and resid 154 and name HN ))
4.300 2.300 1.700 peak 316 spectrum 1 weight 0.10000E+01 volume 0.13361E-02 ppm1 9.156 ppm2 0.721 CV 1
ASSI { 317}
(( segid "SAP" and resid 154 and name HG2 ))
(( segid "SAP" and resid 155 and name HN ))
5.300 3.500 0.700 peak 317 spectrum 1 weight 0.10000E+01 volume 0.43592E-03 ppm1 8.848 ppm2 2.609 CV 1
OR { 317}
(( segid "SAP" and resid 154 and name HG1 ))
(( segid "SAP" and resid 155 and name HN ))
ASSI { 318}
(( segid "SAP" and resid 154 and name HB1 ))
(( segid "SAP" and resid 155 and name HN ))
3.700 1.700 1.700 peak 318 spectrum 1 weight 0.10000E+01 volume 0.63973E-03 ppm1 8.851 ppm2 2.393 CV 1
ASSI { 319}
( segid "SAP" and resid 155 and name HG2%)
(( segid "SAP" and resid 155 and name HN ))
3.800 1.800 1.800 peak 319 spectrum 1 weight 0.10000E+01 volume 0.63973E-03 ppm1 8.853 ppm2 0.949 CV 1
ASSI { 321}
(( segid "SAP" and resid 158 and name HN ))
(( segid "SAP" and resid 156 and name HN ))
4.300 2.300 1.700 peak 321 spectrum 1 weight 0.10000E+01 volume 0.46310E-03 ppm1 8.954 ppm2 7.709 CV 1
ASSI { 322}
(( segid "SAP" and resid 156 and name HB1 ))
(( segid "SAP" and resid 156 and name HN ))
3.100 1.200 1.200 peak 322 spectrum 1 weight 0.10000E+01 volume 0.40818E-02 ppm1 8.951 ppm2 2.856 CV 1
ASSI { 323}
(( segid "SAP" and resid 155 and name HB ))
(( segid "SAP" and resid 156 and name HN ))
4.000 2.000 2.000 peak 323 spectrum 1 weight 0.10000E+01 volume 0.80391E-03 ppm1 8.948 ppm2 2.078 CV 1
ASSI { 324}
(( segid "SAP" and resid 154 and name HB2 ))
(( segid "SAP" and resid 156 and name HN ))
4.200 2.200 1.800 peak 324 spectrum 1 weight 0.10000E+01 volume 0.51292E-03 ppm1 8.950 ppm2 2.157 CV 1
ASSI { 325}
( segid "SAP" and resid 155 and name HG2%)
(( segid "SAP" and resid 156 and name HN ))
3.800 1.800 1.800 peak 325 spectrum 1 weight 0.10000E+01 volume 0.88317E-03 ppm1 8.952 ppm2 0.942 CV 1
ASSI { 326}
(( segid "SAP" and resid 156 and name HN ))
(( segid "SAP" and resid 157 and name HN ))
3.400 1.400 1.400 peak 326 spectrum 1 weight 0.10000E+01 volume 0.15003E-02 ppm1 7.455 ppm2 8.945 CV 1
ASSI { 327}
(( segid "SAP" and resid 158 and name HN ))
(( segid "SAP" and resid 157 and name HN ))
2.600 0.800 0.800 peak 327 spectrum 1 weight 0.10000E+01 volume 0.67936E-02 ppm1 7.457 ppm2 7.718 CV 1
ASSI { 328}
(( segid "SAP" and resid 157 and name HB ))
(( segid "SAP" and resid 157 and name HN ))
2.500 0.800 0.800 peak 328 spectrum 1 weight 0.10000E+01 volume 0.10190E-01 ppm1 7.456 ppm2 4.426 CV 1
OR { 328}
(( segid "SAP" and resid 156 and name HA ))
(( segid "SAP" and resid 157 and name HN ))
ASSI { 329}
(( segid "SAP" and resid 155 and name HA ))
(( segid "SAP" and resid 157 and name HN ))
3.900 1.900 1.900 peak 329 spectrum 1 weight 0.10000E+01 volume 0.91714E-03 ppm1 7.455 ppm2 3.620 CV 1
ASSI { 330}
(( segid "SAP" and resid 156 and name HB1 ))
(( segid "SAP" and resid 157 and name HN ))
2.900 1.100 1.100 peak 330 spectrum 1 weight 0.10000E+01 volume 0.41101E-02 ppm1 7.455 ppm2 2.848 CV 1
OR { 330}
(( segid "SAP" and resid 156 and name HB2 ))
(( segid "SAP" and resid 157 and name HN ))
ASSI { 331}
(( segid "SAP" and resid 154 and name HG1 ))
(( segid "SAP" and resid 157 and name HN ))
3.700 1.700 1.700 peak 331 spectrum 1 weight 0.10000E+01 volume 0.39460E-02 ppm1 7.459 ppm2 2.607 CV 1
OR { 331}
(( segid "SAP" and resid 154 and name HG2 ))
(( segid "SAP" and resid 157 and name HN ))
ASSI { 332}
(( segid "SAP" and resid 154 and name HB1 ))
(( segid "SAP" and resid 157 and name HN ))
4.000 2.000 2.000 peak 332 spectrum 1 weight 0.10000E+01 volume 0.19249E-02 ppm1 7.453 ppm2 2.399 CV 1
ASSI { 333}
(( segid "SAP" and resid 154 and name HB2 ))
(( segid "SAP" and resid 157 and name HN ))
2.700 0.900 0.900 peak 333 spectrum 1 weight 0.10000E+01 volume 0.52254E-02 ppm1 7.459 ppm2 2.138 CV 1
ASSI { 334}
(( segid "SAP" and resid 158 and name HG ))
(( segid "SAP" and resid 157 and name HN ))
3.700 1.700 1.700 peak 334 spectrum 1 weight 0.10000E+01 volume 0.22136E-02 ppm1 7.457 ppm2 1.573 CV 1
ASSI { 335}
(( segid "SAP" and resid 158 and name HB2 ))
(( segid "SAP" and resid 157 and name HN ))
4.400 2.400 1.600 peak 335 spectrum 1 weight 0.10000E+01 volume 0.90582E-03 ppm1 7.455 ppm2 1.176 CV 1
OR { 335}
(( segid "SAP" and resid 153 and name HB2 ))
(( segid "SAP" and resid 157 and name HN ))
ASSI { 336}
(( segid "SAP" and resid 159 and name HN ))
(( segid "SAP" and resid 158 and name HN ))
3.000 1.100 1.100 peak 336 spectrum 1 weight 0.10000E+01 volume 0.31081E-02 ppm1 7.714 ppm2 8.655 CV 1
ASSI { 338}
(( segid "SAP" and resid 155 and name HA ))
(( segid "SAP" and resid 158 and name HN ))
3.400 1.400 1.400 peak 338 spectrum 1 weight 0.10000E+01 volume 0.18739E-02 ppm1 7.718 ppm2 3.613 CV 1
ASSI { 339}
(( segid "SAP" and resid 157 and name HA ))
(( segid "SAP" and resid 158 and name HN ))
3.700 1.700 1.700 peak 339 spectrum 1 weight 0.10000E+01 volume 0.10983E-02 ppm1 7.712 ppm2 4.159 CV 1
ASSI { 340}
(( segid "SAP" and resid 156 and name HB2 ))
(( segid "SAP" and resid 158 and name HN ))
4.400 2.400 1.600 peak 340 spectrum 1 weight 0.10000E+01 volume 0.10021E-02 ppm1 7.718 ppm2 2.820 CV 1
ASSI { 341}
(( segid "SAP" and resid 161 and name HB1 ))
(( segid "SAP" and resid 158 and name HN ))
4.200 2.200 1.800 peak 341 spectrum 1 weight 0.10000E+01 volume 0.71899E-03 ppm1 7.717 ppm2 2.651 CV 1
OR { 341}
(( segid "SAP" and resid 154 and name HG1 ))
(( segid "SAP" and resid 158 and name HN ))
OR { 341}
(( segid "SAP" and resid 154 and name HG2 ))
(( segid "SAP" and resid 158 and name HN ))
ASSI { 342}
(( segid "SAP" and resid 158 and name HB1 ))
(( segid "SAP" and resid 158 and name HN ))
3.300 1.300 1.300 peak 342 spectrum 1 weight 0.10000E+01 volume 0.46933E-02 ppm1 7.718 ppm2 2.069 CV 1
ASSI { 343}
(( segid "SAP" and resid 153 and name HB1 ))
(( segid "SAP" and resid 158 and name HN ))
3.700 1.700 1.700 peak 343 spectrum 1 weight 0.10000E+01 volume 0.19192E-02 ppm1 7.718 ppm2 1.851 CV 1
OR { 343}
(( segid "SAP" and resid 159 and name HG1 ))
(( segid "SAP" and resid 158 and name HN ))
ASSI { 344}
( segid "SAP" and resid 155 and name HG2%)
(( segid "SAP" and resid 158 and name HN ))
4.000 2.000 2.000 peak 344 spectrum 1 weight 0.10000E+01 volume 0.15229E-02 ppm1 7.718 ppm2 0.935 CV 1
ASSI { 345}
( segid "SAP" and resid 155 and name HG1%)
(( segid "SAP" and resid 158 and name HN ))
4.400 2.400 1.600 peak 345 spectrum 1 weight 0.10000E+01 volume 0.13927E-02 ppm1 7.718 ppm2 1.055 CV 1
ASSI { 346}
( segid "SAP" and resid 157 and name HG2%)
(( segid "SAP" and resid 158 and name HN ))
3.400 1.500 1.500 peak 346 spectrum 1 weight 0.10000E+01 volume 0.30005E-02 ppm1 7.719 ppm2 1.452 CV 1
ASSI { 348}
(( segid "SAP" and resid 158 and name HN ))
(( segid "SAP" and resid 159 and name HN ))
2.900 1.000 1.000 peak 348 spectrum 1 weight 0.10000E+01 volume 0.37761E-02 ppm1 8.655 ppm2 7.707 CV 1
ASSI { 349}
(( segid "SAP" and resid 157 and name HN ))
(( segid "SAP" and resid 159 and name HN ))
4.300 2.400 1.700 peak 349 spectrum 1 weight 0.10000E+01 volume 0.62275E-03 ppm1 8.656 ppm2 7.447 CV 1
ASSI { 350}
(( segid "SAP" and resid 156 and name HA ))
(( segid "SAP" and resid 159 and name HN ))
3.300 1.400 1.400 peak 350 spectrum 1 weight 0.10000E+01 volume 0.22929E-02 ppm1 8.654 ppm2 4.449 CV 1
OR { 350}
(( segid "SAP" and resid 157 and name HB ))
(( segid "SAP" and resid 159 and name HN ))
ASSI { 351}
(( segid "SAP" and resid 159 and name HA ))
(( segid "SAP" and resid 159 and name HN ))
2.600 0.900 0.900 peak 351 spectrum 1 weight 0.10000E+01 volume 0.66804E-02 ppm1 8.654 ppm2 3.947 CV 1
OR { 351}
(( segid "SAP" and resid 158 and name HA ))
(( segid "SAP" and resid 159 and name HN ))
ASSI { 352}
(( segid "SAP" and resid 155 and name HA ))
(( segid "SAP" and resid 159 and name HN ))
3.700 1.700 1.700 peak 352 spectrum 1 weight 0.10000E+01 volume 0.14267E-02 ppm1 8.650 ppm2 3.619 CV 1
ASSI { 353}
(( segid "SAP" and resid 158 and name HB1 ))
(( segid "SAP" and resid 159 and name HN ))
3.100 1.200 1.200 peak 353 spectrum 1 weight 0.10000E+01 volume 0.54576E-02 ppm1 8.653 ppm2 2.084 CV 1
OR { 353}
(( segid "SAP" and resid 160 and name HB2 ))
(( segid "SAP" and resid 159 and name HN ))
ASSI { 354}
(( segid "SAP" and resid 159 and name HG2 ))
(( segid "SAP" and resid 159 and name HN ))
2.700 0.900 0.900 peak 354 spectrum 1 weight 0.10000E+01 volume 0.78693E-02 ppm1 8.655 ppm2 1.535 CV 1
OR { 354}
(( segid "SAP" and resid 158 and name HG ))
(( segid "SAP" and resid 159 and name HN ))
ASSI { 355}
(( segid "SAP" and resid 158 and name HB2 ))
(( segid "SAP" and resid 159 and name HN ))
2.800 1.000 1.000 peak 355 spectrum 1 weight 0.10000E+01 volume 0.20381E-02 ppm1 8.654 ppm2 1.185 CV 1
ASSI { 356}
( segid "SAP" and resid 155 and name HG2%)
(( segid "SAP" and resid 159 and name HN ))
4.000 2.000 2.000 peak 356 spectrum 1 weight 0.10000E+01 volume 0.12965E-02 ppm1 8.652 ppm2 0.946 CV 1
ASSI { 357}
( segid "SAP" and resid 158 and name HD1%)
(( segid "SAP" and resid 159 and name HN ))
3.900 1.900 1.900 peak 357 spectrum 1 weight 0.10000E+01 volume 0.31307E-02 ppm1 8.653 ppm2 0.649 CV 1
OR { 357}
( segid "SAP" and resid 158 and name HD2%)
(( segid "SAP" and resid 159 and name HN ))
ASSI { 358}
(( segid "SAP" and resid 159 and name HN ))
(( segid "SAP" and resid 160 and name HN ))
2.700 0.900 0.900 peak 358 spectrum 1 weight 0.10000E+01 volume 0.51235E-02 ppm1 7.837 ppm2 8.657 CV 1
ASSI { 359}
(( segid "SAP" and resid 161 and name HN ))
(( segid "SAP" and resid 160 and name HN ))
2.800 1.000 1.000 peak 359 spectrum 1 weight 0.10000E+01 volume 0.49310E-02 ppm1 7.836 ppm2 8.487 CV 1
ASSI { 360}
(( segid "SAP" and resid 162 and name HN ))
(( segid "SAP" and resid 160 and name HN ))
3.700 1.700 1.700 peak 360 spectrum 1 weight 0.10000E+01 volume 0.11549E-02 ppm1 7.832 ppm2 8.189 CV 1
OR { 360}
(( segid "SAP" and resid 163 and name HN ))
(( segid "SAP" and resid 160 and name HN ))
ASSI { 361}
(( segid "SAP" and resid 156 and name HA ))
(( segid "SAP" and resid 160 and name HN ))
3.700 1.700 1.700 peak 361 spectrum 1 weight 0.10000E+01 volume 0.13248E-02 ppm1 7.837 ppm2 4.438 CV 1
OR { 361}
(( segid "SAP" and resid 157 and name HB ))
(( segid "SAP" and resid 160 and name HN ))
ASSI { 362}
(( segid "SAP" and resid 157 and name HA ))
(( segid "SAP" and resid 160 and name HN ))
3.400 1.400 1.400 peak 362 spectrum 1 weight 0.10000E+01 volume 0.23551E-02 ppm1 7.839 ppm2 4.158 CV 1
ASSI { 363}
(( segid "SAP" and resid 161 and name HA ))
(( segid "SAP" and resid 160 and name HN ))
3.800 1.800 1.800 peak 363 spectrum 1 weight 0.10000E+01 volume 0.26042E-02 ppm1 7.834 ppm2 3.873 CV 1
ASSI { 364}
(( segid "SAP" and resid 159 and name HD2 ))
(( segid "SAP" and resid 160 and name HN ))
3.800 1.800 1.800 peak 364 spectrum 1 weight 0.10000E+01 volume 0.86619E-03 ppm1 7.835 ppm2 3.182 CV 1
OR { 364}
(( segid "SAP" and resid 159 and name HD1 ))
(( segid "SAP" and resid 160 and name HN ))
ASSI { 365}
(( segid "SAP" and resid 159 and name HB2 ))
(( segid "SAP" and resid 160 and name HN ))
2.600 0.800 0.800 peak 365 spectrum 1 weight 0.10000E+01 volume 0.12681E-01 ppm1 7.837 ppm2 1.890 CV 1
OR { 365}
(( segid "SAP" and resid 160 and name HG1 ))
(( segid "SAP" and resid 160 and name HN ))
OR { 365}
(( segid "SAP" and resid 159 and name HB1 ))
(( segid "SAP" and resid 160 and name HN ))
ASSI { 366}
( segid "SAP" and resid 157 and name HG2%)
(( segid "SAP" and resid 160 and name HN ))
4.100 2.100 1.900 peak 366 spectrum 1 weight 0.10000E+01 volume 0.12002E-02 ppm1 7.835 ppm2 1.433 CV 1
ASSI { 367}
(( segid "SAP" and resid 162 and name HN ))
(( segid "SAP" and resid 161 and name HN ))
2.900 1.100 1.100 peak 367 spectrum 1 weight 0.10000E+01 volume 0.32609E-02 ppm1 8.489 ppm2 8.202 CV 1
ASSI { 369}
(( segid "SAP" and resid 208 and name HB1 ))
(( segid "SAP" and resid 209 and name HN ))
3.300 1.300 1.300 peak 369 spectrum 1 weight 0.10000E+01 volume 0.32496E-02 ppm1 8.335 ppm2 1.811 CV 1
ASSI { 370}
(( segid "SAP" and resid 160 and name HB1 ))
(( segid "SAP" and resid 161 and name HN ))
2.700 0.900 0.900 peak 370 spectrum 1 weight 0.10000E+01 volume 0.31024E-02 ppm1 8.488 ppm2 2.243 CV 1
ASSI { 371}
(( segid "SAP" and resid 160 and name HB2 ))
(( segid "SAP" and resid 161 and name HN ))
3.800 1.800 1.800 peak 371 spectrum 1 weight 0.10000E+01 volume 0.34817E-02 ppm1 8.488 ppm2 2.103 CV 1
ASSI { 372}
(( segid "SAP" and resid 160 and name HG1 ))
(( segid "SAP" and resid 161 and name HN ))
3.700 1.700 1.700 peak 372 spectrum 1 weight 0.10000E+01 volume 0.25420E-02 ppm1 8.483 ppm2 1.904 CV 1
OR { 372}
(( segid "SAP" and resid 159 and name HB2 ))
(( segid "SAP" and resid 161 and name HN ))
OR { 372}
(( segid "SAP" and resid 159 and name HB1 ))
(( segid "SAP" and resid 161 and name HN ))
ASSI { 373}
(( segid "SAP" and resid 162 and name HG1 ))
(( segid "SAP" and resid 161 and name HN ))
3.900 1.900 1.900 peak 373 spectrum 1 weight 0.10000E+01 volume 0.12059E-02 ppm1 8.487 ppm2 1.737 CV 1
ASSI { 374}
(( segid "SAP" and resid 160 and name HG2 ))
(( segid "SAP" and resid 161 and name HN ))
4.000 2.000 2.000 peak 374 spectrum 1 weight 0.10000E+01 volume 0.13644E-02 ppm1 8.488 ppm2 1.569 CV 1
ASSI { 375}
( segid "SAP" and resid 157 and name HG2%)
(( segid "SAP" and resid 161 and name HN ))
3.800 1.800 1.800 peak 375 spectrum 1 weight 0.10000E+01 volume 0.10134E-02 ppm1 8.485 ppm2 1.450 CV 1
ASSI { 376}
( segid "SAP" and resid 182 and name HG1%)
(( segid "SAP" and resid 161 and name HN ))
3.600 1.600 1.600 peak 376 spectrum 1 weight 0.10000E+01 volume 0.19645E-02 ppm1 8.485 ppm2 0.757 CV 1
ASSI { 377}
(( segid "SAP" and resid 208 and name HB2 ))
(( segid "SAP" and resid 208 and name HN ))
2.700 0.900 0.900 peak 377 spectrum 1 weight 0.10000E+01 volume 0.92280E-02 ppm1 8.149 ppm2 1.742 CV 1
ASSI { 378}
(( segid "SAP" and resid 208 and name HG1 ))
(( segid "SAP" and resid 208 and name HN ))
2.800 1.000 1.000 peak 378 spectrum 1 weight 0.10000E+01 volume 0.75862E-02 ppm1 8.147 ppm2 1.390 CV 1
OR { 378}
(( segid "SAP" and resid 208 and name HG2 ))
(( segid "SAP" and resid 208 and name HN ))
ASSI { 379}
( segid "SAP" and resid 158 and name HD2%)
(( segid "SAP" and resid 161 and name HN ))
4.600 2.700 1.400 peak 379 spectrum 1 weight 0.10000E+01 volume 0.66238E-03 ppm1 8.488 ppm2 0.640 CV 1
OR { 379}
( segid "SAP" and resid 158 and name HD1%)
(( segid "SAP" and resid 161 and name HN ))
ASSI { 381}
( segid "SAP" and resid 161 and name HD% )
(( segid "SAP" and resid 162 and name HN ))
3.500 1.500 1.500 peak 381 spectrum 1 weight 0.10000E+01 volume 0.13700E-02 ppm1 8.211 ppm2 6.721 CV 1
ASSI { 382}
(( segid "SAP" and resid 161 and name HA ))
(( segid "SAP" and resid 162 and name HN ))
2.600 0.800 0.800 peak 382 spectrum 1 weight 0.10000E+01 volume 0.99074E-02 ppm1 8.207 ppm2 3.859 CV 1
OR { 382}
(( segid "SAP" and resid 161 and name HA ))
(( segid "SAP" and resid 163 and name HN ))
ASSI { 383}
(( segid "SAP" and resid 161 and name HB1 ))
(( segid "SAP" and resid 162 and name HN ))
2.800 1.000 1.000 peak 383 spectrum 1 weight 0.10000E+01 volume 0.51405E-02 ppm1 8.205 ppm2 2.636 CV 1
OR { 383}
(( segid "SAP" and resid 161 and name HB2 ))
(( segid "SAP" and resid 162 and name HN ))
ASSI { 384}
(( segid "SAP" and resid 162 and name HG2 ))
(( segid "SAP" and resid 162 and name HN ))
3.400 1.400 1.400 peak 384 spectrum 1 weight 0.10000E+01 volume 0.36176E-02 ppm1 8.206 ppm2 1.456 CV 1
ASSI { 385}
( segid "SAP" and resid 167 and name HD1%)
(( segid "SAP" and resid 162 and name HN ))
3.400 1.400 1.400 peak 385 spectrum 1 weight 0.10000E+01 volume 0.44951E-02 ppm1 8.211 ppm2 0.900 CV 1
ASSI { 386}
( segid "SAP" and resid 178 and name HD2%)
(( segid "SAP" and resid 162 and name HN ))
3.200 1.300 1.300 peak 386 spectrum 1 weight 0.10000E+01 volume 0.48518E-02 ppm1 8.208 ppm2 0.768 CV 1
OR { 386}
( segid "SAP" and resid 182 and name HG1%)
(( segid "SAP" and resid 162 and name HN ))
OR { 386}
( segid "SAP" and resid 167 and name HD2%)
(( segid "SAP" and resid 162 and name HN ))
ASSI { 387}
(( segid "SAP" and resid 164 and name HN ))
(( segid "SAP" and resid 163 and name HN ))
2.700 0.900 0.900 peak 387 spectrum 1 weight 0.10000E+01 volume 0.56331E-02 ppm1 8.189 ppm2 8.826 CV 1
ASSI { 388}
(( segid "SAP" and resid 163 and name HG1 ))
(( segid "SAP" and resid 163 and name HN ))
2.800 2.800 3.200 peak 388 spectrum 1 weight 0.10000E+01 volume 0.13248E-01 ppm1 8.189 ppm2 1.819 CV 1
ASSI { 390}
(( segid "SAP" and resid 165 and name HN ))
(( segid "SAP" and resid 164 and name HN ))
2.900 1.000 1.000 peak 390 spectrum 1 weight 0.10000E+01 volume 0.38894E-02 ppm1 8.825 ppm2 7.791 CV 1
ASSI { 391}
(( segid "SAP" and resid 165 and name HA ))
(( segid "SAP" and resid 164 and name HN ))
4.700 2.800 1.300 peak 391 spectrum 1 weight 0.10000E+01 volume 0.73598E-03 ppm1 8.825 ppm2 4.307 CV 1
ASSI { 392}
(( segid "SAP" and resid 163 and name HA ))
(( segid "SAP" and resid 164 and name HN ))
3.400 1.400 1.400 peak 392 spectrum 1 weight 0.10000E+01 volume 0.20551E-02 ppm1 8.825 ppm2 4.159 CV 1
ASSI { 393}
(( segid "SAP" and resid 164 and name HA ))
(( segid "SAP" and resid 164 and name HN ))
2.600 0.900 0.900 peak 393 spectrum 1 weight 0.10000E+01 volume 0.84354E-02 ppm1 8.826 ppm2 3.934 CV 1
ASSI { 395}
(( segid "SAP" and resid 163 and name HG2 ))
(( segid "SAP" and resid 164 and name HN ))
3.800 1.800 1.800 peak 395 spectrum 1 weight 0.10000E+01 volume 0.11662E-02 ppm1 8.828 ppm2 1.585 CV 1
OR { 395}
(( segid "SAP" and resid 160 and name HG2 ))
(( segid "SAP" and resid 164 and name HN ))
ASSI { 397}
(( segid "SAP" and resid 207 and name HB2 ))
(( segid "SAP" and resid 208 and name HN ))
3.000 1.100 1.100 peak 397 spectrum 1 weight 0.10000E+01 volume 0.62275E-02 ppm1 8.151 ppm2 2.648 CV 1
ASSI { 398}
( segid "SAP" and resid 143 and name HG2%)
(( segid "SAP" and resid 144 and name HN ))
3.300 1.400 1.400 peak 398 spectrum 1 weight 0.10000E+01 volume 0.42913E-02 ppm1 8.315 ppm2 0.894 CV 1
OR { 398}
( segid "SAP" and resid 140 and name HG2%)
(( segid "SAP" and resid 141 and name HN ))
OR { 398}
( segid "SAP" and resid 140 and name HG1%)
(( segid "SAP" and resid 141 and name HN ))
ASSI { 400}
(( segid "SAP" and resid 166 and name HN ))
(( segid "SAP" and resid 165 and name HN ))
2.500 0.800 0.800 peak 400 spectrum 1 weight 0.10000E+01 volume 0.88317E-02 ppm1 7.790 ppm2 7.547 CV 1
ASSI { 401}
( segid "SAP" and resid 165 and name HD% )
(( segid "SAP" and resid 165 and name HN ))
2.900 1.100 1.100 peak 401 spectrum 1 weight 0.10000E+01 volume 0.37025E-02 ppm1 7.787 ppm2 6.946 CV 1
ASSI { 402}
(( segid "SAP" and resid 164 and name HA ))
(( segid "SAP" and resid 165 and name HN ))
3.000 1.100 1.100 peak 402 spectrum 1 weight 0.10000E+01 volume 0.42290E-02 ppm1 7.787 ppm2 3.946 CV 1
OR { 402}
(( segid "SAP" and resid 162 and name HA ))
(( segid "SAP" and resid 165 and name HN ))
ASSI { 403}
(( segid "SAP" and resid 166 and name HA ))
(( segid "SAP" and resid 165 and name HN ))
3.900 1.900 1.900 peak 403 spectrum 1 weight 0.10000E+01 volume 0.24910E-02 ppm1 7.787 ppm2 3.820 CV 1
ASSI { 404}
(( segid "SAP" and resid 165 and name HB2 ))
(( segid "SAP" and resid 165 and name HN ))
2.300 0.700 0.700 peak 404 spectrum 1 weight 0.10000E+01 volume 0.90016E-02 ppm1 7.787 ppm2 2.066 CV 1
ASSI { 405}
(( segid "SAP" and resid 163 and name HB1 ))
(( segid "SAP" and resid 165 and name HN ))
3.800 1.800 1.800 peak 405 spectrum 1 weight 0.10000E+01 volume 0.22532E-02 ppm1 7.788 ppm2 1.906 CV 1
OR { 405}
(( segid "SAP" and resid 163 and name HB2 ))
(( segid "SAP" and resid 165 and name HN ))
ASSI { 406}
(( segid "SAP" and resid 167 and name HG ))
(( segid "SAP" and resid 165 and name HN ))
3.600 1.600 1.600 peak 406 spectrum 1 weight 0.10000E+01 volume 0.19362E-02 ppm1 7.793 ppm2 1.606 CV 1
OR { 406}
(( segid "SAP" and resid 153 and name HG ))
(( segid "SAP" and resid 152 and name HE21))
OR { 406}
(( segid "SAP" and resid 166 and name HD2 ))
(( segid "SAP" and resid 165 and name HN ))
ASSI { 407}
( segid "SAP" and resid 153 and name HD1%)
(( segid "SAP" and resid 152 and name HE21))
3.400 1.500 1.500 peak 407 spectrum 1 weight 0.10000E+01 volume 0.10757E-02 ppm1 7.787 ppm2 0.889 CV 1
OR { 407}
( segid "SAP" and resid 167 and name HD1%)
(( segid "SAP" and resid 165 and name HN ))
ASSI { 408}
( segid "SAP" and resid 153 and name HD2%)
(( segid "SAP" and resid 152 and name HE21))
3.400 1.400 1.400 peak 408 spectrum 1 weight 0.10000E+01 volume 0.14550E-02 ppm1 7.788 ppm2 0.779 CV 1
ASSI { 409}
(( segid "SAP" and resid 164 and name HN ))
(( segid "SAP" and resid 166 and name HN ))
4.100 2.100 1.900 peak 409 spectrum 1 weight 0.10000E+01 volume 0.74730E-03 ppm1 7.553 ppm2 8.818 CV 1
ASSI { 410}
(( segid "SAP" and resid 167 and name HN ))
(( segid "SAP" and resid 166 and name HN ))
3.000 1.100 1.100 peak 410 spectrum 1 weight 0.10000E+01 volume 0.65106E-02 ppm1 7.554 ppm2 8.273 CV 1
ASSI { 412}
(( segid "SAP" and resid 165 and name HA ))
(( segid "SAP" and resid 166 and name HN ))
3.300 1.400 1.400 peak 412 spectrum 1 weight 0.10000E+01 volume 0.21966E-02 ppm1 7.550 ppm2 4.320 CV 1
ASSI { 413}
(( segid "SAP" and resid 163 and name HA ))
(( segid "SAP" and resid 166 and name HN ))
3.400 1.400 1.400 peak 413 spectrum 1 weight 0.10000E+01 volume 0.17947E-02 ppm1 7.552 ppm2 4.154 CV 1
ASSI { 414}
(( segid "SAP" and resid 165 and name HB1 ))
(( segid "SAP" and resid 166 and name HN ))
3.800 1.800 1.800 peak 414 spectrum 1 weight 0.10000E+01 volume 0.17437E-02 ppm1 7.554 ppm2 2.917 CV 1
OR { 414}
(( segid "SAP" and resid 164 and name HB1 ))
(( segid "SAP" and resid 166 and name HN ))
OR { 414}
(( segid "SAP" and resid 166 and name HE1 ))
(( segid "SAP" and resid 166 and name HN ))
ASSI { 415}
(( segid "SAP" and resid 166 and name HD2 ))
(( segid "SAP" and resid 166 and name HN ))
3.300 1.400 1.400 peak 415 spectrum 1 weight 0.10000E+01 volume 0.38044E-02 ppm1 7.556 ppm2 1.611 CV 1
OR { 415}
(( segid "SAP" and resid 167 and name HG ))
(( segid "SAP" and resid 166 and name HN ))
ASSI { 416}
(( segid "SAP" and resid 165 and name HN ))
(( segid "SAP" and resid 167 and name HN ))
3.900 1.900 1.900 peak 416 spectrum 1 weight 0.10000E+01 volume 0.18399E-02 ppm1 8.275 ppm2 7.789 CV 1
ASSI { 418}
(( segid "SAP" and resid 166 and name HA ))
(( segid "SAP" and resid 167 and name HN ))
2.400 0.700 0.700 peak 418 spectrum 1 weight 0.10000E+01 volume 0.88883E-02 ppm1 8.275 ppm2 3.841 CV 1
ASSI { 419}
(( segid "SAP" and resid 168 and name HD1 ))
(( segid "SAP" and resid 167 and name HN ))
3.700 1.700 1.700 peak 419 spectrum 1 weight 0.10000E+01 volume 0.23042E-02 ppm1 8.279 ppm2 4.022 CV 1
ASSI { 420}
(( segid "SAP" and resid 165 and name HB1 ))
(( segid "SAP" and resid 167 and name HN ))
4.100 2.100 1.900 peak 420 spectrum 1 weight 0.10000E+01 volume 0.93979E-03 ppm1 8.281 ppm2 2.915 CV 1
OR { 420}
(( segid "SAP" and resid 162 and name HE2 ))
(( segid "SAP" and resid 167 and name HN ))
OR { 420}
(( segid "SAP" and resid 162 and name HE1 ))
(( segid "SAP" and resid 167 and name HN ))
ASSI { 421}
(( segid "SAP" and resid 162 and name HB1 ))
(( segid "SAP" and resid 167 and name HN ))
3.300 1.400 1.400 peak 421 spectrum 1 weight 0.10000E+01 volume 0.22249E-02 ppm1 8.278 ppm2 2.105 CV 1
OR { 421}
(( segid "SAP" and resid 162 and name HB2 ))
(( segid "SAP" and resid 167 and name HN ))
OR { 421}
(( segid "SAP" and resid 165 and name HB2 ))
(( segid "SAP" and resid 167 and name HN ))
ASSI { 422}
(( segid "SAP" and resid 163 and name HB2 ))
(( segid "SAP" and resid 167 and name HN ))
3.700 1.700 1.700 peak 422 spectrum 1 weight 0.10000E+01 volume 0.22023E-02 ppm1 8.276 ppm2 1.956 CV 1
OR { 422}
(( segid "SAP" and resid 163 and name HB1 ))
(( segid "SAP" and resid 167 and name HN ))
ASSI { 423}
(( segid "SAP" and resid 167 and name HG ))
(( segid "SAP" and resid 167 and name HN ))
2.500 0.800 0.800 peak 423 spectrum 1 weight 0.10000E+01 volume 0.15569E-01 ppm1 8.275 ppm2 1.607 CV 1
OR { 423}
(( segid "SAP" and resid 167 and name HB1 ))
(( segid "SAP" and resid 167 and name HN ))
ASSI { 424}
(( segid "SAP" and resid 166 and name HB2 ))
(( segid "SAP" and resid 167 and name HN ))
3.500 1.500 1.500 peak 424 spectrum 1 weight 0.10000E+01 volume 0.46310E-02 ppm1 8.275 ppm2 1.761 CV 1
ASSI { 425}
(( segid "SAP" and resid 167 and name HB2 ))
(( segid "SAP" and resid 167 and name HN ))
2.600 0.800 0.800 peak 425 spectrum 1 weight 0.10000E+01 volume 0.55368E-02 ppm1 8.279 ppm2 1.389 CV 1
ASSI { 426}
(( segid "SAP" and resid 168 and name HA ))
(( segid "SAP" and resid 169 and name HN ))
2.200 0.600 0.600 peak 426 spectrum 1 weight 0.10000E+01 volume 0.20438E-01 ppm1 8.088 ppm2 4.494 CV 1
ASSI { 427}
(( segid "SAP" and resid 162 and name HE1 ))
(( segid "SAP" and resid 169 and name HN ))
4.500 2.500 1.500 peak 427 spectrum 1 weight 0.10000E+01 volume 0.91148E-03 ppm1 8.090 ppm2 2.914 CV 1
OR { 427}
(( segid "SAP" and resid 162 and name HE2 ))
(( segid "SAP" and resid 169 and name HN ))
ASSI { 428}
(( segid "SAP" and resid 167 and name HB1 ))
(( segid "SAP" and resid 169 and name HN ))
3.700 1.700 1.700 peak 428 spectrum 1 weight 0.10000E+01 volume 0.11662E-02 ppm1 8.086 ppm2 1.611 CV 1
OR { 428}
(( segid "SAP" and resid 162 and name HD2 ))
(( segid "SAP" and resid 169 and name HN ))
OR { 428}
(( segid "SAP" and resid 167 and name HG ))
(( segid "SAP" and resid 169 and name HN ))
OR { 428}
(( segid "SAP" and resid 170 and name HG2 ))
(( segid "SAP" and resid 169 and name HN ))
ASSI { 429}
(( segid "SAP" and resid 172 and name HN ))
(( segid "SAP" and resid 173 and name HN ))
3.700 1.700 1.700 peak 429 spectrum 1 weight 0.10000E+01 volume 0.84920E-03 ppm1 7.509 ppm2 8.629 CV 1
ASSI { 430}
(( segid "SAP" and resid 174 and name HN ))
(( segid "SAP" and resid 173 and name HN ))
4.000 2.000 2.000 peak 430 spectrum 1 weight 0.10000E+01 volume 0.14040E-02 ppm1 7.510 ppm2 8.447 CV 1
ASSI { 431}
(( segid "SAP" and resid 173 and name HA ))
(( segid "SAP" and resid 173 and name HN ))
2.700 0.900 0.900 peak 431 spectrum 1 weight 0.10000E+01 volume 0.65106E-02 ppm1 7.515 ppm2 4.309 CV 1
ASSI { 432}
(( segid "SAP" and resid 173 and name HB2 ))
(( segid "SAP" and resid 173 and name HN ))
2.500 0.800 0.800 peak 432 spectrum 1 weight 0.10000E+01 volume 0.79825E-02 ppm1 7.513 ppm2 1.463 CV 1
ASSI { 433}
(( segid "SAP" and resid 173 and name HG ))
(( segid "SAP" and resid 173 and name HN ))
2.100 0.500 0.500 peak 433 spectrum 1 weight 0.10000E+01 volume 0.27967E-01 ppm1 7.512 ppm2 1.796 CV 1
ASSI { 434}
( segid "SAP" and resid 173 and name HD1%)
(( segid "SAP" and resid 173 and name HN ))
3.300 1.400 1.400 peak 434 spectrum 1 weight 0.10000E+01 volume 0.67936E-02 ppm1 7.510 ppm2 0.852 CV 1
ASSI { 435}
( segid "SAP" and resid 173 and name HD2%)
(( segid "SAP" and resid 173 and name HN ))
3.200 1.300 1.300 peak 435 spectrum 1 weight 0.10000E+01 volume 0.60577E-02 ppm1 7.511 ppm2 0.717 CV 1
ASSI { 436}
(( segid "SAP" and resid 176 and name HA ))
(( segid "SAP" and resid 176 and name HN ))
2.700 0.900 0.900 peak 436 spectrum 1 weight 0.10000E+01 volume 0.72465E-02 ppm1 8.207 ppm2 4.050 CV 1
ASSI { 437}
(( segid "SAP" and resid 175 and name HA ))
(( segid "SAP" and resid 176 and name HN ))
3.400 1.500 1.500 peak 437 spectrum 1 weight 0.10000E+01 volume 0.18230E-02 ppm1 8.207 ppm2 3.754 CV 1
ASSI { 438}
(( segid "SAP" and resid 175 and name HB1 ))
(( segid "SAP" and resid 176 and name HN ))
2.300 0.700 0.700 peak 438 spectrum 1 weight 0.10000E+01 volume 0.14493E-01 ppm1 8.208 ppm2 1.842 CV 1
OR { 438}
(( segid "SAP" and resid 175 and name HB2 ))
(( segid "SAP" and resid 176 and name HN ))
ASSI { 439}
( segid "SAP" and resid 176 and name HB% )
(( segid "SAP" and resid 176 and name HN ))
2.200 0.600 0.600 peak 439 spectrum 1 weight 0.10000E+01 volume 0.24457E-01 ppm1 8.209 ppm2 1.513 CV 1
ASSI { 440}
(( segid "SAP" and resid 179 and name HN ))
(( segid "SAP" and resid 177 and name HN ))
3.800 1.800 1.800 peak 440 spectrum 1 weight 0.10000E+01 volume 0.10587E-02 ppm1 8.286 ppm2 8.738 CV 1
ASSI { 441}
(( segid "SAP" and resid 173 and name HA ))
(( segid "SAP" and resid 177 and name HN ))
5.300 3.500 0.700 peak 441 spectrum 1 weight 0.10000E+01 volume 0.79259E-03 ppm1 8.284 ppm2 4.322 CV 1
ASSI { 442}
(( segid "SAP" and resid 177 and name HA ))
(( segid "SAP" and resid 177 and name HN ))
2.600 0.800 0.800 peak 442 spectrum 1 weight 0.10000E+01 volume 0.86053E-02 ppm1 8.287 ppm2 4.049 CV 1
OR { 442}
(( segid "SAP" and resid 176 and name HA ))
(( segid "SAP" and resid 177 and name HN ))
ASSI { 443}
(( segid "SAP" and resid 173 and name HB1 ))
(( segid "SAP" and resid 177 and name HN ))
4.100 2.100 1.900 peak 443 spectrum 1 weight 0.10000E+01 volume 0.18003E-02 ppm1 8.285 ppm2 1.765 CV 1
OR { 443}
(( segid "SAP" and resid 178 and name HB1 ))
(( segid "SAP" and resid 177 and name HN ))
ASSI { 444}
( segid "SAP" and resid 173 and name HD2%)
(( segid "SAP" and resid 177 and name HN ))
4.600 2.700 1.400 peak 444 spectrum 1 weight 0.10000E+01 volume 0.12172E-02 ppm1 8.287 ppm2 0.715 CV 1
ASSI { 445}
(( segid "SAP" and resid 179 and name HN ))
(( segid "SAP" and resid 178 and name HN ))
2.600 0.900 0.900 peak 445 spectrum 1 weight 0.10000E+01 volume 0.53953E-02 ppm1 8.363 ppm2 8.736 CV 1
ASSI { 446}
(( segid "SAP" and resid 178 and name HA ))
(( segid "SAP" and resid 178 and name HN ))
2.600 0.800 0.800 peak 446 spectrum 1 weight 0.10000E+01 volume 0.75296E-02 ppm1 8.364 ppm2 4.050 CV 1
OR { 446}
(( segid "SAP" and resid 177 and name HA ))
(( segid "SAP" and resid 178 and name HN ))
ASSI { 447}
(( segid "SAP" and resid 175 and name HA ))
(( segid "SAP" and resid 178 and name HN ))
3.500 1.500 1.500 peak 447 spectrum 1 weight 0.10000E+01 volume 0.12795E-02 ppm1 8.363 ppm2 3.747 CV 1
ASSI { 448}
(( segid "SAP" and resid 177 and name HG1 ))
(( segid "SAP" and resid 178 and name HN ))
4.700 2.800 1.300 peak 448 spectrum 1 weight 0.10000E+01 volume 0.11379E-02 ppm1 8.363 ppm2 2.673 CV 1
ASSI { 449}
(( segid "SAP" and resid 177 and name HB2 ))
(( segid "SAP" and resid 178 and name HN ))
2.500 2.500 3.500 peak 449 spectrum 1 weight 0.10000E+01 volume 0.43026E-02 ppm1 8.363 ppm2 1.944 CV 1
ASSI { 450}
(( segid "SAP" and resid 178 and name HG ))
(( segid "SAP" and resid 178 and name HN ))
2.200 0.600 0.600 peak 450 spectrum 1 weight 0.10000E+01 volume 0.13191E-01 ppm1 8.364 ppm2 1.536 CV 1
ASSI { 451}
(( segid "SAP" and resid 158 and name HB2 ))
(( segid "SAP" and resid 178 and name HN ))
5.200 3.400 0.800 peak 451 spectrum 1 weight 0.10000E+01 volume 0.58312E-03 ppm1 8.363 ppm2 1.192 CV 1
ASSI { 452}
( segid "SAP" and resid 155 and name HG1%)
(( segid "SAP" and resid 178 and name HN ))
4.400 2.400 1.600 peak 452 spectrum 1 weight 0.10000E+01 volume 0.11493E-02 ppm1 8.363 ppm2 1.049 CV 1
OR { 452}
(( segid "SAP" and resid 175 and name HG2 ))
(( segid "SAP" and resid 178 and name HN ))
ASSI { 453}
( segid "SAP" and resid 179 and name HG1%)
(( segid "SAP" and resid 178 and name HN ))
4.500 2.500 1.500 peak 453 spectrum 1 weight 0.10000E+01 volume 0.12568E-02 ppm1 8.365 ppm2 0.598 CV 1
ASSI { 455}
(( segid "SAP" and resid 180 and name HN ))
(( segid "SAP" and resid 179 and name HN ))
2.700 0.900 0.900 peak 455 spectrum 1 weight 0.10000E+01 volume 0.47952E-02 ppm1 8.736 ppm2 7.590 CV 1
ASSI { 456}
(( segid "SAP" and resid 180 and name HB2 ))
(( segid "SAP" and resid 179 and name HN ))
4.400 2.400 1.600 peak 456 spectrum 1 weight 0.10000E+01 volume 0.11323E-02 ppm1 8.736 ppm2 2.150 CV 1
OR { 456}
(( segid "SAP" and resid 180 and name HB1 ))
(( segid "SAP" and resid 179 and name HN ))
ASSI { 457}
(( segid "SAP" and resid 179 and name HB ))
(( segid "SAP" and resid 179 and name HN ))
2.300 0.700 0.700 peak 457 spectrum 1 weight 0.10000E+01 volume 0.12172E-01 ppm1 8.736 ppm2 1.920 CV 1
ASSI { 458}
( segid "SAP" and resid 178 and name HD1%)
(( segid "SAP" and resid 179 and name HN ))
3.900 1.900 1.900 peak 458 spectrum 1 weight 0.10000E+01 volume 0.25872E-02 ppm1 8.734 ppm2 0.801 CV 1
OR { 458}
( segid "SAP" and resid 178 and name HD2%)
(( segid "SAP" and resid 179 and name HN ))
ASSI { 460}
(( segid "SAP" and resid 178 and name HN ))
(( segid "SAP" and resid 180 and name HN ))
3.700 1.700 1.700 peak 460 spectrum 1 weight 0.10000E+01 volume 0.11719E-02 ppm1 7.601 ppm2 8.366 CV 1
ASSI { 463}
(( segid "SAP" and resid 184 and name HN ))
(( segid "SAP" and resid 182 and name HN ))
3.800 1.800 1.800 peak 463 spectrum 1 weight 0.10000E+01 volume 0.98508E-03 ppm1 8.564 ppm2 7.594 CV 1
OR { 463}
(( segid "SAP" and resid 180 and name HN ))
(( segid "SAP" and resid 182 and name HN ))
ASSI { 464}
(( segid "SAP" and resid 181 and name HN ))
(( segid "SAP" and resid 180 and name HN ))
2.600 0.800 0.800 peak 464 spectrum 1 weight 0.10000E+01 volume 0.64540E-02 ppm1 7.597 ppm2 7.373 CV 1
ASSI { 465}
(( segid "SAP" and resid 180 and name HA ))
(( segid "SAP" and resid 180 and name HN ))
2.400 0.700 0.700 peak 465 spectrum 1 weight 0.10000E+01 volume 0.14210E-01 ppm1 7.598 ppm2 4.034 CV 1
ASSI { 466}
(( segid "SAP" and resid 180 and name HB2 ))
(( segid "SAP" and resid 180 and name HN ))
2.100 0.600 0.600 peak 466 spectrum 1 weight 0.10000E+01 volume 0.20721E-01 ppm1 7.598 ppm2 2.138 CV 1
OR { 466}
(( segid "SAP" and resid 180 and name HB1 ))
(( segid "SAP" and resid 180 and name HN ))
ASSI { 467}
(( segid "SAP" and resid 180 and name HG2 ))
(( segid "SAP" and resid 180 and name HN ))
3.100 1.200 1.200 peak 467 spectrum 1 weight 0.10000E+01 volume 0.10304E-01 ppm1 7.597 ppm2 2.237 CV 1
ASSI { 468}
(( segid "SAP" and resid 179 and name HB ))
(( segid "SAP" and resid 180 and name HN ))
2.500 0.800 0.800 peak 468 spectrum 1 weight 0.10000E+01 volume 0.85487E-02 ppm1 7.598 ppm2 1.917 CV 1
ASSI { 469}
(( segid "SAP" and resid 181 and name HG11))
(( segid "SAP" and resid 180 and name HN ))
3.900 1.900 1.900 peak 469 spectrum 1 weight 0.10000E+01 volume 0.19135E-02 ppm1 7.597 ppm2 1.749 CV 1
OR { 469}
(( segid "SAP" and resid 182 and name HB ))
(( segid "SAP" and resid 180 and name HN ))
ASSI { 470}
( segid "SAP" and resid 176 and name HB% )
(( segid "SAP" and resid 180 and name HN ))
3.900 1.900 1.900 peak 470 spectrum 1 weight 0.10000E+01 volume 0.15003E-02 ppm1 7.592 ppm2 1.529 CV 1
OR { 470}
(( segid "SAP" and resid 178 and name HG ))
(( segid "SAP" and resid 180 and name HN ))
OR { 470}
(( segid "SAP" and resid 158 and name HG ))
(( segid "SAP" and resid 180 and name HN ))
ASSI { 471}
(( segid "SAP" and resid 181 and name HG12))
(( segid "SAP" and resid 180 and name HN ))
5.900 4.400 0.100 peak 471 spectrum 1 weight 0.10000E+01 volume 0.49933E-03 ppm1 7.592 ppm2 1.283 CV 1
ASSI { 472}
(( segid "SAP" and resid 183 and name HN ))
(( segid "SAP" and resid 185 and name HN ))
4.300 2.300 1.700 peak 472 spectrum 1 weight 0.10000E+01 volume 0.56614E-03 ppm1 7.382 ppm2 8.956 CV 1
OR { 472}
(( segid "SAP" and resid 183 and name HN ))
(( segid "SAP" and resid 181 and name HN ))
ASSI { 473}
(( segid "SAP" and resid 182 and name HN ))
(( segid "SAP" and resid 181 and name HN ))
2.700 0.900 0.900 peak 473 spectrum 1 weight 0.10000E+01 volume 0.43876E-02 ppm1 7.379 ppm2 8.568 CV 1
ASSI { 475}
(( segid "SAP" and resid 180 and name HA ))
(( segid "SAP" and resid 181 and name HN ))
3.000 1.100 1.100 peak 475 spectrum 1 weight 0.10000E+01 volume 0.39799E-02 ppm1 7.381 ppm2 4.032 CV 1
OR { 475}
(( segid "SAP" and resid 178 and name HA ))
(( segid "SAP" and resid 181 and name HN ))
ASSI { 476}
(( segid "SAP" and resid 181 and name HA ))
(( segid "SAP" and resid 181 and name HN ))
2.800 1.000 1.000 peak 476 spectrum 1 weight 0.10000E+01 volume 0.46989E-02 ppm1 7.381 ppm2 3.840 CV 1
ASSI { 477}
(( segid "SAP" and resid 179 and name HA ))
(( segid "SAP" and resid 181 and name HN ))
4.000 2.000 2.000 peak 477 spectrum 1 weight 0.10000E+01 volume 0.68502E-03 ppm1 7.378 ppm2 3.163 CV 1
ASSI { 478}
(( segid "SAP" and resid 180 and name HG1 ))
(( segid "SAP" and resid 181 and name HN ))
4.500 2.500 1.500 peak 478 spectrum 1 weight 0.10000E+01 volume 0.10134E-02 ppm1 7.378 ppm2 2.379 CV 1
ASSI { 479}
(( segid "SAP" and resid 180 and name HB1 ))
(( segid "SAP" and resid 181 and name HN ))
2.500 0.800 0.800 peak 479 spectrum 1 weight 0.10000E+01 volume 0.75862E-02 ppm1 7.378 ppm2 2.135 CV 1
OR { 479}
(( segid "SAP" and resid 180 and name HB2 ))
(( segid "SAP" and resid 181 and name HN ))
ASSI { 480}
(( segid "SAP" and resid 180 and name HG2 ))
(( segid "SAP" and resid 181 and name HN ))
3.600 1.600 1.600 peak 480 spectrum 1 weight 0.10000E+01 volume 0.31421E-02 ppm1 7.380 ppm2 2.231 CV 1
OR { 480}
(( segid "SAP" and resid 177 and name HB1 ))
(( segid "SAP" and resid 181 and name HN ))
ASSI { 481}
( segid "SAP" and resid 181 and name HG2%)
(( segid "SAP" and resid 181 and name HN ))
3.600 1.700 1.700 peak 481 spectrum 1 weight 0.10000E+01 volume 0.47952E-02 ppm1 7.379 ppm2 0.957 CV 1
ASSI { 482}
( segid "SAP" and resid 181 and name HD1%)
(( segid "SAP" and resid 181 and name HN ))
3.700 1.700 1.700 peak 482 spectrum 1 weight 0.10000E+01 volume 0.44555E-02 ppm1 7.380 ppm2 0.865 CV 1
ASSI { 483}
( segid "SAP" and resid 178 and name HD2%)
(( segid "SAP" and resid 181 and name HN ))
3.800 1.800 1.800 peak 483 spectrum 1 weight 0.10000E+01 volume 0.24797E-02 ppm1 7.382 ppm2 0.752 CV 1
OR { 483}
( segid "SAP" and resid 182 and name HG1%)
(( segid "SAP" and resid 181 and name HN ))
OR { 483}
( segid "SAP" and resid 173 and name HD2%)
(( segid "SAP" and resid 181 and name HN ))
ASSI { 484}
(( segid "SAP" and resid 183 and name HN ))
(( segid "SAP" and resid 182 and name HN ))
2.900 1.000 1.000 peak 484 spectrum 1 weight 0.10000E+01 volume 0.37761E-02 ppm1 8.570 ppm2 8.948 CV 1
ASSI { 485}
(( segid "SAP" and resid 181 and name HN ))
(( segid "SAP" and resid 182 and name HN ))
2.600 0.900 0.900 peak 485 spectrum 1 weight 0.10000E+01 volume 0.50896E-02 ppm1 8.565 ppm2 7.381 CV 1
ASSI { 486}
(( segid "SAP" and resid 178 and name HA ))
(( segid "SAP" and resid 182 and name HN ))
3.400 1.500 1.500 peak 486 spectrum 1 weight 0.10000E+01 volume 0.15795E-02 ppm1 8.563 ppm2 4.029 CV 1
OR { 486}
(( segid "SAP" and resid 180 and name HA ))
(( segid "SAP" and resid 182 and name HN ))
ASSI { 487}
(( segid "SAP" and resid 179 and name HA ))
(( segid "SAP" and resid 182 and name HN ))
3.400 1.500 1.500 peak 487 spectrum 1 weight 0.10000E+01 volume 0.21060E-02 ppm1 8.567 ppm2 3.154 CV 1
ASSI { 488}
( segid "SAP" and resid 181 and name HG2%)
(( segid "SAP" and resid 182 and name HN ))
3.400 1.400 1.400 peak 488 spectrum 1 weight 0.10000E+01 volume 0.32496E-02 ppm1 8.566 ppm2 0.960 CV 1
ASSI { 489}
( segid "SAP" and resid 150 and name HD1%)
(( segid "SAP" and resid 182 and name HN ))
4.300 2.300 1.700 peak 489 spectrum 1 weight 0.10000E+01 volume 0.12059E-02 ppm1 8.569 ppm2 0.450 CV 1
OR { 489}
( segid "SAP" and resid 179 and name HG2%)
(( segid "SAP" and resid 182 and name HN ))
ASSI { 491}
(( segid "SAP" and resid 186 and name HN ))
(( segid "SAP" and resid 183 and name HN ))
4.800 2.900 1.200 peak 491 spectrum 1 weight 0.10000E+01 volume 0.36403E-03 ppm1 8.953 ppm2 9.444 CV 1
ASSI { 493}
(( segid "SAP" and resid 185 and name HN ))
(( segid "SAP" and resid 183 and name HN ))
3.800 1.800 1.800 peak 493 spectrum 1 weight 0.10000E+01 volume 0.11323E-02 ppm1 8.951 ppm2 7.391 CV 1
OR { 493}
(( segid "SAP" and resid 181 and name HN ))
(( segid "SAP" and resid 183 and name HN ))
ASSI { 494}
(( segid "SAP" and resid 183 and name HA1 ))
(( segid "SAP" and resid 183 and name HN ))
2.300 0.600 0.600 peak 494 spectrum 1 weight 0.10000E+01 volume 0.13134E-01 ppm1 8.948 ppm2 3.949 CV 1
ASSI { 495}
(( segid "SAP" and resid 179 and name HA ))
(( segid "SAP" and resid 183 and name HN ))
3.600 1.600 1.600 peak 495 spectrum 1 weight 0.10000E+01 volume 0.14663E-02 ppm1 8.945 ppm2 3.160 CV 1
ASSI { 496}
(( segid "SAP" and resid 186 and name HB2 ))
(( segid "SAP" and resid 183 and name HN ))
4.400 2.500 1.600 peak 496 spectrum 1 weight 0.10000E+01 volume 0.94545E-03 ppm1 8.949 ppm2 2.983 CV 1
OR { 496}
(( segid "SAP" and resid 184 and name HB2 ))
(( segid "SAP" and resid 183 and name HN ))
ASSI { 497}
(( segid "SAP" and resid 180 and name HB1 ))
(( segid "SAP" and resid 183 and name HN ))
5.200 3.300 0.800 peak 497 spectrum 1 weight 0.10000E+01 volume 0.25816E-03 ppm1 8.947 ppm2 2.156 CV 1
OR { 497}
(( segid "SAP" and resid 180 and name HB2 ))
(( segid "SAP" and resid 183 and name HN ))
ASSI { 498}
( segid "SAP" and resid 150 and name HD1%)
(( segid "SAP" and resid 183 and name HN ))
3.000 1.200 1.200 peak 498 spectrum 1 weight 0.10000E+01 volume 0.42007E-02 ppm1 8.948 ppm2 0.441 CV 1
ASSI { 500}
(( segid "SAP" and resid 183 and name HN ))
(( segid "SAP" and resid 184 and name HN ))
2.700 0.900 0.900 peak 500 spectrum 1 weight 0.10000E+01 volume 0.59444E-02 ppm1 7.624 ppm2 8.946 CV 1
ASSI { 501}
(( segid "SAP" and resid 182 and name HN ))
(( segid "SAP" and resid 184 and name HN ))
3.900 1.900 1.900 peak 501 spectrum 1 weight 0.10000E+01 volume 0.86619E-03 ppm1 7.626 ppm2 8.565 CV 1
ASSI { 502}
(( segid "SAP" and resid 185 and name HN ))
(( segid "SAP" and resid 184 and name HN ))
2.500 0.800 0.800 peak 502 spectrum 1 weight 0.10000E+01 volume 0.96809E-02 ppm1 7.626 ppm2 7.405 CV 1
ASSI { 503}
(( segid "SAP" and resid 183 and name HA1 ))
(( segid "SAP" and resid 184 and name HN ))
2.600 0.800 0.800 peak 503 spectrum 1 weight 0.10000E+01 volume 0.75296E-02 ppm1 7.626 ppm2 3.890 CV 1
ASSI { 504}
(( segid "SAP" and resid 184 and name HB2 ))
(( segid "SAP" and resid 184 and name HN ))
2.500 0.800 0.800 peak 504 spectrum 1 weight 0.10000E+01 volume 0.95111E-02 ppm1 7.624 ppm2 2.968 CV 1
ASSI { 505}
(( segid "SAP" and resid 181 and name HB ))
(( segid "SAP" and resid 184 and name HN ))
4.700 2.800 1.300 peak 505 spectrum 1 weight 0.10000E+01 volume 0.46593E-03 ppm1 7.615 ppm2 1.942 CV 1
ASSI { 506}
(( segid "SAP" and resid 182 and name HB ))
(( segid "SAP" and resid 184 and name HN ))
3.800 1.800 1.800 peak 506 spectrum 1 weight 0.10000E+01 volume 0.18286E-02 ppm1 7.627 ppm2 1.716 CV 1
OR { 506}
(( segid "SAP" and resid 181 and name HG11))
(( segid "SAP" and resid 184 and name HN ))
ASSI { 507}
( segid "SAP" and resid 150 and name HD1%)
(( segid "SAP" and resid 184 and name HN ))
4.500 2.500 1.500 peak 507 spectrum 1 weight 0.10000E+01 volume 0.96243E-03 ppm1 7.624 ppm2 0.449 CV 1
ASSI { 508}
( segid "SAP" and resid 182 and name HG2%)
(( segid "SAP" and resid 184 and name HN ))
5.300 3.500 0.700 peak 508 spectrum 1 weight 0.10000E+01 volume 0.37875E-03 ppm1 7.630 ppm2 -0.209 CV 1
ASSI { 509}
(( segid "SAP" and resid 186 and name HN ))
(( segid "SAP" and resid 185 and name HN ))
2.600 0.900 0.900 peak 509 spectrum 1 weight 0.10000E+01 volume 0.54745E-02 ppm1 7.416 ppm2 9.447 CV 1
ASSI { 510}
(( segid "SAP" and resid 183 and name HN ))
(( segid "SAP" and resid 185 and name HN ))
4.500 2.500 1.500 peak 510 spectrum 1 weight 0.10000E+01 volume 0.53896E-03 ppm1 7.421 ppm2 8.957 CV 1
ASSI { 511}
(( segid "SAP" and resid 184 and name HN ))
(( segid "SAP" and resid 185 and name HN ))
2.600 0.800 0.800 peak 511 spectrum 1 weight 0.10000E+01 volume 0.71333E-02 ppm1 7.419 ppm2 7.634 CV 1
OR { 511}
(( segid "SAP" and resid 180 and name HN ))
(( segid "SAP" and resid 181 and name HN ))
ASSI { 513}
(( segid "SAP" and resid 185 and name HA ))
(( segid "SAP" and resid 185 and name HN ))
2.800 1.000 1.000 peak 513 spectrum 1 weight 0.10000E+01 volume 0.65106E-02 ppm1 7.414 ppm2 4.044 CV 1
OR { 513}
(( segid "SAP" and resid 178 and name HA ))
(( segid "SAP" and resid 181 and name HN ))
OR { 513}
(( segid "SAP" and resid 186 and name HA ))
(( segid "SAP" and resid 185 and name HN ))
ASSI { 515}
(( segid "SAP" and resid 185 and name HB2 ))
(( segid "SAP" and resid 185 and name HN ))
2.500 0.800 0.800 peak 515 spectrum 1 weight 0.10000E+01 volume 0.90016E-02 ppm1 7.419 ppm2 3.201 CV 1
ASSI { 516}
(( segid "SAP" and resid 185 and name HB1 ))
(( segid "SAP" and resid 185 and name HN ))
2.400 0.700 0.700 peak 516 spectrum 1 weight 0.10000E+01 volume 0.12002E-01 ppm1 7.418 ppm2 3.355 CV 1
ASSI { 517}
(( segid "SAP" and resid 184 and name HB2 ))
(( segid "SAP" and resid 185 and name HN ))
3.400 1.400 1.400 peak 517 spectrum 1 weight 0.10000E+01 volume 0.54292E-02 ppm1 7.418 ppm2 2.971 CV 1
OR { 517}
(( segid "SAP" and resid 186 and name HB2 ))
(( segid "SAP" and resid 185 and name HN ))
ASSI { 518}
(( segid "SAP" and resid 184 and name HB1 ))
(( segid "SAP" and resid 185 and name HN ))
2.500 0.800 0.800 peak 518 spectrum 1 weight 0.10000E+01 volume 0.69069E-02 ppm1 7.418 ppm2 3.085 CV 1
ASSI { 519}
( segid "SAP" and resid 181 and name HD1%)
(( segid "SAP" and resid 181 and name HN ))
4.100 2.100 1.900 peak 519 spectrum 1 weight 0.10000E+01 volume 0.21343E-02 ppm1 7.419 ppm2 0.883 CV 1
ASSI { 520}
( segid "SAP" and resid 182 and name HG1%)
(( segid "SAP" and resid 185 and name HN ))
3.800 1.800 1.800 peak 520 spectrum 1 weight 0.10000E+01 volume 0.20381E-02 ppm1 7.418 ppm2 0.764 CV 1
OR { 520}
( segid "SAP" and resid 178 and name HD2%)
(( segid "SAP" and resid 181 and name HN ))
OR { 520}
( segid "SAP" and resid 167 and name HD2%)
(( segid "SAP" and resid 185 and name HN ))
ASSI { 522}
(( segid "SAP" and resid 184 and name HN ))
(( segid "SAP" and resid 186 and name HN ))
3.900 1.900 1.900 peak 522 spectrum 1 weight 0.10000E+01 volume 0.99074E-03 ppm1 9.445 ppm2 7.638 CV 1
OR { 522}
(( segid "SAP" and resid 188 and name HN ))
(( segid "SAP" and resid 186 and name HN ))
ASSI { 523}
(( segid "SAP" and resid 185 and name HN ))
(( segid "SAP" and resid 186 and name HN ))
2.500 0.800 0.800 peak 523 spectrum 1 weight 0.10000E+01 volume 0.75296E-02 ppm1 9.448 ppm2 7.432 CV 1
OR { 523}
(( segid "SAP" and resid 187 and name HN ))
(( segid "SAP" and resid 186 and name HN ))
ASSI { 524}
( segid "SAP" and resid 186 and name HD% )
(( segid "SAP" and resid 186 and name HN ))
4.700 2.800 1.300 peak 524 spectrum 1 weight 0.10000E+01 volume 0.65106E-03 ppm1 9.448 ppm2 7.224 CV 1
OR { 524}
( segid "SAP" and resid 161 and name HE% )
(( segid "SAP" and resid 186 and name HN ))
ASSI { 525}
( segid "SAP" and resid 186 and name HE% )
(( segid "SAP" and resid 186 and name HN ))
4.800 2.900 1.200 peak 525 spectrum 1 weight 0.10000E+01 volume 0.51349E-03 ppm1 9.453 ppm2 7.108 CV 1
ASSI { 526}
(( segid "SAP" and resid 183 and name HN ))
(( segid "SAP" and resid 186 and name HN ))
5.400 3.600 0.600 peak 526 spectrum 1 weight 0.10000E+01 volume 0.18060E-03 ppm1 9.448 ppm2 8.953 CV 1
ASSI { 527}
(( segid "SAP" and resid 186 and name HA ))
(( segid "SAP" and resid 186 and name HN ))
2.900 1.000 1.000 peak 527 spectrum 1 weight 0.10000E+01 volume 0.46819E-02 ppm1 9.448 ppm2 4.057 CV 1
OR { 527}
(( segid "SAP" and resid 185 and name HA ))
(( segid "SAP" and resid 186 and name HN ))
ASSI { 528}
(( segid "SAP" and resid 186 and name HB1 ))
(( segid "SAP" and resid 186 and name HN ))
2.500 0.800 0.800 peak 528 spectrum 1 weight 0.10000E+01 volume 0.95677E-02 ppm1 9.448 ppm2 3.351 CV 1
OR { 528}
(( segid "SAP" and resid 185 and name HB1 ))
(( segid "SAP" and resid 186 and name HN ))
ASSI { 529}
(( segid "SAP" and resid 185 and name HB2 ))
(( segid "SAP" and resid 186 and name HN ))
3.600 1.700 1.700 peak 529 spectrum 1 weight 0.10000E+01 volume 0.37705E-02 ppm1 9.447 ppm2 3.192 CV 1
ASSI { 530}
(( segid "SAP" and resid 183 and name HA2 ))
(( segid "SAP" and resid 186 and name HN ))
3.500 1.500 1.500 peak 530 spectrum 1 weight 0.10000E+01 volume 0.15739E-02 ppm1 9.445 ppm2 3.578 CV 1
ASSI { 531}
(( segid "SAP" and resid 183 and name HA1 ))
(( segid "SAP" and resid 186 and name HN ))
4.400 2.500 1.600 peak 531 spectrum 1 weight 0.10000E+01 volume 0.10417E-02 ppm1 9.448 ppm2 3.888 CV 1
OR { 531}
(( segid "SAP" and resid 187 and name HA ))
(( segid "SAP" and resid 186 and name HN ))
ASSI { 532}
( segid "SAP" and resid 189 and name HD1%)
(( segid "SAP" and resid 186 and name HN ))
3.400 1.500 1.500 peak 532 spectrum 1 weight 0.10000E+01 volume 0.88317E-03 ppm1 9.443 ppm2 0.685 CV 1
OR { 532}
( segid "SAP" and resid 148 and name HG2%)
(( segid "SAP" and resid 186 and name HN ))
ASSI { 533}
( segid "SAP" and resid 182 and name HG2%)
(( segid "SAP" and resid 186 and name HN ))
5.200 3.400 0.800 peak 533 spectrum 1 weight 0.10000E+01 volume 0.33515E-03 ppm1 9.447 ppm2 -0.195 CV 1
ASSI { 534}
(( segid "SAP" and resid 186 and name HN ))
(( segid "SAP" and resid 187 and name HN ))
3.000 1.100 1.100 peak 534 spectrum 1 weight 0.10000E+01 volume 0.31704E-02 ppm1 7.469 ppm2 9.451 CV 1
ASSI { 536}
(( segid "SAP" and resid 188 and name HN ))
(( segid "SAP" and resid 187 and name HN ))
2.600 0.900 0.900 peak 536 spectrum 1 weight 0.10000E+01 volume 0.67936E-02 ppm1 7.474 ppm2 7.701 CV 1
ASSI { 537}
(( segid "SAP" and resid 141 and name HA ))
(( segid "SAP" and resid 141 and name HE21))
4.300 2.300 1.700 peak 537 spectrum 1 weight 0.10000E+01 volume 0.47895E-03 ppm1 7.475 ppm2 4.359 CV 1
ASSI { 538}
(( segid "SAP" and resid 186 and name HA ))
(( segid "SAP" and resid 187 and name HN ))
3.100 1.200 1.200 peak 538 spectrum 1 weight 0.10000E+01 volume 0.36969E-02 ppm1 7.472 ppm2 4.084 CV 1
ASSI { 539}
(( segid "SAP" and resid 183 and name HA2 ))
(( segid "SAP" and resid 187 and name HN ))
4.000 2.000 2.000 peak 539 spectrum 1 weight 0.10000E+01 volume 0.99074E-03 ppm1 7.468 ppm2 3.581 CV 1
ASSI { 540}
(( segid "SAP" and resid 186 and name HB2 ))
(( segid "SAP" and resid 187 and name HN ))
3.300 1.400 1.400 peak 540 spectrum 1 weight 0.10000E+01 volume 0.54745E-02 ppm1 7.468 ppm2 3.007 CV 1
ASSI { 541}
(( segid "SAP" and resid 206 and name HB2 ))
(( segid "SAP" and resid 207 and name HN ))
3.300 1.400 1.400 peak 541 spectrum 1 weight 0.10000E+01 volume 0.24004E-02 ppm1 7.846 ppm2 2.430 CV 1
ASSI { 542}
(( segid "SAP" and resid 187 and name HB2 ))
(( segid "SAP" and resid 187 and name HN ))
2.400 0.700 0.700 peak 542 spectrum 1 weight 0.10000E+01 volume 0.15172E-01 ppm1 7.469 ppm2 1.898 CV 1
OR { 542}
(( segid "SAP" and resid 187 and name HB1 ))
(( segid "SAP" and resid 187 and name HN ))
ASSI { 543}
(( segid "SAP" and resid 187 and name HG1 ))
(( segid "SAP" and resid 187 and name HN ))
2.400 0.700 0.700 peak 543 spectrum 1 weight 0.10000E+01 volume 0.11832E-01 ppm1 7.470 ppm2 1.680 CV 1
OR { 543}
(( segid "SAP" and resid 187 and name HG2 ))
(( segid "SAP" and resid 187 and name HN ))
ASSI { 544}
( segid "SAP" and resid 150 and name HD1%)
(( segid "SAP" and resid 187 and name HN ))
4.500 2.500 1.500 peak 544 spectrum 1 weight 0.10000E+01 volume 0.79259E-03 ppm1 7.466 ppm2 0.433 CV 1
ASSI { 545}
(( segid "SAP" and resid 186 and name HN ))
(( segid "SAP" and resid 188 and name HN ))
4.700 2.800 1.300 peak 545 spectrum 1 weight 0.10000E+01 volume 0.30968E-03 ppm1 7.670 ppm2 9.444 CV 1
ASSI { 547}
(( segid "SAP" and resid 189 and name HN ))
(( segid "SAP" and resid 188 and name HN ))
2.300 0.700 0.700 peak 547 spectrum 1 weight 0.10000E+01 volume 0.11379E-01 ppm1 7.672 ppm2 7.129 CV 1
ASSI { 548}
(( segid "SAP" and resid 186 and name HA ))
(( segid "SAP" and resid 188 and name HN ))
3.000 1.100 1.100 peak 548 spectrum 1 weight 0.10000E+01 volume 0.31817E-02 ppm1 7.673 ppm2 4.035 CV 1
OR { 548}
(( segid "SAP" and resid 185 and name HA ))
(( segid "SAP" and resid 188 and name HN ))
ASSI { 549}
(( segid "SAP" and resid 187 and name HA ))
(( segid "SAP" and resid 188 and name HN ))
2.600 0.800 0.800 peak 549 spectrum 1 weight 0.10000E+01 volume 0.81524E-02 ppm1 7.672 ppm2 3.869 CV 1
OR { 549}
(( segid "SAP" and resid 188 and name HB1 ))
(( segid "SAP" and resid 188 and name HN ))
ASSI { 550}
(( segid "SAP" and resid 188 and name HB2 ))
(( segid "SAP" and resid 188 and name HN ))
2.900 1.100 1.100 peak 550 spectrum 1 weight 0.10000E+01 volume 0.65106E-02 ppm1 7.672 ppm2 3.729 CV 1
OR { 550}
(( segid "SAP" and resid 189 and name HA ))
(( segid "SAP" and resid 188 and name HN ))
ASSI { 551}
(( segid "SAP" and resid 187 and name HB1 ))
(( segid "SAP" and resid 188 and name HN ))
3.300 1.300 1.300 peak 551 spectrum 1 weight 0.10000E+01 volume 0.36516E-02 ppm1 7.674 ppm2 1.882 CV 1
OR { 551}
(( segid "SAP" and resid 187 and name HB2 ))
(( segid "SAP" and resid 188 and name HN ))
ASSI { 552}
(( segid "SAP" and resid 189 and name HG11))
(( segid "SAP" and resid 188 and name HN ))
3.300 1.400 1.400 peak 552 spectrum 1 weight 0.10000E+01 volume 0.16984E-02 ppm1 7.668 ppm2 1.510 CV 1
ASSI { 553}
(( segid "SAP" and resid 189 and name HB ))
(( segid "SAP" and resid 188 and name HN ))
4.100 2.100 1.900 peak 553 spectrum 1 weight 0.10000E+01 volume 0.17720E-02 ppm1 7.675 ppm2 1.214 CV 1
ASSI { 554}
( segid "SAP" and resid 189 and name HD1%)
(( segid "SAP" and resid 188 and name HN ))
4.100 2.100 1.900 peak 554 spectrum 1 weight 0.10000E+01 volume 0.20834E-02 ppm1 7.674 ppm2 0.696 CV 1
OR { 554}
( segid "SAP" and resid 189 and name HG2%)
(( segid "SAP" and resid 188 and name HN ))
ASSI { 556}
(( segid "SAP" and resid 161 and name HN ))
(( segid "SAP" and resid 162 and name HN ))
2.700 0.900 0.900 peak 556 spectrum 1 weight 0.10000E+01 volume 0.57180E-02 ppm1 8.210 ppm2 8.499 CV 1
ASSI { 557}
(( segid "SAP" and resid 187 and name HA ))
(( segid "SAP" and resid 189 and name HN ))
3.700 1.700 1.700 peak 557 spectrum 1 weight 0.10000E+01 volume 0.19418E-02 ppm1 7.132 ppm2 3.872 CV 1
OR { 557}
(( segid "SAP" and resid 188 and name HB1 ))
(( segid "SAP" and resid 189 and name HN ))
ASSI { 558}
(( segid "SAP" and resid 207 and name HB1 ))
(( segid "SAP" and resid 207 and name HN ))
2.500 0.800 0.800 peak 558 spectrum 1 weight 0.10000E+01 volume 0.17607E-01 ppm1 7.847 ppm2 2.675 CV 1
OR { 558}
(( segid "SAP" and resid 206 and name HB1 ))
(( segid "SAP" and resid 207 and name HN ))
ASSI { 559}
( segid "SAP" and resid 189 and name HD1%)
(( segid "SAP" and resid 189 and name HN ))
3.200 1.300 1.300 peak 559 spectrum 1 weight 0.10000E+01 volume 0.84920E-02 ppm1 7.132 ppm2 0.698 CV 1
OR { 559}
( segid "SAP" and resid 189 and name HG2%)
(( segid "SAP" and resid 189 and name HN ))
ASSI { 560}
(( segid "SAP" and resid 191 and name HA ))
(( segid "SAP" and resid 191 and name HN ))
2.700 0.900 0.900 peak 560 spectrum 1 weight 0.10000E+01 volume 0.67370E-02 ppm1 8.399 ppm2 3.979 CV 1
ASSI { 561}
(( segid "SAP" and resid 190 and name HB1 ))
(( segid "SAP" and resid 191 and name HN ))
3.200 1.300 1.300 peak 561 spectrum 1 weight 0.10000E+01 volume 0.74164E-02 ppm1 8.398 ppm2 2.112 CV 1
ASSI { 562}
(( segid "SAP" and resid 191 and name HB ))
(( segid "SAP" and resid 191 and name HN ))
2.500 0.800 0.800 peak 562 spectrum 1 weight 0.10000E+01 volume 0.15456E-01 ppm1 8.397 ppm2 1.794 CV 1
OR { 562}
(( segid "SAP" and resid 190 and name HB2 ))
(( segid "SAP" and resid 191 and name HN ))
ASSI { 563}
( segid "SAP" and resid 191 and name HG1%)
(( segid "SAP" and resid 191 and name HN ))
2.400 0.700 0.700 peak 563 spectrum 1 weight 0.10000E+01 volume 0.12908E-01 ppm1 8.396 ppm2 0.707 CV 1
ASSI { 564}
(( segid "SAP" and resid 191 and name HA ))
(( segid "SAP" and resid 192 and name HN ))
2.400 0.700 0.700 peak 564 spectrum 1 weight 0.10000E+01 volume 0.11606E-01 ppm1 8.510 ppm2 3.977 CV 1
ASSI { 565}
( segid "SAP" and resid 191 and name HG2%)
(( segid "SAP" and resid 192 and name HN ))
3.100 1.200 1.200 peak 565 spectrum 1 weight 0.10000E+01 volume 0.35610E-02 ppm1 8.509 ppm2 0.697 CV 1
ASSI { 566}
(( segid "SAP" and resid 195 and name HN ))
(( segid "SAP" and resid 194 and name HN ))
2.600 0.900 0.900 peak 566 spectrum 1 weight 0.10000E+01 volume 0.81524E-02 ppm1 8.435 ppm2 8.126 CV 1
ASSI { 567}
(( segid "SAP" and resid 194 and name HA ))
(( segid "SAP" and resid 194 and name HN ))
2.700 0.900 0.900 peak 567 spectrum 1 weight 0.10000E+01 volume 0.73032E-02 ppm1 8.435 ppm2 3.946 CV 1
ASSI { 568}
(( segid "SAP" and resid 192 and name HB2 ))
(( segid "SAP" and resid 194 and name HN ))
4.300 2.300 1.700 peak 568 spectrum 1 weight 0.10000E+01 volume 0.95677E-03 ppm1 8.439 ppm2 2.655 CV 1
OR { 568}
(( segid "SAP" and resid 195 and name HB1 ))
(( segid "SAP" and resid 194 and name HN ))
ASSI { 569}
(( segid "SAP" and resid 195 and name HB2 ))
(( segid "SAP" and resid 194 and name HN ))
4.500 2.500 1.500 peak 569 spectrum 1 weight 0.10000E+01 volume 0.99640E-03 ppm1 8.435 ppm2 2.494 CV 1
ASSI { 570}
(( segid "SAP" and resid 193 and name HG1 ))
(( segid "SAP" and resid 194 and name HN ))
3.600 1.600 1.600 peak 570 spectrum 1 weight 0.10000E+01 volume 0.34591E-02 ppm1 8.434 ppm2 2.212 CV 1
ASSI { 571}
(( segid "SAP" and resid 193 and name HB1 ))
(( segid "SAP" and resid 194 and name HN ))
2.600 0.800 0.800 peak 571 spectrum 1 weight 0.10000E+01 volume 0.92280E-02 ppm1 8.435 ppm2 2.056 CV 1
OR { 571}
(( segid "SAP" and resid 193 and name HB2 ))
(( segid "SAP" and resid 194 and name HN ))
ASSI { 572}
(( segid "SAP" and resid 194 and name HG1 ))
(( segid "SAP" and resid 194 and name HN ))
3.500 1.500 1.500 peak 572 spectrum 1 weight 0.10000E+01 volume 0.40592E-02 ppm1 8.433 ppm2 1.453 CV 1
ASSI { 573}
(( segid "SAP" and resid 194 and name HN ))
(( segid "SAP" and resid 195 and name HN ))
2.700 0.900 0.900 peak 573 spectrum 1 weight 0.10000E+01 volume 0.68502E-02 ppm1 8.123 ppm2 8.434 CV 1
OR { 573}
(( segid "SAP" and resid 132 and name HN ))
(( segid "SAP" and resid 133 and name HN ))
ASSI { 574}
(( segid "SAP" and resid 195 and name HA ))
(( segid "SAP" and resid 195 and name HN ))
2.800 1.000 1.000 peak 574 spectrum 1 weight 0.10000E+01 volume 0.58312E-02 ppm1 8.124 ppm2 4.369 CV 1
ASSI { 575}
(( segid "SAP" and resid 194 and name HA ))
(( segid "SAP" and resid 195 and name HN ))
3.300 1.400 1.400 peak 575 spectrum 1 weight 0.10000E+01 volume 0.27458E-02 ppm1 8.126 ppm2 3.946 CV 1
ASSI { 576}
(( segid "SAP" and resid 192 and name HB1 ))
(( segid "SAP" and resid 195 and name HN ))
3.200 1.300 1.300 peak 576 spectrum 1 weight 0.10000E+01 volume 0.20721E-02 ppm1 8.124 ppm2 2.886 CV 1
ASSI { 577}
(( segid "SAP" and resid 195 and name HB1 ))
(( segid "SAP" and resid 195 and name HN ))
2.700 0.900 0.900 peak 577 spectrum 1 weight 0.10000E+01 volume 0.86619E-02 ppm1 8.126 ppm2 2.666 CV 1
ASSI { 578}
(( segid "SAP" and resid 195 and name HB2 ))
(( segid "SAP" and resid 195 and name HN ))
2.300 0.700 0.700 peak 578 spectrum 1 weight 0.10000E+01 volume 0.13304E-01 ppm1 8.124 ppm2 2.501 CV 1
ASSI { 579}
(( segid "SAP" and resid 194 and name HB1 ))
(( segid "SAP" and resid 195 and name HN ))
2.400 0.700 0.700 peak 579 spectrum 1 weight 0.10000E+01 volume 0.11493E-01 ppm1 8.124 ppm2 1.865 CV 1
OR { 579}
(( segid "SAP" and resid 194 and name HB2 ))
(( segid "SAP" and resid 195 and name HN ))
ASSI { 580}
(( segid "SAP" and resid 194 and name HG1 ))
(( segid "SAP" and resid 195 and name HN ))
3.600 1.600 1.600 peak 580 spectrum 1 weight 0.10000E+01 volume 0.29382E-02 ppm1 8.122 ppm2 1.450 CV 1
ASSI { 582}
(( segid "SAP" and resid 193 and name HA ))
(( segid "SAP" and resid 195 and name HN ))
4.200 2.200 1.800 peak 582 spectrum 1 weight 0.10000E+01 volume 0.62275E-03 ppm1 8.126 ppm2 3.539 CV 1
ASSI { 583}
(( segid "SAP" and resid 197 and name HN ))
(( segid "SAP" and resid 196 and name HN ))
2.600 0.900 0.900 peak 583 spectrum 1 weight 0.10000E+01 volume 0.71333E-02 ppm1 8.201 ppm2 8.479 CV 1
OR { 583}
(( segid "SAP" and resid 194 and name HN ))
(( segid "SAP" and resid 196 and name HN ))
ASSI { 585}
(( segid "SAP" and resid 195 and name HB1 ))
(( segid "SAP" and resid 196 and name HN ))
2.900 1.100 1.100 peak 585 spectrum 1 weight 0.10000E+01 volume 0.43592E-02 ppm1 8.203 ppm2 2.661 CV 1
OR { 585}
(( segid "SAP" and resid 137 and name HB1 ))
(( segid "SAP" and resid 138 and name HN ))
ASSI { 586}
(( segid "SAP" and resid 195 and name HB2 ))
(( segid "SAP" and resid 196 and name HN ))
3.400 1.500 1.500 peak 586 spectrum 1 weight 0.10000E+01 volume 0.30685E-02 ppm1 8.202 ppm2 2.517 CV 1
ASSI { 587}
( segid "SAP" and resid 196 and name HG2%)
(( segid "SAP" and resid 196 and name HN ))
3.500 1.500 1.500 peak 587 spectrum 1 weight 0.10000E+01 volume 0.35214E-02 ppm1 8.205 ppm2 1.044 CV 1
ASSI { 588}
(( segid "SAP" and resid 207 and name HA ))
(( segid "SAP" and resid 207 and name HN ))
2.500 0.800 0.800 peak 588 spectrum 1 weight 0.10000E+01 volume 0.10700E-01 ppm1 7.846 ppm2 4.454 CV 1
ASSI { 589}
(( segid "SAP" and resid 208 and name HN ))
(( segid "SAP" and resid 207 and name HN ))
3.000 1.100 1.100 peak 589 spectrum 1 weight 0.10000E+01 volume 0.50216E-02 ppm1 7.845 ppm2 8.144 CV 1
ASSI { 590}
(( segid "SAP" and resid 197 and name HD2%))
(( segid "SAP" and resid 196 and name HN ))
4.500 4.500 1.500 peak 590 spectrum 1 weight 0.10000E+01 volume 0.39346E-03 ppm1 8.199 ppm2 -0.039 CV 1
ASSI { 591}
(( segid "SAP" and resid 196 and name HN ))
(( segid "SAP" and resid 197 and name HN ))
2.800 1.000 1.000 peak 591 spectrum 1 weight 0.10000E+01 volume 0.41668E-02 ppm1 8.478 ppm2 8.212 CV 1
ASSI { 592}
(( segid "SAP" and resid 198 and name HN ))
(( segid "SAP" and resid 197 and name HN ))
2.700 0.900 0.900 peak 592 spectrum 1 weight 0.10000E+01 volume 0.49367E-02 ppm1 8.480 ppm2 8.029 CV 1
ASSI { 594}
(( segid "SAP" and resid 196 and name HB ))
(( segid "SAP" and resid 197 and name HN ))
2.500 0.800 0.800 peak 594 spectrum 1 weight 0.10000E+01 volume 0.61709E-02 ppm1 8.481 ppm2 4.044 CV 1
ASSI { 595}
(( segid "SAP" and resid 196 and name HA ))
(( segid "SAP" and resid 197 and name HN ))
2.900 1.100 1.100 peak 595 spectrum 1 weight 0.10000E+01 volume 0.51688E-02 ppm1 8.481 ppm2 3.784 CV 1
ASSI { 596}
(( segid "SAP" and resid 193 and name HA ))
(( segid "SAP" and resid 197 and name HN ))
4.100 2.100 1.900 peak 596 spectrum 1 weight 0.10000E+01 volume 0.69069E-03 ppm1 8.479 ppm2 3.526 CV 1
ASSI { 597}
( segid "SAP" and resid 196 and name HG2%)
(( segid "SAP" and resid 197 and name HN ))
3.100 1.200 1.200 peak 597 spectrum 1 weight 0.10000E+01 volume 0.39290E-02 ppm1 8.479 ppm2 1.015 CV 1
ASSI { 599}
(( segid "SAP" and resid 198 and name HB ))
(( segid "SAP" and resid 198 and name HN ))
2.400 0.700 0.700 peak 599 spectrum 1 weight 0.10000E+01 volume 0.10530E-01 ppm1 8.047 ppm2 4.289 CV 1
ASSI { 600}
(( segid "SAP" and resid 198 and name HA ))
(( segid "SAP" and resid 198 and name HN ))
2.600 0.800 0.800 peak 600 spectrum 1 weight 0.10000E+01 volume 0.83788E-02 ppm1 8.045 ppm2 3.872 CV 1
ASSI { 601}
( segid "SAP" and resid 196 and name HG2%)
(( segid "SAP" and resid 198 and name HN ))
3.700 1.700 1.700 peak 601 spectrum 1 weight 0.10000E+01 volume 0.87751E-03 ppm1 8.047 ppm2 1.025 CV 1
OR { 601}
( segid "SAP" and resid 201 and name HD1%)
(( segid "SAP" and resid 198 and name HN ))
ASSI { 602}
(( segid "SAP" and resid 200 and name HN ))
(( segid "SAP" and resid 199 and name HN ))
2.800 1.000 1.000 peak 602 spectrum 1 weight 0.10000E+01 volume 0.49141E-02 ppm1 8.010 ppm2 8.479 CV 1
ASSI { 603}
(( segid "SAP" and resid 198 and name HB ))
(( segid "SAP" and resid 199 and name HN ))
2.300 0.700 0.700 peak 603 spectrum 1 weight 0.10000E+01 volume 0.13814E-01 ppm1 8.012 ppm2 4.272 CV 1
ASSI { 604}
(( segid "SAP" and resid 198 and name HA ))
(( segid "SAP" and resid 199 and name HN ))
3.300 1.400 1.400 peak 604 spectrum 1 weight 0.10000E+01 volume 0.26382E-02 ppm1 8.010 ppm2 3.862 CV 1
ASSI { 605}
(( segid "SAP" and resid 199 and name HB1 ))
(( segid "SAP" and resid 199 and name HN ))
2.900 1.000 1.000 peak 605 spectrum 1 weight 0.10000E+01 volume 0.10247E-01 ppm1 8.010 ppm2 3.163 CV 1
ASSI { 606}
(( segid "SAP" and resid 199 and name HB2 ))
(( segid "SAP" and resid 199 and name HN ))
2.600 0.800 0.800 peak 606 spectrum 1 weight 0.10000E+01 volume 0.68502E-02 ppm1 8.010 ppm2 2.919 CV 1
ASSI { 607}
( segid "SAP" and resid 196 and name HG2%)
(( segid "SAP" and resid 199 and name HN ))
4.000 2.000 2.000 peak 607 spectrum 1 weight 0.10000E+01 volume 0.70201E-03 ppm1 8.006 ppm2 1.050 CV 1
OR { 607}
( segid "SAP" and resid 201 and name HG2%)
(( segid "SAP" and resid 199 and name HN ))
ASSI { 608}
(( segid "SAP" and resid 201 and name HN ))
(( segid "SAP" and resid 200 and name HN ))
2.800 1.000 1.000 peak 608 spectrum 1 weight 0.10000E+01 volume 0.45064E-02 ppm1 8.476 ppm2 8.620 CV 1
ASSI { 610}
( segid "SAP" and resid 200 and name HD% )
(( segid "SAP" and resid 200 and name HN ))
4.700 2.700 1.300 peak 610 spectrum 1 weight 0.10000E+01 volume 0.10643E-02 ppm1 8.477 ppm2 7.648 CV 1
ASSI { 612}
(( segid "SAP" and resid 199 and name HA ))
(( segid "SAP" and resid 200 and name HN ))
3.800 1.800 1.800 peak 612 spectrum 1 weight 0.10000E+01 volume 0.12851E-02 ppm1 8.473 ppm2 4.224 CV 1
ASSI { 613}
(( segid "SAP" and resid 197 and name HA ))
(( segid "SAP" and resid 200 and name HN ))
3.100 1.200 1.200 peak 613 spectrum 1 weight 0.10000E+01 volume 0.36176E-02 ppm1 8.473 ppm2 3.832 CV 1
OR { 613}
(( segid "SAP" and resid 198 and name HA ))
(( segid "SAP" and resid 200 and name HN ))
ASSI { 614}
(( segid "SAP" and resid 199 and name HB1 ))
(( segid "SAP" and resid 200 and name HN ))
3.300 1.300 1.300 peak 614 spectrum 1 weight 0.10000E+01 volume 0.38441E-02 ppm1 8.475 ppm2 3.153 CV 1
ASSI { 615}
(( segid "SAP" and resid 200 and name HB2 ))
(( segid "SAP" and resid 200 and name HN ))
2.800 1.000 1.000 peak 615 spectrum 1 weight 0.10000E+01 volume 0.42573E-02 ppm1 8.475 ppm2 3.298 CV 1
ASSI { 616}
(( segid "SAP" and resid 199 and name HB2 ))
(( segid "SAP" and resid 200 and name HN ))
3.100 1.200 1.200 peak 616 spectrum 1 weight 0.10000E+01 volume 0.21966E-02 ppm1 8.475 ppm2 2.926 CV 1
ASSI { 617}
(( segid "SAP" and resid 201 and name HG11))
(( segid "SAP" and resid 200 and name HN ))
4.900 3.000 1.100 peak 617 spectrum 1 weight 0.10000E+01 volume 0.54462E-03 ppm1 8.475 ppm2 2.193 CV 1
ASSI { 618}
( segid "SAP" and resid 196 and name HG2%)
(( segid "SAP" and resid 200 and name HN ))
3.500 1.500 1.500 peak 618 spectrum 1 weight 0.10000E+01 volume 0.18399E-02 ppm1 8.473 ppm2 1.023 CV 1
OR { 618}
( segid "SAP" and resid 201 and name HG2%)
(( segid "SAP" and resid 200 and name HN ))
ASSI { 619}
(( segid "SAP" and resid 200 and name HN ))
(( segid "SAP" and resid 201 and name HN ))
2.800 1.000 1.000 peak 619 spectrum 1 weight 0.10000E+01 volume 0.46706E-02 ppm1 8.621 ppm2 8.453 CV 1
ASSI { 621}
(( segid "SAP" and resid 200 and name HA ))
(( segid "SAP" and resid 201 and name HN ))
4.100 2.100 1.900 peak 621 spectrum 1 weight 0.10000E+01 volume 0.69069E-03 ppm1 8.622 ppm2 4.989 CV 1
ASSI { 622}
(( segid "SAP" and resid 197 and name HA ))
(( segid "SAP" and resid 201 and name HN ))
3.300 1.400 1.400 peak 622 spectrum 1 weight 0.10000E+01 volume 0.23042E-02 ppm1 8.624 ppm2 3.834 CV 1
OR { 622}
(( segid "SAP" and resid 198 and name HA ))
(( segid "SAP" and resid 201 and name HN ))
ASSI { 623}
(( segid "SAP" and resid 200 and name HB1 ))
(( segid "SAP" and resid 201 and name HN ))
2.500 0.800 0.800 peak 623 spectrum 1 weight 0.10000E+01 volume 0.49763E-02 ppm1 8.624 ppm2 3.621 CV 1
OR { 623}
(( segid "SAP" and resid 201 and name HA ))
(( segid "SAP" and resid 201 and name HN ))
ASSI { 624}
(( segid "SAP" and resid 201 and name HB ))
(( segid "SAP" and resid 201 and name HN ))
2.500 0.800 0.800 peak 624 spectrum 1 weight 0.10000E+01 volume 0.83222E-02 ppm1 8.624 ppm2 2.020 CV 1
ASSI { 625}
(( segid "SAP" and resid 201 and name HG12))
(( segid "SAP" and resid 201 and name HN ))
3.700 1.800 1.800 peak 625 spectrum 1 weight 0.10000E+01 volume 0.38214E-02 ppm1 8.625 ppm2 1.325 CV 1
ASSI { 626}
( segid "SAP" and resid 201 and name HD1%)
(( segid "SAP" and resid 201 and name HN ))
3.300 1.400 1.400 peak 626 spectrum 1 weight 0.10000E+01 volume 0.71333E-02 ppm1 8.624 ppm2 1.026 CV 1
OR { 626}
( segid "SAP" and resid 201 and name HG2%)
(( segid "SAP" and resid 201 and name HN ))
ASSI { 627}
(( segid "SAP" and resid 201 and name HN ))
(( segid "SAP" and resid 202 and name HN ))
2.700 0.900 0.900 peak 627 spectrum 1 weight 0.10000E+01 volume 0.49084E-02 ppm1 7.996 ppm2 8.633 CV 1
ASSI { 628}
(( segid "SAP" and resid 203 and name HN ))
(( segid "SAP" and resid 202 and name HN ))
2.600 0.900 0.900 peak 628 spectrum 1 weight 0.10000E+01 volume 0.65672E-02 ppm1 7.997 ppm2 8.477 CV 1
ASSI { 629}
( segid "SAP" and resid 202 and name HD% )
(( segid "SAP" and resid 202 and name HN ))
3.900 1.900 1.900 peak 629 spectrum 1 weight 0.10000E+01 volume 0.12115E-02 ppm1 8.003 ppm2 7.171 CV 1
ASSI { 630}
(( segid "SAP" and resid 202 and name HA ))
(( segid "SAP" and resid 202 and name HN ))
2.500 0.800 0.800 peak 630 spectrum 1 weight 0.10000E+01 volume 0.99074E-02 ppm1 7.998 ppm2 4.191 CV 1
ASSI { 631}
(( segid "SAP" and resid 203 and name HB2 ))
(( segid "SAP" and resid 202 and name HN ))
4.300 2.300 1.700 peak 631 spectrum 1 weight 0.10000E+01 volume 0.10870E-02 ppm1 7.998 ppm2 4.001 CV 1
ASSI { 632}
(( segid "SAP" and resid 198 and name HA ))
(( segid "SAP" and resid 202 and name HN ))
3.700 1.700 1.700 peak 632 spectrum 1 weight 0.10000E+01 volume 0.12512E-02 ppm1 7.997 ppm2 3.863 CV 1
ASSI { 633}
(( segid "SAP" and resid 201 and name HA ))
(( segid "SAP" and resid 202 and name HN ))
3.600 1.600 1.600 peak 633 spectrum 1 weight 0.10000E+01 volume 0.15399E-02 ppm1 8.000 ppm2 3.617 CV 1
OR { 633}
(( segid "SAP" and resid 200 and name HB1 ))
(( segid "SAP" and resid 202 and name HN ))
ASSI { 634}
(( segid "SAP" and resid 202 and name HB2 ))
(( segid "SAP" and resid 202 and name HN ))
2.200 0.600 0.600 peak 634 spectrum 1 weight 0.10000E+01 volume 0.20041E-01 ppm1 7.998 ppm2 3.163 CV 1
OR { 634}
(( segid "SAP" and resid 202 and name HB1 ))
(( segid "SAP" and resid 202 and name HN ))
ASSI { 635}
(( segid "SAP" and resid 201 and name HB ))
(( segid "SAP" and resid 202 and name HN ))
2.700 0.900 0.900 peak 635 spectrum 1 weight 0.10000E+01 volume 0.48518E-02 ppm1 7.998 ppm2 2.021 CV 1
ASSI { 636}
( segid "SAP" and resid 201 and name HG2%)
(( segid "SAP" and resid 202 and name HN ))
3.100 1.200 1.200 peak 636 spectrum 1 weight 0.10000E+01 volume 0.43989E-02 ppm1 7.998 ppm2 1.023 CV 1
ASSI { 638}
(( segid "SAP" and resid 204 and name HN ))
(( segid "SAP" and resid 203 and name HN ))
2.700 0.900 0.900 peak 638 spectrum 1 weight 0.10000E+01 volume 0.57746E-02 ppm1 8.485 ppm2 7.819 CV 1
ASSI { 639}
( segid "SAP" and resid 202 and name HD% )
(( segid "SAP" and resid 203 and name HN ))
4.100 2.100 1.900 peak 639 spectrum 1 weight 0.10000E+01 volume 0.93979E-03 ppm1 8.484 ppm2 7.182 CV 1
ASSI { 640}
(( segid "SAP" and resid 200 and name HA ))
(( segid "SAP" and resid 203 and name HN ))
3.500 1.600 1.600 peak 640 spectrum 1 weight 0.10000E+01 volume 0.13644E-02 ppm1 8.486 ppm2 4.992 CV 1
ASSI { 641}
(( segid "SAP" and resid 203 and name HB1 ))
(( segid "SAP" and resid 203 and name HN ))
2.700 0.900 0.900 peak 641 spectrum 1 weight 0.10000E+01 volume 0.82656E-02 ppm1 8.488 ppm2 4.279 CV 1
ASSI { 642}
(( segid "SAP" and resid 203 and name HA ))
(( segid "SAP" and resid 203 and name HN ))
2.500 0.800 0.800 peak 642 spectrum 1 weight 0.10000E+01 volume 0.10926E-01 ppm1 8.486 ppm2 4.155 CV 1
OR { 642}
(( segid "SAP" and resid 202 and name HA ))
(( segid "SAP" and resid 203 and name HN ))
ASSI { 643}
(( segid "SAP" and resid 202 and name HB1 ))
(( segid "SAP" and resid 203 and name HN ))
2.700 0.900 0.900 peak 643 spectrum 1 weight 0.10000E+01 volume 0.79825E-02 ppm1 8.486 ppm2 3.159 CV 1
OR { 643}
(( segid "SAP" and resid 202 and name HB2 ))
(( segid "SAP" and resid 203 and name HN ))
ASSI { 644}
( segid "SAP" and resid 204 and name HG1%)
(( segid "SAP" and resid 203 and name HN ))
4.900 2.900 1.100 peak 644 spectrum 1 weight 0.10000E+01 volume 0.94545E-03 ppm1 8.490 ppm2 0.316 CV 1
ASSI { 645}
(( segid "SAP" and resid 204 and name HG2%))
(( segid "SAP" and resid 203 and name HN ))
5.400 5.400 0.600 peak 645 spectrum 1 weight 0.10000E+01 volume 0.30062E-03 ppm1 8.489 ppm2 -0.026 CV 1
ASSI { 647}
(( segid "SAP" and resid 203 and name HA ))
(( segid "SAP" and resid 204 and name HN ))
3.200 1.300 1.300 peak 647 spectrum 1 weight 0.10000E+01 volume 0.34591E-02 ppm1 7.831 ppm2 4.136 CV 1
OR { 647}
(( segid "SAP" and resid 202 and name HA ))
(( segid "SAP" and resid 204 and name HN ))
ASSI { 648}
(( segid "SAP" and resid 204 and name HA ))
(( segid "SAP" and resid 204 and name HN ))
2.700 0.900 0.900 peak 648 spectrum 1 weight 0.10000E+01 volume 0.65106E-02 ppm1 7.829 ppm2 3.593 CV 1
ASSI { 649}
(( segid "SAP" and resid 204 and name HB ))
(( segid "SAP" and resid 204 and name HN ))
2.400 0.700 0.700 peak 649 spectrum 1 weight 0.10000E+01 volume 0.11493E-01 ppm1 7.830 ppm2 1.560 CV 1
ASSI { 650}
( segid "SAP" and resid 201 and name HG2%)
(( segid "SAP" and resid 204 and name HN ))
4.600 2.600 1.400 peak 650 spectrum 1 weight 0.10000E+01 volume 0.57180E-03 ppm1 7.828 ppm2 1.040 CV 1
OR { 650}
( segid "SAP" and resid 201 and name HD1%)
(( segid "SAP" and resid 204 and name HN ))
ASSI { 651}
(( segid "SAP" and resid 206 and name HN ))
(( segid "SAP" and resid 205 and name HN ))
2.400 0.700 0.700 peak 651 spectrum 1 weight 0.10000E+01 volume 0.11493E-01 ppm1 7.966 ppm2 7.771 CV 1
ASSI { 652}
(( segid "SAP" and resid 202 and name HA ))
(( segid "SAP" and resid 205 and name HN ))
3.300 1.400 1.400 peak 652 spectrum 1 weight 0.10000E+01 volume 0.25193E-02 ppm1 7.959 ppm2 4.154 CV 1
OR { 652}
(( segid "SAP" and resid 203 and name HA ))
(( segid "SAP" and resid 205 and name HN ))
ASSI { 653}
(( segid "SAP" and resid 204 and name HA ))
(( segid "SAP" and resid 205 and name HN ))
3.200 1.300 1.300 peak 653 spectrum 1 weight 0.10000E+01 volume 0.27061E-02 ppm1 7.963 ppm2 3.578 CV 1
ASSI { 654}
(( segid "SAP" and resid 205 and name HB2 ))
(( segid "SAP" and resid 205 and name HN ))
2.200 0.600 0.600 peak 654 spectrum 1 weight 0.10000E+01 volume 0.20494E-01 ppm1 7.967 ppm2 1.815 CV 1
OR { 654}
(( segid "SAP" and resid 205 and name HB1 ))
(( segid "SAP" and resid 205 and name HN ))
ASSI { 655}
(( segid "SAP" and resid 204 and name HB ))
(( segid "SAP" and resid 205 and name HN ))
2.400 0.700 0.700 peak 655 spectrum 1 weight 0.10000E+01 volume 0.10360E-01 ppm1 7.966 ppm2 1.563 CV 1
ASSI { 656}
( segid "SAP" and resid 204 and name HG1%)
(( segid "SAP" and resid 205 and name HN ))
3.600 1.700 1.700 peak 656 spectrum 1 weight 0.10000E+01 volume 0.22362E-02 ppm1 7.965 ppm2 0.310 CV 1
ASSI { 657}
( segid "SAP" and resid 204 and name HG2%)
(( segid "SAP" and resid 205 and name HN ))
3.800 3.800 2.200 peak 657 spectrum 1 weight 0.10000E+01 volume 0.25306E-02 ppm1 7.964 ppm2 -0.021 CV 1
ASSI { 659}
(( segid "SAP" and resid 202 and name HA ))
(( segid "SAP" and resid 206 and name HN ))
3.400 1.500 1.500 peak 659 spectrum 1 weight 0.10000E+01 volume 0.18682E-02 ppm1 7.774 ppm2 4.171 CV 1
ASSI { 660}
(( segid "SAP" and resid 204 and name HA ))
(( segid "SAP" and resid 206 and name HN ))
4.300 2.300 1.700 peak 660 spectrum 1 weight 0.10000E+01 volume 0.49254E-03 ppm1 7.770 ppm2 3.554 CV 1
ASSI { 662}
(( segid "SAP" and resid 206 and name HB2 ))
(( segid "SAP" and resid 206 and name HN ))
2.400 0.700 0.700 peak 662 spectrum 1 weight 0.10000E+01 volume 0.95677E-02 ppm1 7.774 ppm2 2.429 CV 1
ASSI { 663}
(( segid "SAP" and resid 205 and name HB2 ))
(( segid "SAP" and resid 206 and name HN ))
2.800 1.000 1.000 peak 663 spectrum 1 weight 0.10000E+01 volume 0.70201E-02 ppm1 7.775 ppm2 1.812 CV 1
OR { 663}
(( segid "SAP" and resid 205 and name HB1 ))
(( segid "SAP" and resid 206 and name HN ))
ASSI { 664}
(( segid "SAP" and resid 205 and name HG2 ))
(( segid "SAP" and resid 206 and name HN ))
3.900 1.900 1.900 peak 664 spectrum 1 weight 0.10000E+01 volume 0.13927E-02 ppm1 7.774 ppm2 1.601 CV 1
ASSI { 665}
(( segid "SAP" and resid 134 and name HB1 ))
(( segid "SAP" and resid 134 and name HN ))
3.300 1.400 1.400 peak 665 spectrum 1 weight 0.10000E+01 volume 0.30458E-02 ppm1 8.209 ppm2 2.681 CV 1
ASSI { 666}
(( segid "SAP" and resid 134 and name HB2 ))
(( segid "SAP" and resid 134 and name HN ))
4.400 2.400 1.600 peak 666 spectrum 1 weight 0.10000E+01 volume 0.43423E-03 ppm1 8.209 ppm2 2.568 CV 1
ASSI { 667}
(( segid "SAP" and resid 134 and name HB1 ))
(( segid "SAP" and resid 135 and name HN ))
4.500 2.500 1.500 peak 667 spectrum 1 weight 0.10000E+01 volume 0.37478E-03 ppm1 8.369 ppm2 2.667 CV 1
ASSI { 668}
(( segid "SAP" and resid 135 and name HA2 ))
(( segid "SAP" and resid 135 and name HN ))
2.900 1.000 1.000 peak 668 spectrum 1 weight 0.10000E+01 volume 0.57746E-02 ppm1 8.362 ppm2 3.940 CV 1
OR { 668}
(( segid "SAP" and resid 135 and name HA1 ))
(( segid "SAP" and resid 135 and name HN ))
ASSI { 669}
(( segid "SAP" and resid 136 and name HA1 ))
(( segid "SAP" and resid 136 and name HN ))
2.800 1.000 1.000 peak 669 spectrum 1 weight 0.10000E+01 volume 0.67936E-02 ppm1 8.248 ppm2 3.941 CV 1
OR { 669}
(( segid "SAP" and resid 136 and name HA2 ))
(( segid "SAP" and resid 136 and name HN ))
OR { 669}
(( segid "SAP" and resid 135 and name HA2 ))
(( segid "SAP" and resid 136 and name HN ))
OR { 669}
(( segid "SAP" and resid 135 and name HA1 ))
(( segid "SAP" and resid 136 and name HN ))
ASSI { 670}
(( segid "SAP" and resid 137 and name HB1 ))
(( segid "SAP" and resid 137 and name HN ))
3.300 1.300 1.300 peak 670 spectrum 1 weight 0.10000E+01 volume 0.33402E-02 ppm1 8.227 ppm2 2.641 CV 1
ASSI { 673}
(( segid "SAP" and resid 141 and name HG1 ))
(( segid "SAP" and resid 141 and name HE21))
4.200 2.200 1.800 peak 673 spectrum 1 weight 0.10000E+01 volume 0.42347E-03 ppm1 7.474 ppm2 2.329 CV 1
OR { 673}
(( segid "SAP" and resid 141 and name HG2 ))
(( segid "SAP" and resid 141 and name HE21))
ASSI { 674}
(( segid "SAP" and resid 141 and name HG1 ))
(( segid "SAP" and resid 141 and name HE22))
5.900 4.300 0.100 peak 674 spectrum 1 weight 0.10000E+01 volume 0.20551E-03 ppm1 6.793 ppm2 2.316 CV 1
OR { 674}
(( segid "SAP" and resid 141 and name HG2 ))
(( segid "SAP" and resid 141 and name HE22))
ASSI { 675}
(( segid "SAP" and resid 142 and name HB1 ))
(( segid "SAP" and resid 142 and name HN ))
3.200 1.300 1.300 peak 675 spectrum 1 weight 0.10000E+01 volume 0.34591E-02 ppm1 8.349 ppm2 2.689 CV 1
ASSI { 676}
(( segid "SAP" and resid 142 and name HB2 ))
(( segid "SAP" and resid 142 and name HN ))
2.900 1.000 1.000 peak 676 spectrum 1 weight 0.10000E+01 volume 0.51065E-02 ppm1 8.347 ppm2 2.532 CV 1
ASSI { 677}
(( segid "SAP" and resid 142 and name HB1 ))
(( segid "SAP" and resid 143 and name HN ))
3.300 1.400 1.400 peak 677 spectrum 1 weight 0.10000E+01 volume 0.30402E-02 ppm1 8.022 ppm2 2.685 CV 1
ASSI { 678}
(( segid "SAP" and resid 142 and name HB2 ))
(( segid "SAP" and resid 143 and name HN ))
3.500 1.600 1.600 peak 678 spectrum 1 weight 0.10000E+01 volume 0.24400E-02 ppm1 8.022 ppm2 2.541 CV 1
ASSI { 679}
(( segid "SAP" and resid 144 and name HB1 ))
(( segid "SAP" and resid 144 and name HN ))
2.700 0.900 0.900 peak 679 spectrum 1 weight 0.10000E+01 volume 0.64540E-02 ppm1 8.319 ppm2 2.659 CV 1
ASSI { 680}
(( segid "SAP" and resid 144 and name HB2 ))
(( segid "SAP" and resid 144 and name HN ))
2.500 0.800 0.800 peak 680 spectrum 1 weight 0.10000E+01 volume 0.10870E-01 ppm1 8.320 ppm2 2.541 CV 1
ASSI { 681}
(( segid "SAP" and resid 144 and name HB1 ))
(( segid "SAP" and resid 145 and name HN ))
2.700 0.900 0.900 peak 681 spectrum 1 weight 0.10000E+01 volume 0.58312E-02 ppm1 8.081 ppm2 2.601 CV 1
ASSI { 686}
(( segid "SAP" and resid 150 and name HB1 ))
(( segid "SAP" and resid 150 and name HN ))
3.400 1.500 1.500 peak 686 spectrum 1 weight 0.10000E+01 volume 0.45234E-02 ppm1 8.373 ppm2 1.479 CV 1
ASSI { 687}
(( segid "SAP" and resid 150 and name HB2 ))
(( segid "SAP" and resid 150 and name HN ))
2.700 0.900 0.900 peak 687 spectrum 1 weight 0.10000E+01 volume 0.36063E-02 ppm1 8.372 ppm2 1.081 CV 1
ASSI { 690}
(( segid "SAP" and resid 151 and name HB1 ))
(( segid "SAP" and resid 152 and name HN ))
3.100 1.200 1.200 peak 690 spectrum 1 weight 0.10000E+01 volume 0.25363E-02 ppm1 7.101 ppm2 3.196 CV 1
ASSI { 691}
(( segid "SAP" and resid 151 and name HB2 ))
(( segid "SAP" and resid 152 and name HN ))
3.900 1.900 1.900 peak 691 spectrum 1 weight 0.10000E+01 volume 0.22645E-02 ppm1 7.099 ppm2 3.029 CV 1
ASSI { 692}
(( segid "SAP" and resid 152 and name HB1 ))
(( segid "SAP" and resid 152 and name HN ))
2.700 0.900 0.900 peak 692 spectrum 1 weight 0.10000E+01 volume 0.62275E-02 ppm1 7.101 ppm2 2.106 CV 1
ASSI { 693}
(( segid "SAP" and resid 152 and name HB2 ))
(( segid "SAP" and resid 152 and name HN ))
2.900 1.000 1.000 peak 693 spectrum 1 weight 0.10000E+01 volume 0.70767E-02 ppm1 7.102 ppm2 1.939 CV 1
ASSI { 694}
(( segid "SAP" and resid 153 and name HA ))
(( segid "SAP" and resid 153 and name HN ))
2.900 1.100 1.100 peak 694 spectrum 1 weight 0.10000E+01 volume 0.37591E-02 ppm1 7.176 ppm2 4.442 CV 1
ASSI { 695}
(( segid "SAP" and resid 153 and name HB2 ))
(( segid "SAP" and resid 153 and name HN ))
2.700 0.900 0.900 peak 695 spectrum 1 weight 0.10000E+01 volume 0.54123E-02 ppm1 7.177 ppm2 1.192 CV 1
ASSI { 696}
(( segid "SAP" and resid 157 and name HA ))
(( segid "SAP" and resid 157 and name HN ))
2.800 1.000 1.000 peak 696 spectrum 1 weight 0.10000E+01 volume 0.47725E-02 ppm1 7.457 ppm2 4.154 CV 1
ASSI { 697}
(( segid "SAP" and resid 157 and name HB ))
(( segid "SAP" and resid 158 and name HN ))
2.900 1.100 1.100 peak 697 spectrum 1 weight 0.10000E+01 volume 0.32326E-02 ppm1 7.720 ppm2 4.418 CV 1
ASSI { 698}
(( segid "SAP" and resid 158 and name HA ))
(( segid "SAP" and resid 158 and name HN ))
2.900 1.100 1.100 peak 698 spectrum 1 weight 0.10000E+01 volume 0.34987E-02 ppm1 7.718 ppm2 3.921 CV 1
ASSI { 699}
(( segid "SAP" and resid 158 and name HB2 ))
(( segid "SAP" and resid 158 and name HN ))
2.700 0.900 0.900 peak 699 spectrum 1 weight 0.10000E+01 volume 0.32270E-02 ppm1 7.717 ppm2 1.190 CV 1
ASSI { 700}
( segid "SAP" and resid 178 and name HD1%)
(( segid "SAP" and resid 159 and name HN ))
3.200 1.300 1.300 peak 700 spectrum 1 weight 0.10000E+01 volume 0.24797E-02 ppm1 8.653 ppm2 0.795 CV 1
OR { 700}
( segid "SAP" and resid 178 and name HD2%)
(( segid "SAP" and resid 159 and name HN ))
ASSI { 701}
(( segid "SAP" and resid 159 and name HD1 ))
(( segid "SAP" and resid 159 and name HN ))
3.500 1.500 1.500 peak 701 spectrum 1 weight 0.10000E+01 volume 0.21626E-02 ppm1 8.652 ppm2 3.182 CV 1
OR { 701}
(( segid "SAP" and resid 159 and name HD2 ))
(( segid "SAP" and resid 159 and name HN ))
ASSI { 702}
(( segid "SAP" and resid 160 and name HA ))
(( segid "SAP" and resid 160 and name HN ))
2.600 0.800 0.800 peak 702 spectrum 1 weight 0.10000E+01 volume 0.84920E-02 ppm1 7.837 ppm2 3.999 CV 1
ASSI { 703}
(( segid "SAP" and resid 160 and name HB1 ))
(( segid "SAP" and resid 160 and name HN ))
2.400 0.700 0.700 peak 703 spectrum 1 weight 0.10000E+01 volume 0.12738E-01 ppm1 7.836 ppm2 2.223 CV 1
ASSI { 704}
(( segid "SAP" and resid 160 and name HB2 ))
(( segid "SAP" and resid 160 and name HN ))
2.300 0.700 0.700 peak 704 spectrum 1 weight 0.10000E+01 volume 0.12512E-01 ppm1 7.836 ppm2 2.113 CV 1
ASSI { 705}
( segid "SAP" and resid 161 and name HD% )
(( segid "SAP" and resid 161 and name HN ))
4.400 2.400 1.600 peak 705 spectrum 1 weight 0.10000E+01 volume 0.12342E-02 ppm1 8.492 ppm2 6.717 CV 1
ASSI { 708}
(( segid "SAP" and resid 162 and name HA ))
(( segid "SAP" and resid 162 and name HN ))
2.400 0.700 0.700 peak 708 spectrum 1 weight 0.10000E+01 volume 0.13531E-01 ppm1 8.200 ppm2 3.961 CV 1
OR { 708}
(( segid "SAP" and resid 159 and name HA ))
(( segid "SAP" and resid 162 and name HN ))
OR { 708}
(( segid "SAP" and resid 162 and name HA ))
(( segid "SAP" and resid 163 and name HN ))
OR { 708}
(( segid "SAP" and resid 160 and name HA ))
(( segid "SAP" and resid 163 and name HN ))
ASSI { 709}
(( segid "SAP" and resid 162 and name HB2 ))
(( segid "SAP" and resid 162 and name HN ))
2.400 0.700 0.700 peak 709 spectrum 1 weight 0.10000E+01 volume 0.12115E-01 ppm1 8.204 ppm2 2.111 CV 1
OR { 709}
(( segid "SAP" and resid 162 and name HB2 ))
(( segid "SAP" and resid 163 and name HN ))
OR { 709}
(( segid "SAP" and resid 162 and name HB1 ))
(( segid "SAP" and resid 162 and name HN ))
ASSI { 710}
(( segid "SAP" and resid 163 and name HD1 ))
(( segid "SAP" and resid 163 and name HN ))
4.000 2.000 2.000 peak 710 spectrum 1 weight 0.10000E+01 volume 0.14889E-02 ppm1 8.184 ppm2 3.215 CV 1
ASSI { 713}
(( segid "SAP" and resid 165 and name HA ))
(( segid "SAP" and resid 165 and name HN ))
2.900 1.000 1.000 peak 713 spectrum 1 weight 0.10000E+01 volume 0.49594E-02 ppm1 7.787 ppm2 4.322 CV 1
ASSI { 714}
(( segid "SAP" and resid 168 and name HB1 ))
(( segid "SAP" and resid 169 and name HN ))
3.500 1.600 1.600 peak 714 spectrum 1 weight 0.10000E+01 volume 0.47442E-02 ppm1 8.088 ppm2 2.178 CV 1
ASSI { 715}
(( segid "SAP" and resid 168 and name HB2 ))
(( segid "SAP" and resid 169 and name HN ))
3.500 1.500 1.500 peak 715 spectrum 1 weight 0.10000E+01 volume 0.26835E-02 ppm1 8.085 ppm2 1.928 CV 1
ASSI { 716}
(( segid "SAP" and resid 172 and name HA1 ))
(( segid "SAP" and resid 173 and name HN ))
3.600 1.600 1.600 peak 716 spectrum 1 weight 0.10000E+01 volume 0.29949E-02 ppm1 7.510 ppm2 3.927 CV 1
ASSI { 717}
(( segid "SAP" and resid 172 and name HA2 ))
(( segid "SAP" and resid 173 and name HN ))
3.000 1.200 1.200 peak 717 spectrum 1 weight 0.10000E+01 volume 0.30515E-02 ppm1 7.509 ppm2 3.760 CV 1
ASSI { 718}
(( segid "SAP" and resid 173 and name HA ))
(( segid "SAP" and resid 174 and name HN ))
2.000 0.500 0.500 peak 718 spectrum 1 weight 0.10000E+01 volume 0.19079E-01 ppm1 8.442 ppm2 4.309 CV 1
ASSI { 719}
( segid "SAP" and resid 173 and name HD1%)
(( segid "SAP" and resid 174 and name HN ))
3.700 1.700 1.700 peak 719 spectrum 1 weight 0.10000E+01 volume 0.23891E-02 ppm1 8.441 ppm2 0.855 CV 1
ASSI { 720}
( segid "SAP" and resid 173 and name HD2%)
(( segid "SAP" and resid 174 and name HN ))
2.900 1.100 1.100 peak 720 spectrum 1 weight 0.10000E+01 volume 0.96809E-02 ppm1 8.448 ppm2 0.721 CV 1
ASSI { 721}
(( segid "SAP" and resid 174 and name HB1 ))
(( segid "SAP" and resid 174 and name HN ))
3.300 1.300 1.300 peak 721 spectrum 1 weight 0.10000E+01 volume 0.21966E-02 ppm1 8.443 ppm2 3.278 CV 1
ASSI { 722}
(( segid "SAP" and resid 174 and name HB2 ))
(( segid "SAP" and resid 174 and name HN ))
2.900 1.000 1.000 peak 722 spectrum 1 weight 0.10000E+01 volume 0.31137E-02 ppm1 8.442 ppm2 2.918 CV 1
ASSI { 723}
( segid "SAP" and resid 176 and name HB% )
(( segid "SAP" and resid 177 and name HN ))
2.600 0.900 0.900 peak 723 spectrum 1 weight 0.10000E+01 volume 0.97942E-02 ppm1 8.287 ppm2 1.512 CV 1
ASSI { 724}
(( segid "SAP" and resid 177 and name HB2 ))
(( segid "SAP" and resid 177 and name HN ))
2.400 2.400 3.600 peak 724 spectrum 1 weight 0.10000E+01 volume 0.60577E-02 ppm1 8.286 ppm2 1.966 CV 1
ASSI { 725}
(( segid "SAP" and resid 177 and name HB1 ))
(( segid "SAP" and resid 178 and name HN ))
3.400 1.400 1.400 peak 725 spectrum 1 weight 0.10000E+01 volume 0.33232E-02 ppm1 8.362 ppm2 2.278 CV 1
ASSI { 726}
(( segid "SAP" and resid 179 and name HA ))
(( segid "SAP" and resid 179 and name HN ))
2.900 1.000 1.000 peak 726 spectrum 1 weight 0.10000E+01 volume 0.34874E-02 ppm1 8.736 ppm2 3.160 CV 1
ASSI { 727}
( segid "SAP" and resid 179 and name HG1%)
(( segid "SAP" and resid 179 and name HN ))
3.100 1.200 1.200 peak 727 spectrum 1 weight 0.10000E+01 volume 0.10926E-01 ppm1 8.736 ppm2 0.591 CV 1
ASSI { 728}
( segid "SAP" and resid 179 and name HG2%)
(( segid "SAP" and resid 179 and name HN ))
2.700 0.900 0.900 peak 728 spectrum 1 weight 0.10000E+01 volume 0.42970E-02 ppm1 8.736 ppm2 0.462 CV 1
ASSI { 729}
( segid "SAP" and resid 182 and name HG2%)
(( segid "SAP" and resid 182 and name HN ))
2.900 1.000 1.000 peak 729 spectrum 1 weight 0.10000E+01 volume 0.31194E-02 ppm1 8.564 ppm2 -0.198 CV 1
ASSI { 730}
( segid "SAP" and resid 182 and name HG1%)
(( segid "SAP" and resid 183 and name HN ))
3.500 1.500 1.500 peak 730 spectrum 1 weight 0.10000E+01 volume 0.23268E-02 ppm1 8.944 ppm2 0.767 CV 1
ASSI { 731}
( segid "SAP" and resid 182 and name HG2%)
(( segid "SAP" and resid 183 and name HN ))
4.000 2.000 2.000 peak 731 spectrum 1 weight 0.10000E+01 volume 0.22929E-02 ppm1 8.950 ppm2 -0.196 CV 1
ASSI { 732}
(( segid "SAP" and resid 183 and name HA2 ))
(( segid "SAP" and resid 183 and name HN ))
2.900 1.000 1.000 peak 732 spectrum 1 weight 0.10000E+01 volume 0.63407E-02 ppm1 8.949 ppm2 3.587 CV 1
ASSI { 733}
(( segid "SAP" and resid 183 and name HA2 ))
(( segid "SAP" and resid 184 and name HN ))
3.300 1.300 1.300 peak 733 spectrum 1 weight 0.10000E+01 volume 0.35497E-02 ppm1 7.624 ppm2 3.591 CV 1
ASSI { 734}
(( segid "SAP" and resid 186 and name HA ))
(( segid "SAP" and resid 189 and name HN ))
3.600 1.600 1.600 peak 734 spectrum 1 weight 0.10000E+01 volume 0.24117E-02 ppm1 7.131 ppm2 4.056 CV 1
OR { 734}
(( segid "SAP" and resid 190 and name HD1 ))
(( segid "SAP" and resid 189 and name HN ))
ASSI { 736}
(( segid "SAP" and resid 194 and name HB2 ))
(( segid "SAP" and resid 194 and name HN ))
2.100 0.600 0.600 peak 736 spectrum 1 weight 0.10000E+01 volume 0.25136E-01 ppm1 8.437 ppm2 1.878 CV 1
OR { 736}
(( segid "SAP" and resid 194 and name HB1 ))
(( segid "SAP" and resid 194 and name HN ))
ASSI { 737}
(( segid "SAP" and resid 194 and name HD1 ))
(( segid "SAP" and resid 194 and name HN ))
3.700 1.800 1.800 peak 737 spectrum 1 weight 0.10000E+01 volume 0.28307E-02 ppm1 8.435 ppm2 1.673 CV 1
OR { 737}
(( segid "SAP" and resid 194 and name HD2 ))
(( segid "SAP" and resid 194 and name HN ))
ASSI { 738}
(( segid "SAP" and resid 194 and name HE1 ))
(( segid "SAP" and resid 194 and name HN ))
6.000 4.700 0.000 peak 738 spectrum 1 weight 0.10000E+01 volume 0.21173E-03 ppm1 8.434 ppm2 2.984 CV 1
OR { 738}
(( segid "SAP" and resid 194 and name HE2 ))
(( segid "SAP" and resid 194 and name HN ))
ASSI { 741}
(( segid "SAP" and resid 200 and name HA ))
(( segid "SAP" and resid 200 and name HN ))
3.100 1.200 1.200 peak 741 spectrum 1 weight 0.10000E+01 volume 0.28930E-02 ppm1 8.474 ppm2 4.973 CV 1
ASSI { 742}
(( segid "SAP" and resid 201 and name HG11))
(( segid "SAP" and resid 202 and name HN ))
4.700 2.800 1.300 peak 742 spectrum 1 weight 0.10000E+01 volume 0.69635E-03 ppm1 7.998 ppm2 2.204 CV 1
ASSI { 743}
( segid "SAP" and resid 204 and name HG1%)
(( segid "SAP" and resid 204 and name HN ))
3.200 1.300 1.300 peak 743 spectrum 1 weight 0.10000E+01 volume 0.97375E-02 ppm1 7.825 ppm2 0.319 CV 1
ASSI { 744}
( segid "SAP" and resid 204 and name HG2%)
(( segid "SAP" and resid 204 and name HN ))
2.800 2.800 3.200 peak 744 spectrum 1 weight 0.10000E+01 volume 0.40535E-02 ppm1 7.828 ppm2 -0.023 CV 1
ASSI { 746}
(( segid "SAP" and resid 206 and name HN ))
(( segid "SAP" and resid 206 and name HD22))
4.700 2.700 1.300 peak 746 spectrum 1 weight 0.10000E+01 volume 0.83788E-03 ppm1 6.698 ppm2 7.789 CV 1
ASSI { 747}
(( segid "SAP" and resid 206 and name HB1 ))
(( segid "SAP" and resid 206 and name HN ))
3.300 1.400 1.400 peak 747 spectrum 1 weight 0.10000E+01 volume 0.66238E-02 ppm1 7.773 ppm2 2.668 CV 1
ASSI { 748}
(( segid "SAP" and resid 206 and name HD21))
(( segid "SAP" and resid 206 and name HN ))
3.500 1.600 1.600 peak 748 spectrum 1 weight 0.10000E+01 volume 0.13814E-02 ppm1 7.772 ppm2 7.231 CV 1
ASSI { 750}
(( segid "SAP" and resid 209 and name HB2 ))
(( segid "SAP" and resid 209 and name HN ))
3.100 1.200 1.200 peak 750 spectrum 1 weight 0.10000E+01 volume 0.39120E-02 ppm1 8.336 ppm2 2.681 CV 1
ASSI { 751}
(( segid "SAP" and resid 210 and name HG2 ))
(( segid "SAP" and resid 210 and name HN ))
3.700 1.700 1.700 peak 751 spectrum 1 weight 0.10000E+01 volume 0.17494E-02 ppm1 8.058 ppm2 1.390 CV 1
OR { 751}
(( segid "SAP" and resid 210 and name HG1 ))
(( segid "SAP" and resid 210 and name HN ))
ASSI { 752}
(( segid "SAP" and resid 211 and name HB2 ))
(( segid "SAP" and resid 211 and name HN ))
3.600 1.600 1.600 peak 752 spectrum 1 weight 0.10000E+01 volume 0.15569E-02 ppm1 8.217 ppm2 3.840 CV 1
OR { 752}
(( segid "SAP" and resid 211 and name HB1 ))
(( segid "SAP" and resid 211 and name HN ))
ASSI { 753}
(( segid "SAP" and resid 212 and name HB1 ))
(( segid "SAP" and resid 212 and name HN ))
3.700 1.700 1.700 peak 753 spectrum 1 weight 0.10000E+01 volume 0.15059E-02 ppm1 8.289 ppm2 2.698 CV 1
ASSI { 754}
(( segid "SAP" and resid 212 and name HB2 ))
(( segid "SAP" and resid 212 and name HN ))
3.400 1.400 1.400 peak 754 spectrum 1 weight 0.10000E+01 volume 0.20494E-02 ppm1 8.290 ppm2 2.587 CV 1
ASSI { 755}
( segid "SAP" and resid 215 and name HB% )
(( segid "SAP" and resid 215 and name HN ))
3.400 1.400 1.400 peak 755 spectrum 1 weight 0.10000E+01 volume 0.25250E-02 ppm1 8.167 ppm2 1.362 CV 1
ASSI { 756}
(( segid "SAP" and resid 216 and name HB2 ))
(( segid "SAP" and resid 216 and name HN ))
3.600 1.600 1.600 peak 756 spectrum 1 weight 0.10000E+01 volume 0.17267E-02 ppm1 8.229 ppm2 2.671 CV 1
OR { 756}
(( segid "SAP" and resid 216 and name HB1 ))
(( segid "SAP" and resid 216 and name HN ))
ASSI { 757}
(( segid "SAP" and resid 218 and name HA2 ))
(( segid "SAP" and resid 218 and name HN ))
3.800 1.800 1.800 peak 757 spectrum 1 weight 0.10000E+01 volume 0.10926E-02 ppm1 8.417 ppm2 3.942 CV 1
OR { 757}
(( segid "SAP" and resid 218 and name HA1 ))
(( segid "SAP" and resid 218 and name HN ))
ASSI { 758}
(( segid "SAP" and resid 220 and name HB2 ))
(( segid "SAP" and resid 220 and name HN ))
4.000 2.100 2.000 peak 758 spectrum 1 weight 0.10000E+01 volume 0.62841E-03 ppm1 7.959 ppm2 3.027 CV 1
ASSI { 759}
(( segid "SAP" and resid 164 and name HA ))
(( segid "SAP" and resid 166 and name HN ))
2.600 2.600 3.400 peak 759 spectrum 1 weight 0.10000E+01 volume 0.95111E-02 ppm1 7.554 ppm2 3.953 CV 1
OR { 759}
(( segid "SAP" and resid 162 and name HA ))
(( segid "SAP" and resid 166 and name HN ))
ASSI { 762}
(( segid "SAP" and resid 163 and name HD2 ))
(( segid "SAP" and resid 163 and name HN ))
4.000 2.000 2.000 peak 762 spectrum 1 weight 0.10000E+01 volume 0.20098E-02 ppm1 8.201 ppm2 2.916 CV 1
OR { 762}
(( segid "SAP" and resid 164 and name HB1 ))
(( segid "SAP" and resid 163 and name HN ))
OR { 762}
(( segid "SAP" and resid 162 and name HE2 ))
(( segid "SAP" and resid 162 and name HN ))
OR { 762}
(( segid "SAP" and resid 162 and name HE1 ))
(( segid "SAP" and resid 162 and name HN ))
OR { 762}
(( segid "SAP" and resid 162 and name HE2 ))
(( segid "SAP" and resid 163 and name HN ))
ASSI { 763}
(( segid "SAP" and resid 157 and name HA ))
(( segid "SAP" and resid 161 and name HN ))
4.000 2.000 2.000 peak 763 spectrum 1 weight 0.10000E+01 volume 0.12965E-02 ppm1 8.487 ppm2 4.147 CV 1
ASSI { 764}
(( segid "SAP" and resid 163 and name HA ))
(( segid "SAP" and resid 167 and name HN ))
3.700 1.800 1.800 peak 764 spectrum 1 weight 0.10000E+01 volume 0.11436E-02 ppm1 8.282 ppm2 4.165 CV 1
ASSI { 765}
(( segid "SAP" and resid 196 and name HA ))
(( segid "SAP" and resid 199 and name HN ))
3.500 1.500 1.500 peak 765 spectrum 1 weight 0.10000E+01 volume 0.15852E-02 ppm1 8.011 ppm2 3.739 CV 1
ASSI { 766}
(( segid "SAP" and resid 201 and name HN ))
(( segid "SAP" and resid 199 and name HN ))
3.800 1.800 1.800 peak 766 spectrum 1 weight 0.10000E+01 volume 0.10530E-02 ppm1 8.007 ppm2 8.615 CV 1
ASSI { 767}
(( segid "SAP" and resid 147 and name HA ))
(( segid "SAP" and resid 147 and name HN ))
2.900 1.000 1.000 peak 767 spectrum 1 weight 0.10000E+01 volume 0.39913E-02 ppm1 7.752 ppm2 4.535 CV 1
ASSI { 768}
(( segid "SAP" and resid 171 and name HB1 ))
(( segid "SAP" and resid 173 and name HN ))
4.400 2.500 1.600 peak 768 spectrum 1 weight 0.10000E+01 volume 0.96809E-03 ppm1 7.509 ppm2 2.299 CV 1
ASSI { 769}
(( segid "SAP" and resid 175 and name HG1 ))
(( segid "SAP" and resid 176 and name HN ))
3.600 1.600 1.600 peak 769 spectrum 1 weight 0.10000E+01 volume 0.14720E-02 ppm1 8.207 ppm2 1.182 CV 1
ASSI { 770}
(( segid "SAP" and resid 175 and name HG2 ))
(( segid "SAP" and resid 176 and name HN ))
4.300 2.300 1.700 peak 770 spectrum 1 weight 0.10000E+01 volume 0.14436E-02 ppm1 8.210 ppm2 1.030 CV 1
ASSI { 771}
(( segid "SAP" and resid 206 and name HD21))
(( segid "SAP" and resid 207 and name HN ))
3.600 1.600 1.600 peak 771 spectrum 1 weight 0.10000E+01 volume 0.17437E-02 ppm1 7.823 ppm2 7.228 CV 1
ASSI { 772}
( segid "SAP" and resid 200 and name HE% )
(( segid "SAP" and resid 204 and name HN ))
4.400 2.400 1.600 peak 772 spectrum 1 weight 0.10000E+01 volume 0.96243E-03 ppm1 7.828 ppm2 7.082 CV 1
ASSI { 774}
(( segid "SAP" and resid 174 and name HD22))
(( segid "SAP" and resid 174 and name HN ))
4.400 2.500 1.600 peak 774 spectrum 1 weight 0.10000E+01 volume 0.71333E-03 ppm1 8.444 ppm2 6.841 CV 1
ASSI { 775}
(( segid "SAP" and resid 174 and name HD21))
(( segid "SAP" and resid 174 and name HN ))
3.800 1.800 1.800 peak 775 spectrum 1 weight 0.10000E+01 volume 0.79825E-03 ppm1 8.444 ppm2 7.389 CV 1
ASSI { 776}
(( segid "SAP" and resid 174 and name HA ))
(( segid "SAP" and resid 174 and name HN ))
2.900 1.000 1.000 peak 776 spectrum 1 weight 0.10000E+01 volume 0.29835E-02 ppm1 8.442 ppm2 4.769 CV 1
ASSI { 777}
(( segid "SAP" and resid 177 and name HA ))
(( segid "SAP" and resid 174 and name HN ))
4.900 3.000 1.100 peak 777 spectrum 1 weight 0.10000E+01 volume 0.11719E-02 ppm1 8.444 ppm2 4.054 CV 1
ASSI { 778}
(( segid "SAP" and resid 196 and name HA ))
(( segid "SAP" and resid 196 and name HN ))
2.900 1.000 1.000 peak 778 spectrum 1 weight 0.10000E+01 volume 0.53443E-02 ppm1 8.202 ppm2 3.756 CV 1
OR { 778}
(( segid "SAP" and resid 138 and name HB2 ))
(( segid "SAP" and resid 138 and name HN ))
ASSI { 779}
(( segid "SAP" and resid 195 and name HA ))
(( segid "SAP" and resid 196 and name HN ))
3.500 1.500 1.500 peak 779 spectrum 1 weight 0.10000E+01 volume 0.17720E-02 ppm1 8.199 ppm2 4.374 CV 1
ASSI { 780}
(( segid "SAP" and resid 193 and name HA ))
(( segid "SAP" and resid 196 and name HN ))
3.300 1.400 1.400 peak 780 spectrum 1 weight 0.10000E+01 volume 0.22532E-02 ppm1 8.199 ppm2 3.518 CV 1
ASSI { 782}
(( segid "SAP" and resid 141 and name HA ))
(( segid "SAP" and resid 143 and name HN ))
4.100 2.100 1.900 peak 782 spectrum 1 weight 0.10000E+01 volume 0.11493E-02 ppm1 8.021 ppm2 4.341 CV 1
ASSI { 784}
(( segid "SAP" and resid 168 and name HD2 ))
(( segid "SAP" and resid 167 and name HN ))
3.400 3.400 2.600 peak 784 spectrum 1 weight 0.10000E+01 volume 0.65672E-03 ppm1 8.275 ppm2 3.674 CV 1
ASSI { 785}
(( segid "SAP" and resid 174 and name HB1 ))
(( segid "SAP" and resid 176 and name HN ))
3.700 1.700 1.700 peak 785 spectrum 1 weight 0.10000E+01 volume 0.10190E-02 ppm1 8.203 ppm2 3.272 CV 1
ASSI { 786}
(( segid "SAP" and resid 174 and name HB2 ))
(( segid "SAP" and resid 176 and name HN ))
4.300 2.400 1.700 peak 786 spectrum 1 weight 0.10000E+01 volume 0.65672E-03 ppm1 8.210 ppm2 2.933 CV 1
ASSI { 788}
(( segid "SAP" and resid 192 and name HB1 ))
(( segid "SAP" and resid 196 and name HN ))
3.900 1.900 1.900 peak 788 spectrum 1 weight 0.10000E+01 volume 0.91148E-03 ppm1 8.199 ppm2 2.911 CV 1
ASSI { 789}
(( segid "SAP" and resid 198 and name HN ))
(( segid "SAP" and resid 196 and name HN ))
2.800 1.000 1.000 peak 789 spectrum 1 weight 0.10000E+01 volume 0.71333E-02 ppm1 8.202 ppm2 8.019 CV 1
OR { 789}
(( segid "SAP" and resid 199 and name HN ))
(( segid "SAP" and resid 196 and name HN ))
ASSI { 790}
(( segid "SAP" and resid 137 and name HB2 ))
(( segid "SAP" and resid 137 and name HN ))
3.300 1.400 1.400 peak 790 spectrum 1 weight 0.10000E+01 volume 0.26835E-02 ppm1 8.228 ppm2 2.567 CV 1
ASSI { 791}
(( segid "SAP" and resid 162 and name HA ))
(( segid "SAP" and resid 167 and name HN ))
3.000 1.100 1.100 peak 791 spectrum 1 weight 0.10000E+01 volume 0.46763E-02 ppm1 8.276 ppm2 3.942 CV 1
ASSI { 792}
(( segid "SAP" and resid 184 and name HA ))
(( segid "SAP" and resid 185 and name HN ))
3.200 1.300 1.300 peak 792 spectrum 1 weight 0.10000E+01 volume 0.33798E-02 ppm1 7.418 ppm2 4.140 CV 1
ASSI { 793}
(( segid "SAP" and resid 192 and name HA ))
(( segid "SAP" and resid 192 and name HN ))
3.600 1.600 1.600 peak 793 spectrum 1 weight 0.10000E+01 volume 0.11662E-02 ppm1 8.510 ppm2 4.771 CV 1
ASSI { 794}
( segid "SAP" and resid 150 and name HD1%)
(( segid "SAP" and resid 186 and name HN ))
4.100 2.100 1.900 peak 794 spectrum 1 weight 0.10000E+01 volume 0.14776E-02 ppm1 9.448 ppm2 0.414 CV 1
ASSI { 795}
( segid "SAP" and resid 143 and name HG2%)
(( segid "SAP" and resid 144 and name HN ))
3.300 1.400 1.400 peak 795 spectrum 1 weight 0.10000E+01 volume 0.45687E-02 ppm1 8.341 ppm2 0.923 CV 1
OR { 795}
( segid "SAP" and resid 140 and name HG2%)
(( segid "SAP" and resid 141 and name HN ))
OR { 795}
( segid "SAP" and resid 140 and name HG1%)
(( segid "SAP" and resid 141 and name HN ))
ASSI { 796}
(( segid "SAP" and resid 152 and name HN ))
(( segid "SAP" and resid 150 and name HN ))
4.400 2.400 1.600 peak 796 spectrum 1 weight 0.10000E+01 volume 0.10134E-02 ppm1 8.362 ppm2 7.093 CV 1
ASSI { 802}
( segid "SAP" and resid 197 and name HD2%)
(( segid "SAP" and resid 200 and name HN ))
5.200 5.200 0.800 peak 802 spectrum 1 weight 0.10000E+01 volume 0.31930E-03 ppm1 8.477 ppm2 -0.027 CV 1
OR { 802}
( segid "SAP" and resid 204 and name HG2%)
(( segid "SAP" and resid 200 and name HN ))
ASSI { 803}
(( segid "SAP" and resid 180 and name HB2 ))
(( segid "SAP" and resid 182 and name HN ))
4.300 2.300 1.700 peak 803 spectrum 1 weight 0.10000E+01 volume 0.11209E-02 ppm1 8.566 ppm2 2.138 CV 1
OR { 803}
(( segid "SAP" and resid 180 and name HB1 ))
(( segid "SAP" and resid 182 and name HN ))
OR { 803}
(( segid "SAP" and resid 162 and name HB1 ))
(( segid "SAP" and resid 182 and name HN ))
ASSI { 804}
( segid "SAP" and resid 158 and name HD2%)
(( segid "SAP" and resid 182 and name HN ))
4.200 2.200 1.800 peak 804 spectrum 1 weight 0.10000E+01 volume 0.17097E-02 ppm1 8.569 ppm2 0.645 CV 1
ASSI { 805}
(( segid "SAP" and resid 173 and name HA ))
(( segid "SAP" and resid 178 and name HN ))
5.400 3.700 0.600 peak 805 spectrum 1 weight 0.10000E+01 volume 0.51405E-03 ppm1 8.362 ppm2 4.314 CV 1
ASSI { 806}
( segid "SAP" and resid 179 and name HG2%)
(( segid "SAP" and resid 178 and name HN ))
5.200 3.400 0.800 peak 806 spectrum 1 weight 0.10000E+01 volume 0.39856E-03 ppm1 8.362 ppm2 0.483 CV 1
ASSI { 807}
(( segid "SAP" and resid 209 and name HB1 ))
(( segid "SAP" and resid 210 and name HN ))
4.300 2.300 1.700 peak 807 spectrum 1 weight 0.10000E+01 volume 0.45970E-03 ppm1 8.054 ppm2 2.855 CV 1
ASSI { 808}
(( segid "SAP" and resid 166 and name HN ))
(( segid "SAP" and resid 164 and name HN ))
4.100 2.100 1.900 peak 808 spectrum 1 weight 0.10000E+01 volume 0.67370E-03 ppm1 8.832 ppm2 7.551 CV 1
ASSI { 809}
(( segid "SAP" and resid 193 and name HG2 ))
(( segid "SAP" and resid 197 and name HN ))
4.500 2.500 1.500 peak 809 spectrum 1 weight 0.10000E+01 volume 0.77561E-03 ppm1 8.484 ppm2 2.046 CV 1
OR { 809}
(( segid "SAP" and resid 193 and name HB1 ))
(( segid "SAP" and resid 197 and name HN ))
OR { 809}
(( segid "SAP" and resid 193 and name HB2 ))
(( segid "SAP" and resid 197 and name HN ))
ASSI { 813}
(( segid "SAP" and resid 177 and name HG1 ))
(( segid "SAP" and resid 174 and name HN ))
3.100 1.200 1.200 peak 813 spectrum 1 weight 0.10000E+01 volume 0.24061E-02 ppm1 8.439 ppm2 2.655 CV 1
ASSI { 814}
(( segid "SAP" and resid 177 and name HG2 ))
(( segid "SAP" and resid 174 and name HN ))
3.500 1.500 1.500 peak 814 spectrum 1 weight 0.10000E+01 volume 0.32949E-02 ppm1 8.437 ppm2 2.424 CV 1
ASSI { 815}
(( segid "SAP" and resid 177 and name HB1 ))
(( segid "SAP" and resid 174 and name HN ))
3.400 3.400 2.600 peak 815 spectrum 1 weight 0.10000E+01 volume 0.60577E-02 ppm1 8.444 ppm2 2.281 CV 1
ASSI { 816}
(( segid "SAP" and resid 177 and name HB2 ))
(( segid "SAP" and resid 174 and name HN ))
2.100 2.100 3.900 peak 816 spectrum 1 weight 0.10000E+01 volume 0.49990E-02 ppm1 8.446 ppm2 1.976 CV 1
ASSI { 817}
(( segid "SAP" and resid 173 and name HB1 ))
(( segid "SAP" and resid 174 and name HN ))
2.200 0.600 0.600 peak 817 spectrum 1 weight 0.10000E+01 volume 0.10304E-01 ppm1 8.448 ppm2 1.773 CV 1
ASSI { 818}
(( segid "SAP" and resid 173 and name HB2 ))
(( segid "SAP" and resid 174 and name HN ))
3.100 1.200 1.200 peak 818 spectrum 1 weight 0.10000E+01 volume 0.58312E-02 ppm1 8.445 ppm2 1.470 CV 1
ASSI { 819}
(( segid "SAP" and resid 183 and name HN ))
(( segid "SAP" and resid 180 and name HN ))
4.500 2.500 1.500 peak 819 spectrum 1 weight 0.10000E+01 volume 0.31421E-03 ppm1 7.596 ppm2 8.955 CV 1
ASSI { 820}
( segid "SAP" and resid 178 and name HD1%)
(( segid "SAP" and resid 180 and name HN ))
3.600 1.700 1.700 peak 820 spectrum 1 weight 0.10000E+01 volume 0.13814E-02 ppm1 7.598 ppm2 0.848 CV 1
OR { 820}
( segid "SAP" and resid 181 and name HD1%)
(( segid "SAP" and resid 180 and name HN ))
ASSI { 821}
(( segid "SAP" and resid 204 and name HA ))
(( segid "SAP" and resid 208 and name HN ))
4.200 2.200 1.800 peak 821 spectrum 1 weight 0.10000E+01 volume 0.55368E-03 ppm1 8.152 ppm2 3.562 CV 1
ASSI { 822}
(( segid "SAP" and resid 208 and name HD2 ))
(( segid "SAP" and resid 208 and name HN ))
3.300 1.300 1.300 peak 822 spectrum 1 weight 0.10000E+01 volume 0.25080E-02 ppm1 8.149 ppm2 1.614 CV 1
OR { 822}
(( segid "SAP" and resid 208 and name HD1 ))
(( segid "SAP" and resid 208 and name HN ))
ASSI { 823}
(( segid "SAP" and resid 209 and name HN ))
(( segid "SAP" and resid 207 and name HN ))
3.300 3.300 2.700 peak 823 spectrum 1 weight 0.10000E+01 volume 0.71333E-03 ppm1 7.843 ppm2 8.323 CV 1
ASSI { 824}
(( segid "SAP" and resid 205 and name HN ))
(( segid "SAP" and resid 204 and name HN ))
2.500 0.800 0.800 peak 824 spectrum 1 weight 0.10000E+01 volume 0.96243E-02 ppm1 7.824 ppm2 7.975 CV 1
ASSI { 825}
(( segid "SAP" and resid 205 and name HB2 ))
(( segid "SAP" and resid 204 and name HN ))
3.500 1.500 1.500 peak 825 spectrum 1 weight 0.10000E+01 volume 0.34648E-02 ppm1 7.837 ppm2 1.818 CV 1
OR { 825}
(( segid "SAP" and resid 205 and name HB1 ))
(( segid "SAP" and resid 204 and name HN ))
OR { 825}
(( segid "SAP" and resid 205 and name HG1 ))
(( segid "SAP" and resid 204 and name HN ))
OR { 825}
(( segid "SAP" and resid 205 and name HB1 ))
(( segid "SAP" and resid 207 and name HN ))
ASSI { 829}
(( segid "SAP" and resid 185 and name HD2 ))
(( segid "SAP" and resid 185 and name HN ))
3.300 3.300 2.700 peak 829 spectrum 1 weight 0.10000E+01 volume 0.80391E-03 ppm1 7.425 ppm2 7.005 CV 1
ASSI { 830}
(( segid "SAP" and resid 183 and name HA2 ))
(( segid "SAP" and resid 185 and name HN ))
4.200 2.200 1.800 peak 830 spectrum 1 weight 0.10000E+01 volume 0.83788E-03 ppm1 7.418 ppm2 3.553 CV 1
ASSI { 831}
( segid "SAP" and resid 150 and name HD1%)
(( segid "SAP" and resid 185 and name HN ))
5.100 3.300 0.900 peak 831 spectrum 1 weight 0.10000E+01 volume 0.32043E-03 ppm1 7.417 ppm2 0.431 CV 1
OR { 831}
( segid "SAP" and resid 150 and name HD1%)
(( segid "SAP" and resid 181 and name HN ))
ASSI { 832}
(( segid "SAP" and resid 181 and name HN ))
(( segid "SAP" and resid 179 and name HN ))
4.700 2.800 1.300 peak 832 spectrum 1 weight 0.10000E+01 volume 0.28477E-03 ppm1 8.733 ppm2 7.375 CV 1
ASSI { 833}
(( segid "SAP" and resid 165 and name HA ))
(( segid "SAP" and resid 167 and name HN ))
4.500 2.600 1.500 peak 833 spectrum 1 weight 0.10000E+01 volume 0.80391E-03 ppm1 8.286 ppm2 4.325 CV 1
ASSI { 834}
(( segid "SAP" and resid 166 and name HG2 ))
(( segid "SAP" and resid 167 and name HN ))
4.300 2.300 1.700 peak 834 spectrum 1 weight 0.10000E+01 volume 0.19362E-02 ppm1 8.277 ppm2 1.272 CV 1
OR { 834}
(( segid "SAP" and resid 166 and name HG1 ))
(( segid "SAP" and resid 167 and name HN ))
ASSI { 835}
( segid "SAP" and resid 169 and name HG2%)
(( segid "SAP" and resid 167 and name HN ))
3.400 1.400 1.400 peak 835 spectrum 1 weight 0.10000E+01 volume 0.70201E-03 ppm1 8.283 ppm2 1.068 CV 1
ASSI { 836}
(( segid "SAP" and resid 159 and name HN ))
(( segid "SAP" and resid 157 and name HN ))
3.900 1.900 1.900 peak 836 spectrum 1 weight 0.10000E+01 volume 0.10870E-02 ppm1 7.456 ppm2 8.652 CV 1
ASSI { 837}
( segid "SAP" and resid 155 and name HG2%)
(( segid "SAP" and resid 157 and name HN ))
3.900 1.900 1.900 peak 837 spectrum 1 weight 0.10000E+01 volume 0.23438E-02 ppm1 7.452 ppm2 0.943 CV 1
ASSI { 838}
( segid "SAP" and resid 181 and name HG2%)
(( segid "SAP" and resid 184 and name HN ))
4.400 2.500 1.600 peak 838 spectrum 1 weight 0.10000E+01 volume 0.66238E-03 ppm1 7.620 ppm2 0.955 CV 1
ASSI { 839}
( segid "SAP" and resid 167 and name HD1%)
(( segid "SAP" and resid 184 and name HN ))
4.200 2.200 1.800 peak 839 spectrum 1 weight 0.10000E+01 volume 0.66804E-03 ppm1 7.622 ppm2 0.881 CV 1
OR { 839}
( segid "SAP" and resid 153 and name HD1%)
(( segid "SAP" and resid 184 and name HN ))
ASSI { 840}
( segid "SAP" and resid 153 and name HD2%)
(( segid "SAP" and resid 153 and name HN ))
3.000 1.100 1.100 peak 840 spectrum 1 weight 0.10000E+01 volume 0.71899E-02 ppm1 7.178 ppm2 0.749 CV 1
ASSI { 841}
( segid "SAP" and resid 158 and name HD2%)
(( segid "SAP" and resid 153 and name HN ))
3.000 1.100 1.100 peak 841 spectrum 1 weight 0.10000E+01 volume 0.55198E-02 ppm1 7.179 ppm2 0.656 CV 1
OR { 841}
( segid "SAP" and resid 158 and name HD1%)
(( segid "SAP" and resid 153 and name HN ))
ASSI { 842}
(( segid "SAP" and resid 206 and name HB2 ))
(( segid "SAP" and resid 205 and name HN ))
4.900 3.000 1.100 peak 842 spectrum 1 weight 0.10000E+01 volume 0.48461E-03 ppm1 7.970 ppm2 2.418 CV 1
ASSI { 843}
( segid "SAP" and resid 201 and name HG2%)
(( segid "SAP" and resid 205 and name HN ))
3.800 1.800 1.800 peak 843 spectrum 1 weight 0.10000E+01 volume 0.12965E-02 ppm1 7.969 ppm2 1.024 CV 1
ASSI { 844}
(( segid "SAP" and resid 160 and name HN ))
(( segid "SAP" and resid 162 and name HN ))
3.500 1.500 1.500 peak 844 spectrum 1 weight 0.10000E+01 volume 0.19022E-02 ppm1 8.191 ppm2 7.803 CV 1
OR { 844}
(( segid "SAP" and resid 165 and name HN ))
(( segid "SAP" and resid 163 and name HN ))
OR { 844}
(( segid "SAP" and resid 160 and name HN ))
(( segid "SAP" and resid 163 and name HN ))
ASSI { 846}
( segid "SAP" and resid 201 and name HD1%)
(( segid "SAP" and resid 201 and name HN ))
4.500 2.500 1.500 peak 846 spectrum 1 weight 0.10000E+01 volume 0.12342E-02 ppm1 8.648 ppm2 1.056 CV 1
OR { 846}
( segid "SAP" and resid 201 and name HG2%)
(( segid "SAP" and resid 201 and name HN ))
ASSI { 847}
( segid "SAP" and resid 173 and name HD1%)
(( segid "SAP" and resid 177 and name HN ))
3.500 1.500 1.500 peak 847 spectrum 1 weight 0.10000E+01 volume 0.13587E-02 ppm1 8.290 ppm2 0.846 CV 1
OR { 847}
( segid "SAP" and resid 178 and name HD1%)
(( segid "SAP" and resid 177 and name HN ))
ASSI { 848}
(( segid "SAP" and resid 177 and name HE21))
(( segid "SAP" and resid 177 and name HN ))
4.200 2.200 1.800 peak 848 spectrum 1 weight 0.10000E+01 volume 0.92280E-03 ppm1 8.285 ppm2 7.427 CV 1
ASSI { 849}
(( segid "SAP" and resid 180 and name HN ))
(( segid "SAP" and resid 177 and name HN ))
4.300 2.300 1.700 peak 849 spectrum 1 weight 0.10000E+01 volume 0.48688E-03 ppm1 8.295 ppm2 7.598 CV 1
ASSI { 852}
( segid "SAP" and resid 198 and name HG2%)
(( segid "SAP" and resid 202 and name HN ))
3.900 1.900 1.900 peak 852 spectrum 1 weight 0.10000E+01 volume 0.10983E-02 ppm1 7.997 ppm2 1.246 CV 1
ASSI { 853}
( segid "SAP" and resid 167 and name HD1%)
(( segid "SAP" and resid 166 and name HN ))
3.300 3.300 2.700 peak 853 spectrum 1 weight 0.10000E+01 volume 0.79259E-03 ppm1 7.552 ppm2 0.871 CV 1
ASSI { 854}
( segid "SAP" and resid 167 and name HD2%)
(( segid "SAP" and resid 166 and name HN ))
3.300 3.300 2.700 peak 854 spectrum 1 weight 0.10000E+01 volume 0.71899E-03 ppm1 7.553 ppm2 0.782 CV 1
ASSI { 856}
(( segid "SAP" and resid 154 and name HB1 ))
(( segid "SAP" and resid 156 and name HN ))
4.000 2.000 2.000 peak 856 spectrum 1 weight 0.10000E+01 volume 0.49650E-03 ppm1 8.957 ppm2 2.393 CV 1
ASSI { 857}
(( segid "SAP" and resid 206 and name HA ))
(( segid "SAP" and resid 206 and name HN ))
3.200 1.200 1.200 peak 857 spectrum 1 weight 0.10000E+01 volume 0.30741E-02 ppm1 7.776 ppm2 4.544 CV 1
ASSI { 858}
(( segid "SAP" and resid 202 and name HB1 ))
(( segid "SAP" and resid 206 and name HN ))
3.700 1.700 1.700 peak 858 spectrum 1 weight 0.10000E+01 volume 0.97942E-03 ppm1 7.773 ppm2 3.145 CV 1
OR { 858}
(( segid "SAP" and resid 202 and name HB2 ))
(( segid "SAP" and resid 206 and name HN ))
OR { 858}
(( segid "SAP" and resid 205 and name HD1 ))
(( segid "SAP" and resid 206 and name HN ))
ASSI { 859}
(( segid "SAP" and resid 201 and name HA ))
(( segid "SAP" and resid 203 and name HN ))
4.000 2.000 2.000 peak 859 spectrum 1 weight 0.10000E+01 volume 0.74730E-03 ppm1 8.487 ppm2 3.622 CV 1
OR { 859}
(( segid "SAP" and resid 200 and name HB1 ))
(( segid "SAP" and resid 203 and name HN ))
ASSI { 860}
( segid "SAP" and resid 201 and name HG2%)
(( segid "SAP" and resid 203 and name HN ))
4.700 2.700 1.300 peak 860 spectrum 1 weight 0.10000E+01 volume 0.45121E-03 ppm1 8.487 ppm2 1.016 CV 1
ASSI { 861}
(( segid "SAP" and resid 189 and name HG12))
(( segid "SAP" and resid 188 and name HN ))
5.100 3.200 0.900 peak 861 spectrum 1 weight 0.10000E+01 volume 0.87185E-03 ppm1 7.669 ppm2 0.445 CV 1
ASSI { 864}
(( segid "SAP" and resid 152 and name HB2 ))
(( segid "SAP" and resid 152 and name HE22))
4.700 2.700 1.300 peak 864 spectrum 1 weight 0.10000E+01 volume 0.68502E-03 ppm1 6.633 ppm2 1.958 CV 1
ASSI { 865}
(( segid "SAP" and resid 152 and name HB2 ))
(( segid "SAP" and resid 152 and name HE21))
3.400 1.400 1.400 peak 865 spectrum 1 weight 0.10000E+01 volume 0.17211E-02 ppm1 7.757 ppm2 1.968 CV 1
ASSI { 867}
(( segid "SAP" and resid 183 and name HN ))
(( segid "SAP" and resid 187 and name HN ))
5.400 3.700 0.600 peak 867 spectrum 1 weight 0.10000E+01 volume 0.33572E-03 ppm1 7.464 ppm2 8.948 CV 1
ASSI { 869}
( segid "SAP" and resid 186 and name HE% )
(( segid "SAP" and resid 187 and name HN ))
3.400 1.500 1.500 peak 869 spectrum 1 weight 0.10000E+01 volume 0.17494E-02 ppm1 7.469 ppm2 7.140 CV 1
OR { 869}
(( segid "SAP" and resid 189 and name HN ))
(( segid "SAP" and resid 187 and name HN ))
ASSI { 871}
(( segid "SAP" and resid 208 and name HB1 ))
(( segid "SAP" and resid 208 and name HN ))
3.000 1.100 1.100 peak 871 spectrum 1 weight 0.10000E+01 volume 0.73598E-02 ppm1 8.149 ppm2 1.818 CV 1
ASSI { 1}
(( segid "PAH3" and resid 472 and name HB2 ))
(( segid "PAH3" and resid 472 and name HN ))
2.400 0.700 0.700 peak 1 spectrum 1 weight 0.10000E+01 volume 0.93378E-02 ppm1 7.846 ppm2 1.001 CV 1
ASSI { 2}
(( segid "PAH3" and resid 472 and name HB1 ))
(( segid "PAH3" and resid 472 and name HN ))
2.500 0.800 0.800 peak 2 spectrum 1 weight 0.10000E+01 volume 0.10846E-01 ppm1 7.845 ppm2 1.454 CV 1
ASSI { 3}
(( segid "PAH3" and resid 472 and name HA ))
(( segid "PAH3" and resid 472 and name HN ))
2.700 0.900 0.900 peak 3 spectrum 1 weight 0.10000E+01 volume 0.68166E-02 ppm1 7.848 ppm2 3.097 CV 1
ASSI { 4}
( segid "PAH3" and resid 489 and name HG2%)
(( segid "PAH3" and resid 489 and name HN ))
2.500 0.800 0.800 peak 4 spectrum 1 weight 0.10000E+01 volume 0.74703E-02 ppm1 8.265 ppm2 1.010 CV 1
ASSI { 5}
(( segid "PAH3" and resid 464 and name HB1 ))
(( segid "PAH3" and resid 465 and name HN ))
3.600 1.600 1.600 peak 5 spectrum 1 weight 0.10000E+01 volume 0.28157E-02 ppm1 8.366 ppm2 2.303 CV 1
ASSI { 6}
(( segid "PAH3" and resid 464 and name HB2 ))
(( segid "PAH3" and resid 464 and name HN ))
2.900 1.000 1.000 peak 6 spectrum 1 weight 0.10000E+01 volume 0.30312E-02 ppm1 9.827 ppm2 2.066 CV 1
ASSI { 7}
(( segid "PAH3" and resid 464 and name HA ))
(( segid "PAH3" and resid 464 and name HN ))
2.800 1.000 1.000 peak 7 spectrum 1 weight 0.10000E+01 volume 0.46474E-02 ppm1 9.827 ppm2 4.085 CV 1
ASSI { 8}
(( segid "PAH3" and resid 492 and name HN ))
(( segid "PAH3" and resid 490 and name HN ))
4.300 2.300 1.700 peak 8 spectrum 1 weight 0.10000E+01 volume 0.56961E-03 ppm1 7.640 ppm2 9.688 CV 1
ASSI { 9}
(( segid "PAH3" and resid 526 and name HG2 ))
(( segid "PAH3" and resid 528 and name HN ))
4.300 2.300 1.700 peak 9 spectrum 1 weight 0.10000E+01 volume 0.76139E-03 ppm1 7.830 ppm2 1.252 CV 1
OR { 9}
(( segid "PAH3" and resid 526 and name HG1 ))
(( segid "PAH3" and resid 528 and name HN ))
ASSI { 10}
(( segid "PAH3" and resid 481 and name HB1 ))
(( segid "PAH3" and resid 482 and name HN ))
2.700 0.900 0.900 peak 10 spectrum 1 weight 0.10000E+01 volume 0.44247E-02 ppm1 8.522 ppm2 3.163 CV 1
ASSI { 11}
(( segid "PAH3" and resid 481 and name HB2 ))
(( segid "PAH3" and resid 482 and name HN ))
3.600 1.600 1.600 peak 11 spectrum 1 weight 0.10000E+01 volume 0.40799E-02 ppm1 8.521 ppm2 2.990 CV 1
ASSI { 12}
(( segid "PAH3" and resid 481 and name HB1 ))
(( segid "PAH3" and resid 481 and name HN ))
2.300 0.700 0.700 peak 12 spectrum 1 weight 0.10000E+01 volume 0.16952E-01 ppm1 7.841 ppm2 3.184 CV 1
ASSI { 13}
(( segid "PAH3" and resid 481 and name HB2 ))
(( segid "PAH3" and resid 481 and name HN ))
2.300 0.600 0.600 peak 13 spectrum 1 weight 0.10000E+01 volume 0.13504E-01 ppm1 7.840 ppm2 2.981 CV 1
ASSI { 14}
(( segid "PAH3" and resid 483 and name HB1 ))
(( segid "PAH3" and resid 483 and name HN ))
2.400 0.700 0.700 peak 14 spectrum 1 weight 0.10000E+01 volume 0.15946E-01 ppm1 7.848 ppm2 3.095 CV 1
ASSI { 15}
(( segid "PAH3" and resid 483 and name HB2 ))
(( segid "PAH3" and resid 483 and name HN ))
2.600 0.900 0.900 peak 15 spectrum 1 weight 0.10000E+01 volume 0.62994E-02 ppm1 7.848 ppm2 2.746 CV 1
ASSI { 16}
(( segid "PAH3" and resid 488 and name HB1 ))
(( segid "PAH3" and resid 488 and name HN ))
3.300 1.400 1.400 peak 16 spectrum 1 weight 0.10000E+01 volume 0.53657E-02 ppm1 6.946 ppm2 1.815 CV 1
ASSI { 17}
(( segid "PAH3" and resid 526 and name HB1 ))
(( segid "PAH3" and resid 528 and name HN ))
3.600 1.600 1.600 peak 17 spectrum 1 weight 0.10000E+01 volume 0.13791E-02 ppm1 7.831 ppm2 1.677 CV 1
ASSI { 18}
(( segid "PAH3" and resid 527 and name HB2 ))
(( segid "PAH3" and resid 528 and name HN ))
3.700 1.700 1.700 peak 18 spectrum 1 weight 0.10000E+01 volume 0.24566E-02 ppm1 7.830 ppm2 1.855 CV 1
ASSI { 19}
(( segid "PAH3" and resid 500 and name HA ))
(( segid "PAH3" and resid 500 and name HN ))
2.700 0.900 0.900 peak 19 spectrum 1 weight 0.10000E+01 volume 0.71111E-02 ppm1 7.830 ppm2 4.009 CV 1
OR { 19}
(( segid "PAH3" and resid 499 and name HA ))
(( segid "PAH3" and resid 500 and name HN ))
ASSI { 20}
(( segid "PAH3" and resid 507 and name HD1 ))
(( segid "PAH3" and resid 508 and name HN ))
3.400 1.400 1.400 peak 20 spectrum 1 weight 0.10000E+01 volume 0.27870E-02 ppm1 7.276 ppm2 3.835 CV 1
OR { 20}
(( segid "PAH3" and resid 506 and name HA ))
(( segid "PAH3" and resid 508 and name HN ))
ASSI { 21}
(( segid "PAH3" and resid 507 and name HD2 ))
(( segid "PAH3" and resid 508 and name HN ))
2.800 1.000 1.000 peak 21 spectrum 1 weight 0.10000E+01 volume 0.34191E-02 ppm1 7.281 ppm2 3.675 CV 1
ASSI { 22}
(( segid "PAH3" and resid 527 and name HB1 ))
(( segid "PAH3" and resid 528 and name HN ))
3.600 1.600 1.600 peak 22 spectrum 1 weight 0.10000E+01 volume 0.21836E-02 ppm1 7.830 ppm2 2.039 CV 1
ASSI { 23}
(( segid "PAH3" and resid 527 and name HG2 ))
(( segid "PAH3" and resid 528 and name HN ))
4.000 2.000 2.000 peak 23 spectrum 1 weight 0.10000E+01 volume 0.14438E-02 ppm1 7.833 ppm2 2.237 CV 1
OR { 23}
(( segid "PAH3" and resid 527 and name HG1 ))
(( segid "PAH3" and resid 528 and name HN ))
ASSI { 24}
(( segid "PAH3" and resid 528 and name HB2 ))
(( segid "PAH3" and resid 528 and name HN ))
3.000 1.200 1.200 peak 24 spectrum 1 weight 0.10000E+01 volume 0.44175E-02 ppm1 7.831 ppm2 3.815 CV 1
OR { 24}
(( segid "PAH3" and resid 528 and name HB1 ))
(( segid "PAH3" and resid 528 and name HN ))
ASSI { 25}
(( segid "PAH3" and resid 464 and name HG1 ))
(( segid "PAH3" and resid 464 and name HN ))
3.800 1.800 1.800 peak 25 spectrum 1 weight 0.10000E+01 volume 0.14007E-02 ppm1 9.824 ppm2 2.638 CV 1
ASSI { 26}
(( segid "PAH3" and resid 464 and name HG2 ))
(( segid "PAH3" and resid 464 and name HN ))
3.200 1.300 1.300 peak 26 spectrum 1 weight 0.10000E+01 volume 0.21908E-02 ppm1 9.827 ppm2 2.402 CV 1
ASSI { 27}
(( segid "PAH3" and resid 464 and name HB1 ))
(( segid "PAH3" and resid 464 and name HN ))
3.300 1.400 1.400 peak 27 spectrum 1 weight 0.10000E+01 volume 0.53728E-02 ppm1 9.828 ppm2 2.299 CV 1
ASSI { 28}
(( segid "PAH3" and resid 467 and name HB1 ))
(( segid "PAH3" and resid 467 and name HN ))
2.400 0.700 0.700 peak 28 spectrum 1 weight 0.10000E+01 volume 0.94815E-02 ppm1 7.384 ppm2 2.128 CV 1
ASSI { 29}
(( segid "PAH3" and resid 528 and name HA ))
(( segid "PAH3" and resid 528 and name HN ))
2.900 1.100 1.100 peak 29 spectrum 1 weight 0.10000E+01 volume 0.52507E-02 ppm1 7.827 ppm2 4.226 CV 1
ASSI { 30}
(( segid "PAH3" and resid 527 and name HA ))
(( segid "PAH3" and resid 528 and name HN ))
2.400 0.700 0.700 peak 30 spectrum 1 weight 0.10000E+01 volume 0.15443E-01 ppm1 7.832 ppm2 4.110 CV 1
ASSI { 32}
(( segid "PAH3" and resid 487 and name HB2 ))
(( segid "PAH3" and resid 487 and name HN ))
2.800 1.000 1.000 peak 32 spectrum 1 weight 0.10000E+01 volume 0.38572E-02 ppm1 7.365 ppm2 2.219 CV 1
ASSI { 33}
(( segid "PAH3" and resid 487 and name HB1 ))
(( segid "PAH3" and resid 487 and name HN ))
3.300 1.400 1.400 peak 33 spectrum 1 weight 0.10000E+01 volume 0.55883E-02 ppm1 7.367 ppm2 3.291 CV 1
ASSI { 34}
(( segid "PAH3" and resid 526 and name HB2 ))
(( segid "PAH3" and resid 527 and name HN ))
3.900 1.900 1.900 peak 34 spectrum 1 weight 0.10000E+01 volume 0.12067E-02 ppm1 8.172 ppm2 1.546 CV 1
ASSI { 35}
(( segid "PAH3" and resid 526 and name HB1 ))
(( segid "PAH3" and resid 527 and name HN ))
3.800 1.800 1.800 peak 35 spectrum 1 weight 0.10000E+01 volume 0.11708E-02 ppm1 8.167 ppm2 1.687 CV 1
ASSI { 36}
(( segid "PAH3" and resid 500 and name HB1 ))
(( segid "PAH3" and resid 501 and name HN ))
3.700 1.800 1.800 peak 36 spectrum 1 weight 0.10000E+01 volume 0.22626E-02 ppm1 8.588 ppm2 2.565 CV 1
ASSI { 37}
(( segid "PAH3" and resid 462 and name HN ))
(( segid "PAH3" and resid 461 and name HN ))
4.000 2.000 2.000 peak 37 spectrum 1 weight 0.10000E+01 volume 0.95533E-03 ppm1 8.168 ppm2 8.774 CV 1
ASSI { 38}
(( segid "PAH3" and resid 461 and name HA ))
(( segid "PAH3" and resid 461 and name HN ))
3.200 1.300 1.300 peak 38 spectrum 1 weight 0.10000E+01 volume 0.28373E-02 ppm1 8.165 ppm2 4.266 CV 1
ASSI { 39}
(( segid "PAH3" and resid 460 and name HA1 ))
(( segid "PAH3" and resid 461 and name HN ))
2.600 0.800 0.800 peak 39 spectrum 1 weight 0.10000E+01 volume 0.10774E-01 ppm1 8.167 ppm2 4.012 CV 1
OR { 39}
(( segid "PAH3" and resid 460 and name HA2 ))
(( segid "PAH3" and resid 461 and name HN ))
ASSI { 40}
(( segid "PAH3" and resid 461 and name HB ))
(( segid "PAH3" and resid 461 and name HN ))
2.900 1.000 1.000 peak 40 spectrum 1 weight 0.10000E+01 volume 0.57320E-02 ppm1 8.165 ppm2 2.163 CV 1
ASSI { 41}
(( segid "PAH3" and resid 486 and name HB2 ))
(( segid "PAH3" and resid 486 and name HN ))
2.400 0.700 0.700 peak 41 spectrum 1 weight 0.10000E+01 volume 0.11277E-01 ppm1 8.166 ppm2 0.983 CV 1
OR { 41}
( segid "PAH3" and resid 461 and name HG2%)
(( segid "PAH3" and resid 461 and name HN ))
OR { 41}
( segid "PAH3" and resid 461 and name HG1%)
(( segid "PAH3" and resid 461 and name HN ))
ASSI { 42}
(( segid "PAH3" and resid 461 and name HA ))
(( segid "PAH3" and resid 462 and name HN ))
2.500 0.800 0.800 peak 42 spectrum 1 weight 0.10000E+01 volume 0.10774E-01 ppm1 8.773 ppm2 4.266 CV 1
OR { 42}
(( segid "PAH3" and resid 462 and name HA1 ))
(( segid "PAH3" and resid 462 and name HN ))
ASSI { 43}
(( segid "PAH3" and resid 462 and name HA2 ))
(( segid "PAH3" and resid 462 and name HN ))
3.000 1.100 1.100 peak 43 spectrum 1 weight 0.10000E+01 volume 0.45396E-02 ppm1 8.772 ppm2 4.142 CV 1
ASSI { 44}
( segid "PAH3" and resid 461 and name HG2%)
(( segid "PAH3" and resid 462 and name HN ))
3.600 1.600 1.600 peak 44 spectrum 1 weight 0.10000E+01 volume 0.21046E-02 ppm1 8.772 ppm2 0.980 CV 1
OR { 44}
( segid "PAH3" and resid 461 and name HG1%)
(( segid "PAH3" and resid 462 and name HN ))
ASSI { 45}
(( segid "PAH3" and resid 463 and name HA ))
(( segid "PAH3" and resid 463 and name HN ))
3.500 1.600 1.600 peak 45 spectrum 1 weight 0.10000E+01 volume 0.15731E-02 ppm1 8.234 ppm2 4.294 CV 1
OR { 45}
(( segid "PAH3" and resid 462 and name HA1 ))
(( segid "PAH3" and resid 463 and name HN ))
ASSI { 46}
(( segid "PAH3" and resid 462 and name HA2 ))
(( segid "PAH3" and resid 463 and name HN ))
3.700 1.700 1.700 peak 46 spectrum 1 weight 0.10000E+01 volume 0.96970E-03 ppm1 8.231 ppm2 4.157 CV 1
ASSI { 48}
(( segid "PAH3" and resid 463 and name HB ))
(( segid "PAH3" and resid 464 and name HN ))
3.500 1.500 1.500 peak 48 spectrum 1 weight 0.10000E+01 volume 0.23129E-02 ppm1 9.825 ppm2 4.454 CV 1
ASSI { 49}
(( segid "PAH3" and resid 463 and name HA ))
(( segid "PAH3" and resid 464 and name HN ))
3.100 1.200 1.200 peak 49 spectrum 1 weight 0.10000E+01 volume 0.40584E-02 ppm1 9.829 ppm2 4.306 CV 1
OR { 49}
(( segid "PAH3" and resid 462 and name HA1 ))
(( segid "PAH3" and resid 464 and name HN ))
ASSI { 50}
( segid "PAH3" and resid 463 and name HG2%)
(( segid "PAH3" and resid 464 and name HN ))
4.500 2.600 1.500 peak 50 spectrum 1 weight 0.10000E+01 volume 0.88350E-03 ppm1 9.831 ppm2 1.312 CV 1
ASSI { 51}
(( segid "PAH3" and resid 464 and name HN ))
(( segid "PAH3" and resid 465 and name HN ))
2.900 1.000 1.000 peak 51 spectrum 1 weight 0.10000E+01 volume 0.45755E-02 ppm1 8.366 ppm2 9.826 CV 1
ASSI { 52}
(( segid "PAH3" and resid 466 and name HN ))
(( segid "PAH3" and resid 465 and name HN ))
2.700 0.900 0.900 peak 52 spectrum 1 weight 0.10000E+01 volume 0.57033E-02 ppm1 8.364 ppm2 7.581 CV 1
ASSI { 53}
(( segid "PAH3" and resid 465 and name HA ))
(( segid "PAH3" and resid 465 and name HN ))
2.800 1.000 1.000 peak 53 spectrum 1 weight 0.10000E+01 volume 0.55811E-02 ppm1 8.366 ppm2 4.319 CV 1
ASSI { 54}
(( segid "PAH3" and resid 464 and name HA ))
(( segid "PAH3" and resid 465 and name HN ))
3.000 1.100 1.100 peak 54 spectrum 1 weight 0.10000E+01 volume 0.44462E-02 ppm1 8.366 ppm2 4.078 CV 1
ASSI { 55}
(( segid "PAH3" and resid 465 and name HB2 ))
(( segid "PAH3" and resid 465 and name HN ))
2.600 0.800 0.800 peak 55 spectrum 1 weight 0.10000E+01 volume 0.91942E-02 ppm1 8.366 ppm2 3.979 CV 1
OR { 55}
(( segid "PAH3" and resid 465 and name HB1 ))
(( segid "PAH3" and resid 465 and name HN ))
ASSI { 56}
(( segid "PAH3" and resid 464 and name HB2 ))
(( segid "PAH3" and resid 465 and name HN ))
3.100 1.200 1.200 peak 56 spectrum 1 weight 0.10000E+01 volume 0.17957E-02 ppm1 8.360 ppm2 2.046 CV 1
ASSI { 60}
(( segid "PAH3" and resid 467 and name HN ))
(( segid "PAH3" and resid 466 and name HN ))
2.700 0.900 0.900 peak 60 spectrum 1 weight 0.10000E+01 volume 0.69244E-02 ppm1 7.584 ppm2 7.378 CV 1
ASSI { 61}
(( segid "PAH3" and resid 463 and name HA ))
(( segid "PAH3" and resid 466 and name HN ))
2.900 1.100 1.100 peak 61 spectrum 1 weight 0.10000E+01 volume 0.44175E-02 ppm1 7.582 ppm2 4.313 CV 1
OR { 61}
(( segid "PAH3" and resid 465 and name HA ))
(( segid "PAH3" and resid 466 and name HN ))
ASSI { 62}
(( segid "PAH3" and resid 466 and name HA ))
(( segid "PAH3" and resid 466 and name HN ))
2.700 0.900 0.900 peak 62 spectrum 1 weight 0.10000E+01 volume 0.68813E-02 ppm1 7.585 ppm2 4.146 CV 1
ASSI { 63}
(( segid "PAH3" and resid 465 and name HB2 ))
(( segid "PAH3" and resid 466 and name HN ))
2.900 1.100 1.100 peak 63 spectrum 1 weight 0.10000E+01 volume 0.48557E-02 ppm1 7.583 ppm2 3.993 CV 1
OR { 63}
(( segid "PAH3" and resid 465 and name HB1 ))
(( segid "PAH3" and resid 466 and name HN ))
ASSI { 64}
(( segid "PAH3" and resid 466 and name HB1 ))
(( segid "PAH3" and resid 466 and name HN ))
2.400 0.700 0.700 peak 64 spectrum 1 weight 0.10000E+01 volume 0.11349E-01 ppm1 7.585 ppm2 1.759 CV 1
ASSI { 65}
(( segid "PAH3" and resid 466 and name HB2 ))
(( segid "PAH3" and resid 466 and name HN ))
2.300 0.700 0.700 peak 65 spectrum 1 weight 0.10000E+01 volume 0.14150E-01 ppm1 7.586 ppm2 1.589 CV 1
ASSI { 68}
( segid "PAH3" and resid 467 and name HD% )
(( segid "PAH3" and resid 467 and name HN ))
4.300 2.300 1.700 peak 68 spectrum 1 weight 0.10000E+01 volume 0.16664E-02 ppm1 7.381 ppm2 5.896 CV 1
ASSI { 69}
(( segid "PAH3" and resid 463 and name HA ))
(( segid "PAH3" and resid 467 and name HN ))
4.100 2.100 1.900 peak 69 spectrum 1 weight 0.10000E+01 volume 0.10918E-02 ppm1 7.375 ppm2 4.298 CV 1
OR { 69}
(( segid "PAH3" and resid 465 and name HA ))
(( segid "PAH3" and resid 467 and name HN ))
ASSI { 70}
(( segid "PAH3" and resid 467 and name HA ))
(( segid "PAH3" and resid 467 and name HN ))
2.800 1.000 1.000 peak 70 spectrum 1 weight 0.10000E+01 volume 0.48198E-02 ppm1 7.380 ppm2 3.541 CV 1
ASSI { 71}
(( segid "PAH3" and resid 466 and name HA ))
(( segid "PAH3" and resid 467 and name HN ))
3.000 1.200 1.200 peak 71 spectrum 1 weight 0.10000E+01 volume 0.38357E-02 ppm1 7.384 ppm2 4.106 CV 1
OR { 71}
(( segid "PAH3" and resid 464 and name HA ))
(( segid "PAH3" and resid 467 and name HN ))
ASSI { 72}
(( segid "PAH3" and resid 469 and name HB2 ))
(( segid "PAH3" and resid 467 and name HN ))
4.900 3.000 1.100 peak 72 spectrum 1 weight 0.10000E+01 volume 0.41805E-03 ppm1 7.383 ppm2 2.626 CV 1
OR { 72}
(( segid "PAH3" and resid 464 and name HG1 ))
(( segid "PAH3" and resid 467 and name HN ))
ASSI { 73}
(( segid "PAH3" and resid 466 and name HB1 ))
(( segid "PAH3" and resid 467 and name HN ))
2.500 0.800 0.800 peak 73 spectrum 1 weight 0.10000E+01 volume 0.49131E-02 ppm1 7.381 ppm2 1.758 CV 1
ASSI { 74}
(( segid "PAH3" and resid 467 and name HB2 ))
(( segid "PAH3" and resid 467 and name HN ))
2.600 0.800 0.800 peak 74 spectrum 1 weight 0.10000E+01 volume 0.13217E-01 ppm1 7.385 ppm2 1.579 CV 1
OR { 74}
(( segid "PAH3" and resid 466 and name HB2 ))
(( segid "PAH3" and resid 467 and name HN ))
ASSI { 75}
( segid "PAH3" and resid 466 and name HD1%)
(( segid "PAH3" and resid 467 and name HN ))
4.700 2.800 1.300 peak 75 spectrum 1 weight 0.10000E+01 volume 0.10056E-02 ppm1 7.382 ppm2 0.939 CV 1
ASSI { 76}
(( segid "PAH3" and resid 469 and name HN ))
(( segid "PAH3" and resid 468 and name HN ))
2.500 0.800 0.800 peak 76 spectrum 1 weight 0.10000E+01 volume 0.86914E-02 ppm1 7.462 ppm2 7.708 CV 1
ASSI { 77}
( segid "PAH3" and resid 467 and name HD% )
(( segid "PAH3" and resid 468 and name HN ))
3.300 1.400 1.400 peak 77 spectrum 1 weight 0.10000E+01 volume 0.19035E-02 ppm1 7.469 ppm2 5.892 CV 1
ASSI { 78}
(( segid "PAH3" and resid 467 and name HZ ))
(( segid "PAH3" and resid 468 and name HN ))
4.200 2.200 1.800 peak 78 spectrum 1 weight 0.10000E+01 volume 0.52148E-03 ppm1 7.467 ppm2 6.948 CV 1
OR { 78}
( segid "PAH3" and resid 484 and name HE% )
(( segid "PAH3" and resid 468 and name HN ))
ASSI { 79}
(( segid "PAH3" and resid 468 and name HA ))
(( segid "PAH3" and resid 468 and name HN ))
2.700 0.900 0.900 peak 79 spectrum 1 weight 0.10000E+01 volume 0.53369E-02 ppm1 7.463 ppm2 3.706 CV 1
ASSI { 80}
(( segid "PAH3" and resid 468 and name HB1 ))
(( segid "PAH3" and resid 468 and name HN ))
3.200 1.300 1.300 peak 80 spectrum 1 weight 0.10000E+01 volume 0.73266E-02 ppm1 7.464 ppm2 3.584 CV 1
ASSI { 81}
(( segid "PAH3" and resid 468 and name HB2 ))
(( segid "PAH3" and resid 468 and name HN ))
2.500 0.800 0.800 peak 81 spectrum 1 weight 0.10000E+01 volume 0.66227E-02 ppm1 7.460 ppm2 2.983 CV 1
ASSI { 82}
(( segid "PAH3" and resid 467 and name HB1 ))
(( segid "PAH3" and resid 468 and name HN ))
2.600 0.900 0.900 peak 82 spectrum 1 weight 0.10000E+01 volume 0.41446E-02 ppm1 7.465 ppm2 2.132 CV 1
ASSI { 83}
(( segid "PAH3" and resid 467 and name HB2 ))
(( segid "PAH3" and resid 468 and name HN ))
4.100 2.100 1.900 peak 83 spectrum 1 weight 0.10000E+01 volume 0.27295E-02 ppm1 7.464 ppm2 1.581 CV 1
ASSI { 85}
(( segid "PAH3" and resid 469 and name HA ))
(( segid "PAH3" and resid 469 and name HN ))
2.700 0.900 0.900 peak 85 spectrum 1 weight 0.10000E+01 volume 0.79731E-02 ppm1 7.694 ppm2 4.286 CV 1
ASSI { 86}
(( segid "PAH3" and resid 466 and name HA ))
(( segid "PAH3" and resid 469 and name HN ))
3.000 1.200 1.200 peak 86 spectrum 1 weight 0.10000E+01 volume 0.40440E-02 ppm1 7.694 ppm2 4.147 CV 1
ASSI { 87}
(( segid "PAH3" and resid 468 and name HA ))
(( segid "PAH3" and resid 469 and name HN ))
3.100 1.200 1.200 peak 87 spectrum 1 weight 0.10000E+01 volume 0.35556E-02 ppm1 7.693 ppm2 3.694 CV 1
OR { 87}
(( segid "PAH3" and resid 470 and name HA ))
(( segid "PAH3" and resid 469 and name HN ))
ASSI { 88}
(( segid "PAH3" and resid 468 and name HB1 ))
(( segid "PAH3" and resid 469 and name HN ))
3.700 1.700 1.700 peak 88 spectrum 1 weight 0.10000E+01 volume 0.26433E-02 ppm1 7.692 ppm2 3.581 CV 1
ASSI { 89}
(( segid "PAH3" and resid 468 and name HB2 ))
(( segid "PAH3" and resid 469 and name HN ))
2.600 0.900 0.900 peak 89 spectrum 1 weight 0.10000E+01 volume 0.47767E-02 ppm1 7.693 ppm2 2.974 CV 1
ASSI { 90}
(( segid "PAH3" and resid 469 and name HB1 ))
(( segid "PAH3" and resid 469 and name HN ))
2.400 0.700 0.700 peak 90 spectrum 1 weight 0.10000E+01 volume 0.12642E-01 ppm1 7.696 ppm2 2.746 CV 1
ASSI { 91}
(( segid "PAH3" and resid 469 and name HB2 ))
(( segid "PAH3" and resid 469 and name HN ))
2.500 0.800 0.800 peak 91 spectrum 1 weight 0.10000E+01 volume 0.89787E-02 ppm1 7.694 ppm2 2.590 CV 1
ASSI { 92}
(( segid "PAH3" and resid 470 and name HB1 ))
(( segid "PAH3" and resid 469 and name HN ))
3.900 1.900 1.900 peak 92 spectrum 1 weight 0.10000E+01 volume 0.18676E-02 ppm1 7.695 ppm2 1.759 CV 1
OR { 92}
(( segid "PAH3" and resid 471 and name HB ))
(( segid "PAH3" and resid 469 and name HN ))
OR { 92}
(( segid "PAH3" and resid 466 and name HB1 ))
(( segid "PAH3" and resid 469 and name HN ))
ASSI { 93}
(( segid "PAH3" and resid 470 and name HB2 ))
(( segid "PAH3" and resid 469 and name HN ))
3.600 1.600 1.600 peak 93 spectrum 1 weight 0.10000E+01 volume 0.30599E-02 ppm1 7.694 ppm2 1.552 CV 1
OR { 93}
(( segid "PAH3" and resid 470 and name HG1 ))
(( segid "PAH3" and resid 469 and name HN ))
OR { 93}
(( segid "PAH3" and resid 467 and name HB2 ))
(( segid "PAH3" and resid 469 and name HN ))
ASSI { 94}
(( segid "PAH3" and resid 471 and name HN ))
(( segid "PAH3" and resid 470 and name HN ))
2.500 0.800 0.800 peak 94 spectrum 1 weight 0.10000E+01 volume 0.81885E-02 ppm1 7.599 ppm2 7.863 CV 1
ASSI { 95}
(( segid "PAH3" and resid 469 and name HN ))
(( segid "PAH3" and resid 470 and name HN ))
2.300 0.700 0.700 peak 95 spectrum 1 weight 0.10000E+01 volume 0.12355E-01 ppm1 7.598 ppm2 7.707 CV 1
ASSI { 96}
(( segid "PAH3" and resid 469 and name HA ))
(( segid "PAH3" and resid 470 and name HN ))
3.500 1.500 1.500 peak 96 spectrum 1 weight 0.10000E+01 volume 0.17814E-02 ppm1 7.597 ppm2 4.285 CV 1
ASSI { 97}
(( segid "PAH3" and resid 470 and name HA ))
(( segid "PAH3" and resid 470 and name HN ))
2.700 0.900 0.900 peak 97 spectrum 1 weight 0.10000E+01 volume 0.68166E-02 ppm1 7.600 ppm2 3.697 CV 1
ASSI { 98}
(( segid "PAH3" and resid 467 and name HA ))
(( segid "PAH3" and resid 470 and name HN ))
3.600 1.600 1.600 peak 98 spectrum 1 weight 0.10000E+01 volume 0.13360E-02 ppm1 7.599 ppm2 3.550 CV 1
ASSI { 99}
(( segid "PAH3" and resid 469 and name HB1 ))
(( segid "PAH3" and resid 470 and name HN ))
2.700 0.900 0.900 peak 99 spectrum 1 weight 0.10000E+01 volume 0.47982E-02 ppm1 7.599 ppm2 2.737 CV 1
ASSI { 100}
(( segid "PAH3" and resid 469 and name HB2 ))
(( segid "PAH3" and resid 470 and name HN ))
3.700 1.700 1.700 peak 100 spectrum 1 weight 0.10000E+01 volume 0.39291E-02 ppm1 7.598 ppm2 2.583 CV 1
ASSI { 101}
( segid "PAH3" and resid 471 and name HG2%)
(( segid "PAH3" and resid 470 and name HN ))
4.300 4.300 1.700 peak 101 spectrum 1 weight 0.10000E+01 volume 0.10487E-02 ppm1 7.598 ppm2 -0.021 CV 1
ASSI { 102}
(( segid "PAH3" and resid 470 and name HB2 ))
(( segid "PAH3" and resid 470 and name HN ))
2.200 0.600 0.600 peak 102 spectrum 1 weight 0.10000E+01 volume 0.15587E-01 ppm1 7.601 ppm2 1.531 CV 1
OR { 102}
(( segid "PAH3" and resid 470 and name HG1 ))
(( segid "PAH3" and resid 470 and name HN ))
ASSI { 104}
(( segid "PAH3" and resid 467 and name HA ))
(( segid "PAH3" and resid 471 and name HN ))
3.700 1.700 1.700 peak 104 spectrum 1 weight 0.10000E+01 volume 0.17526E-02 ppm1 7.861 ppm2 3.553 CV 1
OR { 104}
(( segid "PAH3" and resid 468 and name HB1 ))
(( segid "PAH3" and resid 471 and name HN ))
ASSI { 105}
(( segid "PAH3" and resid 468 and name HA ))
(( segid "PAH3" and resid 471 and name HN ))
2.800 1.000 1.000 peak 105 spectrum 1 weight 0.10000E+01 volume 0.63928E-02 ppm1 7.862 ppm2 3.690 CV 1
OR { 105}
(( segid "PAH3" and resid 470 and name HA ))
(( segid "PAH3" and resid 471 and name HN ))
ASSI { 106}
(( segid "PAH3" and resid 471 and name HA ))
(( segid "PAH3" and resid 471 and name HN ))
2.800 1.000 1.000 peak 106 spectrum 1 weight 0.10000E+01 volume 0.43313E-02 ppm1 7.867 ppm2 2.876 CV 1
ASSI { 107}
(( segid "PAH3" and resid 471 and name HB ))
(( segid "PAH3" and resid 471 and name HN ))
2.300 0.600 0.600 peak 107 spectrum 1 weight 0.10000E+01 volume 0.17095E-01 ppm1 7.864 ppm2 1.775 CV 1
OR { 107}
(( segid "PAH3" and resid 470 and name HB1 ))
(( segid "PAH3" and resid 471 and name HN ))
ASSI { 108}
(( segid "PAH3" and resid 470 and name HB2 ))
(( segid "PAH3" and resid 471 and name HN ))
2.700 0.900 0.900 peak 108 spectrum 1 weight 0.10000E+01 volume 0.67232E-02 ppm1 7.861 ppm2 1.511 CV 1
OR { 108}
(( segid "PAH3" and resid 470 and name HG1 ))
(( segid "PAH3" and resid 471 and name HN ))
OR { 108}
( segid "PAH3" and resid 478 and name HB% )
(( segid "PAH3" and resid 480 and name HN ))
ASSI { 109}
( segid "PAH3" and resid 515 and name HD2%)
(( segid "PAH3" and resid 471 and name HN ))
3.900 1.900 1.900 peak 109 spectrum 1 weight 0.10000E+01 volume 0.12355E-02 ppm1 7.861 ppm2 0.452 CV 1
OR { 109}
( segid "PAH3" and resid 509 and name HD2%)
(( segid "PAH3" and resid 471 and name HN ))
ASSI { 110}
( segid "PAH3" and resid 474 and name HB% )
(( segid "PAH3" and resid 471 and name HN ))
4.000 2.000 2.000 peak 110 spectrum 1 weight 0.10000E+01 volume 0.11277E-02 ppm1 7.866 ppm2 0.307 CV 1
ASSI { 111}
( segid "PAH3" and resid 471 and name HG1%)
(( segid "PAH3" and resid 471 and name HN ))
3.700 1.700 1.700 peak 111 spectrum 1 weight 0.10000E+01 volume 0.36848E-02 ppm1 7.867 ppm2 0.194 CV 1
ASSI { 112}
( segid "PAH3" and resid 471 and name HG2%)
(( segid "PAH3" and resid 471 and name HN ))
2.400 2.400 3.600 peak 112 spectrum 1 weight 0.10000E+01 volume 0.10415E-01 ppm1 7.864 ppm2 -0.017 CV 1
ASSI { 114}
( segid "PAH3" and resid 481 and name HE% )
(( segid "PAH3" and resid 472 and name HN ))
3.700 1.700 1.700 peak 114 spectrum 1 weight 0.10000E+01 volume 0.12786E-02 ppm1 7.846 ppm2 6.710 CV 1
ASSI { 115}
(( segid "PAH3" and resid 469 and name HA ))
(( segid "PAH3" and resid 472 and name HN ))
3.300 1.400 1.400 peak 115 spectrum 1 weight 0.10000E+01 volume 0.18963E-02 ppm1 7.849 ppm2 4.274 CV 1
ASSI { 116}
(( segid "PAH3" and resid 471 and name HA ))
(( segid "PAH3" and resid 472 and name HN ))
3.300 1.400 1.400 peak 116 spectrum 1 weight 0.10000E+01 volume 0.32108E-02 ppm1 7.845 ppm2 2.874 CV 1
OR { 116}
(( segid "PAH3" and resid 472 and name HD1 ))
(( segid "PAH3" and resid 472 and name HN ))
OR { 116}
(( segid "PAH3" and resid 472 and name HD2 ))
(( segid "PAH3" and resid 472 and name HN ))
ASSI { 117}
(( segid "PAH3" and resid 471 and name HB ))
(( segid "PAH3" and resid 472 and name HN ))
2.400 0.700 0.700 peak 117 spectrum 1 weight 0.10000E+01 volume 0.83322E-02 ppm1 7.847 ppm2 1.781 CV 1
ASSI { 118}
(( segid "PAH3" and resid 472 and name HG1 ))
(( segid "PAH3" and resid 472 and name HN ))
3.800 1.800 1.800 peak 118 spectrum 1 weight 0.10000E+01 volume 0.35053E-02 ppm1 7.847 ppm2 0.828 CV 1
OR { 118}
(( segid "PAH3" and resid 472 and name HG2 ))
(( segid "PAH3" and resid 472 and name HN ))
ASSI { 119}
( segid "PAH3" and resid 471 and name HG1%)
(( segid "PAH3" and resid 472 and name HN ))
3.500 1.500 1.500 peak 119 spectrum 1 weight 0.10000E+01 volume 0.29953E-02 ppm1 7.847 ppm2 0.195 CV 1
ASSI { 120}
( segid "PAH3" and resid 471 and name HG2%)
(( segid "PAH3" and resid 472 and name HN ))
3.800 3.800 2.200 peak 120 spectrum 1 weight 0.10000E+01 volume 0.22770E-02 ppm1 7.848 ppm2 -0.021 CV 1
ASSI { 121}
(( segid "PAH3" and resid 472 and name HN ))
(( segid "PAH3" and resid 473 and name HN ))
2.500 0.800 0.800 peak 121 spectrum 1 weight 0.10000E+01 volume 0.91942E-02 ppm1 7.386 ppm2 7.864 CV 1
ASSI { 123}
(( segid "PAH3" and resid 473 and name HA ))
(( segid "PAH3" and resid 473 and name HN ))
2.700 0.900 0.900 peak 123 spectrum 1 weight 0.10000E+01 volume 0.71829E-02 ppm1 7.388 ppm2 3.828 CV 1
ASSI { 124}
(( segid "PAH3" and resid 470 and name HA ))
(( segid "PAH3" and resid 473 and name HN ))
3.000 1.100 1.100 peak 124 spectrum 1 weight 0.10000E+01 volume 0.49634E-02 ppm1 7.388 ppm2 3.693 CV 1
OR { 124}
(( segid "PAH3" and resid 474 and name HA ))
(( segid "PAH3" and resid 473 and name HN ))
ASSI { 125}
(( segid "PAH3" and resid 472 and name HA ))
(( segid "PAH3" and resid 473 and name HN ))
3.500 1.600 1.600 peak 125 spectrum 1 weight 0.10000E+01 volume 0.15587E-02 ppm1 7.386 ppm2 3.089 CV 1
ASSI { 126}
(( segid "PAH3" and resid 471 and name HA ))
(( segid "PAH3" and resid 473 and name HN ))
3.600 1.600 1.600 peak 126 spectrum 1 weight 0.10000E+01 volume 0.97688E-03 ppm1 7.391 ppm2 2.875 CV 1
OR { 126}
(( segid "PAH3" and resid 472 and name HD1 ))
(( segid "PAH3" and resid 473 and name HN ))
ASSI { 127}
(( segid "PAH3" and resid 473 and name HB1 ))
(( segid "PAH3" and resid 473 and name HN ))
2.400 0.700 0.700 peak 127 spectrum 1 weight 0.10000E+01 volume 0.11205E-01 ppm1 7.388 ppm2 1.703 CV 1
ASSI { 128}
(( segid "PAH3" and resid 473 and name HB2 ))
(( segid "PAH3" and resid 473 and name HN ))
2.300 0.700 0.700 peak 128 spectrum 1 weight 0.10000E+01 volume 0.16305E-01 ppm1 7.388 ppm2 1.600 CV 1
ASSI { 129}
(( segid "PAH3" and resid 473 and name HG2 ))
(( segid "PAH3" and resid 473 and name HN ))
3.800 1.800 1.800 peak 129 spectrum 1 weight 0.10000E+01 volume 0.30527E-02 ppm1 7.386 ppm2 1.276 CV 1
ASSI { 130}
(( segid "PAH3" and resid 472 and name HB2 ))
(( segid "PAH3" and resid 473 and name HN ))
3.700 1.700 1.700 peak 130 spectrum 1 weight 0.10000E+01 volume 0.31174E-02 ppm1 7.389 ppm2 1.000 CV 1
ASSI { 131}
(( segid "PAH3" and resid 472 and name HG2 ))
(( segid "PAH3" and resid 473 and name HN ))
3.900 1.900 1.900 peak 131 spectrum 1 weight 0.10000E+01 volume 0.16162E-02 ppm1 7.386 ppm2 0.821 CV 1
OR { 131}
(( segid "PAH3" and resid 472 and name HG1 ))
(( segid "PAH3" and resid 473 and name HN ))
ASSI { 132}
( segid "PAH3" and resid 474 and name HB% )
(( segid "PAH3" and resid 473 and name HN ))
4.300 2.300 1.700 peak 132 spectrum 1 weight 0.10000E+01 volume 0.14366E-02 ppm1 7.386 ppm2 0.308 CV 1
ASSI { 133}
(( segid "PAH3" and resid 473 and name HN ))
(( segid "PAH3" and resid 474 and name HN ))
2.400 0.700 0.700 peak 133 spectrum 1 weight 0.10000E+01 volume 0.11852E-01 ppm1 7.756 ppm2 7.386 CV 1
ASSI { 134}
(( segid "PAH3" and resid 474 and name HA ))
(( segid "PAH3" and resid 474 and name HN ))
2.500 0.800 0.800 peak 134 spectrum 1 weight 0.10000E+01 volume 0.10703E-01 ppm1 7.754 ppm2 3.701 CV 1
OR { 134}
(( segid "PAH3" and resid 470 and name HA ))
(( segid "PAH3" and resid 474 and name HN ))
ASSI { 135}
(( segid "PAH3" and resid 473 and name HA ))
(( segid "PAH3" and resid 474 and name HN ))
3.000 1.100 1.100 peak 135 spectrum 1 weight 0.10000E+01 volume 0.50065E-02 ppm1 7.755 ppm2 3.829 CV 1
ASSI { 137}
( segid "PAH3" and resid 474 and name HB% )
(( segid "PAH3" and resid 474 and name HN ))
2.300 0.600 0.600 peak 137 spectrum 1 weight 0.10000E+01 volume 0.19035E-01 ppm1 7.754 ppm2 0.308 CV 1
ASSI { 138}
(( segid "PAH3" and resid 473 and name HG1 ))
(( segid "PAH3" and resid 474 and name HN ))
3.800 1.800 1.800 peak 138 spectrum 1 weight 0.10000E+01 volume 0.22626E-02 ppm1 7.757 ppm2 1.428 CV 1
OR { 138}
(( segid "PAH3" and resid 472 and name HB1 ))
(( segid "PAH3" and resid 474 and name HN ))
ASSI { 139}
(( segid "PAH3" and resid 473 and name HB1 ))
(( segid "PAH3" and resid 474 and name HN ))
2.500 0.800 0.800 peak 139 spectrum 1 weight 0.10000E+01 volume 0.69172E-02 ppm1 7.757 ppm2 1.695 CV 1
ASSI { 140}
(( segid "PAH3" and resid 473 and name HB2 ))
(( segid "PAH3" and resid 474 and name HN ))
3.400 1.400 1.400 peak 140 spectrum 1 weight 0.10000E+01 volume 0.67304E-02 ppm1 7.755 ppm2 1.599 CV 1
ASSI { 141}
(( segid "PAH3" and resid 472 and name HB2 ))
(( segid "PAH3" and resid 474 and name HN ))
4.000 2.000 2.000 peak 141 spectrum 1 weight 0.10000E+01 volume 0.67591E-03 ppm1 7.751 ppm2 0.985 CV 1
OR { 141}
( segid "PAH3" and resid 475 and name HD1%)
(( segid "PAH3" and resid 474 and name HN ))
ASSI { 142}
(( segid "PAH3" and resid 476 and name HN ))
(( segid "PAH3" and resid 475 and name HN ))
2.600 0.800 0.800 peak 142 spectrum 1 weight 0.10000E+01 volume 0.80449E-02 ppm1 7.837 ppm2 7.383 CV 1
ASSI { 143}
(( segid "PAH3" and resid 473 and name HA ))
(( segid "PAH3" and resid 475 and name HN ))
3.400 1.400 1.400 peak 143 spectrum 1 weight 0.10000E+01 volume 0.16377E-02 ppm1 7.839 ppm2 3.808 CV 1
OR { 143}
(( segid "PAH3" and resid 476 and name HA ))
(( segid "PAH3" and resid 475 and name HN ))
ASSI { 144}
(( segid "PAH3" and resid 472 and name HA ))
(( segid "PAH3" and resid 475 and name HN ))
3.600 1.600 1.600 peak 144 spectrum 1 weight 0.10000E+01 volume 0.12570E-02 ppm1 7.838 ppm2 3.092 CV 1
ASSI { 145}
(( segid "PAH3" and resid 475 and name HG ))
(( segid "PAH3" and resid 475 and name HN ))
2.700 2.700 3.300 peak 145 spectrum 1 weight 0.10000E+01 volume 0.10918E-01 ppm1 7.835 ppm2 1.843 CV 1
ASSI { 146}
(( segid "PAH3" and resid 475 and name HB1 ))
(( segid "PAH3" and resid 475 and name HN ))
3.000 1.100 1.100 peak 146 spectrum 1 weight 0.10000E+01 volume 0.11780E-01 ppm1 7.835 ppm2 1.721 CV 1
ASSI { 147}
(( segid "PAH3" and resid 475 and name HB2 ))
(( segid "PAH3" and resid 475 and name HN ))
2.500 0.800 0.800 peak 147 spectrum 1 weight 0.10000E+01 volume 0.60480E-02 ppm1 7.837 ppm2 1.513 CV 1
ASSI { 148}
(( segid "PAH3" and resid 527 and name HB2 ))
(( segid "PAH3" and resid 527 and name HN ))
3.000 1.100 1.100 peak 148 spectrum 1 weight 0.10000E+01 volume 0.39147E-02 ppm1 8.169 ppm2 1.856 CV 1
ASSI { 149}
( segid "PAH3" and resid 515 and name HD2%)
(( segid "PAH3" and resid 475 and name HN ))
3.100 1.200 1.200 peak 149 spectrum 1 weight 0.10000E+01 volume 0.11852E-02 ppm1 7.835 ppm2 0.455 CV 1
OR { 149}
( segid "PAH3" and resid 509 and name HD2%)
(( segid "PAH3" and resid 475 and name HN ))
ASSI { 150}
( segid "PAH3" and resid 474 and name HB% )
(( segid "PAH3" and resid 475 and name HN ))
2.500 0.800 0.800 peak 150 spectrum 1 weight 0.10000E+01 volume 0.77576E-02 ppm1 7.835 ppm2 0.303 CV 1
ASSI { 151}
(( segid "PAH3" and resid 477 and name HN ))
(( segid "PAH3" and resid 476 and name HN ))
3.000 1.100 1.100 peak 151 spectrum 1 weight 0.10000E+01 volume 0.37639E-02 ppm1 7.379 ppm2 8.378 CV 1
ASSI { 153}
(( segid "PAH3" and resid 475 and name HA ))
(( segid "PAH3" and resid 476 and name HN ))
3.000 1.200 1.200 peak 153 spectrum 1 weight 0.10000E+01 volume 0.41877E-02 ppm1 7.380 ppm2 4.150 CV 1
ASSI { 154}
(( segid "PAH3" and resid 476 and name HA ))
(( segid "PAH3" and resid 476 and name HN ))
2.100 0.500 0.500 peak 154 spectrum 1 weight 0.10000E+01 volume 0.26792E-01 ppm1 7.382 ppm2 3.798 CV 1
ASSI { 155}
(( segid "PAH3" and resid 476 and name HB2 ))
(( segid "PAH3" and resid 476 and name HN ))
2.800 1.000 1.000 peak 155 spectrum 1 weight 0.10000E+01 volume 0.73984E-02 ppm1 7.384 ppm2 2.029 CV 1
OR { 155}
(( segid "PAH3" and resid 476 and name HB1 ))
(( segid "PAH3" and resid 476 and name HN ))
ASSI { 156}
(( segid "PAH3" and resid 475 and name HB2 ))
(( segid "PAH3" and resid 476 and name HN ))
2.800 1.000 1.000 peak 156 spectrum 1 weight 0.10000E+01 volume 0.34765E-02 ppm1 7.378 ppm2 1.503 CV 1
ASSI { 157}
(( segid "PAH3" and resid 475 and name HB1 ))
(( segid "PAH3" and resid 476 and name HN ))
2.700 0.900 0.900 peak 157 spectrum 1 weight 0.10000E+01 volume 0.10272E-01 ppm1 7.381 ppm2 1.695 CV 1
OR { 157}
(( segid "PAH3" and resid 476 and name HG1 ))
(( segid "PAH3" and resid 476 and name HN ))
ASSI { 158}
(( segid "PAH3" and resid 478 and name HN ))
(( segid "PAH3" and resid 477 and name HN ))
4.800 2.900 1.200 peak 158 spectrum 1 weight 0.10000E+01 volume 0.76139E-03 ppm1 8.379 ppm2 9.048 CV 1
ASSI { 159}
(( segid "PAH3" and resid 475 and name HN ))
(( segid "PAH3" and resid 477 and name HN ))
3.500 1.500 1.500 peak 159 spectrum 1 weight 0.10000E+01 volume 0.24278E-02 ppm1 8.379 ppm2 7.849 CV 1
OR { 159}
(( segid "PAH3" and resid 481 and name HN ))
(( segid "PAH3" and resid 477 and name HN ))
ASSI { 160}
(( segid "PAH3" and resid 476 and name HN ))
(( segid "PAH3" and resid 477 and name HN ))
2.800 0.900 0.900 peak 160 spectrum 1 weight 0.10000E+01 volume 0.63856E-02 ppm1 8.377 ppm2 7.378 CV 1
ASSI { 162}
(( segid "PAH3" and resid 477 and name HB1 ))
(( segid "PAH3" and resid 477 and name HN ))
2.600 0.800 0.800 peak 162 spectrum 1 weight 0.10000E+01 volume 0.73984E-02 ppm1 8.380 ppm2 4.233 CV 1
ASSI { 163}
(( segid "PAH3" and resid 475 and name HA ))
(( segid "PAH3" and resid 477 and name HN ))
3.100 1.200 1.200 peak 163 spectrum 1 weight 0.10000E+01 volume 0.33113E-02 ppm1 8.380 ppm2 4.122 CV 1
ASSI { 164}
(( segid "PAH3" and resid 477 and name HB2 ))
(( segid "PAH3" and resid 477 and name HN ))
2.300 0.700 0.700 peak 164 spectrum 1 weight 0.10000E+01 volume 0.16808E-01 ppm1 8.380 ppm2 3.787 CV 1
OR { 164}
(( segid "PAH3" and resid 476 and name HA ))
(( segid "PAH3" and resid 477 and name HN ))
ASSI { 165}
(( segid "PAH3" and resid 476 and name HD1 ))
(( segid "PAH3" and resid 477 and name HN ))
3.200 3.200 2.800 peak 165 spectrum 1 weight 0.10000E+01 volume 0.91223E-03 ppm1 8.375 ppm2 3.243 CV 1
OR { 165}
(( segid "PAH3" and resid 476 and name HD2 ))
(( segid "PAH3" and resid 477 and name HN ))
ASSI { 166}
(( segid "PAH3" and resid 476 and name HB1 ))
(( segid "PAH3" and resid 477 and name HN ))
2.500 0.800 0.800 peak 166 spectrum 1 weight 0.10000E+01 volume 0.99125E-02 ppm1 8.380 ppm2 2.028 CV 1
OR { 166}
(( segid "PAH3" and resid 476 and name HB2 ))
(( segid "PAH3" and resid 477 and name HN ))
ASSI { 167}
( segid "PAH3" and resid 480 and name HB% )
(( segid "PAH3" and resid 477 and name HN ))
2.800 1.000 1.000 peak 167 spectrum 1 weight 0.10000E+01 volume 0.70321E-02 ppm1 8.380 ppm2 1.666 CV 1
OR { 167}
(( segid "PAH3" and resid 476 and name HG2 ))
(( segid "PAH3" and resid 477 and name HN ))
OR { 167}
(( segid "PAH3" and resid 476 and name HG1 ))
(( segid "PAH3" and resid 477 and name HN ))
ASSI { 168}
(( segid "PAH3" and resid 475 and name HB1 ))
(( segid "PAH3" and resid 477 and name HN ))
2.800 1.000 1.000 peak 168 spectrum 1 weight 0.10000E+01 volume 0.38070E-02 ppm1 8.380 ppm2 1.766 CV 1
ASSI { 169}
(( segid "PAH3" and resid 475 and name HB2 ))
(( segid "PAH3" and resid 477 and name HN ))
3.300 1.400 1.400 peak 169 spectrum 1 weight 0.10000E+01 volume 0.48916E-02 ppm1 8.380 ppm2 1.502 CV 1
ASSI { 170}
( segid "PAH3" and resid 475 and name HD1%)
(( segid "PAH3" and resid 477 and name HN ))
4.800 2.900 1.200 peak 170 spectrum 1 weight 0.10000E+01 volume 0.66586E-03 ppm1 8.378 ppm2 0.972 CV 1
ASSI { 171}
( segid "PAH3" and resid 475 and name HD2%)
(( segid "PAH3" and resid 477 and name HN ))
4.800 2.900 1.200 peak 171 spectrum 1 weight 0.10000E+01 volume 0.67807E-03 ppm1 8.378 ppm2 0.675 CV 1
ASSI { 172}
(( segid "PAH3" and resid 477 and name HA ))
(( segid "PAH3" and resid 477 and name HN ))
2.600 0.800 0.800 peak 172 spectrum 1 weight 0.10000E+01 volume 0.83322E-02 ppm1 8.380 ppm2 4.666 CV 1
ASSI { 173}
( segid "PAH3" and resid 478 and name HB% )
(( segid "PAH3" and resid 478 and name HN ))
4.000 2.000 2.000 peak 173 spectrum 1 weight 0.10000E+01 volume 0.61199E-03 ppm1 9.041 ppm2 1.506 CV 1
ASSI { 174}
(( segid "PAH3" and resid 478 and name HN ))
(( segid "PAH3" and resid 479 and name HN ))
3.700 1.700 1.700 peak 174 spectrum 1 weight 0.10000E+01 volume 0.85477E-03 ppm1 8.614 ppm2 9.052 CV 1
ASSI { 175}
(( segid "PAH3" and resid 480 and name HN ))
(( segid "PAH3" and resid 479 and name HN ))
2.600 0.800 0.800 peak 175 spectrum 1 weight 0.10000E+01 volume 0.75421E-02 ppm1 8.612 ppm2 7.886 CV 1
ASSI { 176}
(( segid "PAH3" and resid 478 and name HA ))
(( segid "PAH3" and resid 479 and name HN ))
3.000 1.100 1.100 peak 176 spectrum 1 weight 0.10000E+01 volume 0.47264E-02 ppm1 8.611 ppm2 4.228 CV 1
OR { 176}
(( segid "PAH3" and resid 477 and name HB1 ))
(( segid "PAH3" and resid 479 and name HN ))
ASSI { 177}
(( segid "PAH3" and resid 479 and name HA ))
(( segid "PAH3" and resid 479 and name HN ))
2.600 0.900 0.900 peak 177 spectrum 1 weight 0.10000E+01 volume 0.77576E-02 ppm1 8.610 ppm2 4.078 CV 1
ASSI { 178}
(( segid "PAH3" and resid 479 and name HG2 ))
(( segid "PAH3" and resid 479 and name HN ))
3.100 1.200 1.200 peak 178 spectrum 1 weight 0.10000E+01 volume 0.47910E-02 ppm1 8.614 ppm2 2.352 CV 1
OR { 178}
(( segid "PAH3" and resid 479 and name HG1 ))
(( segid "PAH3" and resid 479 and name HN ))
ASSI { 179}
(( segid "PAH3" and resid 479 and name HB1 ))
(( segid "PAH3" and resid 479 and name HN ))
2.800 1.000 1.000 peak 179 spectrum 1 weight 0.10000E+01 volume 0.10703E-01 ppm1 8.612 ppm2 2.112 CV 1
ASSI { 180}
(( segid "PAH3" and resid 479 and name HB2 ))
(( segid "PAH3" and resid 479 and name HN ))
2.500 0.800 0.800 peak 180 spectrum 1 weight 0.10000E+01 volume 0.79731E-02 ppm1 8.613 ppm2 1.948 CV 1
ASSI { 181}
( segid "PAH3" and resid 478 and name HB% )
(( segid "PAH3" and resid 479 and name HN ))
2.700 0.900 0.900 peak 181 spectrum 1 weight 0.10000E+01 volume 0.79012E-02 ppm1 8.613 ppm2 1.509 CV 1
ASSI { 182}
( segid "PAH3" and resid 480 and name HB% )
(( segid "PAH3" and resid 479 and name HN ))
4.200 2.200 1.800 peak 182 spectrum 1 weight 0.10000E+01 volume 0.14007E-02 ppm1 8.609 ppm2 1.649 CV 1
ASSI { 184}
(( segid "PAH3" and resid 480 and name HA ))
(( segid "PAH3" and resid 480 and name HN ))
2.700 0.900 0.900 peak 184 spectrum 1 weight 0.10000E+01 volume 0.58685E-02 ppm1 7.894 ppm2 4.487 CV 1
ASSI { 185}
(( segid "PAH3" and resid 477 and name HB1 ))
(( segid "PAH3" and resid 480 and name HN ))
3.000 1.200 1.200 peak 185 spectrum 1 weight 0.10000E+01 volume 0.24494E-02 ppm1 7.894 ppm2 4.229 CV 1
ASSI { 186}
(( segid "PAH3" and resid 479 and name HA ))
(( segid "PAH3" and resid 480 and name HN ))
3.300 1.300 1.300 peak 186 spectrum 1 weight 0.10000E+01 volume 0.28588E-02 ppm1 7.893 ppm2 4.084 CV 1
ASSI { 187}
(( segid "PAH3" and resid 477 and name HB2 ))
(( segid "PAH3" and resid 480 and name HN ))
3.400 1.400 1.400 peak 187 spectrum 1 weight 0.10000E+01 volume 0.37423E-02 ppm1 7.893 ppm2 3.775 CV 1
ASSI { 188}
(( segid "PAH3" and resid 479 and name HG2 ))
(( segid "PAH3" and resid 480 and name HN ))
3.600 1.600 1.600 peak 188 spectrum 1 weight 0.10000E+01 volume 0.28373E-02 ppm1 7.893 ppm2 2.345 CV 1
OR { 188}
(( segid "PAH3" and resid 479 and name HG1 ))
(( segid "PAH3" and resid 480 and name HN ))
ASSI { 189}
(( segid "PAH3" and resid 479 and name HB1 ))
(( segid "PAH3" and resid 480 and name HN ))
2.900 1.100 1.100 peak 189 spectrum 1 weight 0.10000E+01 volume 0.44534E-02 ppm1 7.893 ppm2 2.111 CV 1
ASSI { 190}
(( segid "PAH3" and resid 479 and name HB2 ))
(( segid "PAH3" and resid 480 and name HN ))
2.800 1.000 1.000 peak 190 spectrum 1 weight 0.10000E+01 volume 0.51861E-02 ppm1 7.894 ppm2 1.955 CV 1
ASSI { 191}
( segid "PAH3" and resid 480 and name HB% )
(( segid "PAH3" and resid 480 and name HN ))
2.100 0.600 0.600 peak 191 spectrum 1 weight 0.10000E+01 volume 0.20328E-01 ppm1 7.896 ppm2 1.661 CV 1
ASSI { 192}
(( segid "PAH3" and resid 500 and name HN ))
(( segid "PAH3" and resid 501 and name HN ))
2.500 0.800 0.800 peak 192 spectrum 1 weight 0.10000E+01 volume 0.88350E-02 ppm1 8.591 ppm2 7.830 CV 1
OR { 192}
(( segid "PAH3" and resid 502 and name HN ))
(( segid "PAH3" and resid 501 and name HN ))
ASSI { 193}
(( segid "PAH3" and resid 501 and name HN ))
(( segid "PAH3" and resid 502 and name HN ))
2.300 0.700 0.700 peak 193 spectrum 1 weight 0.10000E+01 volume 0.11996E-01 ppm1 7.833 ppm2 8.563 CV 1
ASSI { 194}
(( segid "PAH3" and resid 494 and name HN ))
(( segid "PAH3" and resid 495 and name HN ))
2.500 0.800 0.800 peak 194 spectrum 1 weight 0.10000E+01 volume 0.94815E-02 ppm1 7.819 ppm2 8.046 CV 1
ASSI { 195}
(( segid "PAH3" and resid 503 and name HN ))
(( segid "PAH3" and resid 502 and name HN ))
2.500 0.800 0.800 peak 195 spectrum 1 weight 0.10000E+01 volume 0.71255E-02 ppm1 7.835 ppm2 7.545 CV 1
ASSI { 196}
(( segid "PAH3" and resid 496 and name HN ))
(( segid "PAH3" and resid 495 and name HN ))
2.500 0.800 0.800 peak 196 spectrum 1 weight 0.10000E+01 volume 0.81167E-02 ppm1 7.818 ppm2 6.534 CV 1
ASSI { 197}
(( segid "PAH3" and resid 481 and name HA ))
(( segid "PAH3" and resid 481 and name HN ))
2.600 0.800 0.800 peak 197 spectrum 1 weight 0.10000E+01 volume 0.89787E-02 ppm1 7.837 ppm2 4.127 CV 1
OR { 197}
(( segid "PAH3" and resid 490 and name HA ))
(( segid "PAH3" and resid 495 and name HN ))
ASSI { 198}
(( segid "PAH3" and resid 478 and name HA ))
(( segid "PAH3" and resid 481 and name HN ))
3.000 1.100 1.100 peak 198 spectrum 1 weight 0.10000E+01 volume 0.50424E-02 ppm1 7.837 ppm2 4.231 CV 1
OR { 198}
(( segid "PAH3" and resid 477 and name HB1 ))
(( segid "PAH3" and resid 481 and name HN ))
OR { 198}
(( segid "PAH3" and resid 493 and name HA ))
(( segid "PAH3" and resid 495 and name HN ))
ASSI { 199}
(( segid "PAH3" and resid 501 and name HA ))
(( segid "PAH3" and resid 502 and name HN ))
2.800 1.000 1.000 peak 199 spectrum 1 weight 0.10000E+01 volume 0.62779E-02 ppm1 7.835 ppm2 4.013 CV 1
OR { 199}
(( segid "PAH3" and resid 499 and name HA ))
(( segid "PAH3" and resid 502 and name HN ))
OR { 199}
(( segid "PAH3" and resid 498 and name HA ))
(( segid "PAH3" and resid 502 and name HN ))
ASSI { 200}
(( segid "PAH3" and resid 494 and name HA ))
(( segid "PAH3" and resid 495 and name HN ))
2.800 1.000 1.000 peak 200 spectrum 1 weight 0.10000E+01 volume 0.47910E-02 ppm1 7.816 ppm2 3.882 CV 1
ASSI { 201}
(( segid "PAH3" and resid 495 and name HA ))
(( segid "PAH3" and resid 495 and name HN ))
2.800 1.000 1.000 peak 201 spectrum 1 weight 0.10000E+01 volume 0.49634E-02 ppm1 7.815 ppm2 3.475 CV 1
ASSI { 202}
(( segid "PAH3" and resid 502 and name HA ))
(( segid "PAH3" and resid 502 and name HN ))
2.700 0.900 0.900 peak 202 spectrum 1 weight 0.10000E+01 volume 0.51645E-02 ppm1 7.834 ppm2 3.586 CV 1
ASSI { 203}
(( segid "PAH3" and resid 501 and name HB1 ))
(( segid "PAH3" and resid 502 and name HN ))
2.500 0.800 0.800 peak 203 spectrum 1 weight 0.10000E+01 volume 0.69244E-02 ppm1 7.831 ppm2 2.245 CV 1
OR { 203}
(( segid "PAH3" and resid 493 and name HB1 ))
(( segid "PAH3" and resid 495 and name HN ))
ASSI { 204}
(( segid "PAH3" and resid 502 and name HB ))
(( segid "PAH3" and resid 502 and name HN ))
2.100 0.600 0.600 peak 204 spectrum 1 weight 0.10000E+01 volume 0.24063E-01 ppm1 7.826 ppm2 1.917 CV 1
OR { 204}
(( segid "PAH3" and resid 495 and name HB ))
(( segid "PAH3" and resid 495 and name HN ))
ASSI { 205}
( segid "PAH3" and resid 480 and name HB% )
(( segid "PAH3" and resid 481 and name HN ))
2.300 0.700 0.700 peak 205 spectrum 1 weight 0.10000E+01 volume 0.11062E-01 ppm1 7.837 ppm2 1.661 CV 1
ASSI { 206}
(( segid "PAH3" and resid 493 and name HB2 ))
(( segid "PAH3" and resid 495 and name HN ))
2.900 1.000 1.000 peak 206 spectrum 1 weight 0.10000E+01 volume 0.59834E-02 ppm1 7.836 ppm2 1.509 CV 1
OR { 206}
(( segid "PAH3" and resid 475 and name HB2 ))
(( segid "PAH3" and resid 481 and name HN ))
ASSI { 207}
( segid "PAH3" and resid 502 and name HG1%)
(( segid "PAH3" and resid 502 and name HN ))
2.900 1.100 1.100 peak 207 spectrum 1 weight 0.10000E+01 volume 0.17526E-01 ppm1 7.835 ppm2 0.716 CV 1
ASSI { 208}
( segid "PAH3" and resid 495 and name HG2%)
(( segid "PAH3" and resid 495 and name HN ))
2.400 0.700 0.700 peak 208 spectrum 1 weight 0.10000E+01 volume 0.10487E-01 ppm1 7.814 ppm2 0.279 CV 1
ASSI { 209}
(( segid "PAH3" and resid 483 and name HN ))
(( segid "PAH3" and resid 482 and name HN ))
2.300 0.700 0.700 peak 209 spectrum 1 weight 0.10000E+01 volume 0.13145E-01 ppm1 8.524 ppm2 7.853 CV 1
OR { 209}
(( segid "PAH3" and resid 481 and name HN ))
(( segid "PAH3" and resid 482 and name HN ))
ASSI { 210}
(( segid "PAH3" and resid 478 and name HA ))
(( segid "PAH3" and resid 482 and name HN ))
3.400 1.400 1.400 peak 210 spectrum 1 weight 0.10000E+01 volume 0.21118E-02 ppm1 8.525 ppm2 4.199 CV 1
ASSI { 211}
(( segid "PAH3" and resid 479 and name HA ))
(( segid "PAH3" and resid 482 and name HN ))
3.100 1.200 1.200 peak 211 spectrum 1 weight 0.10000E+01 volume 0.38213E-02 ppm1 8.518 ppm2 4.072 CV 1
ASSI { 212}
(( segid "PAH3" and resid 482 and name HA ))
(( segid "PAH3" and resid 482 and name HN ))
2.800 1.000 1.000 peak 212 spectrum 1 weight 0.10000E+01 volume 0.50927E-02 ppm1 8.522 ppm2 3.640 CV 1
ASSI { 213}
(( segid "PAH3" and resid 482 and name HG1 ))
(( segid "PAH3" and resid 482 and name HN ))
3.300 1.400 1.400 peak 213 spectrum 1 weight 0.10000E+01 volume 0.57248E-02 ppm1 8.522 ppm2 2.470 CV 1
ASSI { 214}
(( segid "PAH3" and resid 482 and name HB1 ))
(( segid "PAH3" and resid 482 and name HN ))
2.500 0.800 0.800 peak 214 spectrum 1 weight 0.10000E+01 volume 0.11205E-01 ppm1 8.521 ppm2 2.144 CV 1
ASSI { 215}
(( segid "PAH3" and resid 482 and name HB2 ))
(( segid "PAH3" and resid 482 and name HN ))
2.500 0.800 0.800 peak 215 spectrum 1 weight 0.10000E+01 volume 0.71686E-02 ppm1 8.521 ppm2 1.926 CV 1
ASSI { 217}
(( segid "PAH3" and resid 485 and name HN ))
(( segid "PAH3" and resid 483 and name HN ))
3.700 1.700 1.700 peak 217 spectrum 1 weight 0.10000E+01 volume 0.16233E-02 ppm1 7.849 ppm2 8.169 CV 1
OR { 217}
(( segid "PAH3" and resid 486 and name HN ))
(( segid "PAH3" and resid 483 and name HN ))
ASSI { 218}
(( segid "PAH3" and resid 483 and name HA ))
(( segid "PAH3" and resid 483 and name HN ))
2.700 0.900 0.900 peak 218 spectrum 1 weight 0.10000E+01 volume 0.66370E-02 ppm1 7.848 ppm2 4.498 CV 1
OR { 218}
(( segid "PAH3" and resid 480 and name HA ))
(( segid "PAH3" and resid 483 and name HN ))
ASSI { 219}
(( segid "PAH3" and resid 482 and name HA ))
(( segid "PAH3" and resid 483 and name HN ))
3.400 1.400 1.400 peak 219 spectrum 1 weight 0.10000E+01 volume 0.24709E-02 ppm1 7.849 ppm2 3.652 CV 1
OR { 219}
(( segid "PAH3" and resid 484 and name HA ))
(( segid "PAH3" and resid 483 and name HN ))
ASSI { 220}
(( segid "PAH3" and resid 482 and name HB1 ))
(( segid "PAH3" and resid 483 and name HN ))
2.700 2.700 3.300 peak 220 spectrum 1 weight 0.10000E+01 volume 0.48700E-02 ppm1 7.847 ppm2 2.179 CV 1
ASSI { 221}
(( segid "PAH3" and resid 485 and name HN ))
(( segid "PAH3" and resid 484 and name HN ))
2.500 0.800 0.800 peak 221 spectrum 1 weight 0.10000E+01 volume 0.70249E-02 ppm1 7.824 ppm2 8.181 CV 1
ASSI { 222}
(( segid "PAH3" and resid 483 and name HA ))
(( segid "PAH3" and resid 484 and name HN ))
3.500 1.500 1.500 peak 222 spectrum 1 weight 0.10000E+01 volume 0.17095E-02 ppm1 7.820 ppm2 4.508 CV 1
OR { 222}
(( segid "PAH3" and resid 483 and name HA ))
(( segid "PAH3" and resid 486 and name HH11))
ASSI { 223}
(( segid "PAH3" and resid 481 and name HA ))
(( segid "PAH3" and resid 484 and name HN ))
3.000 1.100 1.100 peak 223 spectrum 1 weight 0.10000E+01 volume 0.36202E-02 ppm1 7.821 ppm2 4.130 CV 1
ASSI { 224}
(( segid "PAH3" and resid 484 and name HA ))
(( segid "PAH3" and resid 484 and name HN ))
2.800 1.000 1.000 peak 224 spectrum 1 weight 0.10000E+01 volume 0.56530E-02 ppm1 7.825 ppm2 3.646 CV 1
ASSI { 225}
(( segid "PAH3" and resid 486 and name HD2 ))
(( segid "PAH3" and resid 486 and name HH11))
3.100 1.200 1.200 peak 225 spectrum 1 weight 0.10000E+01 volume 0.18676E-02 ppm1 7.823 ppm2 2.752 CV 1
OR { 225}
(( segid "PAH3" and resid 486 and name HD1 ))
(( segid "PAH3" and resid 486 and name HH11))
ASSI { 226}
(( segid "PAH3" and resid 483 and name HB1 ))
(( segid "PAH3" and resid 484 and name HN ))
2.600 0.900 0.900 peak 226 spectrum 1 weight 0.10000E+01 volume 0.66801E-02 ppm1 7.825 ppm2 3.082 CV 1
ASSI { 227}
(( segid "PAH3" and resid 484 and name HB1 ))
(( segid "PAH3" and resid 484 and name HN ))
2.300 0.700 0.700 peak 227 spectrum 1 weight 0.10000E+01 volume 0.10918E-01 ppm1 7.824 ppm2 3.193 CV 1
ASSI { 228}
(( segid "PAH3" and resid 484 and name HB2 ))
(( segid "PAH3" and resid 484 and name HN ))
2.600 0.800 0.800 peak 228 spectrum 1 weight 0.10000E+01 volume 0.96970E-02 ppm1 7.822 ppm2 2.238 CV 1
ASSI { 230}
( segid "PAH3" and resid 484 and name HD% )
(( segid "PAH3" and resid 485 and name HN ))
3.800 1.900 1.900 peak 230 spectrum 1 weight 0.10000E+01 volume 0.11493E-02 ppm1 8.184 ppm2 6.828 CV 1
ASSI { 231}
( segid "PAH3" and resid 481 and name HD% )
(( segid "PAH3" and resid 485 and name HN ))
4.000 2.000 2.000 peak 231 spectrum 1 weight 0.10000E+01 volume 0.11493E-02 ppm1 8.182 ppm2 6.946 CV 1
OR { 231}
( segid "PAH3" and resid 484 and name HE% )
(( segid "PAH3" and resid 485 and name HN ))
OR { 231}
(( segid "PAH3" and resid 488 and name HN ))
(( segid "PAH3" and resid 485 and name HN ))
ASSI { 232}
(( segid "PAH3" and resid 484 and name HA ))
(( segid "PAH3" and resid 485 and name HN ))
3.100 1.200 1.200 peak 232 spectrum 1 weight 0.10000E+01 volume 0.36058E-02 ppm1 8.186 ppm2 3.630 CV 1
OR { 232}
(( segid "PAH3" and resid 482 and name HA ))
(( segid "PAH3" and resid 485 and name HN ))
ASSI { 233}
(( segid "PAH3" and resid 485 and name HA ))
(( segid "PAH3" and resid 485 and name HN ))
2.700 0.900 0.900 peak 233 spectrum 1 weight 0.10000E+01 volume 0.37136E-02 ppm1 8.187 ppm2 3.448 CV 1
ASSI { 234}
(( segid "PAH3" and resid 484 and name HB1 ))
(( segid "PAH3" and resid 485 and name HN ))
2.500 0.800 0.800 peak 234 spectrum 1 weight 0.10000E+01 volume 0.46114E-02 ppm1 8.184 ppm2 3.182 CV 1
ASSI { 235}
(( segid "PAH3" and resid 484 and name HB2 ))
(( segid "PAH3" and resid 485 and name HN ))
3.900 1.900 1.900 peak 235 spectrum 1 weight 0.10000E+01 volume 0.30384E-02 ppm1 8.183 ppm2 2.228 CV 1
ASSI { 236}
(( segid "PAH3" and resid 485 and name HB1 ))
(( segid "PAH3" and resid 485 and name HN ))
3.100 1.200 1.200 peak 236 spectrum 1 weight 0.10000E+01 volume 0.57463E-02 ppm1 8.186 ppm2 1.962 CV 1
ASSI { 237}
(( segid "PAH3" and resid 485 and name HG ))
(( segid "PAH3" and resid 485 and name HN ))
2.300 0.700 0.700 peak 237 spectrum 1 weight 0.10000E+01 volume 0.91942E-02 ppm1 8.185 ppm2 1.203 CV 1
ASSI { 238}
(( segid "PAH3" and resid 485 and name HB2 ))
(( segid "PAH3" and resid 485 and name HN ))
2.600 0.900 0.900 peak 238 spectrum 1 weight 0.10000E+01 volume 0.45899E-02 ppm1 8.184 ppm2 0.949 CV 1
ASSI { 239}
( segid "PAH3" and resid 485 and name HD1%)
(( segid "PAH3" and resid 485 and name HN ))
3.500 1.500 1.500 peak 239 spectrum 1 weight 0.10000E+01 volume 0.60696E-02 ppm1 8.186 ppm2 0.507 CV 1
ASSI { 240}
(( segid "PAH3" and resid 527 and name HB1 ))
(( segid "PAH3" and resid 527 and name HN ))
3.700 1.700 1.700 peak 240 spectrum 1 weight 0.10000E+01 volume 0.14007E-02 ppm1 8.170 ppm2 2.041 CV 1
ASSI { 241}
(( segid "PAH3" and resid 527 and name HG2 ))
(( segid "PAH3" and resid 527 and name HN ))
3.700 1.700 1.700 peak 241 spectrum 1 weight 0.10000E+01 volume 0.19609E-02 ppm1 8.167 ppm2 2.232 CV 1
OR { 241}
(( segid "PAH3" and resid 527 and name HG1 ))
(( segid "PAH3" and resid 527 and name HN ))
ASSI { 242}
( segid "PAH3" and resid 488 and name HD1%)
(( segid "PAH3" and resid 485 and name HN ))
4.700 2.800 1.300 peak 242 spectrum 1 weight 0.10000E+01 volume 0.65077E-03 ppm1 8.189 ppm2 0.229 CV 1
OR { 242}
( segid "PAH3" and resid 471 and name HG1%)
(( segid "PAH3" and resid 485 and name HN ))
ASSI { 245}
(( segid "PAH3" and resid 483 and name HA ))
(( segid "PAH3" and resid 486 and name HN ))
3.300 1.400 1.400 peak 245 spectrum 1 weight 0.10000E+01 volume 0.23416E-02 ppm1 8.139 ppm2 4.509 CV 1
ASSI { 246}
(( segid "PAH3" and resid 484 and name HA ))
(( segid "PAH3" and resid 486 and name HN ))
3.400 1.500 1.500 peak 246 spectrum 1 weight 0.10000E+01 volume 0.17957E-02 ppm1 8.137 ppm2 3.648 CV 1
OR { 246}
(( segid "PAH3" and resid 482 and name HA ))
(( segid "PAH3" and resid 486 and name HN ))
ASSI { 247}
(( segid "PAH3" and resid 485 and name HB1 ))
(( segid "PAH3" and resid 486 and name HN ))
3.300 1.400 1.400 peak 247 spectrum 1 weight 0.10000E+01 volume 0.37782E-02 ppm1 8.139 ppm2 1.965 CV 1
ASSI { 248}
(( segid "PAH3" and resid 486 and name HB1 ))
(( segid "PAH3" and resid 486 and name HN ))
2.600 0.800 0.800 peak 248 spectrum 1 weight 0.10000E+01 volume 0.11277E-01 ppm1 8.138 ppm2 1.765 CV 1
ASSI { 249}
(( segid "PAH3" and resid 527 and name HA ))
(( segid "PAH3" and resid 527 and name HN ))
3.100 1.200 1.200 peak 249 spectrum 1 weight 0.10000E+01 volume 0.29163E-02 ppm1 8.166 ppm2 4.112 CV 1
ASSI { 250}
(( segid "PAH3" and resid 486 and name HN ))
(( segid "PAH3" and resid 487 and name HN ))
2.800 1.000 1.000 peak 250 spectrum 1 weight 0.10000E+01 volume 0.44247E-02 ppm1 7.365 ppm2 8.150 CV 1
ASSI { 251}
(( segid "PAH3" and resid 488 and name HN ))
(( segid "PAH3" and resid 487 and name HN ))
2.600 0.800 0.800 peak 251 spectrum 1 weight 0.10000E+01 volume 0.61127E-02 ppm1 7.363 ppm2 6.949 CV 1
ASSI { 252}
(( segid "PAH3" and resid 487 and name HA ))
(( segid "PAH3" and resid 487 and name HN ))
3.000 1.100 1.100 peak 252 spectrum 1 weight 0.10000E+01 volume 0.31389E-02 ppm1 7.365 ppm2 4.098 CV 1
ASSI { 253}
(( segid "PAH3" and resid 487 and name HG ))
(( segid "PAH3" and resid 487 and name HN ))
2.400 0.700 0.700 peak 253 spectrum 1 weight 0.10000E+01 volume 0.11493E-01 ppm1 7.363 ppm2 3.117 CV 1
ASSI { 254}
(( segid "PAH3" and resid 484 and name HA ))
(( segid "PAH3" and resid 487 and name HN ))
3.300 1.400 1.400 peak 254 spectrum 1 weight 0.10000E+01 volume 0.18460E-02 ppm1 7.364 ppm2 3.634 CV 1
ASSI { 255}
(( segid "PAH3" and resid 486 and name HA ))
(( segid "PAH3" and resid 487 and name HN ))
3.400 1.400 1.400 peak 255 spectrum 1 weight 0.10000E+01 volume 0.18460E-02 ppm1 7.365 ppm2 3.508 CV 1
ASSI { 256}
(( segid "PAH3" and resid 486 and name HB1 ))
(( segid "PAH3" and resid 487 and name HN ))
2.700 0.900 0.900 peak 256 spectrum 1 weight 0.10000E+01 volume 0.41733E-02 ppm1 7.361 ppm2 1.764 CV 1
ASSI { 257}
( segid "PAH3" and resid 490 and name HD1%)
(( segid "PAH3" and resid 487 and name HN ))
2.500 2.500 3.500 peak 257 spectrum 1 weight 0.10000E+01 volume 0.45253E-02 ppm1 7.363 ppm2 1.064 CV 1
OR { 257}
( segid "PAH3" and resid 505 and name HG2%)
(( segid "PAH3" and resid 487 and name HN ))
ASSI { 258}
(( segid "PAH3" and resid 489 and name HN ))
(( segid "PAH3" and resid 488 and name HN ))
2.600 0.900 0.900 peak 258 spectrum 1 weight 0.10000E+01 volume 0.51358E-02 ppm1 6.950 ppm2 8.263 CV 1
ASSI { 260}
(( segid "PAH3" and resid 488 and name HA ))
(( segid "PAH3" and resid 488 and name HN ))
2.900 1.000 1.000 peak 260 spectrum 1 weight 0.10000E+01 volume 0.34263E-02 ppm1 6.946 ppm2 3.838 CV 1
ASSI { 261}
(( segid "PAH3" and resid 487 and name HA ))
(( segid "PAH3" and resid 488 and name HN ))
4.000 2.000 2.000 peak 261 spectrum 1 weight 0.10000E+01 volume 0.68310E-03 ppm1 6.951 ppm2 4.108 CV 1
ASSI { 262}
(( segid "PAH3" and resid 487 and name HB1 ))
(( segid "PAH3" and resid 488 and name HN ))
3.700 1.700 1.700 peak 262 spectrum 1 weight 0.10000E+01 volume 0.24925E-02 ppm1 6.942 ppm2 3.292 CV 1
ASSI { 263}
(( segid "PAH3" and resid 485 and name HA ))
(( segid "PAH3" and resid 488 and name HN ))
2.900 1.100 1.100 peak 263 spectrum 1 weight 0.10000E+01 volume 0.37782E-02 ppm1 6.945 ppm2 3.461 CV 1
OR { 263}
(( segid "PAH3" and resid 486 and name HA ))
(( segid "PAH3" and resid 488 and name HN ))
ASSI { 264}
(( segid "PAH3" and resid 487 and name HG ))
(( segid "PAH3" and resid 488 and name HN ))
3.900 1.900 1.900 peak 264 spectrum 1 weight 0.10000E+01 volume 0.16880E-02 ppm1 6.942 ppm2 3.106 CV 1
OR { 264}
(( segid "PAH3" and resid 491 and name HB2 ))
(( segid "PAH3" and resid 488 and name HN ))
ASSI { 265}
(( segid "PAH3" and resid 487 and name HB2 ))
(( segid "PAH3" and resid 488 and name HN ))
3.400 1.400 1.400 peak 265 spectrum 1 weight 0.10000E+01 volume 0.11062E-02 ppm1 6.944 ppm2 2.217 CV 1
ASSI { 266}
(( segid "PAH3" and resid 488 and name HG ))
(( segid "PAH3" and resid 488 and name HN ))
2.300 0.600 0.600 peak 266 spectrum 1 weight 0.10000E+01 volume 0.11493E-01 ppm1 6.949 ppm2 1.124 CV 1
ASSI { 267}
( segid "PAH3" and resid 488 and name HD1%)
(( segid "PAH3" and resid 488 and name HN ))
3.800 1.800 1.800 peak 267 spectrum 1 weight 0.10000E+01 volume 0.30815E-02 ppm1 6.951 ppm2 0.227 CV 1
ASSI { 268}
( segid "PAH3" and resid 488 and name HD2%)
(( segid "PAH3" and resid 488 and name HN ))
3.700 1.700 1.700 peak 268 spectrum 1 weight 0.10000E+01 volume 0.24422E-02 ppm1 6.944 ppm2 0.043 CV 1
ASSI { 269}
( segid "PAH3" and resid 485 and name HD1%)
(( segid "PAH3" and resid 488 and name HN ))
3.900 1.900 1.900 peak 269 spectrum 1 weight 0.10000E+01 volume 0.90505E-03 ppm1 6.951 ppm2 0.528 CV 1
OR { 269}
( segid "PAH3" and resid 501 and name HD2%)
(( segid "PAH3" and resid 488 and name HN ))
ASSI { 271}
(( segid "PAH3" and resid 488 and name HN ))
(( segid "PAH3" and resid 489 and name HN ))
2.700 0.900 0.900 peak 271 spectrum 1 weight 0.10000E+01 volume 0.45109E-02 ppm1 8.264 ppm2 6.946 CV 1
ASSI { 272}
(( segid "PAH3" and resid 489 and name HA ))
(( segid "PAH3" and resid 489 and name HN ))
2.800 1.000 1.000 peak 272 spectrum 1 weight 0.10000E+01 volume 0.52076E-02 ppm1 8.265 ppm2 3.809 CV 1
ASSI { 273}
(( segid "PAH3" and resid 486 and name HA ))
(( segid "PAH3" and resid 489 and name HN ))
3.100 1.200 1.200 peak 273 spectrum 1 weight 0.10000E+01 volume 0.37926E-02 ppm1 8.266 ppm2 3.477 CV 1
ASSI { 274}
(( segid "PAH3" and resid 489 and name HB ))
(( segid "PAH3" and resid 489 and name HN ))
2.800 1.000 1.000 peak 274 spectrum 1 weight 0.10000E+01 volume 0.64862E-02 ppm1 8.266 ppm2 2.426 CV 1
ASSI { 275}
(( segid "PAH3" and resid 488 and name HB1 ))
(( segid "PAH3" and resid 489 and name HN ))
3.500 1.500 1.500 peak 275 spectrum 1 weight 0.10000E+01 volume 0.30599E-02 ppm1 8.264 ppm2 1.819 CV 1
ASSI { 276}
( segid "PAH3" and resid 490 and name HG2%)
(( segid "PAH3" and resid 489 and name HN ))
4.400 2.500 1.600 peak 276 spectrum 1 weight 0.10000E+01 volume 0.95533E-03 ppm1 8.264 ppm2 1.341 CV 1
ASSI { 277}
( segid "PAH3" and resid 489 and name HG1%)
(( segid "PAH3" and resid 489 and name HN ))
2.600 0.900 0.900 peak 277 spectrum 1 weight 0.10000E+01 volume 0.15084E-01 ppm1 8.264 ppm2 1.123 CV 1
OR { 277}
(( segid "PAH3" and resid 488 and name HG ))
(( segid "PAH3" and resid 489 and name HN ))
ASSI { 278}
(( segid "PAH3" and resid 526 and name HA ))
(( segid "PAH3" and resid 527 and name HN ))
2.500 0.800 0.800 peak 278 spectrum 1 weight 0.10000E+01 volume 0.10703E-01 ppm1 8.169 ppm2 4.226 CV 1
ASSI { 279}
( segid "PAH3" and resid 488 and name HD1%)
(( segid "PAH3" and resid 489 and name HN ))
5.300 3.600 0.700 peak 279 spectrum 1 weight 0.10000E+01 volume 0.45612E-03 ppm1 8.265 ppm2 0.218 CV 1
ASSI { 280}
(( segid "PAH3" and resid 489 and name HN ))
(( segid "PAH3" and resid 490 and name HN ))
2.700 0.900 0.900 peak 280 spectrum 1 weight 0.10000E+01 volume 0.42092E-02 ppm1 7.635 ppm2 8.266 CV 1
ASSI { 281}
(( segid "PAH3" and resid 491 and name HN ))
(( segid "PAH3" and resid 490 and name HN ))
2.600 0.900 0.900 peak 281 spectrum 1 weight 0.10000E+01 volume 0.52795E-02 ppm1 7.631 ppm2 7.801 CV 1
ASSI { 282}
(( segid "PAH3" and resid 490 and name HA ))
(( segid "PAH3" and resid 490 and name HN ))
2.800 1.000 1.000 peak 282 spectrum 1 weight 0.10000E+01 volume 0.49993E-02 ppm1 7.635 ppm2 4.095 CV 1
OR { 282}
(( segid "PAH3" and resid 487 and name HA ))
(( segid "PAH3" and resid 490 and name HN ))
ASSI { 283}
(( segid "PAH3" and resid 489 and name HB ))
(( segid "PAH3" and resid 490 and name HN ))
2.700 0.900 0.900 peak 283 spectrum 1 weight 0.10000E+01 volume 0.44678E-02 ppm1 7.635 ppm2 2.434 CV 1
ASSI { 284}
(( segid "PAH3" and resid 490 and name HG11))
(( segid "PAH3" and resid 490 and name HN ))
2.900 1.000 1.000 peak 284 spectrum 1 weight 0.10000E+01 volume 0.10056E-01 ppm1 7.633 ppm2 2.047 CV 1
OR { 284}
(( segid "PAH3" and resid 490 and name HB ))
(( segid "PAH3" and resid 490 and name HN ))
ASSI { 285}
(( segid "PAH3" and resid 490 and name HG12))
(( segid "PAH3" and resid 490 and name HN ))
2.400 0.700 0.700 peak 285 spectrum 1 weight 0.10000E+01 volume 0.50640E-02 ppm1 7.634 ppm2 1.703 CV 1
ASSI { 286}
( segid "PAH3" and resid 490 and name HG2%)
(( segid "PAH3" and resid 490 and name HN ))
2.600 0.800 0.800 peak 286 spectrum 1 weight 0.10000E+01 volume 0.58325E-02 ppm1 7.635 ppm2 1.342 CV 1
ASSI { 287}
( segid "PAH3" and resid 490 and name HD1%)
(( segid "PAH3" and resid 490 and name HN ))
2.800 1.000 1.000 peak 287 spectrum 1 weight 0.10000E+01 volume 0.89068E-02 ppm1 7.632 ppm2 1.048 CV 1
OR { 287}
( segid "PAH3" and resid 489 and name HG2%)
(( segid "PAH3" and resid 490 and name HN ))
ASSI { 288}
(( segid "PAH3" and resid 492 and name HN ))
(( segid "PAH3" and resid 491 and name HN ))
2.700 0.900 0.900 peak 288 spectrum 1 weight 0.10000E+01 volume 0.50640E-02 ppm1 7.797 ppm2 9.686 CV 1
ASSI { 290}
(( segid "PAH3" and resid 491 and name HA ))
(( segid "PAH3" and resid 491 and name HN ))
3.000 1.100 1.100 peak 290 spectrum 1 weight 0.10000E+01 volume 0.30815E-02 ppm1 7.802 ppm2 4.445 CV 1
ASSI { 292}
(( segid "PAH3" and resid 488 and name HA ))
(( segid "PAH3" and resid 491 and name HN ))
3.200 1.300 1.300 peak 292 spectrum 1 weight 0.10000E+01 volume 0.27223E-02 ppm1 7.795 ppm2 3.834 CV 1
ASSI { 293}
(( segid "PAH3" and resid 491 and name HB1 ))
(( segid "PAH3" and resid 491 and name HN ))
2.400 0.700 0.700 peak 293 spectrum 1 weight 0.10000E+01 volume 0.77576E-02 ppm1 7.797 ppm2 3.510 CV 1
ASSI { 294}
(( segid "PAH3" and resid 491 and name HB2 ))
(( segid "PAH3" and resid 491 and name HN ))
2.700 0.900 0.900 peak 294 spectrum 1 weight 0.10000E+01 volume 0.47264E-02 ppm1 7.797 ppm2 3.108 CV 1
ASSI { 296}
(( segid "PAH3" and resid 490 and name HG11))
(( segid "PAH3" and resid 491 and name HN ))
2.600 0.900 0.900 peak 296 spectrum 1 weight 0.10000E+01 volume 0.37567E-02 ppm1 7.796 ppm2 2.047 CV 1
ASSI { 297}
(( segid "PAH3" and resid 490 and name HG12))
(( segid "PAH3" and resid 491 and name HN ))
2.900 1.100 1.100 peak 297 spectrum 1 weight 0.10000E+01 volume 0.35987E-02 ppm1 7.799 ppm2 1.696 CV 1
ASSI { 298}
( segid "PAH3" and resid 496 and name HD1%)
(( segid "PAH3" and resid 491 and name HN ))
3.400 1.400 1.400 peak 298 spectrum 1 weight 0.10000E+01 volume 0.35771E-02 ppm1 7.797 ppm2 0.965 CV 1
ASSI { 299}
( segid "PAH3" and resid 490 and name HD1%)
(( segid "PAH3" and resid 491 and name HN ))
4.200 2.200 1.800 peak 299 spectrum 1 weight 0.10000E+01 volume 0.19035E-02 ppm1 7.794 ppm2 1.079 CV 1
ASSI { 300}
(( segid "PAH3" and resid 496 and name HG12))
(( segid "PAH3" and resid 491 and name HN ))
3.600 1.600 1.600 peak 300 spectrum 1 weight 0.10000E+01 volume 0.17670E-02 ppm1 7.794 ppm2 0.813 CV 1
OR { 300}
( segid "PAH3" and resid 496 and name HG2%)
(( segid "PAH3" and resid 491 and name HN ))
ASSI { 301}
( segid "PAH3" and resid 491 and name HD% )
(( segid "PAH3" and resid 491 and name HN ))
4.400 2.400 1.600 peak 301 spectrum 1 weight 0.10000E+01 volume 0.14007E-02 ppm1 7.797 ppm2 7.468 CV 1
ASSI { 302}
(( segid "PAH3" and resid 491 and name HN ))
(( segid "PAH3" and resid 492 and name HN ))
2.600 0.900 0.900 peak 302 spectrum 1 weight 0.10000E+01 volume 0.57894E-02 ppm1 9.681 ppm2 7.810 CV 1
ASSI { 303}
(( segid "PAH3" and resid 493 and name HN ))
(( segid "PAH3" and resid 492 and name HN ))
2.700 0.900 0.900 peak 303 spectrum 1 weight 0.10000E+01 volume 0.52148E-02 ppm1 9.683 ppm2 7.643 CV 1
ASSI { 304}
( segid "PAH3" and resid 491 and name HD% )
(( segid "PAH3" and resid 492 and name HN ))
4.100 2.100 1.900 peak 304 spectrum 1 weight 0.10000E+01 volume 0.75421E-03 ppm1 9.682 ppm2 7.478 CV 1
ASSI { 305}
(( segid "PAH3" and resid 492 and name HA ))
(( segid "PAH3" and resid 492 and name HN ))
2.800 1.000 1.000 peak 305 spectrum 1 weight 0.10000E+01 volume 0.56171E-02 ppm1 9.681 ppm2 4.378 CV 1
ASSI { 306}
(( segid "PAH3" and resid 488 and name HA ))
(( segid "PAH3" and resid 492 and name HN ))
3.400 1.400 1.400 peak 306 spectrum 1 weight 0.10000E+01 volume 0.26218E-02 ppm1 9.682 ppm2 3.813 CV 1
ASSI { 307}
(( segid "PAH3" and resid 492 and name HB1 ))
(( segid "PAH3" and resid 492 and name HN ))
2.800 1.000 1.000 peak 307 spectrum 1 weight 0.10000E+01 volume 0.50927E-02 ppm1 9.684 ppm2 3.415 CV 1
ASSI { 308}
(( segid "PAH3" and resid 491 and name HB1 ))
(( segid "PAH3" and resid 492 and name HN ))
2.700 0.900 0.900 peak 308 spectrum 1 weight 0.10000E+01 volume 0.44462E-02 ppm1 9.683 ppm2 3.518 CV 1
ASSI { 309}
(( segid "PAH3" and resid 492 and name HB2 ))
(( segid "PAH3" and resid 492 and name HN ))
2.900 1.100 1.100 peak 309 spectrum 1 weight 0.10000E+01 volume 0.36705E-02 ppm1 9.679 ppm2 2.973 CV 1
ASSI { 310}
( segid "PAH3" and resid 490 and name HD1%)
(( segid "PAH3" and resid 492 and name HN ))
4.700 2.800 1.300 peak 310 spectrum 1 weight 0.10000E+01 volume 0.99843E-03 ppm1 9.682 ppm2 1.063 CV 1
ASSI { 312}
(( segid "PAH3" and resid 494 and name HN ))
(( segid "PAH3" and resid 493 and name HN ))
2.800 1.000 1.000 peak 312 spectrum 1 weight 0.10000E+01 volume 0.49059E-02 ppm1 7.659 ppm2 8.034 CV 1
ASSI { 313}
(( segid "PAH3" and resid 495 and name HN ))
(( segid "PAH3" and resid 493 and name HN ))
3.100 1.200 1.200 peak 313 spectrum 1 weight 0.10000E+01 volume 0.35987E-02 ppm1 7.658 ppm2 7.811 CV 1
OR { 313}
(( segid "PAH3" and resid 491 and name HN ))
(( segid "PAH3" and resid 493 and name HN ))
ASSI { 314}
(( segid "PAH3" and resid 492 and name HA ))
(( segid "PAH3" and resid 493 and name HN ))
3.700 1.700 1.700 peak 314 spectrum 1 weight 0.10000E+01 volume 0.13504E-02 ppm1 7.655 ppm2 4.367 CV 1
ASSI { 315}
(( segid "PAH3" and resid 493 and name HA ))
(( segid "PAH3" and resid 493 and name HN ))
2.900 1.100 1.100 peak 315 spectrum 1 weight 0.10000E+01 volume 0.41733E-02 ppm1 7.658 ppm2 4.217 CV 1
ASSI { 316}
(( segid "PAH3" and resid 490 and name HA ))
(( segid "PAH3" and resid 493 and name HN ))
3.200 1.300 1.300 peak 316 spectrum 1 weight 0.10000E+01 volume 0.26146E-02 ppm1 7.656 ppm2 4.099 CV 1
ASSI { 317}
(( segid "PAH3" and resid 492 and name HB1 ))
(( segid "PAH3" and resid 493 and name HN ))
3.100 1.200 1.200 peak 317 spectrum 1 weight 0.10000E+01 volume 0.27798E-02 ppm1 7.659 ppm2 3.410 CV 1
ASSI { 318}
(( segid "PAH3" and resid 492 and name HB2 ))
(( segid "PAH3" and resid 493 and name HN ))
3.700 1.700 1.700 peak 318 spectrum 1 weight 0.10000E+01 volume 0.25499E-02 ppm1 7.653 ppm2 2.966 CV 1
ASSI { 319}
(( segid "PAH3" and resid 493 and name HG1 ))
(( segid "PAH3" and resid 493 and name HN ))
2.800 1.000 1.000 peak 319 spectrum 1 weight 0.10000E+01 volume 0.43600E-02 ppm1 7.658 ppm2 2.605 CV 1
ASSI { 320}
(( segid "PAH3" and resid 493 and name HG2 ))
(( segid "PAH3" and resid 493 and name HN ))
3.300 1.400 1.400 peak 320 spectrum 1 weight 0.10000E+01 volume 0.37710E-02 ppm1 7.658 ppm2 2.498 CV 1
ASSI { 321}
(( segid "PAH3" and resid 493 and name HB1 ))
(( segid "PAH3" and resid 493 and name HN ))
3.600 1.600 1.600 peak 321 spectrum 1 weight 0.10000E+01 volume 0.45468E-02 ppm1 7.657 ppm2 2.237 CV 1
ASSI { 322}
(( segid "PAH3" and resid 495 and name HB ))
(( segid "PAH3" and resid 493 and name HN ))
3.600 1.600 1.600 peak 322 spectrum 1 weight 0.10000E+01 volume 0.14150E-02 ppm1 7.661 ppm2 1.972 CV 1
ASSI { 323}
(( segid "PAH3" and resid 493 and name HB2 ))
(( segid "PAH3" and resid 493 and name HN ))
2.400 0.700 0.700 peak 323 spectrum 1 weight 0.10000E+01 volume 0.71542E-02 ppm1 7.657 ppm2 1.508 CV 1
ASSI { 324}
( segid "PAH3" and resid 489 and name HG2%)
(( segid "PAH3" and resid 493 and name HN ))
4.200 2.200 1.800 peak 324 spectrum 1 weight 0.10000E+01 volume 0.91942E-03 ppm1 7.659 ppm2 1.020 CV 1
OR { 324}
(( segid "PAH3" and resid 488 and name HB2 ))
(( segid "PAH3" and resid 493 and name HN ))
ASSI { 326}
(( segid "PAH3" and resid 493 and name HN ))
(( segid "PAH3" and resid 494 and name HN ))
2.800 1.000 1.000 peak 326 spectrum 1 weight 0.10000E+01 volume 0.44606E-02 ppm1 8.037 ppm2 7.652 CV 1
ASSI { 327}
(( segid "PAH3" and resid 491 and name HA ))
(( segid "PAH3" and resid 494 and name HN ))
3.400 1.400 1.400 peak 327 spectrum 1 weight 0.10000E+01 volume 0.16664E-02 ppm1 8.036 ppm2 4.414 CV 1
ASSI { 328}
(( segid "PAH3" and resid 493 and name HA ))
(( segid "PAH3" and resid 494 and name HN ))
3.200 1.300 1.300 peak 328 spectrum 1 weight 0.10000E+01 volume 0.23345E-02 ppm1 8.033 ppm2 4.195 CV 1
ASSI { 329}
(( segid "PAH3" and resid 494 and name HA ))
(( segid "PAH3" and resid 494 and name HN ))
2.300 0.700 0.700 peak 329 spectrum 1 weight 0.10000E+01 volume 0.15156E-01 ppm1 8.035 ppm2 3.900 CV 1
ASSI { 330}
(( segid "PAH3" and resid 493 and name HG2 ))
(( segid "PAH3" and resid 494 and name HN ))
3.200 3.200 2.800 peak 330 spectrum 1 weight 0.10000E+01 volume 0.96251E-03 ppm1 8.034 ppm2 2.506 CV 1
ASSI { 331}
(( segid "PAH3" and resid 493 and name HB1 ))
(( segid "PAH3" and resid 494 and name HN ))
4.200 2.200 1.800 peak 331 spectrum 1 weight 0.10000E+01 volume 0.98406E-03 ppm1 8.034 ppm2 2.242 CV 1
ASSI { 332}
(( segid "PAH3" and resid 494 and name HB1 ))
(( segid "PAH3" and resid 494 and name HN ))
3.300 1.400 1.400 peak 332 spectrum 1 weight 0.10000E+01 volume 0.40584E-02 ppm1 8.036 ppm2 2.109 CV 1
OR { 332}
(( segid "PAH3" and resid 494 and name HB2 ))
(( segid "PAH3" and resid 494 and name HN ))
ASSI { 333}
(( segid "PAH3" and resid 494 and name HG2 ))
(( segid "PAH3" and resid 494 and name HN ))
2.800 0.900 0.900 peak 333 spectrum 1 weight 0.10000E+01 volume 0.89068E-02 ppm1 8.035 ppm2 1.956 CV 1
OR { 333}
(( segid "PAH3" and resid 494 and name HG1 ))
(( segid "PAH3" and resid 494 and name HN ))
ASSI { 334}
(( segid "PAH3" and resid 495 and name HN ))
(( segid "PAH3" and resid 496 and name HN ))
2.500 0.800 0.800 peak 334 spectrum 1 weight 0.10000E+01 volume 0.78294E-02 ppm1 6.536 ppm2 7.821 CV 1
ASSI { 335}
(( segid "PAH3" and resid 496 and name HA ))
(( segid "PAH3" and resid 496 and name HN ))
3.000 1.100 1.100 peak 335 spectrum 1 weight 0.10000E+01 volume 0.28085E-02 ppm1 6.535 ppm2 5.074 CV 1
ASSI { 336}
(( segid "PAH3" and resid 491 and name HA ))
(( segid "PAH3" and resid 496 and name HN ))
3.000 1.200 1.200 peak 336 spectrum 1 weight 0.10000E+01 volume 0.26936E-02 ppm1 6.532 ppm2 4.461 CV 1
ASSI { 337}
(( segid "PAH3" and resid 495 and name HA ))
(( segid "PAH3" and resid 496 and name HN ))
3.300 1.400 1.400 peak 337 spectrum 1 weight 0.10000E+01 volume 0.23560E-02 ppm1 6.534 ppm2 3.480 CV 1
ASSI { 338}
(( segid "PAH3" and resid 495 and name HB ))
(( segid "PAH3" and resid 496 and name HN ))
2.700 0.900 0.900 peak 338 spectrum 1 weight 0.10000E+01 volume 0.39722E-02 ppm1 6.536 ppm2 1.932 CV 1
ASSI { 339}
(( segid "PAH3" and resid 496 and name HG11))
(( segid "PAH3" and resid 496 and name HN ))
3.000 1.100 1.100 peak 339 spectrum 1 weight 0.10000E+01 volume 0.43026E-02 ppm1 6.536 ppm2 1.777 CV 1
ASSI { 340}
( segid "PAH3" and resid 490 and name HD1%)
(( segid "PAH3" and resid 496 and name HN ))
4.300 2.300 1.700 peak 340 spectrum 1 weight 0.10000E+01 volume 0.13073E-02 ppm1 6.534 ppm2 1.087 CV 1
ASSI { 341}
( segid "PAH3" and resid 496 and name HD1%)
(( segid "PAH3" and resid 496 and name HN ))
3.300 1.300 1.300 peak 341 spectrum 1 weight 0.10000E+01 volume 0.48700E-02 ppm1 6.536 ppm2 0.950 CV 1
OR { 341}
( segid "PAH3" and resid 495 and name HG1%)
(( segid "PAH3" and resid 496 and name HN ))
ASSI { 342}
(( segid "PAH3" and resid 496 and name HG12))
(( segid "PAH3" and resid 496 and name HN ))
2.200 0.600 0.600 peak 342 spectrum 1 weight 0.10000E+01 volume 0.99125E-02 ppm1 6.536 ppm2 0.798 CV 1
OR { 342}
( segid "PAH3" and resid 496 and name HG2%)
(( segid "PAH3" and resid 496 and name HN ))
ASSI { 343}
( segid "PAH3" and resid 495 and name HG2%)
(( segid "PAH3" and resid 496 and name HN ))
4.000 2.000 2.000 peak 343 spectrum 1 weight 0.10000E+01 volume 0.18963E-02 ppm1 6.538 ppm2 0.297 CV 1
ASSI { 344}
(( segid "PAH3" and resid 496 and name HA ))
(( segid "PAH3" and resid 497 and name HN ))
2.600 0.900 0.900 peak 344 spectrum 1 weight 0.10000E+01 volume 0.62563E-02 ppm1 9.672 ppm2 5.078 CV 1
ASSI { 345}
(( segid "PAH3" and resid 497 and name HA ))
(( segid "PAH3" and resid 497 and name HN ))
3.500 1.500 1.500 peak 345 spectrum 1 weight 0.10000E+01 volume 0.13360E-02 ppm1 9.668 ppm2 4.823 CV 1
ASSI { 346}
(( segid "PAH3" and resid 497 and name HB2 ))
(( segid "PAH3" and resid 497 and name HN ))
3.000 1.100 1.100 peak 346 spectrum 1 weight 0.10000E+01 volume 0.28301E-02 ppm1 9.674 ppm2 4.075 CV 1
ASSI { 347}
(( segid "PAH3" and resid 500 and name HB1 ))
(( segid "PAH3" and resid 497 and name HN ))
3.600 1.600 1.600 peak 347 spectrum 1 weight 0.10000E+01 volume 0.46474E-02 ppm1 9.672 ppm2 2.555 CV 1
ASSI { 348}
(( segid "PAH3" and resid 496 and name HB ))
(( segid "PAH3" and resid 497 and name HN ))
2.600 0.800 0.800 peak 348 spectrum 1 weight 0.10000E+01 volume 0.59475E-02 ppm1 9.671 ppm2 2.278 CV 1
OR { 348}
(( segid "PAH3" and resid 500 and name HG2 ))
(( segid "PAH3" and resid 497 and name HN ))
ASSI { 350}
( segid "PAH3" and resid 495 and name HG1%)
(( segid "PAH3" and resid 497 and name HN ))
4.600 2.700 1.400 peak 350 spectrum 1 weight 0.10000E+01 volume 0.94096E-03 ppm1 9.668 ppm2 0.940 CV 1
ASSI { 352}
(( segid "PAH3" and resid 497 and name HA ))
(( segid "PAH3" and resid 498 and name HN ))
2.800 1.000 1.000 peak 352 spectrum 1 weight 0.10000E+01 volume 0.48916E-02 ppm1 9.145 ppm2 4.814 CV 1
ASSI { 353}
(( segid "PAH3" and resid 497 and name HB2 ))
(( segid "PAH3" and resid 498 and name HN ))
2.900 1.100 1.100 peak 353 spectrum 1 weight 0.10000E+01 volume 0.45540E-02 ppm1 9.145 ppm2 4.042 CV 1
OR { 353}
(( segid "PAH3" and resid 498 and name HA ))
(( segid "PAH3" and resid 498 and name HN ))
ASSI { 354}
(( segid "PAH3" and resid 497 and name HB1 ))
(( segid "PAH3" and resid 498 and name HN ))
2.800 1.000 1.000 peak 354 spectrum 1 weight 0.10000E+01 volume 0.39506E-02 ppm1 9.141 ppm2 4.561 CV 1
ASSI { 355}
(( segid "PAH3" and resid 498 and name HB2 ))
(( segid "PAH3" and resid 498 and name HN ))
3.000 1.100 1.100 peak 355 spectrum 1 weight 0.10000E+01 volume 0.29378E-02 ppm1 9.144 ppm2 1.834 CV 1
ASSI { 356}
(( segid "PAH3" and resid 498 and name HG2 ))
(( segid "PAH3" and resid 498 and name HN ))
3.900 1.900 1.900 peak 356 spectrum 1 weight 0.10000E+01 volume 0.20543E-02 ppm1 9.143 ppm2 1.728 CV 1
ASSI { 357}
(( segid "PAH3" and resid 498 and name HN ))
(( segid "PAH3" and resid 499 and name HN ))
2.900 1.000 1.000 peak 357 spectrum 1 weight 0.10000E+01 volume 0.43816E-02 ppm1 8.336 ppm2 9.154 CV 1
ASSI { 358}
(( segid "PAH3" and resid 500 and name HN ))
(( segid "PAH3" and resid 499 and name HN ))
2.700 0.900 0.900 peak 358 spectrum 1 weight 0.10000E+01 volume 0.61414E-02 ppm1 8.338 ppm2 7.824 CV 1
ASSI { 359}
(( segid "PAH3" and resid 497 and name HA ))
(( segid "PAH3" and resid 499 and name HN ))
4.400 2.400 1.600 peak 359 spectrum 1 weight 0.10000E+01 volume 0.11924E-02 ppm1 8.336 ppm2 4.815 CV 1
ASSI { 360}
(( segid "PAH3" and resid 499 and name HA ))
(( segid "PAH3" and resid 499 and name HN ))
2.600 0.800 0.800 peak 360 spectrum 1 weight 0.10000E+01 volume 0.92660E-02 ppm1 8.338 ppm2 4.011 CV 1
OR { 360}
(( segid "PAH3" and resid 498 and name HA ))
(( segid "PAH3" and resid 499 and name HN ))
ASSI { 361}
(( segid "PAH3" and resid 497 and name HB1 ))
(( segid "PAH3" and resid 499 and name HN ))
3.600 1.600 1.600 peak 361 spectrum 1 weight 0.10000E+01 volume 0.14079E-02 ppm1 8.335 ppm2 4.572 CV 1
ASSI { 362}
(( segid "PAH3" and resid 498 and name HG1 ))
(( segid "PAH3" and resid 499 and name HN ))
4.000 2.000 2.000 peak 362 spectrum 1 weight 0.10000E+01 volume 0.17742E-02 ppm1 8.334 ppm2 2.275 CV 1
OR { 362}
(( segid "PAH3" and resid 500 and name HG2 ))
(( segid "PAH3" and resid 499 and name HN ))
ASSI { 363}
(( segid "PAH3" and resid 498 and name HB1 ))
(( segid "PAH3" and resid 499 and name HN ))
2.500 0.800 0.800 peak 363 spectrum 1 weight 0.10000E+01 volume 0.51286E-02 ppm1 8.337 ppm2 2.112 CV 1
ASSI { 364}
(( segid "PAH3" and resid 498 and name HB2 ))
(( segid "PAH3" and resid 499 and name HN ))
3.800 1.800 1.800 peak 364 spectrum 1 weight 0.10000E+01 volume 0.42092E-02 ppm1 8.337 ppm2 1.819 CV 1
ASSI { 365}
( segid "PAH3" and resid 499 and name HB% )
(( segid "PAH3" and resid 499 and name HN ))
2.300 0.700 0.700 peak 365 spectrum 1 weight 0.10000E+01 volume 0.17239E-01 ppm1 8.336 ppm2 1.575 CV 1
ASSI { 366}
(( segid "PAH3" and resid 497 and name HN ))
(( segid "PAH3" and resid 500 and name HN ))
4.200 2.200 1.800 peak 366 spectrum 1 weight 0.10000E+01 volume 0.81885E-03 ppm1 7.826 ppm2 9.676 CV 1
ASSI { 367}
(( segid "PAH3" and resid 501 and name HN ))
(( segid "PAH3" and resid 500 and name HN ))
2.700 0.900 0.900 peak 367 spectrum 1 weight 0.10000E+01 volume 0.50712E-02 ppm1 7.830 ppm2 8.581 CV 1
ASSI { 369}
( segid "PAH3" and resid 499 and name HB% )
(( segid "PAH3" and resid 500 and name HN ))
2.700 0.900 0.900 peak 369 spectrum 1 weight 0.10000E+01 volume 0.63784E-02 ppm1 7.827 ppm2 1.570 CV 1
ASSI { 371}
(( segid "PAH3" and resid 500 and name HG1 ))
(( segid "PAH3" and resid 500 and name HN ))
3.100 1.200 1.200 peak 371 spectrum 1 weight 0.10000E+01 volume 0.69746E-02 ppm1 7.828 ppm2 2.465 CV 1
ASSI { 372}
(( segid "PAH3" and resid 501 and name HB1 ))
(( segid "PAH3" and resid 500 and name HN ))
3.400 1.400 1.400 peak 372 spectrum 1 weight 0.10000E+01 volume 0.39003E-02 ppm1 7.826 ppm2 2.219 CV 1
OR { 372}
(( segid "PAH3" and resid 498 and name HG1 ))
(( segid "PAH3" and resid 500 and name HN ))
ASSI { 373}
(( segid "PAH3" and resid 528 and name HN ))
(( segid "PAH3" and resid 527 and name HN ))
3.400 1.500 1.500 peak 373 spectrum 1 weight 0.10000E+01 volume 0.19107E-02 ppm1 8.173 ppm2 7.833 CV 1
ASSI { 374}
(( segid "PAH3" and resid 501 and name HB1 ))
(( segid "PAH3" and resid 501 and name HN ))
2.400 0.700 0.700 peak 374 spectrum 1 weight 0.10000E+01 volume 0.91942E-02 ppm1 8.593 ppm2 2.257 CV 1
ASSI { 376}
(( segid "PAH3" and resid 500 and name HB2 ))
(( segid "PAH3" and resid 501 and name HN ))
2.900 1.000 1.000 peak 376 spectrum 1 weight 0.10000E+01 volume 0.27942E-02 ppm1 8.593 ppm2 1.744 CV 1
OR { 376}
(( segid "PAH3" and resid 496 and name HG11))
(( segid "PAH3" and resid 501 and name HN ))
ASSI { 377}
(( segid "PAH3" and resid 501 and name HG ))
(( segid "PAH3" and resid 501 and name HN ))
3.800 1.800 1.800 peak 377 spectrum 1 weight 0.10000E+01 volume 0.27439E-02 ppm1 8.589 ppm2 1.576 CV 1
OR { 377}
( segid "PAH3" and resid 499 and name HB% )
(( segid "PAH3" and resid 501 and name HN ))
ASSI { 378}
(( segid "PAH3" and resid 501 and name HB2 ))
(( segid "PAH3" and resid 501 and name HN ))
2.800 1.000 1.000 peak 378 spectrum 1 weight 0.10000E+01 volume 0.46545E-02 ppm1 8.589 ppm2 1.431 CV 1
ASSI { 379}
( segid "PAH3" and resid 501 and name HD2%)
(( segid "PAH3" and resid 501 and name HN ))
4.300 2.300 1.700 peak 379 spectrum 1 weight 0.10000E+01 volume 0.19322E-02 ppm1 8.587 ppm2 0.543 CV 1
ASSI { 380}
( segid "PAH3" and resid 501 and name HD1%)
(( segid "PAH3" and resid 501 and name HN ))
3.800 1.800 1.800 peak 380 spectrum 1 weight 0.10000E+01 volume 0.33903E-02 ppm1 8.589 ppm2 0.894 CV 1
ASSI { 381}
( segid "PAH3" and resid 496 and name HD1%)
(( segid "PAH3" and resid 501 and name HN ))
3.200 1.300 1.300 peak 381 spectrum 1 weight 0.10000E+01 volume 0.25571E-02 ppm1 8.589 ppm2 0.979 CV 1
ASSI { 382}
( segid "PAH3" and resid 502 and name HG2%)
(( segid "PAH3" and resid 502 and name HN ))
2.500 2.500 3.500 peak 382 spectrum 1 weight 0.10000E+01 volume 0.65077E-02 ppm1 7.837 ppm2 0.615 CV 1
ASSI { 383}
( segid "PAH3" and resid 523 and name HD2%)
(( segid "PAH3" and resid 502 and name HN ))
2.700 2.700 3.300 peak 383 spectrum 1 weight 0.10000E+01 volume 0.28732E-02 ppm1 7.828 ppm2 0.366 CV 1
ASSI { 384}
(( segid "PAH3" and resid 504 and name HN ))
(( segid "PAH3" and resid 503 and name HN ))
2.600 0.800 0.800 peak 384 spectrum 1 weight 0.10000E+01 volume 0.58972E-02 ppm1 7.548 ppm2 8.770 CV 1
ASSI { 385}
(( segid "PAH3" and resid 501 and name HN ))
(( segid "PAH3" and resid 503 and name HN ))
4.100 2.100 1.900 peak 385 spectrum 1 weight 0.10000E+01 volume 0.70680E-03 ppm1 7.549 ppm2 8.603 CV 1
ASSI { 386}
(( segid "PAH3" and resid 502 and name HN ))
(( segid "PAH3" and resid 503 and name HN ))
2.500 0.800 0.800 peak 386 spectrum 1 weight 0.10000E+01 volume 0.77576E-02 ppm1 7.545 ppm2 7.839 CV 1
ASSI { 387}
(( segid "PAH3" and resid 503 and name HA ))
(( segid "PAH3" and resid 503 and name HN ))
2.600 0.900 0.900 peak 387 spectrum 1 weight 0.10000E+01 volume 0.71039E-02 ppm1 7.546 ppm2 4.139 CV 1
ASSI { 388}
(( segid "PAH3" and resid 500 and name HA ))
(( segid "PAH3" and resid 503 and name HN ))
2.800 1.000 1.000 peak 388 spectrum 1 weight 0.10000E+01 volume 0.54949E-02 ppm1 7.545 ppm2 3.999 CV 1
OR { 388}
(( segid "PAH3" and resid 499 and name HA ))
(( segid "PAH3" and resid 503 and name HN ))
ASSI { 389}
(( segid "PAH3" and resid 502 and name HA ))
(( segid "PAH3" and resid 503 and name HN ))
3.300 1.300 1.300 peak 389 spectrum 1 weight 0.10000E+01 volume 0.23345E-02 ppm1 7.542 ppm2 3.579 CV 1
ASSI { 390}
(( segid "PAH3" and resid 503 and name HG1 ))
(( segid "PAH3" and resid 503 and name HN ))
2.600 0.900 0.900 peak 390 spectrum 1 weight 0.10000E+01 volume 0.84040E-02 ppm1 7.544 ppm2 2.481 CV 1
OR { 390}
(( segid "PAH3" and resid 503 and name HG2 ))
(( segid "PAH3" and resid 503 and name HN ))
ASSI { 391}
(( segid "PAH3" and resid 503 and name HB2 ))
(( segid "PAH3" and resid 503 and name HN ))
2.300 0.600 0.600 peak 391 spectrum 1 weight 0.10000E+01 volume 0.19322E-01 ppm1 7.547 ppm2 2.252 CV 1
OR { 391}
(( segid "PAH3" and resid 503 and name HB1 ))
(( segid "PAH3" and resid 503 and name HN ))
ASSI { 392}
(( segid "PAH3" and resid 502 and name HB ))
(( segid "PAH3" and resid 503 and name HN ))
2.500 0.800 0.800 peak 392 spectrum 1 weight 0.10000E+01 volume 0.84759E-02 ppm1 7.548 ppm2 1.903 CV 1
ASSI { 393}
( segid "PAH3" and resid 502 and name HG1%)
(( segid "PAH3" and resid 503 and name HN ))
3.400 1.400 1.400 peak 393 spectrum 1 weight 0.10000E+01 volume 0.34622E-02 ppm1 7.547 ppm2 0.717 CV 1
ASSI { 394}
( segid "PAH3" and resid 502 and name HG2%)
(( segid "PAH3" and resid 503 and name HN ))
3.700 1.800 1.800 peak 394 spectrum 1 weight 0.10000E+01 volume 0.30887E-02 ppm1 7.548 ppm2 0.605 CV 1
ASSI { 395}
(( segid "PAH3" and resid 505 and name HN ))
(( segid "PAH3" and resid 504 and name HN ))
2.700 0.900 0.900 peak 395 spectrum 1 weight 0.10000E+01 volume 0.46258E-02 ppm1 8.766 ppm2 8.158 CV 1
ASSI { 397}
(( segid "PAH3" and resid 504 and name HA ))
(( segid "PAH3" and resid 504 and name HN ))
2.800 1.000 1.000 peak 397 spectrum 1 weight 0.10000E+01 volume 0.47910E-02 ppm1 8.764 ppm2 4.255 CV 1
ASSI { 398}
(( segid "PAH3" and resid 501 and name HA ))
(( segid "PAH3" and resid 504 and name HN ))
3.300 1.400 1.400 peak 398 spectrum 1 weight 0.10000E+01 volume 0.24853E-02 ppm1 8.768 ppm2 4.033 CV 1
OR { 398}
(( segid "PAH3" and resid 500 and name HA ))
(( segid "PAH3" and resid 504 and name HN ))
ASSI { 399}
(( segid "PAH3" and resid 503 and name HG1 ))
(( segid "PAH3" and resid 504 and name HN ))
3.700 1.700 1.700 peak 399 spectrum 1 weight 0.10000E+01 volume 0.22052E-02 ppm1 8.765 ppm2 2.467 CV 1
OR { 399}
(( segid "PAH3" and resid 503 and name HG2 ))
(( segid "PAH3" and resid 504 and name HN ))
ASSI { 400}
(( segid "PAH3" and resid 503 and name HB2 ))
(( segid "PAH3" and resid 504 and name HN ))
2.700 0.900 0.900 peak 400 spectrum 1 weight 0.10000E+01 volume 0.81885E-02 ppm1 8.767 ppm2 2.256 CV 1
OR { 400}
(( segid "PAH3" and resid 503 and name HB1 ))
(( segid "PAH3" and resid 504 and name HN ))
ASSI { 401}
(( segid "PAH3" and resid 504 and name HB1 ))
(( segid "PAH3" and resid 504 and name HN ))
2.800 1.000 1.000 peak 401 spectrum 1 weight 0.10000E+01 volume 0.14797E-01 ppm1 8.767 ppm2 1.992 CV 1
ASSI { 402}
(( segid "PAH3" and resid 504 and name HB2 ))
(( segid "PAH3" and resid 504 and name HN ))
2.500 0.800 0.800 peak 402 spectrum 1 weight 0.10000E+01 volume 0.48700E-02 ppm1 8.764 ppm2 1.719 CV 1
ASSI { 403}
( segid "PAH3" and resid 505 and name HG1%)
(( segid "PAH3" and resid 504 and name HN ))
3.700 1.700 1.700 peak 403 spectrum 1 weight 0.10000E+01 volume 0.25356E-02 ppm1 8.762 ppm2 1.061 CV 1
ASSI { 406}
(( segid "PAH3" and resid 508 and name HN ))
(( segid "PAH3" and resid 505 and name HN ))
3.100 3.100 2.900 peak 406 spectrum 1 weight 0.10000E+01 volume 0.10703E-02 ppm1 8.159 ppm2 7.308 CV 1
OR { 406}
( segid "PAH3" and resid 519 and name HD% )
(( segid "PAH3" and resid 505 and name HN ))
ASSI { 407}
(( segid "PAH3" and resid 505 and name HA ))
(( segid "PAH3" and resid 505 and name HN ))
3.000 1.100 1.100 peak 407 spectrum 1 weight 0.10000E+01 volume 0.27295E-02 ppm1 8.160 ppm2 4.890 CV 1
ASSI { 408}
(( segid "PAH3" and resid 504 and name HA ))
(( segid "PAH3" and resid 505 and name HN ))
3.700 1.700 1.700 peak 408 spectrum 1 weight 0.10000E+01 volume 0.16305E-02 ppm1 8.164 ppm2 4.252 CV 1
OR { 408}
(( segid "PAH3" and resid 506 and name HB1 ))
(( segid "PAH3" and resid 505 and name HN ))
OR { 408}
(( segid "PAH3" and resid 506 and name HB2 ))
(( segid "PAH3" and resid 505 and name HN ))
ASSI { 409}
(( segid "PAH3" and resid 507 and name HD1 ))
(( segid "PAH3" and resid 505 and name HN ))
4.500 2.600 1.500 peak 409 spectrum 1 weight 0.10000E+01 volume 0.91223E-03 ppm1 8.159 ppm2 3.828 CV 1
OR { 409}
(( segid "PAH3" and resid 506 and name HA ))
(( segid "PAH3" and resid 505 and name HN ))
ASSI { 410}
(( segid "PAH3" and resid 502 and name HA ))
(( segid "PAH3" and resid 505 and name HN ))
3.800 1.800 1.800 peak 410 spectrum 1 weight 0.10000E+01 volume 0.81167E-03 ppm1 8.158 ppm2 3.575 CV 1
ASSI { 411}
(( segid "PAH3" and resid 507 and name HD2 ))
(( segid "PAH3" and resid 505 and name HN ))
4.700 2.800 1.300 peak 411 spectrum 1 weight 0.10000E+01 volume 0.43313E-03 ppm1 8.161 ppm2 3.683 CV 1
ASSI { 412}
(( segid "PAH3" and resid 505 and name HB ))
(( segid "PAH3" and resid 505 and name HN ))
3.200 1.300 1.300 peak 412 spectrum 1 weight 0.10000E+01 volume 0.21261E-02 ppm1 8.159 ppm2 2.559 CV 1
ASSI { 413}
(( segid "PAH3" and resid 504 and name HB1 ))
(( segid "PAH3" and resid 505 and name HN ))
2.800 0.900 0.900 peak 413 spectrum 1 weight 0.10000E+01 volume 0.42092E-02 ppm1 8.159 ppm2 1.992 CV 1
ASSI { 414}
(( segid "PAH3" and resid 504 and name HB2 ))
(( segid "PAH3" and resid 505 and name HN ))
3.300 1.400 1.400 peak 414 spectrum 1 weight 0.10000E+01 volume 0.28804E-02 ppm1 8.156 ppm2 1.703 CV 1
ASSI { 415}
( segid "PAH3" and resid 505 and name HG1%)
(( segid "PAH3" and resid 505 and name HN ))
2.300 0.600 0.600 peak 415 spectrum 1 weight 0.10000E+01 volume 0.17598E-01 ppm1 8.159 ppm2 1.068 CV 1
ASSI { 416}
( segid "PAH3" and resid 502 and name HG1%)
(( segid "PAH3" and resid 505 and name HN ))
3.400 1.400 1.400 peak 416 spectrum 1 weight 0.10000E+01 volume 0.14725E-02 ppm1 8.160 ppm2 0.723 CV 1
OR { 416}
( segid "PAH3" and resid 504 and name HD2%)
(( segid "PAH3" and resid 505 and name HN ))
ASSI { 417}
( segid "PAH3" and resid 504 and name HD1%)
(( segid "PAH3" and resid 505 and name HN ))
3.200 1.300 1.300 peak 417 spectrum 1 weight 0.10000E+01 volume 0.12139E-02 ppm1 8.157 ppm2 0.827 CV 1
OR { 417}
( segid "PAH3" and resid 496 and name HG2%)
(( segid "PAH3" and resid 505 and name HN ))
ASSI { 418}
(( segid "PAH3" and resid 504 and name HN ))
(( segid "PAH3" and resid 506 and name HN ))
4.200 2.200 1.800 peak 418 spectrum 1 weight 0.10000E+01 volume 0.59187E-03 ppm1 7.970 ppm2 8.768 CV 1
ASSI { 419}
(( segid "PAH3" and resid 505 and name HN ))
(( segid "PAH3" and resid 506 and name HN ))
2.400 0.700 0.700 peak 419 spectrum 1 weight 0.10000E+01 volume 0.10846E-01 ppm1 7.971 ppm2 8.166 CV 1
ASSI { 420}
(( segid "PAH3" and resid 508 and name HN ))
(( segid "PAH3" and resid 506 and name HN ))
3.500 1.600 1.600 peak 420 spectrum 1 weight 0.10000E+01 volume 0.17957E-02 ppm1 7.967 ppm2 7.289 CV 1
ASSI { 421}
(( segid "PAH3" and resid 505 and name HA ))
(( segid "PAH3" and resid 506 and name HN ))
3.400 1.400 1.400 peak 421 spectrum 1 weight 0.10000E+01 volume 0.14007E-02 ppm1 7.968 ppm2 4.890 CV 1
ASSI { 422}
(( segid "PAH3" and resid 506 and name HB1 ))
(( segid "PAH3" and resid 506 and name HN ))
2.300 0.700 0.700 peak 422 spectrum 1 weight 0.10000E+01 volume 0.13504E-01 ppm1 7.971 ppm2 4.268 CV 1
OR { 422}
(( segid "PAH3" and resid 506 and name HB2 ))
(( segid "PAH3" and resid 506 and name HN ))
ASSI { 423}
(( segid "PAH3" and resid 503 and name HA ))
(( segid "PAH3" and resid 506 and name HN ))
3.200 1.300 1.300 peak 423 spectrum 1 weight 0.10000E+01 volume 0.33042E-02 ppm1 7.972 ppm2 4.128 CV 1
ASSI { 424}
(( segid "PAH3" and resid 507 and name HD1 ))
(( segid "PAH3" and resid 506 and name HN ))
2.500 0.800 0.800 peak 424 spectrum 1 weight 0.10000E+01 volume 0.11996E-01 ppm1 7.971 ppm2 3.830 CV 1
OR { 424}
(( segid "PAH3" and resid 506 and name HA ))
(( segid "PAH3" and resid 506 and name HN ))
ASSI { 425}
(( segid "PAH3" and resid 507 and name HD2 ))
(( segid "PAH3" and resid 506 and name HN ))
2.500 0.800 0.800 peak 425 spectrum 1 weight 0.10000E+01 volume 0.54806E-02 ppm1 7.970 ppm2 3.668 CV 1
ASSI { 426}
(( segid "PAH3" and resid 505 and name HB ))
(( segid "PAH3" and resid 506 and name HN ))
4.400 2.400 1.600 peak 426 spectrum 1 weight 0.10000E+01 volume 0.70752E-03 ppm1 7.971 ppm2 2.579 CV 1
ASSI { 427}
(( segid "PAH3" and resid 507 and name HG2 ))
(( segid "PAH3" and resid 506 and name HN ))
4.100 2.100 1.900 peak 427 spectrum 1 weight 0.10000E+01 volume 0.19897E-02 ppm1 7.971 ppm2 1.962 CV 1
OR { 427}
(( segid "PAH3" and resid 507 and name HG1 ))
(( segid "PAH3" and resid 506 and name HN ))
ASSI { 428}
( segid "PAH3" and resid 505 and name HG1%)
(( segid "PAH3" and resid 506 and name HN ))
2.900 1.100 1.100 peak 428 spectrum 1 weight 0.10000E+01 volume 0.66586E-02 ppm1 7.971 ppm2 1.078 CV 1
OR { 428}
( segid "PAH3" and resid 505 and name HG2%)
(( segid "PAH3" and resid 506 and name HN ))
ASSI { 429}
(( segid "PAH3" and resid 510 and name HN ))
(( segid "PAH3" and resid 508 and name HN ))
3.300 1.300 1.300 peak 429 spectrum 1 weight 0.10000E+01 volume 0.27511E-02 ppm1 7.280 ppm2 8.358 CV 1
ASSI { 430}
(( segid "PAH3" and resid 508 and name HA ))
(( segid "PAH3" and resid 508 and name HN ))
2.800 1.000 1.000 peak 430 spectrum 1 weight 0.10000E+01 volume 0.49490E-02 ppm1 7.277 ppm2 4.376 CV 1
ASSI { 431}
(( segid "PAH3" and resid 507 and name HA ))
(( segid "PAH3" and resid 508 and name HN ))
3.200 1.300 1.300 peak 431 spectrum 1 weight 0.10000E+01 volume 0.27726E-02 ppm1 7.277 ppm2 4.255 CV 1
OR { 431}
(( segid "PAH3" and resid 506 and name HB1 ))
(( segid "PAH3" and resid 508 and name HN ))
ASSI { 432}
(( segid "PAH3" and resid 508 and name HB1 ))
(( segid "PAH3" and resid 508 and name HN ))
3.500 1.500 1.500 peak 432 spectrum 1 weight 0.10000E+01 volume 0.56171E-02 ppm1 7.278 ppm2 3.159 CV 1
ASSI { 433}
(( segid "PAH3" and resid 508 and name HB2 ))
(( segid "PAH3" and resid 508 and name HN ))
2.700 0.900 0.900 peak 433 spectrum 1 weight 0.10000E+01 volume 0.44822E-02 ppm1 7.279 ppm2 2.953 CV 1
ASSI { 434}
(( segid "PAH3" and resid 507 and name HG2 ))
(( segid "PAH3" and resid 508 and name HN ))
3.300 1.300 1.300 peak 434 spectrum 1 weight 0.10000E+01 volume 0.29163E-02 ppm1 7.283 ppm2 1.957 CV 1
OR { 434}
(( segid "PAH3" and resid 507 and name HG1 ))
(( segid "PAH3" and resid 508 and name HN ))
ASSI { 436}
(( segid "PAH3" and resid 509 and name HA ))
(( segid "PAH3" and resid 509 and name HN ))
3.300 1.300 1.300 peak 436 spectrum 1 weight 0.10000E+01 volume 0.17526E-02 ppm1 7.310 ppm2 4.483 CV 1
ASSI { 437}
(( segid "PAH3" and resid 507 and name HD1 ))
(( segid "PAH3" and resid 508 and name HN ))
3.400 1.400 1.400 peak 437 spectrum 1 weight 0.10000E+01 volume 0.29809E-02 ppm1 7.316 ppm2 3.812 CV 1
OR { 437}
(( segid "PAH3" and resid 510 and name HA1 ))
(( segid "PAH3" and resid 509 and name HN ))
OR { 437}
(( segid "PAH3" and resid 506 and name HA ))
(( segid "PAH3" and resid 508 and name HN ))
ASSI { 438}
(( segid "PAH3" and resid 510 and name HA2 ))
(( segid "PAH3" and resid 509 and name HN ))
4.200 2.200 1.800 peak 438 spectrum 1 weight 0.10000E+01 volume 0.99843E-03 ppm1 7.317 ppm2 3.413 CV 1
ASSI { 439}
(( segid "PAH3" and resid 508 and name HB2 ))
(( segid "PAH3" and resid 508 and name HN ))
2.800 0.900 0.900 peak 439 spectrum 1 weight 0.10000E+01 volume 0.39219E-02 ppm1 7.317 ppm2 2.956 CV 1
OR { 439}
(( segid "PAH3" and resid 508 and name HB2 ))
(( segid "PAH3" and resid 509 and name HN ))
ASSI { 440}
(( segid "PAH3" and resid 493 and name HB1 ))
(( segid "PAH3" and resid 493 and name HE21))
3.800 1.800 1.800 peak 440 spectrum 1 weight 0.10000E+01 volume 0.16664E-02 ppm1 7.273 ppm2 2.229 CV 1
OR { 440}
(( segid "PAH3" and resid 507 and name HB1 ))
(( segid "PAH3" and resid 508 and name HN ))
ASSI { 441}
(( segid "PAH3" and resid 509 and name HG ))
(( segid "PAH3" and resid 509 and name HN ))
2.900 1.000 1.000 peak 441 spectrum 1 weight 0.10000E+01 volume 0.38932E-02 ppm1 7.316 ppm2 1.391 CV 1
ASSI { 442}
(( segid "PAH3" and resid 509 and name HB1 ))
(( segid "PAH3" and resid 509 and name HN ))
3.600 1.600 1.600 peak 442 spectrum 1 weight 0.10000E+01 volume 0.33472E-02 ppm1 7.319 ppm2 1.172 CV 1
ASSI { 443}
(( segid "PAH3" and resid 509 and name HB2 ))
(( segid "PAH3" and resid 509 and name HN ))
2.700 0.900 0.900 peak 443 spectrum 1 weight 0.10000E+01 volume 0.48485E-02 ppm1 7.318 ppm2 0.790 CV 1
ASSI { 444}
( segid "PAH3" and resid 509 and name HD2%)
(( segid "PAH3" and resid 509 and name HN ))
3.400 1.400 1.400 peak 444 spectrum 1 weight 0.10000E+01 volume 0.26792E-02 ppm1 7.315 ppm2 0.479 CV 1
ASSI { 445}
( segid "PAH3" and resid 509 and name HD1%)
(( segid "PAH3" and resid 509 and name HN ))
3.800 1.800 1.800 peak 445 spectrum 1 weight 0.10000E+01 volume 0.23488E-02 ppm1 7.320 ppm2 0.623 CV 1
ASSI { 446}
( segid "PAH3" and resid 505 and name HG2%)
(( segid "PAH3" and resid 509 and name HN ))
3.500 1.500 1.500 peak 446 spectrum 1 weight 0.10000E+01 volume 0.21908E-02 ppm1 7.320 ppm2 1.068 CV 1
OR { 446}
( segid "PAH3" and resid 505 and name HG1%)
(( segid "PAH3" and resid 509 and name HN ))
ASSI { 447}
(( segid "PAH3" and resid 509 and name HN ))
(( segid "PAH3" and resid 510 and name HN ))
2.400 0.700 0.700 peak 447 spectrum 1 weight 0.10000E+01 volume 0.11493E-01 ppm1 8.360 ppm2 7.312 CV 1
ASSI { 448}
(( segid "PAH3" and resid 511 and name HN ))
(( segid "PAH3" and resid 510 and name HN ))
2.600 0.900 0.900 peak 448 spectrum 1 weight 0.10000E+01 volume 0.57176E-02 ppm1 8.360 ppm2 7.093 CV 1
ASSI { 449}
(( segid "PAH3" and resid 507 and name HA ))
(( segid "PAH3" and resid 510 and name HN ))
3.300 1.400 1.400 peak 449 spectrum 1 weight 0.10000E+01 volume 0.22914E-02 ppm1 8.360 ppm2 4.268 CV 1
ASSI { 450}
(( segid "PAH3" and resid 509 and name HB1 ))
(( segid "PAH3" and resid 510 and name HN ))
3.600 1.600 1.600 peak 450 spectrum 1 weight 0.10000E+01 volume 0.25715E-02 ppm1 8.356 ppm2 1.132 CV 1
OR { 450}
(( segid "PAH3" and resid 511 and name HB2 ))
(( segid "PAH3" and resid 510 and name HN ))
ASSI { 451}
(( segid "PAH3" and resid 509 and name HB2 ))
(( segid "PAH3" and resid 510 and name HN ))
3.500 1.600 1.600 peak 451 spectrum 1 weight 0.10000E+01 volume 0.18747E-02 ppm1 8.359 ppm2 0.794 CV 1
OR { 451}
(( segid "PAH3" and resid 511 and name HG2 ))
(( segid "PAH3" and resid 510 and name HN ))
ASSI { 452}
(( segid "PAH3" and resid 509 and name HA ))
(( segid "PAH3" and resid 510 and name HN ))
3.400 1.400 1.400 peak 452 spectrum 1 weight 0.10000E+01 volume 0.14797E-02 ppm1 8.356 ppm2 4.483 CV 1
ASSI { 453}
(( segid "PAH3" and resid 510 and name HA2 ))
(( segid "PAH3" and resid 510 and name HN ))
2.800 1.000 1.000 peak 453 spectrum 1 weight 0.10000E+01 volume 0.98406E-02 ppm1 8.358 ppm2 3.424 CV 1
ASSI { 454}
(( segid "PAH3" and resid 510 and name HA1 ))
(( segid "PAH3" and resid 510 and name HN ))
2.200 0.600 0.600 peak 454 spectrum 1 weight 0.10000E+01 volume 0.17455E-01 ppm1 8.360 ppm2 3.797 CV 1
ASSI { 457}
(( segid "PAH3" and resid 511 and name HA ))
(( segid "PAH3" and resid 511 and name HN ))
2.600 0.900 0.900 peak 457 spectrum 1 weight 0.10000E+01 volume 0.70249E-02 ppm1 7.093 ppm2 4.012 CV 1
ASSI { 458}
(( segid "PAH3" and resid 510 and name HA1 ))
(( segid "PAH3" and resid 511 and name HN ))
2.900 1.100 1.100 peak 458 spectrum 1 weight 0.10000E+01 volume 0.38788E-02 ppm1 7.094 ppm2 3.787 CV 1
ASSI { 459}
(( segid "PAH3" and resid 510 and name HA2 ))
(( segid "PAH3" and resid 511 and name HN ))
3.300 1.300 1.300 peak 459 spectrum 1 weight 0.10000E+01 volume 0.26936E-02 ppm1 7.090 ppm2 3.448 CV 1
ASSI { 460}
(( segid "PAH3" and resid 511 and name HD2 ))
(( segid "PAH3" and resid 511 and name HN ))
3.200 3.200 2.800 peak 460 spectrum 1 weight 0.10000E+01 volume 0.15371E-02 ppm1 7.093 ppm2 1.475 CV 1
OR { 460}
(( segid "PAH3" and resid 511 and name HD1 ))
(( segid "PAH3" and resid 511 and name HN ))
ASSI { 461}
(( segid "PAH3" and resid 511 and name HB1 ))
(( segid "PAH3" and resid 511 and name HN ))
2.900 1.000 1.000 peak 461 spectrum 1 weight 0.10000E+01 volume 0.68884E-02 ppm1 7.092 ppm2 1.237 CV 1
ASSI { 462}
(( segid "PAH3" and resid 511 and name HB2 ))
(( segid "PAH3" and resid 511 and name HN ))
2.400 0.700 0.700 peak 462 spectrum 1 weight 0.10000E+01 volume 0.11565E-01 ppm1 7.094 ppm2 1.118 CV 1
ASSI { 463}
(( segid "PAH3" and resid 511 and name HG1 ))
(( segid "PAH3" and resid 511 and name HN ))
2.900 1.000 1.000 peak 463 spectrum 1 weight 0.10000E+01 volume 0.48054E-02 ppm1 7.091 ppm2 0.967 CV 1
ASSI { 464}
(( segid "PAH3" and resid 511 and name HG2 ))
(( segid "PAH3" and resid 511 and name HN ))
3.100 1.200 1.200 peak 464 spectrum 1 weight 0.10000E+01 volume 0.53297E-02 ppm1 7.093 ppm2 0.819 CV 1
ASSI { 465}
( segid "PAH3" and resid 509 and name HD2%)
(( segid "PAH3" and resid 511 and name HN ))
4.900 3.000 1.100 peak 465 spectrum 1 weight 0.10000E+01 volume 0.42307E-03 ppm1 7.093 ppm2 0.485 CV 1
ASSI { 466}
(( segid "PAH3" and resid 511 and name HN ))
(( segid "PAH3" and resid 512 and name HN ))
2.300 0.600 0.600 peak 466 spectrum 1 weight 0.10000E+01 volume 0.11996E-01 ppm1 7.799 ppm2 7.089 CV 1
ASSI { 467}
(( segid "PAH3" and resid 509 and name HN ))
(( segid "PAH3" and resid 512 and name HN ))
3.700 1.700 1.700 peak 467 spectrum 1 weight 0.10000E+01 volume 0.23847E-02 ppm1 7.797 ppm2 7.331 CV 1
ASSI { 468}
( segid "PAH3" and resid 512 and name HD% )
(( segid "PAH3" and resid 512 and name HN ))
3.100 1.200 1.200 peak 468 spectrum 1 weight 0.10000E+01 volume 0.29378E-02 ppm1 7.802 ppm2 7.212 CV 1
ASSI { 469}
(( segid "PAH3" and resid 512 and name HA ))
(( segid "PAH3" and resid 512 and name HN ))
2.700 0.900 0.900 peak 469 spectrum 1 weight 0.10000E+01 volume 0.50352E-02 ppm1 7.799 ppm2 5.223 CV 1
ASSI { 470}
(( segid "PAH3" and resid 509 and name HA ))
(( segid "PAH3" and resid 512 and name HN ))
3.500 1.500 1.500 peak 470 spectrum 1 weight 0.10000E+01 volume 0.13935E-02 ppm1 7.800 ppm2 4.482 CV 1
ASSI { 471}
(( segid "PAH3" and resid 513 and name HA ))
(( segid "PAH3" and resid 512 and name HN ))
3.900 1.900 1.900 peak 471 spectrum 1 weight 0.10000E+01 volume 0.79731E-03 ppm1 7.805 ppm2 4.320 CV 1
ASSI { 472}
(( segid "PAH3" and resid 511 and name HA ))
(( segid "PAH3" and resid 512 and name HN ))
3.100 1.200 1.200 peak 472 spectrum 1 weight 0.10000E+01 volume 0.39003E-02 ppm1 7.801 ppm2 4.014 CV 1
ASSI { 473}
(( segid "PAH3" and resid 513 and name HD1 ))
(( segid "PAH3" and resid 512 and name HN ))
3.400 1.500 1.500 peak 473 spectrum 1 weight 0.10000E+01 volume 0.17957E-02 ppm1 7.801 ppm2 3.888 CV 1
ASSI { 474}
(( segid "PAH3" and resid 513 and name HD2 ))
(( segid "PAH3" and resid 512 and name HN ))
3.800 1.800 1.800 peak 474 spectrum 1 weight 0.10000E+01 volume 0.24566E-02 ppm1 7.804 ppm2 3.581 CV 1
ASSI { 475}
(( segid "PAH3" and resid 510 and name HA2 ))
(( segid "PAH3" and resid 512 and name HN ))
3.200 1.300 1.300 peak 475 spectrum 1 weight 0.10000E+01 volume 0.30743E-02 ppm1 7.802 ppm2 3.442 CV 1
OR { 475}
(( segid "PAH3" and resid 516 and name HB2 ))
(( segid "PAH3" and resid 512 and name HN ))
ASSI { 476}
(( segid "PAH3" and resid 512 and name HB2 ))
(( segid "PAH3" and resid 512 and name HN ))
2.500 0.800 0.800 peak 476 spectrum 1 weight 0.10000E+01 volume 0.58685E-02 ppm1 7.800 ppm2 3.085 CV 1
ASSI { 477}
(( segid "PAH3" and resid 512 and name HB1 ))
(( segid "PAH3" and resid 512 and name HN ))
3.400 1.400 1.400 peak 477 spectrum 1 weight 0.10000E+01 volume 0.48269E-02 ppm1 7.799 ppm2 3.225 CV 1
ASSI { 478}
(( segid "PAH3" and resid 511 and name HB1 ))
(( segid "PAH3" and resid 512 and name HN ))
3.700 1.700 1.700 peak 478 spectrum 1 weight 0.10000E+01 volume 0.25715E-02 ppm1 7.801 ppm2 1.226 CV 1
ASSI { 479}
(( segid "PAH3" and resid 511 and name HB2 ))
(( segid "PAH3" and resid 512 and name HN ))
3.200 1.300 1.300 peak 479 spectrum 1 weight 0.10000E+01 volume 0.23847E-02 ppm1 7.805 ppm2 1.116 CV 1
ASSI { 480}
( segid "PAH3" and resid 509 and name HD2%)
(( segid "PAH3" and resid 512 and name HN ))
4.200 2.200 1.800 peak 480 spectrum 1 weight 0.10000E+01 volume 0.86195E-03 ppm1 7.800 ppm2 0.465 CV 1
ASSI { 482}
(( segid "PAH3" and resid 514 and name HA ))
(( segid "PAH3" and resid 514 and name HN ))
2.900 1.000 1.000 peak 482 spectrum 1 weight 0.10000E+01 volume 0.47910E-02 ppm1 9.153 ppm2 4.330 CV 1
OR { 482}
(( segid "PAH3" and resid 513 and name HA ))
(( segid "PAH3" and resid 514 and name HN ))
ASSI { 483}
(( segid "PAH3" and resid 513 and name HB1 ))
(( segid "PAH3" and resid 514 and name HN ))
4.000 2.000 2.000 peak 483 spectrum 1 weight 0.10000E+01 volume 0.17957E-02 ppm1 9.156 ppm2 2.487 CV 1
OR { 483}
(( segid "PAH3" and resid 514 and name HG1 ))
(( segid "PAH3" and resid 514 and name HN ))
ASSI { 484}
(( segid "PAH3" and resid 514 and name HG2 ))
(( segid "PAH3" and resid 514 and name HN ))
3.400 1.400 1.400 peak 484 spectrum 1 weight 0.10000E+01 volume 0.18388E-02 ppm1 9.154 ppm2 2.375 CV 1
ASSI { 485}
(( segid "PAH3" and resid 514 and name HB1 ))
(( segid "PAH3" and resid 514 and name HN ))
2.500 0.800 0.800 peak 485 spectrum 1 weight 0.10000E+01 volume 0.10774E-01 ppm1 9.152 ppm2 2.156 CV 1
OR { 485}
(( segid "PAH3" and resid 514 and name HB2 ))
(( segid "PAH3" and resid 514 and name HN ))
ASSI { 486}
(( segid "PAH3" and resid 514 and name HN ))
(( segid "PAH3" and resid 515 and name HN ))
2.800 1.000 1.000 peak 486 spectrum 1 weight 0.10000E+01 volume 0.46114E-02 ppm1 7.711 ppm2 9.139 CV 1
ASSI { 487}
(( segid "PAH3" and resid 516 and name HN ))
(( segid "PAH3" and resid 515 and name HN ))
2.500 0.800 0.800 peak 487 spectrum 1 weight 0.10000E+01 volume 0.77576E-02 ppm1 7.708 ppm2 8.974 CV 1
ASSI { 488}
( segid "PAH3" and resid 512 and name HD% )
(( segid "PAH3" and resid 515 and name HN ))
4.900 3.000 1.100 peak 488 spectrum 1 weight 0.10000E+01 volume 0.53369E-03 ppm1 7.709 ppm2 7.206 CV 1
ASSI { 489}
(( segid "PAH3" and resid 514 and name HA ))
(( segid "PAH3" and resid 515 and name HN ))
3.300 1.400 1.400 peak 489 spectrum 1 weight 0.10000E+01 volume 0.23991E-02 ppm1 7.707 ppm2 4.341 CV 1
ASSI { 490}
(( segid "PAH3" and resid 516 and name HB2 ))
(( segid "PAH3" and resid 515 and name HN ))
4.000 2.000 2.000 peak 490 spectrum 1 weight 0.10000E+01 volume 0.20328E-02 ppm1 7.706 ppm2 3.418 CV 1
OR { 490}
(( segid "PAH3" and resid 516 and name HB1 ))
(( segid "PAH3" and resid 515 and name HN ))
ASSI { 491}
(( segid "PAH3" and resid 512 and name HB1 ))
(( segid "PAH3" and resid 515 and name HN ))
3.200 1.200 1.200 peak 491 spectrum 1 weight 0.10000E+01 volume 0.19969E-02 ppm1 7.705 ppm2 3.221 CV 1
ASSI { 492}
(( segid "PAH3" and resid 515 and name HB1 ))
(( segid "PAH3" and resid 515 and name HN ))
2.700 0.900 0.900 peak 492 spectrum 1 weight 0.10000E+01 volume 0.68597E-02 ppm1 7.707 ppm2 2.325 CV 1
ASSI { 493}
(( segid "PAH3" and resid 514 and name HB1 ))
(( segid "PAH3" and resid 515 and name HN ))
2.900 1.100 1.100 peak 493 spectrum 1 weight 0.10000E+01 volume 0.49562E-02 ppm1 7.708 ppm2 2.173 CV 1
OR { 493}
(( segid "PAH3" and resid 514 and name HB2 ))
(( segid "PAH3" and resid 515 and name HN ))
ASSI { 494}
(( segid "PAH3" and resid 515 and name HG ))
(( segid "PAH3" and resid 515 and name HN ))
3.200 1.300 1.300 peak 494 spectrum 1 weight 0.10000E+01 volume 0.73984E-02 ppm1 7.709 ppm2 1.841 CV 1
ASSI { 495}
(( segid "PAH3" and resid 515 and name HB2 ))
(( segid "PAH3" and resid 515 and name HN ))
2.700 0.900 0.900 peak 495 spectrum 1 weight 0.10000E+01 volume 0.35196E-02 ppm1 7.705 ppm2 1.514 CV 1
ASSI { 496}
( segid "PAH3" and resid 515 and name HD1%)
(( segid "PAH3" and resid 515 and name HN ))
3.800 1.800 1.800 peak 496 spectrum 1 weight 0.10000E+01 volume 0.29450E-02 ppm1 7.707 ppm2 0.722 CV 1
ASSI { 497}
( segid "PAH3" and resid 509 and name HD2%)
(( segid "PAH3" and resid 515 and name HN ))
3.000 1.100 1.100 peak 497 spectrum 1 weight 0.10000E+01 volume 0.38141E-02 ppm1 7.712 ppm2 0.458 CV 1
OR { 497}
( segid "PAH3" and resid 515 and name HD2%)
(( segid "PAH3" and resid 515 and name HN ))
ASSI { 499}
( segid "PAH3" and resid 516 and name HE% )
(( segid "PAH3" and resid 516 and name HN ))
4.700 2.800 1.300 peak 499 spectrum 1 weight 0.10000E+01 volume 0.96970E-03 ppm1 8.980 ppm2 7.344 CV 1
OR { 499}
(( segid "PAH3" and resid 509 and name HN ))
(( segid "PAH3" and resid 516 and name HN ))
ASSI { 500}
(( segid "PAH3" and resid 513 and name HA ))
(( segid "PAH3" and resid 516 and name HN ))
3.400 1.400 1.400 peak 500 spectrum 1 weight 0.10000E+01 volume 0.21046E-02 ppm1 8.974 ppm2 4.335 CV 1
OR { 500}
(( segid "PAH3" and resid 514 and name HA ))
(( segid "PAH3" and resid 516 and name HN ))
ASSI { 501}
(( segid "PAH3" and resid 516 and name HB2 ))
(( segid "PAH3" and resid 516 and name HN ))
2.300 0.700 0.700 peak 501 spectrum 1 weight 0.10000E+01 volume 0.13145E-01 ppm1 8.976 ppm2 3.415 CV 1
OR { 501}
(( segid "PAH3" and resid 516 and name HB1 ))
(( segid "PAH3" and resid 516 and name HN ))
ASSI { 502}
(( segid "PAH3" and resid 515 and name HB1 ))
(( segid "PAH3" and resid 516 and name HN ))
2.800 1.000 1.000 peak 502 spectrum 1 weight 0.10000E+01 volume 0.26936E-02 ppm1 8.974 ppm2 2.296 CV 1
ASSI { 503}
(( segid "PAH3" and resid 515 and name HG ))
(( segid "PAH3" and resid 516 and name HN ))
3.800 1.800 1.800 peak 503 spectrum 1 weight 0.10000E+01 volume 0.13432E-02 ppm1 8.971 ppm2 1.834 CV 1
ASSI { 504}
(( segid "PAH3" and resid 509 and name HB1 ))
(( segid "PAH3" and resid 516 and name HN ))
4.000 2.000 2.000 peak 504 spectrum 1 weight 0.10000E+01 volume 0.60337E-03 ppm1 8.974 ppm2 1.170 CV 1
ASSI { 505}
(( segid "PAH3" and resid 515 and name HA ))
(( segid "PAH3" and resid 516 and name HN ))
3.900 1.900 1.900 peak 505 spectrum 1 weight 0.10000E+01 volume 0.77576E-03 ppm1 8.977 ppm2 4.690 CV 1
ASSI { 506}
(( segid "PAH3" and resid 516 and name HA ))
(( segid "PAH3" and resid 516 and name HN ))
3.300 1.400 1.400 peak 506 spectrum 1 weight 0.10000E+01 volume 0.17742E-02 ppm1 8.976 ppm2 4.885 CV 1
ASSI { 507}
(( segid "PAH3" and resid 516 and name HN ))
(( segid "PAH3" and resid 517 and name HN ))
2.600 0.900 0.900 peak 507 spectrum 1 weight 0.10000E+01 volume 0.63856E-02 ppm1 9.086 ppm2 8.970 CV 1
ASSI { 508}
(( segid "PAH3" and resid 518 and name HN ))
(( segid "PAH3" and resid 517 and name HN ))
2.700 0.900 0.900 peak 508 spectrum 1 weight 0.10000E+01 volume 0.60480E-02 ppm1 9.086 ppm2 7.771 CV 1
ASSI { 509}
(( segid "PAH3" and resid 516 and name HA ))
(( segid "PAH3" and resid 517 and name HN ))
3.900 1.900 1.900 peak 509 spectrum 1 weight 0.10000E+01 volume 0.84759E-03 ppm1 9.083 ppm2 4.869 CV 1
ASSI { 510}
(( segid "PAH3" and resid 516 and name HB1 ))
(( segid "PAH3" and resid 517 and name HN ))
2.500 0.800 0.800 peak 510 spectrum 1 weight 0.10000E+01 volume 0.96251E-02 ppm1 9.088 ppm2 3.419 CV 1
OR { 510}
(( segid "PAH3" and resid 516 and name HB2 ))
(( segid "PAH3" and resid 517 and name HN ))
ASSI { 511}
(( segid "PAH3" and resid 517 and name HB1 ))
(( segid "PAH3" and resid 517 and name HN ))
2.600 0.900 0.900 peak 511 spectrum 1 weight 0.10000E+01 volume 0.94815E-02 ppm1 9.088 ppm2 3.027 CV 1
ASSI { 512}
(( segid "PAH3" and resid 517 and name HB2 ))
(( segid "PAH3" and resid 517 and name HN ))
2.700 0.900 0.900 peak 512 spectrum 1 weight 0.10000E+01 volume 0.58972E-02 ppm1 9.089 ppm2 2.843 CV 1
ASSI { 513}
(( segid "PAH3" and resid 517 and name HA ))
(( segid "PAH3" and resid 517 and name HN ))
2.600 0.800 0.800 peak 513 spectrum 1 weight 0.10000E+01 volume 0.82604E-02 ppm1 9.086 ppm2 4.375 CV 1
ASSI { 515}
(( segid "PAH3" and resid 519 and name HN ))
(( segid "PAH3" and resid 518 and name HN ))
2.700 0.900 0.900 peak 515 spectrum 1 weight 0.10000E+01 volume 0.61486E-02 ppm1 7.786 ppm2 8.434 CV 1
ASSI { 516}
(( segid "PAH3" and resid 517 and name HA ))
(( segid "PAH3" and resid 518 and name HN ))
3.200 1.300 1.300 peak 516 spectrum 1 weight 0.10000E+01 volume 0.27582E-02 ppm1 7.785 ppm2 4.407 CV 1
ASSI { 517}
(( segid "PAH3" and resid 518 and name HA ))
(( segid "PAH3" and resid 518 and name HN ))
2.800 1.000 1.000 peak 517 spectrum 1 weight 0.10000E+01 volume 0.58685E-02 ppm1 7.784 ppm2 4.030 CV 1
ASSI { 518}
(( segid "PAH3" and resid 518 and name HB1 ))
(( segid "PAH3" and resid 518 and name HN ))
2.400 0.700 0.700 peak 518 spectrum 1 weight 0.10000E+01 volume 0.15731E-01 ppm1 7.784 ppm2 3.639 CV 1
ASSI { 519}
(( segid "PAH3" and resid 518 and name HB2 ))
(( segid "PAH3" and resid 518 and name HN ))
2.300 0.700 0.700 peak 519 spectrum 1 weight 0.10000E+01 volume 0.11493E-01 ppm1 7.785 ppm2 3.471 CV 1
ASSI { 520}
(( segid "PAH3" and resid 517 and name HB1 ))
(( segid "PAH3" and resid 518 and name HN ))
2.700 0.900 0.900 peak 520 spectrum 1 weight 0.10000E+01 volume 0.53297E-02 ppm1 7.785 ppm2 3.028 CV 1
ASSI { 521}
(( segid "PAH3" and resid 517 and name HB2 ))
(( segid "PAH3" and resid 518 and name HN ))
3.200 1.300 1.300 peak 521 spectrum 1 weight 0.10000E+01 volume 0.42738E-02 ppm1 7.787 ppm2 2.846 CV 1
OR { 521}
(( segid "PAH3" and resid 471 and name HA ))
(( segid "PAH3" and resid 474 and name HN ))
ASSI { 522}
(( segid "PAH3" and resid 521 and name HB2 ))
(( segid "PAH3" and resid 518 and name HN ))
3.300 3.300 2.700 peak 522 spectrum 1 weight 0.10000E+01 volume 0.96251E-03 ppm1 7.786 ppm2 2.516 CV 1
OR { 522}
(( segid "PAH3" and resid 513 and name HB1 ))
(( segid "PAH3" and resid 518 and name HN ))
ASSI { 523}
(( segid "PAH3" and resid 520 and name HN ))
(( segid "PAH3" and resid 519 and name HN ))
2.700 0.900 0.900 peak 523 spectrum 1 weight 0.10000E+01 volume 0.46402E-02 ppm1 8.435 ppm2 8.654 CV 1
ASSI { 525}
( segid "PAH3" and resid 467 and name HE% )
(( segid "PAH3" and resid 519 and name HN ))
3.200 1.300 1.300 peak 525 spectrum 1 weight 0.10000E+01 volume 0.20328E-02 ppm1 8.433 ppm2 7.192 CV 1
ASSI { 526}
(( segid "PAH3" and resid 516 and name HA ))
(( segid "PAH3" and resid 519 and name HN ))
3.500 1.600 1.600 peak 526 spectrum 1 weight 0.10000E+01 volume 0.12067E-02 ppm1 8.427 ppm2 4.890 CV 1
ASSI { 527}
(( segid "PAH3" and resid 518 and name HA ))
(( segid "PAH3" and resid 519 and name HN ))
3.500 1.600 1.600 peak 527 spectrum 1 weight 0.10000E+01 volume 0.17024E-02 ppm1 8.435 ppm2 4.028 CV 1
ASSI { 528}
(( segid "PAH3" and resid 519 and name HA ))
(( segid "PAH3" and resid 519 and name HN ))
3.000 1.100 1.100 peak 528 spectrum 1 weight 0.10000E+01 volume 0.30456E-02 ppm1 8.430 ppm2 3.889 CV 1
ASSI { 529}
(( segid "PAH3" and resid 519 and name HB2 ))
(( segid "PAH3" and resid 519 and name HN ))
2.100 0.600 0.600 peak 529 spectrum 1 weight 0.10000E+01 volume 0.17239E-01 ppm1 8.433 ppm2 3.618 CV 1
OR { 529}
(( segid "PAH3" and resid 518 and name HB1 ))
(( segid "PAH3" and resid 519 and name HN ))
OR { 529}
(( segid "PAH3" and resid 519 and name HB1 ))
(( segid "PAH3" and resid 519 and name HN ))
ASSI { 530}
(( segid "PAH3" and resid 518 and name HB2 ))
(( segid "PAH3" and resid 519 and name HN ))
3.500 1.500 1.500 peak 530 spectrum 1 weight 0.10000E+01 volume 0.59690E-02 ppm1 8.435 ppm2 3.481 CV 1
ASSI { 531}
(( segid "PAH3" and resid 519 and name HN ))
(( segid "PAH3" and resid 520 and name HN ))
2.900 1.000 1.000 peak 531 spectrum 1 weight 0.10000E+01 volume 0.36489E-02 ppm1 8.652 ppm2 8.417 CV 1
ASSI { 533}
(( segid "PAH3" and resid 516 and name HA ))
(( segid "PAH3" and resid 520 and name HN ))
4.500 2.600 1.500 peak 533 spectrum 1 weight 0.10000E+01 volume 0.40512E-03 ppm1 8.657 ppm2 4.874 CV 1
ASSI { 534}
(( segid "PAH3" and resid 517 and name HA ))
(( segid "PAH3" and resid 520 and name HN ))
3.300 1.400 1.400 peak 534 spectrum 1 weight 0.10000E+01 volume 0.20974E-02 ppm1 8.658 ppm2 4.407 CV 1
ASSI { 535}
(( segid "PAH3" and resid 519 and name HB1 ))
(( segid "PAH3" and resid 520 and name HN ))
2.400 0.700 0.700 peak 535 spectrum 1 weight 0.10000E+01 volume 0.10272E-01 ppm1 8.651 ppm2 3.608 CV 1
OR { 535}
(( segid "PAH3" and resid 520 and name HA ))
(( segid "PAH3" and resid 520 and name HN ))
OR { 535}
(( segid "PAH3" and resid 519 and name HB2 ))
(( segid "PAH3" and resid 520 and name HN ))
ASSI { 536}
(( segid "PAH3" and resid 519 and name HA ))
(( segid "PAH3" and resid 520 and name HN ))
3.900 1.900 1.900 peak 536 spectrum 1 weight 0.10000E+01 volume 0.75421E-03 ppm1 8.652 ppm2 3.869 CV 1
ASSI { 537}
(( segid "PAH3" and resid 520 and name HG2 ))
(( segid "PAH3" and resid 520 and name HN ))
3.800 1.800 1.800 peak 537 spectrum 1 weight 0.10000E+01 volume 0.22052E-02 ppm1 8.652 ppm2 0.940 CV 1
ASSI { 538}
(( segid "PAH3" and resid 520 and name HN ))
(( segid "PAH3" and resid 521 and name HN ))
2.600 0.800 0.800 peak 538 spectrum 1 weight 0.10000E+01 volume 0.63928E-02 ppm1 8.064 ppm2 8.656 CV 1
ASSI { 539}
(( segid "PAH3" and resid 522 and name HN ))
(( segid "PAH3" and resid 521 and name HN ))
2.700 0.900 0.900 peak 539 spectrum 1 weight 0.10000E+01 volume 0.60193E-02 ppm1 8.062 ppm2 8.392 CV 1
ASSI { 540}
(( segid "PAH3" and resid 521 and name HA ))
(( segid "PAH3" and resid 521 and name HN ))
2.700 0.900 0.900 peak 540 spectrum 1 weight 0.10000E+01 volume 0.77576E-02 ppm1 8.063 ppm2 4.368 CV 1
ASSI { 541}
(( segid "PAH3" and resid 518 and name HA ))
(( segid "PAH3" and resid 521 and name HN ))
3.600 1.600 1.600 peak 541 spectrum 1 weight 0.10000E+01 volume 0.15515E-02 ppm1 8.066 ppm2 4.018 CV 1
ASSI { 542}
(( segid "PAH3" and resid 522 and name HA ))
(( segid "PAH3" and resid 521 and name HN ))
4.100 2.100 1.900 peak 542 spectrum 1 weight 0.10000E+01 volume 0.14653E-02 ppm1 8.059 ppm2 3.843 CV 1
ASSI { 543}
(( segid "PAH3" and resid 520 and name HA ))
(( segid "PAH3" and resid 521 and name HN ))
3.300 1.300 1.300 peak 543 spectrum 1 weight 0.10000E+01 volume 0.31677E-02 ppm1 8.067 ppm2 3.595 CV 1
OR { 543}
(( segid "PAH3" and resid 519 and name HB1 ))
(( segid "PAH3" and resid 521 and name HN ))
ASSI { 544}
(( segid "PAH3" and resid 521 and name HB1 ))
(( segid "PAH3" and resid 521 and name HN ))
2.400 0.700 0.700 peak 544 spectrum 1 weight 0.10000E+01 volume 0.12786E-01 ppm1 8.061 ppm2 2.712 CV 1
ASSI { 545}
(( segid "PAH3" and resid 521 and name HB2 ))
(( segid "PAH3" and resid 521 and name HN ))
2.500 0.800 0.800 peak 545 spectrum 1 weight 0.10000E+01 volume 0.94096E-02 ppm1 8.061 ppm2 2.547 CV 1
ASSI { 546}
(( segid "PAH3" and resid 520 and name HG1 ))
(( segid "PAH3" and resid 521 and name HN ))
4.000 2.000 2.000 peak 546 spectrum 1 weight 0.10000E+01 volume 0.18388E-02 ppm1 8.061 ppm2 1.360 CV 1
ASSI { 547}
(( segid "PAH3" and resid 520 and name HB1 ))
(( segid "PAH3" and resid 521 and name HN ))
3.100 1.200 1.200 peak 547 spectrum 1 weight 0.10000E+01 volume 0.76139E-02 ppm1 8.064 ppm2 1.917 CV 1
OR { 547}
(( segid "PAH3" and resid 522 and name HB2 ))
(( segid "PAH3" and resid 521 and name HN ))
ASSI { 549}
(( segid "PAH3" and resid 523 and name HN ))
(( segid "PAH3" and resid 522 and name HN ))
2.600 0.900 0.900 peak 549 spectrum 1 weight 0.10000E+01 volume 0.63210E-02 ppm1 8.389 ppm2 7.178 CV 1
ASSI { 550}
( segid "PAH3" and resid 522 and name HD% )
(( segid "PAH3" and resid 522 and name HN ))
4.500 2.500 1.500 peak 550 spectrum 1 weight 0.10000E+01 volume 0.12067E-02 ppm1 8.389 ppm2 6.830 CV 1
ASSI { 551}
(( segid "PAH3" and resid 521 and name HA ))
(( segid "PAH3" and resid 522 and name HN ))
3.600 1.600 1.600 peak 551 spectrum 1 weight 0.10000E+01 volume 0.16377E-02 ppm1 8.388 ppm2 4.345 CV 1
ASSI { 552}
(( segid "PAH3" and resid 522 and name HA ))
(( segid "PAH3" and resid 522 and name HN ))
2.700 0.900 0.900 peak 552 spectrum 1 weight 0.10000E+01 volume 0.68238E-02 ppm1 8.389 ppm2 3.855 CV 1
ASSI { 553}
(( segid "PAH3" and resid 521 and name HB1 ))
(( segid "PAH3" and resid 522 and name HN ))
2.800 1.000 1.000 peak 553 spectrum 1 weight 0.10000E+01 volume 0.34837E-02 ppm1 8.391 ppm2 2.710 CV 1
ASSI { 554}
(( segid "PAH3" and resid 522 and name HB1 ))
(( segid "PAH3" and resid 522 and name HN ))
2.400 0.800 0.800 peak 554 spectrum 1 weight 0.10000E+01 volume 0.11636E-01 ppm1 8.389 ppm2 2.518 CV 1
OR { 554}
(( segid "PAH3" and resid 521 and name HB2 ))
(( segid "PAH3" and resid 522 and name HN ))
ASSI { 555}
(( segid "PAH3" and resid 522 and name HB2 ))
(( segid "PAH3" and resid 522 and name HN ))
2.600 0.800 0.800 peak 555 spectrum 1 weight 0.10000E+01 volume 0.90505E-02 ppm1 8.392 ppm2 1.942 CV 1
ASSI { 556}
(( segid "PAH3" and resid 523 and name HB2 ))
(( segid "PAH3" and resid 522 and name HN ))
4.400 2.400 1.600 peak 556 spectrum 1 weight 0.10000E+01 volume 0.10200E-02 ppm1 8.386 ppm2 1.323 CV 1
OR { 556}
(( segid "PAH3" and resid 523 and name HG ))
(( segid "PAH3" and resid 522 and name HN ))
ASSI { 557}
( segid "PAH3" and resid 523 and name HD2%)
(( segid "PAH3" and resid 522 and name HN ))
3.700 1.700 1.700 peak 557 spectrum 1 weight 0.10000E+01 volume 0.39291E-03 ppm1 8.394 ppm2 0.349 CV 1
ASSI { 559}
(( segid "PAH3" and resid 526 and name HG1 ))
(( segid "PAH3" and resid 526 and name HN ))
2.900 1.000 1.000 peak 559 spectrum 1 weight 0.10000E+01 volume 0.53297E-02 ppm1 7.844 ppm2 1.265 CV 1
OR { 559}
(( segid "PAH3" and resid 526 and name HG2 ))
(( segid "PAH3" and resid 526 and name HN ))
ASSI { 560}
(( segid "PAH3" and resid 524 and name HN ))
(( segid "PAH3" and resid 523 and name HN ))
2.500 0.800 0.800 peak 560 spectrum 1 weight 0.10000E+01 volume 0.73984E-02 ppm1 7.178 ppm2 7.694 CV 1
ASSI { 561}
(( segid "PAH3" and resid 526 and name HB2 ))
(( segid "PAH3" and resid 526 and name HN ))
2.600 0.900 0.900 peak 561 spectrum 1 weight 0.10000E+01 volume 0.73984E-02 ppm1 7.843 ppm2 1.542 CV 1
OR { 561}
(( segid "PAH3" and resid 526 and name HD2 ))
(( segid "PAH3" and resid 526 and name HN ))
ASSI { 562}
(( segid "PAH3" and resid 522 and name HA ))
(( segid "PAH3" and resid 523 and name HN ))
3.400 1.400 1.400 peak 562 spectrum 1 weight 0.10000E+01 volume 0.20831E-02 ppm1 7.179 ppm2 3.828 CV 1
ASSI { 563}
(( segid "PAH3" and resid 523 and name HA ))
(( segid "PAH3" and resid 523 and name HN ))
2.800 1.000 1.000 peak 563 spectrum 1 weight 0.10000E+01 volume 0.53369E-02 ppm1 7.179 ppm2 3.696 CV 1
ASSI { 564}
(( segid "PAH3" and resid 522 and name HB1 ))
(( segid "PAH3" and resid 523 and name HN ))
2.700 0.900 0.900 peak 564 spectrum 1 weight 0.10000E+01 volume 0.43744E-02 ppm1 7.180 ppm2 2.510 CV 1
ASSI { 565}
(( segid "PAH3" and resid 522 and name HB2 ))
(( segid "PAH3" and resid 523 and name HN ))
3.900 1.900 1.900 peak 565 spectrum 1 weight 0.10000E+01 volume 0.25284E-02 ppm1 7.184 ppm2 1.930 CV 1
ASSI { 566}
(( segid "PAH3" and resid 523 and name HB1 ))
(( segid "PAH3" and resid 523 and name HN ))
2.900 1.000 1.000 peak 566 spectrum 1 weight 0.10000E+01 volume 0.94096E-02 ppm1 7.180 ppm2 1.571 CV 1
ASSI { 567}
(( segid "PAH3" and resid 523 and name HB2 ))
(( segid "PAH3" and resid 523 and name HN ))
2.300 0.700 0.700 peak 567 spectrum 1 weight 0.10000E+01 volume 0.11636E-01 ppm1 7.180 ppm2 1.337 CV 1
OR { 567}
(( segid "PAH3" and resid 523 and name HG ))
(( segid "PAH3" and resid 523 and name HN ))
ASSI { 568}
( segid "PAH3" and resid 523 and name HD1%)
(( segid "PAH3" and resid 523 and name HN ))
3.900 1.900 1.900 peak 568 spectrum 1 weight 0.10000E+01 volume 0.19969E-02 ppm1 7.175 ppm2 0.484 CV 1
ASSI { 569}
( segid "PAH3" and resid 523 and name HD2%)
(( segid "PAH3" and resid 523 and name HN ))
3.800 1.800 1.800 peak 569 spectrum 1 weight 0.10000E+01 volume 0.24135E-02 ppm1 7.180 ppm2 0.343 CV 1
ASSI { 570}
(( segid "PAH3" and resid 525 and name HN ))
(( segid "PAH3" and resid 524 and name HN ))
2.300 0.700 0.700 peak 570 spectrum 1 weight 0.10000E+01 volume 0.91942E-02 ppm1 7.701 ppm2 8.034 CV 1
ASSI { 572}
(( segid "PAH3" and resid 522 and name HN ))
(( segid "PAH3" and resid 524 and name HN ))
4.300 2.300 1.700 peak 572 spectrum 1 weight 0.10000E+01 volume 0.74703E-03 ppm1 7.700 ppm2 8.383 CV 1
ASSI { 574}
(( segid "PAH3" and resid 525 and name HA ))
(( segid "PAH3" and resid 524 and name HN ))
3.400 1.400 1.400 peak 574 spectrum 1 weight 0.10000E+01 volume 0.43960E-02 ppm1 7.702 ppm2 4.346 CV 1
OR { 574}
(( segid "PAH3" and resid 521 and name HA ))
(( segid "PAH3" and resid 524 and name HN ))
ASSI { 575}
(( segid "PAH3" and resid 524 and name HA1 ))
(( segid "PAH3" and resid 524 and name HN ))
2.600 0.900 0.900 peak 575 spectrum 1 weight 0.10000E+01 volume 0.10703E-01 ppm1 7.702 ppm2 3.872 CV 1
ASSI { 576}
(( segid "PAH3" and resid 524 and name HA2 ))
(( segid "PAH3" and resid 524 and name HN ))
2.200 0.600 0.600 peak 576 spectrum 1 weight 0.10000E+01 volume 0.16233E-01 ppm1 7.702 ppm2 3.656 CV 1
ASSI { 577}
(( segid "PAH3" and resid 525 and name HB2 ))
(( segid "PAH3" and resid 524 and name HN ))
4.200 2.200 1.800 peak 577 spectrum 1 weight 0.10000E+01 volume 0.18460E-02 ppm1 7.702 ppm2 2.533 CV 1
ASSI { 578}
(( segid "PAH3" and resid 523 and name HB1 ))
(( segid "PAH3" and resid 524 and name HN ))
3.200 1.300 1.300 peak 578 spectrum 1 weight 0.10000E+01 volume 0.19753E-02 ppm1 7.704 ppm2 1.562 CV 1
ASSI { 579}
(( segid "PAH3" and resid 523 and name HB2 ))
(( segid "PAH3" and resid 524 and name HN ))
3.100 1.200 1.200 peak 579 spectrum 1 weight 0.10000E+01 volume 0.19825E-02 ppm1 7.696 ppm2 1.312 CV 1
ASSI { 580}
(( segid "PAH3" and resid 524 and name HN ))
(( segid "PAH3" and resid 525 and name HN ))
2.300 0.600 0.600 peak 580 spectrum 1 weight 0.10000E+01 volume 0.10056E-01 ppm1 8.036 ppm2 7.691 CV 1
ASSI { 581}
(( segid "PAH3" and resid 526 and name HN ))
(( segid "PAH3" and resid 525 and name HN ))
3.600 1.600 1.600 peak 581 spectrum 1 weight 0.10000E+01 volume 0.31533E-02 ppm1 8.036 ppm2 7.841 CV 1
ASSI { 583}
(( segid "PAH3" and resid 525 and name HA ))
(( segid "PAH3" and resid 525 and name HN ))
2.500 0.800 0.800 peak 583 spectrum 1 weight 0.10000E+01 volume 0.86914E-02 ppm1 8.035 ppm2 4.324 CV 1
ASSI { 584}
(( segid "PAH3" and resid 524 and name HA1 ))
(( segid "PAH3" and resid 525 and name HN ))
3.400 1.400 1.400 peak 584 spectrum 1 weight 0.10000E+01 volume 0.35340E-02 ppm1 8.034 ppm2 3.881 CV 1
ASSI { 585}
(( segid "PAH3" and resid 524 and name HA2 ))
(( segid "PAH3" and resid 525 and name HN ))
3.000 1.100 1.100 peak 585 spectrum 1 weight 0.10000E+01 volume 0.51861E-02 ppm1 8.036 ppm2 3.693 CV 1
ASSI { 586}
(( segid "PAH3" and resid 520 and name HA ))
(( segid "PAH3" and resid 525 and name HN ))
3.000 1.100 1.100 peak 586 spectrum 1 weight 0.10000E+01 volume 0.36489E-02 ppm1 8.034 ppm2 3.599 CV 1
ASSI { 587}
(( segid "PAH3" and resid 525 and name HB1 ))
(( segid "PAH3" and resid 525 and name HN ))
2.400 0.700 0.700 peak 587 spectrum 1 weight 0.10000E+01 volume 0.12139E-01 ppm1 8.034 ppm2 2.757 CV 1
ASSI { 588}
(( segid "PAH3" and resid 525 and name HB2 ))
(( segid "PAH3" and resid 525 and name HN ))
2.400 0.700 0.700 peak 588 spectrum 1 weight 0.10000E+01 volume 0.98406E-02 ppm1 8.036 ppm2 2.552 CV 1
ASSI { 589}
(( segid "PAH3" and resid 523 and name HB1 ))
(( segid "PAH3" and resid 525 and name HN ))
3.300 1.400 1.400 peak 589 spectrum 1 weight 0.10000E+01 volume 0.27439E-02 ppm1 8.032 ppm2 1.570 CV 1
ASSI { 590}
(( segid "PAH3" and resid 520 and name HB1 ))
(( segid "PAH3" and resid 525 and name HN ))
3.600 1.600 1.600 peak 590 spectrum 1 weight 0.10000E+01 volume 0.10559E-02 ppm1 8.033 ppm2 1.900 CV 1
ASSI { 591}
(( segid "PAH3" and resid 498 and name HG2 ))
(( segid "PAH3" and resid 525 and name HN ))
4.200 2.200 1.800 peak 591 spectrum 1 weight 0.10000E+01 volume 0.91223E-03 ppm1 8.033 ppm2 1.749 CV 1
OR { 591}
(( segid "PAH3" and resid 520 and name HE1 ))
(( segid "PAH3" and resid 525 and name HN ))
ASSI { 592}
(( segid "PAH3" and resid 523 and name HB2 ))
(( segid "PAH3" and resid 525 and name HN ))
3.700 1.700 1.700 peak 592 spectrum 1 weight 0.10000E+01 volume 0.18963E-02 ppm1 8.040 ppm2 1.303 CV 1
ASSI { 593}
( segid "PAH3" and resid 525 and name HD% )
(( segid "PAH3" and resid 526 and name HN ))
3.700 1.700 1.700 peak 593 spectrum 1 weight 0.10000E+01 volume 0.17167E-02 ppm1 7.842 ppm2 6.881 CV 1
ASSI { 594}
(( segid "PAH3" and resid 525 and name HA ))
(( segid "PAH3" and resid 526 and name HN ))
2.100 0.500 0.500 peak 594 spectrum 1 weight 0.10000E+01 volume 0.26002E-01 ppm1 7.844 ppm2 4.321 CV 1
ASSI { 595}
(( segid "PAH3" and resid 526 and name HA ))
(( segid "PAH3" and resid 526 and name HN ))
2.500 0.800 0.800 peak 595 spectrum 1 weight 0.10000E+01 volume 0.10487E-01 ppm1 7.844 ppm2 4.213 CV 1
ASSI { 596}
(( segid "PAH3" and resid 525 and name HB1 ))
(( segid "PAH3" and resid 526 and name HN ))
4.000 2.000 2.000 peak 596 spectrum 1 weight 0.10000E+01 volume 0.14079E-02 ppm1 7.844 ppm2 2.764 CV 1
ASSI { 597}
(( segid "PAH3" and resid 525 and name HB2 ))
(( segid "PAH3" and resid 526 and name HN ))
4.300 2.300 1.700 peak 597 spectrum 1 weight 0.10000E+01 volume 0.17670E-02 ppm1 7.848 ppm2 2.549 CV 1
ASSI { 598}
(( segid "PAH3" and resid 526 and name HB1 ))
(( segid "PAH3" and resid 526 and name HN ))
3.200 1.300 1.300 peak 598 spectrum 1 weight 0.10000E+01 volume 0.44175E-02 ppm1 7.842 ppm2 1.686 CV 1
ASSI { 599}
( segid "PAH3" and resid 466 and name HD1%)
(( segid "PAH3" and resid 466 and name HN ))
3.900 1.900 1.900 peak 599 spectrum 1 weight 0.10000E+01 volume 0.35771E-02 ppm1 7.585 ppm2 0.918 CV 1
OR { 599}
( segid "PAH3" and resid 466 and name HD2%)
(( segid "PAH3" and resid 466 and name HN ))
ASSI { 600}
(( segid "PAH3" and resid 470 and name HB1 ))
(( segid "PAH3" and resid 470 and name HN ))
3.000 1.100 1.100 peak 600 spectrum 1 weight 0.10000E+01 volume 0.10272E-01 ppm1 7.601 ppm2 1.787 CV 1
ASSI { 601}
(( segid "PAH3" and resid 470 and name HG2 ))
(( segid "PAH3" and resid 470 and name HN ))
3.500 1.500 1.500 peak 601 spectrum 1 weight 0.10000E+01 volume 0.42810E-02 ppm1 7.598 ppm2 1.268 CV 1
ASSI { 602}
(( segid "PAH3" and resid 475 and name HA ))
(( segid "PAH3" and resid 475 and name HN ))
2.800 0.900 0.900 peak 602 spectrum 1 weight 0.10000E+01 volume 0.52579E-02 ppm1 7.837 ppm2 4.139 CV 1
ASSI { 603}
( segid "PAH3" and resid 475 and name HD1%)
(( segid "PAH3" and resid 475 and name HN ))
3.000 1.200 1.200 peak 603 spectrum 1 weight 0.10000E+01 volume 0.29235E-02 ppm1 7.833 ppm2 0.988 CV 1
ASSI { 604}
( segid "PAH3" and resid 475 and name HD2%)
(( segid "PAH3" and resid 475 and name HN ))
3.600 1.600 1.600 peak 604 spectrum 1 weight 0.10000E+01 volume 0.29091E-02 ppm1 7.836 ppm2 0.665 CV 1
ASSI { 605}
(( segid "PAH3" and resid 483 and name HB1 ))
(( segid "PAH3" and resid 483 and name HD21))
3.200 1.300 1.300 peak 605 spectrum 1 weight 0.10000E+01 volume 0.17742E-02 ppm1 7.794 ppm2 3.089 CV 1
ASSI { 606}
(( segid "PAH3" and resid 483 and name HD22))
(( segid "PAH3" and resid 483 and name HD21))
2.000 0.500 0.500 peak 606 spectrum 1 weight 0.10000E+01 volume 0.20687E-01 ppm1 7.788 ppm2 7.191 CV 1
ASSI { 607}
(( segid "PAH3" and resid 483 and name HB1 ))
(( segid "PAH3" and resid 483 and name HD22))
4.000 2.000 2.000 peak 607 spectrum 1 weight 0.10000E+01 volume 0.17024E-02 ppm1 7.195 ppm2 3.084 CV 1
ASSI { 612}
(( segid "PAH3" and resid 486 and name HA ))
(( segid "PAH3" and resid 486 and name HN ))
2.900 1.000 1.000 peak 612 spectrum 1 weight 0.10000E+01 volume 0.40799E-02 ppm1 8.137 ppm2 3.500 CV 1
ASSI { 615}
(( segid "PAH3" and resid 493 and name HE22))
(( segid "PAH3" and resid 493 and name HE21))
1.800 0.400 0.400 peak 615 spectrum 1 weight 0.10000E+01 volume 0.34334E-01 ppm1 7.274 ppm2 7.029 CV 1
ASSI { 616}
(( segid "PAH3" and resid 493 and name HG1 ))
(( segid "PAH3" and resid 493 and name HE21))
2.900 1.100 1.100 peak 616 spectrum 1 weight 0.10000E+01 volume 0.28804E-02 ppm1 7.277 ppm2 2.587 CV 1
ASSI { 617}
(( segid "PAH3" and resid 493 and name HG2 ))
(( segid "PAH3" and resid 493 and name HE21))
3.400 1.500 1.500 peak 617 spectrum 1 weight 0.10000E+01 volume 0.18676E-02 ppm1 7.276 ppm2 2.505 CV 1
ASSI { 619}
(( segid "PAH3" and resid 493 and name HG1 ))
(( segid "PAH3" and resid 493 and name HE22))
4.200 2.200 1.800 peak 619 spectrum 1 weight 0.10000E+01 volume 0.15012E-02 ppm1 7.033 ppm2 2.594 CV 1
ASSI { 620}
(( segid "PAH3" and resid 498 and name HG1 ))
(( segid "PAH3" and resid 498 and name HN ))
3.600 1.600 1.600 peak 620 spectrum 1 weight 0.10000E+01 volume 0.33042E-02 ppm1 9.146 ppm2 2.256 CV 1
ASSI { 621}
(( segid "PAH3" and resid 498 and name HB1 ))
(( segid "PAH3" and resid 498 and name HN ))
2.800 1.000 1.000 peak 621 spectrum 1 weight 0.10000E+01 volume 0.40584E-02 ppm1 9.146 ppm2 2.111 CV 1
ASSI { 622}
(( segid "PAH3" and resid 500 and name HB1 ))
(( segid "PAH3" and resid 500 and name HN ))
3.400 1.400 1.400 peak 622 spectrum 1 weight 0.10000E+01 volume 0.54016E-02 ppm1 7.828 ppm2 2.559 CV 1
ASSI { 623}
(( segid "PAH3" and resid 500 and name HB2 ))
(( segid "PAH3" and resid 500 and name HN ))
2.700 0.900 0.900 peak 623 spectrum 1 weight 0.10000E+01 volume 0.43241E-02 ppm1 7.830 ppm2 1.756 CV 1
ASSI { 624}
(( segid "PAH3" and resid 500 and name HG2 ))
(( segid "PAH3" and resid 500 and name HN ))
2.600 0.900 0.900 peak 624 spectrum 1 weight 0.10000E+01 volume 0.56530E-02 ppm1 7.827 ppm2 2.300 CV 1
ASSI { 626}
(( segid "PAH3" and resid 503 and name HE21))
(( segid "PAH3" and resid 503 and name HE22))
1.700 0.300 0.500 peak 626 spectrum 1 weight 0.10000E+01 volume 0.61342E-01 ppm1 6.670 ppm2 7.345 CV 1
ASSI { 627}
(( segid "PAH3" and resid 517 and name HB1 ))
(( segid "PAH3" and resid 517 and name HD21))
3.500 1.500 1.500 peak 627 spectrum 1 weight 0.10000E+01 volume 0.14150E-02 ppm1 7.610 ppm2 3.034 CV 1
ASSI { 628}
(( segid "PAH3" and resid 517 and name HB2 ))
(( segid "PAH3" and resid 517 and name HD21))
3.300 1.300 1.300 peak 628 spectrum 1 weight 0.10000E+01 volume 0.17742E-02 ppm1 7.608 ppm2 2.843 CV 1
ASSI { 629}
(( segid "PAH3" and resid 517 and name HD22))
(( segid "PAH3" and resid 517 and name HD21))
1.900 0.400 0.400 peak 629 spectrum 1 weight 0.10000E+01 volume 0.30599E-01 ppm1 7.611 ppm2 7.013 CV 1
ASSI { 630}
(( segid "PAH3" and resid 517 and name HB1 ))
(( segid "PAH3" and resid 517 and name HD22))
4.100 2.100 1.900 peak 630 spectrum 1 weight 0.10000E+01 volume 0.14797E-02 ppm1 7.013 ppm2 3.031 CV 1
ASSI { 631}
(( segid "PAH3" and resid 517 and name HB2 ))
(( segid "PAH3" and resid 517 and name HD22))
4.600 2.600 1.400 peak 631 spectrum 1 weight 0.10000E+01 volume 0.78294E-03 ppm1 7.019 ppm2 2.855 CV 1
ASSI { 633}
(( segid "PAH3" and resid 518 and name HD1 ))
(( segid "PAH3" and resid 518 and name HE1 ))
2.500 0.800 0.800 peak 633 spectrum 1 weight 0.10000E+01 volume 0.10631E-01 ppm1 9.930 ppm2 7.222 CV 1
ASSI { 634}
(( segid "PAH3" and resid 518 and name HZ2 ))
(( segid "PAH3" and resid 518 and name HE1 ))
2.600 0.800 0.800 peak 634 spectrum 1 weight 0.10000E+01 volume 0.84759E-02 ppm1 9.930 ppm2 7.060 CV 1
ASSI { 635}
(( segid "PAH3" and resid 521 and name HB1 ))
(( segid "PAH3" and resid 521 and name HD21))
3.600 1.700 1.700 peak 635 spectrum 1 weight 0.10000E+01 volume 0.13863E-02 ppm1 7.456 ppm2 2.713 CV 1
ASSI { 636}
(( segid "PAH3" and resid 521 and name HB2 ))
(( segid "PAH3" and resid 521 and name HD21))
3.400 1.400 1.400 peak 636 spectrum 1 weight 0.10000E+01 volume 0.12211E-02 ppm1 7.462 ppm2 2.558 CV 1
ASSI { 637}
(( segid "PAH3" and resid 521 and name HD22))
(( segid "PAH3" and resid 521 and name HD21))
1.800 0.400 0.400 peak 637 spectrum 1 weight 0.10000E+01 volume 0.42810E-01 ppm1 7.459 ppm2 6.816 CV 1
ASSI { 638}
(( segid "PAH3" and resid 521 and name HB1 ))
(( segid "PAH3" and resid 521 and name HD22))
4.500 2.500 1.500 peak 638 spectrum 1 weight 0.10000E+01 volume 0.95533E-03 ppm1 6.814 ppm2 2.710 CV 1
ASSI { 639}
(( segid "PAH3" and resid 521 and name HB2 ))
(( segid "PAH3" and resid 521 and name HD22))
4.500 2.500 1.500 peak 639 spectrum 1 weight 0.10000E+01 volume 0.10056E-02 ppm1 6.823 ppm2 2.558 CV 1
ASSI { 641}
(( segid "PAH3" and resid 525 and name HN ))
(( segid "PAH3" and resid 523 and name HN ))
3.800 1.800 1.800 peak 641 spectrum 1 weight 0.10000E+01 volume 0.19681E-02 ppm1 7.178 ppm2 8.040 CV 1
OR { 641}
(( segid "PAH3" and resid 521 and name HN ))
(( segid "PAH3" and resid 523 and name HN ))
ASSI { 642}
(( segid "PAH3" and resid 523 and name HN ))
(( segid "PAH3" and resid 525 and name HN ))
4.300 2.300 1.700 peak 642 spectrum 1 weight 0.10000E+01 volume 0.16377E-02 ppm1 8.035 ppm2 7.186 CV 1
ASSI { 643}
( segid "PAH3" and resid 525 and name HD% )
(( segid "PAH3" and resid 525 and name HN ))
4.300 2.400 1.700 peak 643 spectrum 1 weight 0.10000E+01 volume 0.13001E-02 ppm1 8.035 ppm2 6.888 CV 1
ASSI { 644}
( segid "PAH3" and resid 504 and name HD2%)
(( segid "PAH3" and resid 487 and name HN ))
3.300 3.300 2.700 peak 644 spectrum 1 weight 0.10000E+01 volume 0.11708E-02 ppm1 7.363 ppm2 0.709 CV 1
OR { 644}
( segid "PAH3" and resid 475 and name HD2%)
(( segid "PAH3" and resid 487 and name HN ))
ASSI { 645}
(( segid "PAH3" and resid 486 and name HB2 ))
(( segid "PAH3" and resid 487 and name HN ))
3.300 1.400 1.400 peak 645 spectrum 1 weight 0.10000E+01 volume 0.27798E-02 ppm1 7.367 ppm2 0.941 CV 1
ASSI { 646}
(( segid "PAH3" and resid 472 and name HB1 ))
(( segid "PAH3" and resid 473 and name HN ))
2.200 0.600 0.600 peak 646 spectrum 1 weight 0.10000E+01 volume 0.16593E-01 ppm1 7.386 ppm2 1.434 CV 1
OR { 646}
(( segid "PAH3" and resid 473 and name HG1 ))
(( segid "PAH3" and resid 473 and name HN ))
ASSI { 647}
(( segid "PAH3" and resid 520 and name HG1 ))
(( segid "PAH3" and resid 520 and name HN ))
2.400 0.700 0.700 peak 647 spectrum 1 weight 0.10000E+01 volume 0.65580E-02 ppm1 8.652 ppm2 1.377 CV 1
ASSI { 648}
(( segid "PAH3" and resid 520 and name HB2 ))
(( segid "PAH3" and resid 520 and name HN ))
2.500 0.800 0.800 peak 648 spectrum 1 weight 0.10000E+01 volume 0.63354E-02 ppm1 8.652 ppm2 1.839 CV 1
ASSI { 649}
(( segid "PAH3" and resid 482 and name HB2 ))
(( segid "PAH3" and resid 483 and name HN ))
2.700 0.900 0.900 peak 649 spectrum 1 weight 0.10000E+01 volume 0.16377E-01 ppm1 7.847 ppm2 1.926 CV 1
OR { 649}
(( segid "PAH3" and resid 482 and name HB2 ))
(( segid "PAH3" and resid 481 and name HN ))
ASSI { 650}
( segid "PAH3" and resid 485 and name HD2%)
(( segid "PAH3" and resid 486 and name HN ))
4.800 2.800 1.200 peak 650 spectrum 1 weight 0.10000E+01 volume 0.66945E-03 ppm1 8.137 ppm2 0.480 CV 1
ASSI { 651}
(( segid "PAH3" and resid 520 and name HD2 ))
(( segid "PAH3" and resid 520 and name HN ))
4.000 2.000 2.000 peak 651 spectrum 1 weight 0.10000E+01 volume 0.20400E-02 ppm1 8.650 ppm2 1.209 CV 1
ASSI { 652}
( segid "PAH3" and resid 502 and name HG2%)
(( segid "PAH3" and resid 520 and name HN ))
4.300 2.300 1.700 peak 652 spectrum 1 weight 0.10000E+01 volume 0.89068E-03 ppm1 8.654 ppm2 0.604 CV 1
OR { 652}
( segid "PAH3" and resid 509 and name HD1%)
(( segid "PAH3" and resid 520 and name HN ))
ASSI { 653}
(( segid "PAH3" and resid 455 and name HD21))
(( segid "PAH3" and resid 455 and name HD22))
2.100 0.600 0.600 peak 653 spectrum 1 weight 0.10000E+01 volume 0.13217E-01 ppm1 6.939 ppm2 7.612 CV 1
ASSI { 656}
(( segid "PAH3" and resid 463 and name HN ))
(( segid "PAH3" and resid 464 and name HN ))
3.400 1.500 1.500 peak 656 spectrum 1 weight 0.10000E+01 volume 0.13791E-02 ppm1 9.818 ppm2 8.224 CV 1
ASSI { 657}
(( segid "PAH3" and resid 466 and name HN ))
(( segid "PAH3" and resid 464 and name HN ))
4.700 2.700 1.300 peak 657 spectrum 1 weight 0.10000E+01 volume 0.33975E-03 ppm1 9.835 ppm2 7.573 CV 1
ASSI { 658}
(( segid "PAH3" and resid 520 and name HA ))
(( segid "PAH3" and resid 523 and name HN ))
3.200 1.300 1.300 peak 658 spectrum 1 weight 0.10000E+01 volume 0.24997E-02 ppm1 7.180 ppm2 3.585 CV 1
ASSI { 659}
(( segid "PAH3" and resid 464 and name HG1 ))
(( segid "PAH3" and resid 465 and name HN ))
5.200 3.400 0.800 peak 659 spectrum 1 weight 0.10000E+01 volume 0.50855E-03 ppm1 8.358 ppm2 2.629 CV 1
ASSI { 660}
(( segid "PAH3" and resid 467 and name HN ))
(( segid "PAH3" and resid 518 and name HE1 ))
3.100 1.200 1.200 peak 660 spectrum 1 weight 0.10000E+01 volume 0.39075E-02 ppm1 9.927 ppm2 7.375 CV 1
ASSI { 661}
(( segid "PAH3" and resid 518 and name HA ))
(( segid "PAH3" and resid 518 and name HE1 ))
4.200 2.200 1.800 peak 661 spectrum 1 weight 0.10000E+01 volume 0.86195E-03 ppm1 9.937 ppm2 4.026 CV 1
ASSI { 662}
(( segid "PAH3" and resid 503 and name HG1 ))
(( segid "PAH3" and resid 503 and name HE22))
4.100 2.100 1.900 peak 662 spectrum 1 weight 0.10000E+01 volume 0.14869E-02 ppm1 6.671 ppm2 2.461 CV 1
OR { 662}
(( segid "PAH3" and resid 503 and name HG2 ))
(( segid "PAH3" and resid 503 and name HE22))
ASSI { 663}
(( segid "PAH3" and resid 503 and name HG1 ))
(( segid "PAH3" and resid 503 and name HE21))
3.500 1.500 1.500 peak 663 spectrum 1 weight 0.10000E+01 volume 0.13791E-02 ppm1 7.348 ppm2 2.468 CV 1
OR { 663}
(( segid "PAH3" and resid 503 and name HG2 ))
(( segid "PAH3" and resid 503 and name HE21))
ASSI { 664}
(( segid "PAH3" and resid 503 and name HB1 ))
(( segid "PAH3" and resid 503 and name HE21))
3.500 1.500 1.500 peak 664 spectrum 1 weight 0.10000E+01 volume 0.12067E-02 ppm1 7.353 ppm2 2.317 CV 1
ASSI { 665}
(( segid "PAH3" and resid 489 and name HA ))
(( segid "PAH3" and resid 490 and name HN ))
3.600 1.600 1.600 peak 665 spectrum 1 weight 0.10000E+01 volume 0.12426E-02 ppm1 7.640 ppm2 3.797 CV 1
ASSI { 666}
(( segid "PAH3" and resid 486 and name HA ))
(( segid "PAH3" and resid 490 and name HN ))
3.900 1.900 1.900 peak 666 spectrum 1 weight 0.10000E+01 volume 0.12426E-02 ppm1 7.635 ppm2 3.522 CV 1
OR { 666}
(( segid "PAH3" and resid 491 and name HB1 ))
(( segid "PAH3" and resid 490 and name HN ))
ASSI { 667}
( segid "PAH3" and resid 490 and name HG2%)
(( segid "PAH3" and resid 491 and name HN ))
4.900 3.100 1.100 peak 667 spectrum 1 weight 0.10000E+01 volume 0.61199E-03 ppm1 7.790 ppm2 1.349 CV 1
ASSI { 668}
( segid "PAH3" and resid 501 and name HD2%)
(( segid "PAH3" and resid 491 and name HN ))
3.500 1.600 1.600 peak 668 spectrum 1 weight 0.10000E+01 volume 0.58038E-03 ppm1 7.793 ppm2 0.561 CV 1
ASSI { 669}
(( segid "PAH3" and resid 523 and name HA ))
(( segid "PAH3" and resid 522 and name HN ))
4.000 2.000 2.000 peak 669 spectrum 1 weight 0.10000E+01 volume 0.16952E-02 ppm1 8.393 ppm2 3.687 CV 1
ASSI { 672}
(( segid "PAH3" and resid 486 and name HD1 ))
(( segid "PAH3" and resid 486 and name HE ))
3.100 1.200 1.200 peak 672 spectrum 1 weight 0.10000E+01 volume 0.23991E-02 ppm1 7.447 ppm2 2.769 CV 1
OR { 672}
(( segid "PAH3" and resid 486 and name HD2 ))
(( segid "PAH3" and resid 486 and name HE ))
ASSI { 674}
(( segid "PAH3" and resid 503 and name HN ))
(( segid "PAH3" and resid 505 and name HN ))
4.200 2.200 1.800 peak 674 spectrum 1 weight 0.10000E+01 volume 0.96251E-03 ppm1 8.153 ppm2 7.533 CV 1
ASSI { 675}
(( segid "PAH3" and resid 505 and name HA ))
(( segid "PAH3" and resid 508 and name HN ))
3.600 1.700 1.700 peak 675 spectrum 1 weight 0.10000E+01 volume 0.16377E-02 ppm1 7.278 ppm2 4.882 CV 1
ASSI { 676}
(( segid "PAH3" and resid 501 and name HA ))
(( segid "PAH3" and resid 505 and name HN ))
4.200 2.300 1.800 peak 676 spectrum 1 weight 0.10000E+01 volume 0.67017E-03 ppm1 8.162 ppm2 4.048 CV 1
ASSI { 677}
( segid "PAH3" and resid 501 and name HD1%)
(( segid "PAH3" and resid 505 and name HN ))
3.500 1.600 1.600 peak 677 spectrum 1 weight 0.10000E+01 volume 0.16593E-02 ppm1 8.155 ppm2 0.892 CV 1
ASSI { 678}
(( segid "PAH3" and resid 494 and name HA ))
(( segid "PAH3" and resid 496 and name HN ))
3.800 1.800 1.800 peak 678 spectrum 1 weight 0.10000E+01 volume 0.11493E-02 ppm1 6.537 ppm2 3.894 CV 1
ASSI { 680}
( segid "PAH3" and resid 475 and name HD1%)
(( segid "PAH3" and resid 484 and name HN ))
3.300 1.300 1.300 peak 680 spectrum 1 weight 0.10000E+01 volume 0.17886E-02 ppm1 7.819 ppm2 1.013 CV 1
OR { 680}
( segid "PAH3" and resid 505 and name HG2%)
(( segid "PAH3" and resid 484 and name HN ))
OR { 680}
( segid "PAH3" and resid 489 and name HG2%)
(( segid "PAH3" and resid 486 and name HH11))
ASSI { 681}
( segid "PAH3" and resid 475 and name HD2%)
(( segid "PAH3" and resid 484 and name HN ))
3.600 1.600 1.600 peak 681 spectrum 1 weight 0.10000E+01 volume 0.16449E-02 ppm1 7.821 ppm2 0.692 CV 1
ASSI { 682}
(( segid "PAH3" and resid 526 and name HG2 ))
(( segid "PAH3" and resid 527 and name HN ))
4.300 2.300 1.700 peak 682 spectrum 1 weight 0.10000E+01 volume 0.98406E-03 ppm1 8.162 ppm2 1.243 CV 1
OR { 682}
(( segid "PAH3" and resid 526 and name HG1 ))
(( segid "PAH3" and resid 527 and name HN ))
ASSI { 683}
(( segid "PAH3" and resid 486 and name HH12))
(( segid "PAH3" and resid 486 and name HH11))
2.500 0.800 0.800 peak 683 spectrum 1 weight 0.10000E+01 volume 0.39147E-02 ppm1 7.818 ppm2 5.979 CV 1
ASSI { 684}
(( segid "PAH3" and resid 526 and name HB2 ))
(( segid "PAH3" and resid 528 and name HN ))
3.600 1.600 1.600 peak 684 spectrum 1 weight 0.10000E+01 volume 0.13935E-02 ppm1 7.830 ppm2 1.566 CV 1
ASSI { 687}
( segid "PAH3" and resid 490 and name HD1%)
(( segid "PAH3" and resid 486 and name HH12))
3.300 3.300 2.700 peak 687 spectrum 1 weight 0.10000E+01 volume 0.81167E-03 ppm1 5.983 ppm2 1.068 CV 1
ASSI { 690}
(( segid "PAH3" and resid 470 and name HB1 ))
(( segid "PAH3" and resid 474 and name HN ))
3.500 1.500 1.500 peak 690 spectrum 1 weight 0.10000E+01 volume 0.20040E-02 ppm1 7.759 ppm2 1.802 CV 1
OR { 690}
(( segid "PAH3" and resid 471 and name HB ))
(( segid "PAH3" and resid 474 and name HN ))
OR { 690}
(( segid "PAH3" and resid 520 and name HB2 ))
(( segid "PAH3" and resid 518 and name HN ))
ASSI { 691}
(( segid "PAH3" and resid 516 and name HA ))
(( segid "PAH3" and resid 518 and name HN ))
3.900 1.900 1.900 peak 691 spectrum 1 weight 0.10000E+01 volume 0.89068E-03 ppm1 7.788 ppm2 4.871 CV 1
ASSI { 692}
(( segid "PAH3" and resid 517 and name HN ))
(( segid "PAH3" and resid 516 and name HN ))
2.600 0.900 0.900 peak 692 spectrum 1 weight 0.10000E+01 volume 0.60265E-02 ppm1 8.977 ppm2 9.104 CV 1
ASSI { 694}
( segid "PAH3" and resid 509 and name HD2%)
(( segid "PAH3" and resid 516 and name HN ))
3.800 1.800 1.800 peak 694 spectrum 1 weight 0.10000E+01 volume 0.90505E-03 ppm1 8.985 ppm2 0.464 CV 1
OR { 694}
( segid "PAH3" and resid 515 and name HD2%)
(( segid "PAH3" and resid 516 and name HN ))
ASSI { 695}
( segid "PAH3" and resid 475 and name HD2%)
(( segid "PAH3" and resid 480 and name HN ))
4.700 2.800 1.300 peak 695 spectrum 1 weight 0.10000E+01 volume 0.10056E-02 ppm1 7.890 ppm2 0.669 CV 1
ASSI { 696}
( segid "PAH3" and resid 515 and name HD1%)
(( segid "PAH3" and resid 471 and name HN ))
4.000 2.000 2.000 peak 696 spectrum 1 weight 0.10000E+01 volume 0.94815E-03 ppm1 7.866 ppm2 0.723 CV 1
ASSI { 698}
(( segid "PAH3" and resid 503 and name HN ))
(( segid "PAH3" and resid 501 and name HN ))
4.000 2.000 2.000 peak 698 spectrum 1 weight 0.10000E+01 volume 0.77576E-03 ppm1 8.595 ppm2 7.554 CV 1
ASSI { 699}
(( segid "PAH3" and resid 500 and name HG1 ))
(( segid "PAH3" and resid 501 and name HN ))
4.100 2.100 1.900 peak 699 spectrum 1 weight 0.10000E+01 volume 0.20112E-02 ppm1 8.594 ppm2 2.444 CV 1
ASSI { 700}
( segid "PAH3" and resid 502 and name HG1%)
(( segid "PAH3" and resid 501 and name HN ))
4.300 2.300 1.700 peak 700 spectrum 1 weight 0.10000E+01 volume 0.10415E-02 ppm1 8.594 ppm2 0.727 CV 1
ASSI { 702}
( segid "PAH3" and resid 519 and name HE% )
(( segid "PAH3" and resid 519 and name HN ))
4.900 3.000 1.100 peak 702 spectrum 1 weight 0.10000E+01 volume 0.70608E-03 ppm1 8.438 ppm2 6.990 CV 1
ASSI { 703}
(( segid "PAH3" and resid 518 and name HE3 ))
(( segid "PAH3" and resid 519 and name HN ))
4.000 2.000 2.000 peak 703 spectrum 1 weight 0.10000E+01 volume 0.63210E-03 ppm1 8.430 ppm2 6.157 CV 1
ASSI { 704}
(( segid "PAH3" and resid 502 and name HN ))
(( segid "PAH3" and resid 504 and name HN ))
4.400 2.400 1.600 peak 704 spectrum 1 weight 0.10000E+01 volume 0.47910E-03 ppm1 8.756 ppm2 7.842 CV 1
ASSI { 705}
( segid "PAH3" and resid 504 and name HD1%)
(( segid "PAH3" and resid 504 and name HN ))
3.900 1.900 1.900 peak 705 spectrum 1 weight 0.10000E+01 volume 0.29019E-02 ppm1 8.768 ppm2 0.837 CV 1
ASSI { 706}
( segid "PAH3" and resid 504 and name HD2%)
(( segid "PAH3" and resid 504 and name HN ))
3.500 1.500 1.500 peak 706 spectrum 1 weight 0.10000E+01 volume 0.42882E-02 ppm1 8.767 ppm2 0.730 CV 1
ASSI { 707}
(( segid "PAH3" and resid 470 and name HN ))
(( segid "PAH3" and resid 472 and name HN ))
3.700 1.700 1.700 peak 707 spectrum 1 weight 0.10000E+01 volume 0.18245E-02 ppm1 7.845 ppm2 7.614 CV 1
OR { 707}
( segid "PAH3" and resid 468 and name HD% )
(( segid "PAH3" and resid 472 and name HN ))
ASSI { 708}
(( segid "PAH3" and resid 471 and name HN ))
(( segid "PAH3" and resid 469 and name HN ))
3.200 1.300 1.300 peak 708 spectrum 1 weight 0.10000E+01 volume 0.33113E-02 ppm1 7.691 ppm2 7.875 CV 1
OR { 708}
(( segid "PAH3" and resid 472 and name HN ))
(( segid "PAH3" and resid 469 and name HN ))
ASSI { 709}
(( segid "PAH3" and resid 468 and name HA ))
(( segid "PAH3" and resid 472 and name HN ))
3.700 1.700 1.700 peak 709 spectrum 1 weight 0.10000E+01 volume 0.16952E-02 ppm1 7.841 ppm2 3.707 CV 1
OR { 709}
(( segid "PAH3" and resid 470 and name HA ))
(( segid "PAH3" and resid 472 and name HN ))
ASSI { 710}
(( segid "PAH3" and resid 468 and name HB1 ))
(( segid "PAH3" and resid 472 and name HN ))
3.800 1.800 1.800 peak 710 spectrum 1 weight 0.10000E+01 volume 0.10559E-02 ppm1 7.844 ppm2 3.606 CV 1
ASSI { 711}
(( segid "PAH3" and resid 484 and name HN ))
(( segid "PAH3" and resid 486 and name HN ))
3.900 1.900 1.900 peak 711 spectrum 1 weight 0.10000E+01 volume 0.81167E-03 ppm1 8.141 ppm2 7.807 CV 1
ASSI { 712}
(( segid "PAH3" and resid 487 and name HG ))
(( segid "PAH3" and resid 486 and name HN ))
4.100 2.100 1.900 peak 712 spectrum 1 weight 0.10000E+01 volume 0.11636E-02 ppm1 8.137 ppm2 3.130 CV 1
OR { 712}
(( segid "PAH3" and resid 483 and name HB1 ))
(( segid "PAH3" and resid 486 and name HN ))
ASSI { 713}
(( segid "PAH3" and resid 486 and name HD2 ))
(( segid "PAH3" and resid 486 and name HN ))
4.000 2.000 2.000 peak 713 spectrum 1 weight 0.10000E+01 volume 0.19107E-02 ppm1 8.146 ppm2 2.775 CV 1
OR { 713}
(( segid "PAH3" and resid 486 and name HD1 ))
(( segid "PAH3" and resid 486 and name HN ))
ASSI { 714}
(( segid "PAH3" and resid 482 and name HG1 ))
(( segid "PAH3" and resid 486 and name HN ))
4.600 2.600 1.400 peak 714 spectrum 1 weight 0.10000E+01 volume 0.64431E-03 ppm1 8.131 ppm2 2.448 CV 1
OR { 714}
(( segid "PAH3" and resid 489 and name HB ))
(( segid "PAH3" and resid 486 and name HN ))
ASSI { 716}
(( segid "PAH3" and resid 510 and name HA1 ))
(( segid "PAH3" and resid 512 and name HN ))
4.500 2.500 1.500 peak 716 spectrum 1 weight 0.10000E+01 volume 0.95533E-03 ppm1 7.794 ppm2 3.783 CV 1
ASSI { 717}
(( segid "PAH3" and resid 512 and name HB2 ))
(( segid "PAH3" and resid 515 and name HN ))
3.800 1.800 1.800 peak 717 spectrum 1 weight 0.10000E+01 volume 0.22123E-02 ppm1 7.712 ppm2 3.084 CV 1
ASSI { 718}
(( segid "PAH3" and resid 511 and name HG1 ))
(( segid "PAH3" and resid 512 and name HN ))
4.300 2.300 1.700 peak 718 spectrum 1 weight 0.10000E+01 volume 0.10559E-02 ppm1 7.797 ppm2 0.966 CV 1
ASSI { 719}
(( segid "PAH3" and resid 511 and name HG2 ))
(( segid "PAH3" and resid 512 and name HN ))
4.400 2.400 1.600 peak 719 spectrum 1 weight 0.10000E+01 volume 0.99843E-03 ppm1 7.791 ppm2 0.846 CV 1
ASSI { 720}
(( segid "PAH3" and resid 485 and name HN ))
(( segid "PAH3" and resid 482 and name HN ))
3.900 1.900 1.900 peak 720 spectrum 1 weight 0.10000E+01 volume 0.77576E-03 ppm1 8.526 ppm2 8.168 CV 1
ASSI { 721}
(( segid "PAH3" and resid 480 and name HA ))
(( segid "PAH3" and resid 482 and name HN ))
4.100 2.100 1.900 peak 721 spectrum 1 weight 0.10000E+01 volume 0.82604E-03 ppm1 8.530 ppm2 4.478 CV 1
OR { 721}
(( segid "PAH3" and resid 483 and name HA ))
(( segid "PAH3" and resid 482 and name HN ))
ASSI { 722}
( segid "PAH3" and resid 480 and name HB% )
(( segid "PAH3" and resid 482 and name HN ))
4.900 3.000 1.100 peak 722 spectrum 1 weight 0.10000E+01 volume 0.48772E-03 ppm1 8.530 ppm2 1.658 CV 1
ASSI { 723}
( segid "PAH3" and resid 475 and name HD2%)
(( segid "PAH3" and resid 482 and name HN ))
4.800 2.900 1.200 peak 723 spectrum 1 weight 0.10000E+01 volume 0.44031E-03 ppm1 8.524 ppm2 0.685 CV 1
ASSI { 724}
(( segid "PAH3" and resid 477 and name HB2 ))
(( segid "PAH3" and resid 479 and name HN ))
4.500 2.500 1.500 peak 724 spectrum 1 weight 0.10000E+01 volume 0.60768E-03 ppm1 8.618 ppm2 3.771 CV 1
ASSI { 725}
(( segid "PAH3" and resid 481 and name HA ))
(( segid "PAH3" and resid 485 and name HN ))
4.300 2.300 1.700 peak 725 spectrum 1 weight 0.10000E+01 volume 0.61630E-03 ppm1 8.181 ppm2 4.113 CV 1
ASSI { 726}
( segid "PAH3" and resid 496 and name HG2%)
(( segid "PAH3" and resid 497 and name HN ))
4.100 2.100 1.900 peak 726 spectrum 1 weight 0.10000E+01 volume 0.18676E-02 ppm1 9.674 ppm2 0.802 CV 1
OR { 726}
(( segid "PAH3" and resid 496 and name HG12))
(( segid "PAH3" and resid 497 and name HN ))
ASSI { 727}
(( segid "PAH3" and resid 500 and name HN ))
(( segid "PAH3" and resid 497 and name HN ))
4.200 2.200 1.800 peak 727 spectrum 1 weight 0.10000E+01 volume 0.84040E-03 ppm1 9.674 ppm2 7.834 CV 1
ASSI { 728}
(( segid "PAH3" and resid 521 and name HD21))
(( segid "PAH3" and resid 521 and name HN ))
5.100 3.200 0.900 peak 728 spectrum 1 weight 0.10000E+01 volume 0.38213E-03 ppm1 8.058 ppm2 7.460 CV 1
ASSI { 729}
(( segid "PAH3" and resid 523 and name HN ))
(( segid "PAH3" and resid 521 and name HN ))
4.800 2.900 1.200 peak 729 spectrum 1 weight 0.10000E+01 volume 0.31030E-03 ppm1 8.066 ppm2 7.174 CV 1
ASSI { 730}
( segid "PAH3" and resid 481 and name HD% )
(( segid "PAH3" and resid 481 and name HN ))
3.800 1.800 1.800 peak 730 spectrum 1 weight 0.10000E+01 volume 0.27223E-02 ppm1 7.837 ppm2 6.923 CV 1
ASSI { 731}
(( segid "PAH3" and resid 500 and name HB1 ))
(( segid "PAH3" and resid 502 and name HN ))
3.900 1.900 1.900 peak 731 spectrum 1 weight 0.10000E+01 volume 0.11421E-02 ppm1 7.827 ppm2 2.544 CV 1
ASSI { 733}
( segid "PAH3" and resid 495 and name HG1%)
(( segid "PAH3" and resid 495 and name HN ))
3.100 1.200 1.200 peak 733 spectrum 1 weight 0.10000E+01 volume 0.76857E-02 ppm1 7.825 ppm2 0.938 CV 1
OR { 733}
( segid "PAH3" and resid 501 and name HD1%)
(( segid "PAH3" and resid 502 and name HN ))
ASSI { 734}
( segid "PAH3" and resid 490 and name HD1%)
(( segid "PAH3" and resid 495 and name HN ))
3.400 1.400 1.400 peak 734 spectrum 1 weight 0.10000E+01 volume 0.26218E-02 ppm1 7.831 ppm2 1.068 CV 1
OR { 734}
( segid "PAH3" and resid 505 and name HG1%)
(( segid "PAH3" and resid 502 and name HN ))
ASSI { 735}
( segid "PAH3" and resid 525 and name HE% )
(( segid "PAH3" and resid 502 and name HN ))
3.000 3.000 3.000 peak 735 spectrum 1 weight 0.10000E+01 volume 0.14653E-02 ppm1 7.840 ppm2 6.759 CV 1
ASSI { 736}
( segid "PAH3" and resid 519 and name HE% )
(( segid "PAH3" and resid 502 and name HN ))
2.900 2.900 3.100 peak 736 spectrum 1 weight 0.10000E+01 volume 0.17095E-02 ppm1 7.837 ppm2 7.026 CV 1
ASSI { 737}
(( segid "PAH3" and resid 483 and name HD22))
(( segid "PAH3" and resid 483 and name HN ))
3.800 1.800 1.800 peak 737 spectrum 1 weight 0.10000E+01 volume 0.17455E-02 ppm1 7.845 ppm2 7.174 CV 1
ASSI { 738}
(( segid "PAH3" and resid 469 and name HA ))
(( segid "PAH3" and resid 473 and name HN ))
4.200 2.200 1.800 peak 738 spectrum 1 weight 0.10000E+01 volume 0.63425E-03 ppm1 7.382 ppm2 4.276 CV 1
ASSI { 739}
( segid "PAH3" and resid 519 and name HD% )
(( segid "PAH3" and resid 520 and name HN ))
4.600 2.600 1.400 peak 739 spectrum 1 weight 0.10000E+01 volume 0.75421E-03 ppm1 8.659 ppm2 7.307 CV 1
ASSI { 740}
(( segid "PAH3" and resid 518 and name HA ))
(( segid "PAH3" and resid 520 and name HN ))
4.500 2.500 1.500 peak 740 spectrum 1 weight 0.10000E+01 volume 0.46114E-03 ppm1 8.648 ppm2 4.010 CV 1
ASSI { 743}
(( segid "PAH3" and resid 488 and name HB2 ))
(( segid "PAH3" and resid 488 and name HN ))
2.400 0.700 0.700 peak 743 spectrum 1 weight 0.10000E+01 volume 0.87632E-02 ppm1 6.950 ppm2 1.017 CV 1
OR { 743}
( segid "PAH3" and resid 489 and name HG2%)
(( segid "PAH3" and resid 488 and name HN ))
ASSI { 744}
(( segid "PAH3" and resid 517 and name HD21))
(( segid "PAH3" and resid 517 and name HN ))
4.100 2.100 1.900 peak 744 spectrum 1 weight 0.10000E+01 volume 0.99843E-03 ppm1 9.084 ppm2 7.598 CV 1
ASSI { 745}
( segid "PAH3" and resid 467 and name HE% )
(( segid "PAH3" and resid 468 and name HN ))
4.900 3.000 1.100 peak 745 spectrum 1 weight 0.10000E+01 volume 0.47479E-03 ppm1 7.472 ppm2 7.158 CV 1
ASSI { 747}
(( segid "PAH3" and resid 465 and name HA ))
(( segid "PAH3" and resid 468 and name HN ))
3.500 1.600 1.600 peak 747 spectrum 1 weight 0.10000E+01 volume 0.17383E-02 ppm1 7.464 ppm2 4.319 CV 1
ASSI { 748}
(( segid "PAH3" and resid 466 and name HB1 ))
(( segid "PAH3" and resid 468 and name HN ))
4.300 2.300 1.700 peak 748 spectrum 1 weight 0.10000E+01 volume 0.13504E-02 ppm1 7.471 ppm2 1.755 CV 1
OR { 748}
(( segid "PAH3" and resid 471 and name HB ))
(( segid "PAH3" and resid 468 and name HN ))
ASSI { 750}
( segid "PAH3" and resid 490 and name HG2%)
(( segid "PAH3" and resid 493 and name HN ))
4.700 2.700 1.300 peak 750 spectrum 1 weight 0.10000E+01 volume 0.76857E-03 ppm1 7.655 ppm2 1.361 CV 1
ASSI { 751}
( segid "PAH3" and resid 495 and name HG2%)
(( segid "PAH3" and resid 493 and name HN ))
4.600 2.600 1.400 peak 751 spectrum 1 weight 0.10000E+01 volume 0.65221E-03 ppm1 7.647 ppm2 0.287 CV 1
ASSI { 752}
(( segid "PAH3" and resid 474 and name HA ))
(( segid "PAH3" and resid 475 and name HN ))
3.600 1.600 1.600 peak 752 spectrum 1 weight 0.10000E+01 volume 0.20974E-02 ppm1 7.840 ppm2 3.704 CV 1
ASSI { 753}
(( segid "PAH3" and resid 471 and name HA ))
(( segid "PAH3" and resid 475 and name HN ))
3.600 1.700 1.700 peak 753 spectrum 1 weight 0.10000E+01 volume 0.10200E-02 ppm1 7.838 ppm2 2.886 CV 1
ASSI { 754}
( segid "PAH3" and resid 471 and name HG1%)
(( segid "PAH3" and resid 475 and name HN ))
3.700 1.800 1.800 peak 754 spectrum 1 weight 0.10000E+01 volume 0.14438E-02 ppm1 7.839 ppm2 0.187 CV 1
ASSI { 755}
(( segid "PAH3" and resid 481 and name HB2 ))
(( segid "PAH3" and resid 477 and name HN ))
3.600 1.700 1.700 peak 755 spectrum 1 weight 0.10000E+01 volume 0.43098E-03 ppm1 8.378 ppm2 2.976 CV 1
ASSI { 756}
(( segid "PAH3" and resid 483 and name HA ))
(( segid "PAH3" and resid 483 and name HD22))
4.200 2.200 1.800 peak 756 spectrum 1 weight 0.10000E+01 volume 0.11636E-02 ppm1 7.196 ppm2 4.506 CV 1
OR { 756}
(( segid "PAH3" and resid 480 and name HA ))
(( segid "PAH3" and resid 483 and name HD22))
ASSI { 757}
(( segid "PAH3" and resid 483 and name HB2 ))
(( segid "PAH3" and resid 483 and name HD22))
4.900 3.000 1.100 peak 757 spectrum 1 weight 0.10000E+01 volume 0.51214E-03 ppm1 7.191 ppm2 2.758 CV 1
ASSI { 758}
(( segid "PAH3" and resid 483 and name HB2 ))
(( segid "PAH3" and resid 483 and name HD21))
4.100 2.100 1.900 peak 758 spectrum 1 weight 0.10000E+01 volume 0.52148E-03 ppm1 7.778 ppm2 2.750 CV 1
ASSI { 759}
(( segid "PAH3" and resid 504 and name HB2 ))
(( segid "PAH3" and resid 483 and name HD22))
4.800 2.900 1.200 peak 759 spectrum 1 weight 0.10000E+01 volume 0.40224E-03 ppm1 7.188 ppm2 1.701 CV 1
OR { 759}
(( segid "PAH3" and resid 475 and name HB1 ))
(( segid "PAH3" and resid 483 and name HD22))
ASSI { 760}
( segid "PAH3" and resid 480 and name HB% )
(( segid "PAH3" and resid 483 and name HD21))
4.800 2.900 1.200 peak 760 spectrum 1 weight 0.10000E+01 volume 0.45468E-03 ppm1 7.784 ppm2 1.688 CV 1
ASSI { 761}
(( segid "PAH3" and resid 496 and name HN ))
(( segid "PAH3" and resid 494 and name HN ))
4.400 2.400 1.600 peak 761 spectrum 1 weight 0.10000E+01 volume 0.81885E-03 ppm1 8.036 ppm2 6.532 CV 1
ASSI { 762}
(( segid "PAH3" and resid 493 and name HB2 ))
(( segid "PAH3" and resid 494 and name HN ))
4.800 2.900 1.200 peak 762 spectrum 1 weight 0.10000E+01 volume 0.29594E-03 ppm1 8.031 ppm2 1.503 CV 1
ASSI { 763}
( segid "PAH3" and resid 475 and name HD1%)
(( segid "PAH3" and resid 476 and name HN ))
4.500 2.500 1.500 peak 763 spectrum 1 weight 0.10000E+01 volume 0.94815E-03 ppm1 7.387 ppm2 0.975 CV 1
ASSI { 764}
( segid "PAH3" and resid 474 and name HB% )
(( segid "PAH3" and resid 476 and name HN ))
4.600 2.700 1.400 peak 764 spectrum 1 weight 0.10000E+01 volume 0.87632E-03 ppm1 7.379 ppm2 0.307 CV 1
ASSI { 765}
(( segid "PAH3" and resid 521 and name HA ))
(( segid "PAH3" and resid 521 and name HD21))
4.000 2.000 2.000 peak 765 spectrum 1 weight 0.10000E+01 volume 0.66083E-03 ppm1 7.460 ppm2 4.332 CV 1
ASSI { 766}
(( segid "PAH3" and resid 493 and name HG2 ))
(( segid "PAH3" and resid 493 and name HE22))
4.100 2.100 1.900 peak 766 spectrum 1 weight 0.10000E+01 volume 0.17167E-02 ppm1 7.029 ppm2 2.505 CV 1
ASSI { 767}
( segid "PAH3" and resid 489 and name HG2%)
(( segid "PAH3" and resid 493 and name HE22))
3.400 1.500 1.500 peak 767 spectrum 1 weight 0.10000E+01 volume 0.30456E-02 ppm1 7.029 ppm2 1.014 CV 1
ASSI { 768}
( segid "PAH3" and resid 505 and name HG2%)
(( segid "PAH3" and resid 508 and name HN ))
2.500 0.800 0.800 peak 768 spectrum 1 weight 0.10000E+01 volume 0.11708E-01 ppm1 7.278 ppm2 1.040 CV 1
OR { 768}
(( segid "PAH3" and resid 507 and name HB2 ))
(( segid "PAH3" and resid 508 and name HN ))
ASSI { 769}
(( segid "PAH3" and resid 508 and name HB1 ))
(( segid "PAH3" and resid 508 and name HN ))
3.300 1.400 1.400 peak 769 spectrum 1 weight 0.10000E+01 volume 0.51645E-02 ppm1 7.315 ppm2 3.138 CV 1
OR { 769}
(( segid "PAH3" and resid 508 and name HB1 ))
(( segid "PAH3" and resid 509 and name HN ))
ASSI { 770}
(( segid "PAH3" and resid 520 and name HD1 ))
(( segid "PAH3" and resid 520 and name HN ))
3.700 1.800 1.800 peak 770 spectrum 1 weight 0.10000E+01 volume 0.28875E-02 ppm1 8.652 ppm2 1.292 CV 1
ASSI { 771}
(( segid "PAH3" and resid 520 and name HB1 ))
(( segid "PAH3" and resid 520 and name HN ))
3.300 1.400 1.400 peak 771 spectrum 1 weight 0.10000E+01 volume 0.62851E-02 ppm1 8.652 ppm2 1.922 CV 1
ASSI { 772}
(( segid "PAH3" and resid 520 and name HB2 ))
(( segid "PAH3" and resid 521 and name HN ))
2.600 0.800 0.800 peak 772 spectrum 1 weight 0.10000E+01 volume 0.62132E-02 ppm1 8.064 ppm2 1.842 CV 1
ASSI { 773}
(( segid "PAH3" and resid 520 and name HG2 ))
(( segid "PAH3" and resid 521 and name HN ))
5.200 3.400 0.800 peak 773 spectrum 1 weight 0.10000E+01 volume 0.50999E-03 ppm1 8.064 ppm2 0.937 CV 1
ASSI { 774}
(( segid "PAH3" and resid 470 and name HE1 ))
(( segid "PAH3" and resid 470 and name HN ))
3.400 1.500 1.500 peak 774 spectrum 1 weight 0.10000E+01 volume 0.25212E-02 ppm1 7.597 ppm2 2.807 CV 1
ASSI { 775}
(( segid "PAH3" and resid 470 and name HD2 ))
(( segid "PAH3" and resid 470 and name HN ))
3.300 1.400 1.400 peak 775 spectrum 1 weight 0.10000E+01 volume 0.46617E-02 ppm1 7.599 ppm2 1.422 CV 1
ASSI { 1}
(( segid "PAH3" and resid 508 and name HZ ))
(( segid "PAH3" and resid 483 and name HB1 ))
3.400 1.500 1.500 peak 1 spectrum 1 weight 0.10000E+01 volume 0.15102E-02 ppm1 7.154 ppm2 3.105 CV 1
OR { 1}
( segid "PAH3" and resid 491 and name HE% )
(( segid "PAH3" and resid 491 and name HB2 ))
ASSI { 2}
(( segid "PAH3" and resid 508 and name HZ ))
(( segid "PAH3" and resid 483 and name HB2 ))
3.900 1.900 1.900 peak 2 spectrum 1 weight 0.10000E+01 volume 0.84360E-03 ppm1 7.155 ppm2 2.748 CV 1
ASSI { 3}
( segid "PAH3" and resid 519 and name HE% )
( segid "PAH3" and resid 488 and name HD2%)
3.300 1.300 1.300 peak 3 spectrum 1 weight 0.10000E+01 volume 0.19173E-02 ppm1 7.014 ppm2 0.042 CV 1
ASSI { 4}
( segid "PAH3" and resid 519 and name HE% )
( segid "PAH3" and resid 501 and name HD2%)
3.300 1.400 1.400 peak 4 spectrum 1 weight 0.10000E+01 volume 0.30971E-02 ppm1 7.015 ppm2 0.544 CV 1
ASSI { 5}
( segid "PAH3" and resid 467 and name HE% )
( segid "PAH3" and resid 509 and name HD2%)
3.300 1.400 1.400 peak 5 spectrum 1 weight 0.10000E+01 volume 0.30381E-02 ppm1 7.137 ppm2 0.484 CV 1
OR { 5}
( segid "PAH3" and resid 491 and name HE% )
( segid "PAH3" and resid 523 and name HD1%)
ASSI { 6}
( segid "PAH3" and resid 467 and name HE% )
( segid "PAH3" and resid 471 and name HG2%)
3.300 1.400 1.400 peak 6 spectrum 1 weight 0.10000E+01 volume 0.14099E-02 ppm1 7.159 ppm2 -0.025 CV 1
ASSI { 7}
( segid "PAH3" and resid 467 and name HE% )
( segid "PAH3" and resid 515 and name HD1%)
3.300 1.400 1.400 peak 7 spectrum 1 weight 0.10000E+01 volume 0.30912E-02 ppm1 7.160 ppm2 0.715 CV 1
ASSI { 8}
( segid "PAH3" and resid 468 and name HD% )
(( segid "PAH3" and resid 465 and name HA ))
2.700 0.900 0.900 peak 8 spectrum 1 weight 0.10000E+01 volume 0.50675E-02 ppm1 7.584 ppm2 4.313 CV 1
ASSI { 9}
( segid "PAH3" and resid 468 and name HD% )
(( segid "PAH3" and resid 468 and name HA ))
2.400 0.700 0.700 peak 9 spectrum 1 weight 0.10000E+01 volume 0.76691E-02 ppm1 7.584 ppm2 3.692 CV 1
ASSI { 10}
( segid "PAH3" and resid 468 and name HD% )
(( segid "PAH3" and resid 468 and name HB1 ))
3.000 1.100 1.100 peak 10 spectrum 1 weight 0.10000E+01 volume 0.39643E-02 ppm1 7.584 ppm2 3.592 CV 1
ASSI { 11}
( segid "PAH3" and resid 468 and name HD% )
(( segid "PAH3" and resid 468 and name HB2 ))
2.700 0.900 0.900 peak 11 spectrum 1 weight 0.10000E+01 volume 0.37401E-02 ppm1 7.584 ppm2 2.976 CV 1
ASSI { 12}
( segid "PAH3" and resid 468 and name HD% )
( segid "PAH3" and resid 488 and name HD1%)
4.000 2.000 2.000 peak 12 spectrum 1 weight 0.10000E+01 volume 0.93209E-03 ppm1 7.585 ppm2 0.204 CV 1
OR { 12}
( segid "PAH3" and resid 468 and name HD% )
( segid "PAH3" and resid 471 and name HG1%)
ASSI { 13}
( segid "PAH3" and resid 468 and name HD% )
( segid "PAH3" and resid 471 and name HG2%)
4.600 2.600 1.400 peak 13 spectrum 1 weight 0.10000E+01 volume 0.36163E-03 ppm1 7.586 ppm2 -0.023 CV 1
ASSI { 16}
( segid "PAH3" and resid 468 and name HD% )
( segid "PAH3" and resid 484 and name HE% )
2.600 0.800 0.800 peak 16 spectrum 1 weight 0.10000E+01 volume 0.57223E-02 ppm1 7.584 ppm2 6.949 CV 1
ASSI { 17}
( segid "PAH3" and resid 468 and name HE% )
( segid "PAH3" and resid 488 and name HD1%)
3.000 1.100 1.100 peak 17 spectrum 1 weight 0.10000E+01 volume 0.22004E-02 ppm1 7.436 ppm2 0.232 CV 1
ASSI { 18}
( segid "PAH3" and resid 481 and name HD% )
( segid "PAH3" and resid 471 and name HG1%)
2.700 0.900 0.900 peak 18 spectrum 1 weight 0.10000E+01 volume 0.41236E-02 ppm1 6.923 ppm2 0.197 CV 1
ASSI { 19}
( segid "PAH3" and resid 481 and name HD% )
(( segid "PAH3" and resid 471 and name HA ))
3.800 1.800 1.800 peak 19 spectrum 1 weight 0.10000E+01 volume 0.18819E-02 ppm1 6.923 ppm2 2.869 CV 1
OR { 19}
( segid "PAH3" and resid 481 and name HD% )
(( segid "PAH3" and resid 472 and name HD2 ))
OR { 19}
( segid "PAH3" and resid 481 and name HD% )
(( segid "PAH3" and resid 472 and name HD1 ))
ASSI { 20}
( segid "PAH3" and resid 481 and name HD% )
( segid "PAH3" and resid 475 and name HD2%)
2.800 1.000 1.000 peak 20 spectrum 1 weight 0.10000E+01 volume 0.61942E-02 ppm1 6.924 ppm2 0.678 CV 1
ASSI { 21}
( segid "PAH3" and resid 481 and name HD% )
(( segid "PAH3" and resid 481 and name HA ))
2.500 0.800 0.800 peak 21 spectrum 1 weight 0.10000E+01 volume 0.84950E-02 ppm1 6.921 ppm2 4.124 CV 1
ASSI { 22}
( segid "PAH3" and resid 481 and name HD% )
(( segid "PAH3" and resid 481 and name HB1 ))
2.600 0.800 0.800 peak 22 spectrum 1 weight 0.10000E+01 volume 0.57341E-02 ppm1 6.925 ppm2 3.156 CV 1
ASSI { 23}
( segid "PAH3" and resid 481 and name HD% )
(( segid "PAH3" and resid 481 and name HB2 ))
2.900 1.000 1.000 peak 23 spectrum 1 weight 0.10000E+01 volume 0.46840E-02 ppm1 6.924 ppm2 2.997 CV 1
ASSI { 24}
( segid "PAH3" and resid 481 and name HD% )
( segid "PAH3" and resid 481 and name HE% )
2.000 0.500 0.500 peak 24 spectrum 1 weight 0.10000E+01 volume 0.25367E-01 ppm1 6.930 ppm2 6.707 CV 1
ASSI { 25}
( segid "PAH3" and resid 484 and name HE% )
( segid "PAH3" and resid 485 and name HD2%)
3.400 1.500 1.500 peak 25 spectrum 1 weight 0.10000E+01 volume 0.19940E-02 ppm1 6.924 ppm2 0.469 CV 1
OR { 25}
( segid "PAH3" and resid 481 and name HD% )
( segid "PAH3" and resid 485 and name HD2%)
OR { 25}
(( segid "PAH3" and resid 467 and name HZ ))
( segid "PAH3" and resid 509 and name HD2%)
OR { 25}
(( segid "PAH3" and resid 467 and name HZ ))
( segid "PAH3" and resid 515 and name HD2%)
ASSI { 26}
( segid "PAH3" and resid 481 and name HE% )
( segid "PAH3" and resid 471 and name HG1%)
3.200 1.300 1.300 peak 26 spectrum 1 weight 0.10000E+01 volume 0.37401E-02 ppm1 6.709 ppm2 0.198 CV 1
ASSI { 27}
( segid "PAH3" and resid 481 and name HE% )
(( segid "PAH3" and resid 472 and name HB2 ))
3.400 1.400 1.400 peak 27 spectrum 1 weight 0.10000E+01 volume 0.11445E-02 ppm1 6.708 ppm2 1.003 CV 1
ASSI { 28}
( segid "PAH3" and resid 481 and name HE% )
(( segid "PAH3" and resid 471 and name HA ))
3.200 1.300 1.300 peak 28 spectrum 1 weight 0.10000E+01 volume 0.30558E-02 ppm1 6.709 ppm2 2.869 CV 1
OR { 28}
( segid "PAH3" and resid 481 and name HE% )
(( segid "PAH3" and resid 472 and name HD2 ))
OR { 28}
( segid "PAH3" and resid 481 and name HE% )
(( segid "PAH3" and resid 472 and name HD1 ))
ASSI { 29}
( segid "PAH3" and resid 481 and name HE% )
( segid "PAH3" and resid 475 and name HD2%)
4.100 2.100 1.900 peak 29 spectrum 1 weight 0.10000E+01 volume 0.14512E-02 ppm1 6.709 ppm2 0.677 CV 1
ASSI { 30}
( segid "PAH3" and resid 481 and name HE% )
(( segid "PAH3" and resid 481 and name HA ))
4.100 2.100 1.900 peak 30 spectrum 1 weight 0.10000E+01 volume 0.16105E-02 ppm1 6.708 ppm2 4.127 CV 1
ASSI { 31}
( segid "PAH3" and resid 481 and name HE% )
( segid "PAH3" and resid 485 and name HD1%)
3.000 1.200 1.200 peak 31 spectrum 1 weight 0.10000E+01 volume 0.25662E-02 ppm1 6.709 ppm2 0.540 CV 1
ASSI { 32}
( segid "PAH3" and resid 481 and name HE% )
( segid "PAH3" and resid 485 and name HD2%)
2.600 0.900 0.900 peak 32 spectrum 1 weight 0.10000E+01 volume 0.64302E-02 ppm1 6.710 ppm2 0.465 CV 1
ASSI { 33}
( segid "PAH3" and resid 484 and name HD% )
(( segid "PAH3" and resid 484 and name HA ))
2.800 1.000 1.000 peak 33 spectrum 1 weight 0.10000E+01 volume 0.40292E-02 ppm1 6.832 ppm2 3.630 CV 1
ASSI { 34}
( segid "PAH3" and resid 484 and name HD% )
( segid "PAH3" and resid 471 and name HG1%)
3.500 1.500 1.500 peak 34 spectrum 1 weight 0.10000E+01 volume 0.10383E-02 ppm1 6.832 ppm2 0.200 CV 1
ASSI { 35}
( segid "PAH3" and resid 484 and name HD% )
(( segid "PAH3" and resid 484 and name HB1 ))
2.800 1.000 1.000 peak 35 spectrum 1 weight 0.10000E+01 volume 0.32269E-02 ppm1 6.834 ppm2 3.172 CV 1
ASSI { 36}
( segid "PAH3" and resid 484 and name HD% )
(( segid "PAH3" and resid 484 and name HB2 ))
3.400 1.500 1.500 peak 36 spectrum 1 weight 0.10000E+01 volume 0.14925E-02 ppm1 6.833 ppm2 2.239 CV 1
ASSI { 37}
( segid "PAH3" and resid 484 and name HD% )
( segid "PAH3" and resid 485 and name HD1%)
3.900 1.900 1.900 peak 37 spectrum 1 weight 0.10000E+01 volume 0.23892E-02 ppm1 6.833 ppm2 0.541 CV 1
ASSI { 38}
( segid "PAH3" and resid 484 and name HD% )
(( segid "PAH3" and resid 505 and name HA ))
4.400 2.400 1.600 peak 38 spectrum 1 weight 0.10000E+01 volume 0.58934E-03 ppm1 6.832 ppm2 4.887 CV 1
ASSI { 39}
( segid "PAH3" and resid 484 and name HD% )
(( segid "PAH3" and resid 505 and name HB ))
3.400 1.400 1.400 peak 39 spectrum 1 weight 0.10000E+01 volume 0.13863E-02 ppm1 6.833 ppm2 2.562 CV 1
ASSI { 40}
( segid "PAH3" and resid 484 and name HD% )
( segid "PAH3" and resid 505 and name HG1%)
3.600 1.600 1.600 peak 40 spectrum 1 weight 0.10000E+01 volume 0.14689E-02 ppm1 6.834 ppm2 1.095 CV 1
OR { 40}
( segid "PAH3" and resid 484 and name HD% )
(( segid "PAH3" and resid 488 and name HG ))
ASSI { 41}
( segid "PAH3" and resid 484 and name HD% )
( segid "PAH3" and resid 505 and name HG2%)
2.900 1.000 1.000 peak 41 spectrum 1 weight 0.10000E+01 volume 0.33803E-02 ppm1 6.833 ppm2 1.037 CV 1
ASSI { 43}
( segid "PAH3" and resid 484 and name HE% )
( segid "PAH3" and resid 471 and name HG2%)
3.500 1.500 1.500 peak 43 spectrum 1 weight 0.10000E+01 volume 0.14276E-02 ppm1 6.946 ppm2 -0.023 CV 1
OR { 43}
( segid "PAH3" and resid 481 and name HD% )
( segid "PAH3" and resid 471 and name HG2%)
OR { 43}
(( segid "PAH3" and resid 467 and name HZ ))
( segid "PAH3" and resid 471 and name HG2%)
ASSI { 44}
( segid "PAH3" and resid 481 and name HD% )
( segid "PAH3" and resid 485 and name HD1%)
3.400 1.400 1.400 peak 44 spectrum 1 weight 0.10000E+01 volume 0.20706E-02 ppm1 6.947 ppm2 0.541 CV 1
OR { 44}
( segid "PAH3" and resid 484 and name HE% )
( segid "PAH3" and resid 501 and name HD2%)
ASSI { 45}
( segid "PAH3" and resid 481 and name HD% )
( segid "PAH3" and resid 471 and name HG1%)
2.700 0.900 0.900 peak 45 spectrum 1 weight 0.10000E+01 volume 0.43065E-02 ppm1 6.948 ppm2 0.228 CV 1
OR { 45}
( segid "PAH3" and resid 484 and name HE% )
( segid "PAH3" and resid 488 and name HD1%)
ASSI { 46}
( segid "PAH3" and resid 484 and name HE% )
( segid "PAH3" and resid 488 and name HD2%)
3.500 1.500 1.500 peak 46 spectrum 1 weight 0.10000E+01 volume 0.14276E-02 ppm1 6.948 ppm2 0.037 CV 1
ASSI { 47}
(( segid "PAH3" and resid 467 and name HZ ))
(( segid "PAH3" and resid 516 and name HA ))
4.300 2.300 1.700 peak 47 spectrum 1 weight 0.10000E+01 volume 0.73151E-03 ppm1 6.943 ppm2 4.886 CV 1
OR { 47}
( segid "PAH3" and resid 484 and name HE% )
(( segid "PAH3" and resid 505 and name HA ))
ASSI { 48}
( segid "PAH3" and resid 484 and name HE% )
(( segid "PAH3" and resid 505 and name HB ))
3.600 1.600 1.600 peak 48 spectrum 1 weight 0.10000E+01 volume 0.13391E-02 ppm1 6.947 ppm2 2.563 CV 1
ASSI { 49}
( segid "PAH3" and resid 484 and name HE% )
( segid "PAH3" and resid 505 and name HG1%)
3.000 1.200 1.200 peak 49 spectrum 1 weight 0.10000E+01 volume 0.31443E-02 ppm1 6.948 ppm2 1.096 CV 1
OR { 49}
( segid "PAH3" and resid 484 and name HE% )
(( segid "PAH3" and resid 488 and name HG ))
ASSI { 50}
( segid "PAH3" and resid 484 and name HE% )
( segid "PAH3" and resid 505 and name HG2%)
3.000 1.200 1.200 peak 50 spectrum 1 weight 0.10000E+01 volume 0.33213E-02 ppm1 6.948 ppm2 1.036 CV 1
ASSI { 51}
(( segid "PAH3" and resid 467 and name HZ ))
( segid "PAH3" and resid 509 and name HD1%)
2.700 0.900 0.900 peak 51 spectrum 1 weight 0.10000E+01 volume 0.61942E-02 ppm1 6.947 ppm2 0.617 CV 1
OR { 51}
( segid "PAH3" and resid 484 and name HE% )
( segid "PAH3" and resid 509 and name HD1%)
ASSI { 52}
( segid "PAH3" and resid 484 and name HE% )
( segid "PAH3" and resid 485 and name HD2%)
3.100 1.200 1.200 peak 52 spectrum 1 weight 0.10000E+01 volume 0.34157E-02 ppm1 6.945 ppm2 0.478 CV 1
OR { 52}
( segid "PAH3" and resid 481 and name HD% )
( segid "PAH3" and resid 485 and name HD2%)
OR { 52}
(( segid "PAH3" and resid 467 and name HZ ))
( segid "PAH3" and resid 509 and name HD2%)
OR { 52}
(( segid "PAH3" and resid 467 and name HZ ))
( segid "PAH3" and resid 515 and name HD2%)
ASSI { 53}
( segid "PAH3" and resid 512 and name HD% )
(( segid "PAH3" and resid 511 and name HB2 ))
3.100 1.200 1.200 peak 53 spectrum 1 weight 0.10000E+01 volume 0.26665E-02 ppm1 7.222 ppm2 1.092 CV 1
OR { 53}
( segid "PAH3" and resid 508 and name HD% )
(( segid "PAH3" and resid 507 and name HB2 ))
OR { 53}
( segid "PAH3" and resid 508 and name HD% )
( segid "PAH3" and resid 505 and name HG1%)
ASSI { 54}
( segid "PAH3" and resid 508 and name HD% )
( segid "PAH3" and resid 475 and name HD1%)
2.700 0.900 0.900 peak 54 spectrum 1 weight 0.10000E+01 volume 0.78460E-02 ppm1 7.221 ppm2 0.991 CV 1
ASSI { 55}
( segid "PAH3" and resid 508 and name HD% )
( segid "PAH3" and resid 475 and name HD2%)
3.000 1.100 1.100 peak 55 spectrum 1 weight 0.10000E+01 volume 0.28671E-02 ppm1 7.224 ppm2 0.678 CV 1
ASSI { 56}
( segid "PAH3" and resid 508 and name HD% )
( segid "PAH3" and resid 480 and name HB% )
2.800 1.000 1.000 peak 56 spectrum 1 weight 0.10000E+01 volume 0.31089E-02 ppm1 7.224 ppm2 1.661 CV 1
ASSI { 57}
( segid "PAH3" and resid 508 and name HD% )
(( segid "PAH3" and resid 505 and name HA ))
2.400 0.700 0.700 peak 57 spectrum 1 weight 0.10000E+01 volume 0.72561E-02 ppm1 7.226 ppm2 4.887 CV 1
ASSI { 58}
( segid "PAH3" and resid 508 and name HD% )
(( segid "PAH3" and resid 505 and name HB ))
4.500 2.500 1.500 peak 58 spectrum 1 weight 0.10000E+01 volume 0.98518E-03 ppm1 7.225 ppm2 2.565 CV 1
ASSI { 59}
( segid "PAH3" and resid 508 and name HD% )
(( segid "PAH3" and resid 508 and name HA ))
3.000 1.100 1.100 peak 59 spectrum 1 weight 0.10000E+01 volume 0.36635E-02 ppm1 7.224 ppm2 4.362 CV 1
ASSI { 60}
( segid "PAH3" and resid 508 and name HD% )
(( segid "PAH3" and resid 508 and name HB1 ))
2.900 1.000 1.000 peak 60 spectrum 1 weight 0.10000E+01 volume 0.29909E-02 ppm1 7.224 ppm2 3.146 CV 1
ASSI { 61}
( segid "PAH3" and resid 508 and name HD% )
(( segid "PAH3" and resid 508 and name HB2 ))
3.300 1.300 1.300 peak 61 spectrum 1 weight 0.10000E+01 volume 0.16164E-02 ppm1 7.225 ppm2 2.966 CV 1
ASSI { 62}
( segid "PAH3" and resid 508 and name HE% )
(( segid "PAH3" and resid 480 and name HA ))
3.000 1.100 1.100 peak 62 spectrum 1 weight 0.10000E+01 volume 0.22535E-02 ppm1 7.434 ppm2 4.485 CV 1
ASSI { 63}
( segid "PAH3" and resid 508 and name HE% )
( segid "PAH3" and resid 480 and name HB% )
3.000 1.100 1.100 peak 63 spectrum 1 weight 0.10000E+01 volume 0.32859E-02 ppm1 7.436 ppm2 1.664 CV 1
ASSI { 64}
( segid "PAH3" and resid 512 and name HD% )
( segid "PAH3" and resid 474 and name HB% )
3.000 1.100 1.100 peak 64 spectrum 1 weight 0.10000E+01 volume 0.40882E-02 ppm1 7.206 ppm2 0.305 CV 1
ASSI { 66}
( segid "PAH3" and resid 512 and name HD% )
(( segid "PAH3" and resid 509 and name HA ))
2.800 1.000 1.000 peak 66 spectrum 1 weight 0.10000E+01 volume 0.38168E-02 ppm1 7.201 ppm2 4.479 CV 1
ASSI { 67}
( segid "PAH3" and resid 512 and name HD% )
( segid "PAH3" and resid 509 and name HD2%)
3.100 1.200 1.200 peak 67 spectrum 1 weight 0.10000E+01 volume 0.37460E-02 ppm1 7.202 ppm2 0.482 CV 1
ASSI { 68}
( segid "PAH3" and resid 512 and name HD% )
(( segid "PAH3" and resid 511 and name HB1 ))
3.300 1.400 1.400 peak 68 spectrum 1 weight 0.10000E+01 volume 0.79640E-03 ppm1 7.206 ppm2 1.231 CV 1
ASSI { 69}
( segid "PAH3" and resid 512 and name HD% )
(( segid "PAH3" and resid 511 and name HB2 ))
3.400 1.400 1.400 peak 69 spectrum 1 weight 0.10000E+01 volume 0.18524E-02 ppm1 7.208 ppm2 1.119 CV 1
OR { 69}
( segid "PAH3" and resid 508 and name HD% )
( segid "PAH3" and resid 505 and name HG1%)
ASSI { 70}
( segid "PAH3" and resid 512 and name HD% )
(( segid "PAH3" and resid 511 and name HD1 ))
3.200 1.300 1.300 peak 70 spectrum 1 weight 0.10000E+01 volume 0.25013E-02 ppm1 7.209 ppm2 1.480 CV 1
OR { 70}
( segid "PAH3" and resid 512 and name HD% )
(( segid "PAH3" and resid 511 and name HD2 ))
ASSI { 71}
( segid "PAH3" and resid 512 and name HD% )
(( segid "PAH3" and resid 512 and name HA ))
2.800 1.000 1.000 peak 71 spectrum 1 weight 0.10000E+01 volume 0.43360E-02 ppm1 7.201 ppm2 5.209 CV 1
ASSI { 72}
( segid "PAH3" and resid 512 and name HD% )
(( segid "PAH3" and resid 512 and name HB1 ))
3.100 1.200 1.200 peak 72 spectrum 1 weight 0.10000E+01 volume 0.22653E-02 ppm1 7.205 ppm2 3.233 CV 1
ASSI { 73}
( segid "PAH3" and resid 512 and name HD% )
(( segid "PAH3" and resid 512 and name HB2 ))
3.000 1.100 1.100 peak 73 spectrum 1 weight 0.10000E+01 volume 0.27491E-02 ppm1 7.205 ppm2 3.099 CV 1
ASSI { 74}
( segid "PAH3" and resid 512 and name HD% )
( segid "PAH3" and resid 515 and name HD2%)
3.100 1.200 1.200 peak 74 spectrum 1 weight 0.10000E+01 volume 0.31856E-02 ppm1 7.202 ppm2 0.448 CV 1
ASSI { 75}
( segid "PAH3" and resid 512 and name HE% )
( segid "PAH3" and resid 474 and name HB% )
3.200 1.300 1.300 peak 75 spectrum 1 weight 0.10000E+01 volume 0.24423E-02 ppm1 7.277 ppm2 0.305 CV 1
ASSI { 76}
( segid "PAH3" and resid 512 and name HE% )
( segid "PAH3" and resid 475 and name HD1%)
2.500 0.800 0.800 peak 76 spectrum 1 weight 0.10000E+01 volume 0.54509E-02 ppm1 7.277 ppm2 0.990 CV 1
OR { 76}
(( segid "PAH3" and resid 491 and name HZ ))
( segid "PAH3" and resid 496 and name HD1%)
ASSI { 77}
( segid "PAH3" and resid 512 and name HE% )
(( segid "PAH3" and resid 511 and name HD1 ))
3.200 1.300 1.300 peak 77 spectrum 1 weight 0.10000E+01 volume 0.19114E-02 ppm1 7.277 ppm2 1.481 CV 1
OR { 77}
( segid "PAH3" and resid 512 and name HE% )
(( segid "PAH3" and resid 511 and name HD2 ))
ASSI { 78}
( segid "PAH3" and resid 512 and name HE% )
(( segid "PAH3" and resid 511 and name HE2 ))
3.600 1.600 1.600 peak 78 spectrum 1 weight 0.10000E+01 volume 0.13922E-02 ppm1 7.277 ppm2 2.871 CV 1
OR { 78}
( segid "PAH3" and resid 512 and name HE% )
(( segid "PAH3" and resid 511 and name HE1 ))
ASSI { 79}
( segid "PAH3" and resid 512 and name HE% )
(( segid "PAH3" and resid 512 and name HA ))
3.300 1.400 1.400 peak 79 spectrum 1 weight 0.10000E+01 volume 0.70791E-03 ppm1 7.282 ppm2 5.210 CV 1
ASSI { 80}
( segid "PAH3" and resid 516 and name HD% )
(( segid "PAH3" and resid 516 and name HA ))
2.500 0.800 0.800 peak 80 spectrum 1 weight 0.10000E+01 volume 0.76691E-02 ppm1 7.489 ppm2 4.876 CV 1
ASSI { 81}
( segid "PAH3" and resid 516 and name HD% )
(( segid "PAH3" and resid 516 and name HB1 ))
3.400 1.500 1.500 peak 81 spectrum 1 weight 0.10000E+01 volume 0.12683E-02 ppm1 7.485 ppm2 3.413 CV 1
OR { 81}
( segid "PAH3" and resid 516 and name HD% )
(( segid "PAH3" and resid 516 and name HB2 ))
ASSI { 82}
( segid "PAH3" and resid 516 and name HE% )
( segid "PAH3" and resid 509 and name HD1%)
2.900 1.100 1.100 peak 82 spectrum 1 weight 0.10000E+01 volume 0.65482E-02 ppm1 7.359 ppm2 0.619 CV 1
OR { 82}
( segid "PAH3" and resid 516 and name HE% )
( segid "PAH3" and resid 502 and name HG2%)
ASSI { 83}
( segid "PAH3" and resid 516 and name HE% )
( segid "PAH3" and resid 505 and name HG1%)
2.800 1.000 1.000 peak 83 spectrum 1 weight 0.10000E+01 volume 0.44127E-02 ppm1 7.360 ppm2 1.096 CV 1
ASSI { 84}
( segid "PAH3" and resid 516 and name HE% )
(( segid "PAH3" and resid 506 and name HA ))
3.000 1.100 1.100 peak 84 spectrum 1 weight 0.10000E+01 volume 0.31620E-02 ppm1 7.359 ppm2 3.832 CV 1
ASSI { 85}
( segid "PAH3" and resid 516 and name HE% )
(( segid "PAH3" and resid 506 and name HB2 ))
3.300 1.400 1.400 peak 85 spectrum 1 weight 0.10000E+01 volume 0.17167E-02 ppm1 7.361 ppm2 4.259 CV 1
ASSI { 86}
( segid "PAH3" and resid 516 and name HE% )
(( segid "PAH3" and resid 516 and name HA ))
3.800 1.800 1.800 peak 86 spectrum 1 weight 0.10000E+01 volume 0.19940E-02 ppm1 7.360 ppm2 4.878 CV 1
ASSI { 87}
(( segid "PAH3" and resid 516 and name HZ ))
( segid "PAH3" and resid 502 and name HG2%)
3.200 1.300 1.300 peak 87 spectrum 1 weight 0.10000E+01 volume 0.56220E-02 ppm1 7.455 ppm2 0.620 CV 1
OR { 87}
( segid "PAH3" and resid 491 and name HD% )
( segid "PAH3" and resid 502 and name HG2%)
ASSI { 88}
( segid "PAH3" and resid 508 and name HE% )
(( segid "PAH3" and resid 507 and name HB2 ))
3.400 1.400 1.400 peak 88 spectrum 1 weight 0.10000E+01 volume 0.23184E-02 ppm1 7.448 ppm2 1.097 CV 1
OR { 88}
( segid "PAH3" and resid 491 and name HD% )
( segid "PAH3" and resid 490 and name HD1%)
OR { 88}
( segid "PAH3" and resid 468 and name HE% )
(( segid "PAH3" and resid 488 and name HG ))
OR { 88}
(( segid "PAH3" and resid 516 and name HZ ))
( segid "PAH3" and resid 505 and name HG1%)
ASSI { 89}
( segid "PAH3" and resid 491 and name HD% )
(( segid "PAH3" and resid 488 and name HA ))
3.000 1.100 1.100 peak 89 spectrum 1 weight 0.10000E+01 volume 0.46014E-02 ppm1 7.453 ppm2 3.834 CV 1
OR { 89}
(( segid "PAH3" and resid 516 and name HZ ))
(( segid "PAH3" and resid 506 and name HA ))
ASSI { 90}
(( segid "PAH3" and resid 516 and name HZ ))
(( segid "PAH3" and resid 506 and name HB2 ))
2.800 1.000 1.000 peak 90 spectrum 1 weight 0.10000E+01 volume 0.35691E-02 ppm1 7.454 ppm2 4.262 CV 1
ASSI { 91}
(( segid "PAH3" and resid 516 and name HZ ))
( segid "PAH3" and resid 516 and name HE% )
2.100 0.500 0.500 peak 91 spectrum 1 weight 0.10000E+01 volume 0.26252E-01 ppm1 7.455 ppm2 7.362 CV 1
ASSI { 92}
(( segid "PAH3" and resid 518 and name HZ2 ))
( segid "PAH3" and resid 463 and name HG2%)
4.400 2.400 1.600 peak 92 spectrum 1 weight 0.10000E+01 volume 0.61942E-03 ppm1 7.053 ppm2 1.288 CV 1
ASSI { 93}
(( segid "PAH3" and resid 518 and name HZ2 ))
(( segid "PAH3" and resid 464 and name HG2 ))
4.300 2.300 1.700 peak 93 spectrum 1 weight 0.10000E+01 volume 0.78460E-03 ppm1 7.056 ppm2 2.404 CV 1
ASSI { 94}
(( segid "PAH3" and resid 518 and name HD1 ))
(( segid "PAH3" and resid 518 and name HB1 ))
4.000 2.000 2.000 peak 94 spectrum 1 weight 0.10000E+01 volume 0.16754E-02 ppm1 7.216 ppm2 3.634 CV 1
ASSI { 95}
(( segid "PAH3" and resid 518 and name HD1 ))
(( segid "PAH3" and resid 518 and name HB2 ))
3.200 1.300 1.300 peak 95 spectrum 1 weight 0.10000E+01 volume 0.15456E-02 ppm1 7.216 ppm2 3.479 CV 1
ASSI { 96}
(( segid "PAH3" and resid 518 and name HE3 ))
(( segid "PAH3" and resid 518 and name HZ3 ))
2.700 0.900 0.900 peak 96 spectrum 1 weight 0.10000E+01 volume 0.49082E-02 ppm1 6.164 ppm2 5.820 CV 1
ASSI { 97}
(( segid "PAH3" and resid 518 and name HE3 ))
(( segid "PAH3" and resid 519 and name HA ))
2.500 0.800 0.800 peak 97 spectrum 1 weight 0.10000E+01 volume 0.55040E-02 ppm1 6.166 ppm2 3.888 CV 1
ASSI { 98}
( segid "PAH3" and resid 519 and name HD% )
( segid "PAH3" and resid 488 and name HD2%)
3.800 1.800 1.800 peak 98 spectrum 1 weight 0.10000E+01 volume 0.17698E-02 ppm1 7.303 ppm2 0.041 CV 1
ASSI { 99}
( segid "PAH3" and resid 519 and name HD% )
(( segid "PAH3" and resid 502 and name HA ))
2.700 0.900 0.900 peak 99 spectrum 1 weight 0.10000E+01 volume 0.60763E-02 ppm1 7.301 ppm2 3.575 CV 1
OR { 99}
( segid "PAH3" and resid 519 and name HD% )
(( segid "PAH3" and resid 520 and name HA ))
ASSI { 100}
( segid "PAH3" and resid 519 and name HD% )
( segid "PAH3" and resid 505 and name HG1%)
2.500 0.800 0.800 peak 100 spectrum 1 weight 0.10000E+01 volume 0.79050E-02 ppm1 7.298 ppm2 1.100 CV 1
OR { 100}
( segid "PAH3" and resid 512 and name HE% )
(( segid "PAH3" and resid 511 and name HB2 ))
ASSI { 101}
( segid "PAH3" and resid 519 and name HD% )
( segid "PAH3" and resid 523 and name HD1%)
3.200 1.200 1.200 peak 101 spectrum 1 weight 0.10000E+01 volume 0.21178E-02 ppm1 7.302 ppm2 0.484 CV 1
ASSI { 102}
( segid "PAH3" and resid 519 and name HD% )
(( segid "PAH3" and resid 519 and name HA ))
2.800 1.000 1.000 peak 102 spectrum 1 weight 0.10000E+01 volume 0.30263E-02 ppm1 7.299 ppm2 3.887 CV 1
ASSI { 103}
( segid "PAH3" and resid 519 and name HD% )
(( segid "PAH3" and resid 519 and name HB1 ))
2.800 1.000 1.000 peak 103 spectrum 1 weight 0.10000E+01 volume 0.36458E-02 ppm1 7.300 ppm2 3.620 CV 1
OR { 103}
( segid "PAH3" and resid 519 and name HD% )
(( segid "PAH3" and resid 519 and name HB2 ))
ASSI { 104}
( segid "PAH3" and resid 519 and name HD% )
( segid "PAH3" and resid 523 and name HD2%)
3.100 1.200 1.200 peak 104 spectrum 1 weight 0.10000E+01 volume 0.32859E-02 ppm1 7.302 ppm2 0.357 CV 1
ASSI { 105}
( segid "PAH3" and resid 522 and name HD% )
(( segid "PAH3" and resid 522 and name HA ))
2.500 0.800 0.800 peak 105 spectrum 1 weight 0.10000E+01 volume 0.83770E-02 ppm1 6.813 ppm2 3.810 CV 1
ASSI { 106}
( segid "PAH3" and resid 522 and name HD% )
(( segid "PAH3" and resid 522 and name HB1 ))
2.900 1.100 1.100 peak 106 spectrum 1 weight 0.10000E+01 volume 0.28788E-02 ppm1 6.814 ppm2 2.532 CV 1
ASSI { 107}
( segid "PAH3" and resid 522 and name HD% )
(( segid "PAH3" and resid 522 and name HB2 ))
3.400 1.500 1.500 peak 107 spectrum 1 weight 0.10000E+01 volume 0.18288E-02 ppm1 6.813 ppm2 1.944 CV 1
ASSI { 108}
( segid "PAH3" and resid 522 and name HE% )
( segid "PAH3" and resid 522 and name HD% )
2.100 0.500 0.500 peak 108 spectrum 1 weight 0.10000E+01 volume 0.25839E-01 ppm1 7.098 ppm2 6.815 CV 1
ASSI { 109}
( segid "PAH3" and resid 522 and name HE% )
(( segid "PAH3" and resid 522 and name HZ ))
2.000 0.500 0.500 peak 109 spectrum 1 weight 0.10000E+01 volume 0.28729E-01 ppm1 7.095 ppm2 7.240 CV 1
ASSI { 110}
( segid "PAH3" and resid 525 and name HD% )
(( segid "PAH3" and resid 499 and name HA ))
3.200 1.300 1.300 peak 110 spectrum 1 weight 0.10000E+01 volume 0.27078E-02 ppm1 6.891 ppm2 3.985 CV 1
ASSI { 111}
( segid "PAH3" and resid 525 and name HD% )
( segid "PAH3" and resid 499 and name HB% )
3.300 1.400 1.400 peak 111 spectrum 1 weight 0.10000E+01 volume 0.24718E-02 ppm1 6.891 ppm2 1.559 CV 1
OR { 111}
( segid "PAH3" and resid 525 and name HD% )
(( segid "PAH3" and resid 526 and name HB2 ))
ASSI { 112}
( segid "PAH3" and resid 525 and name HD% )
(( segid "PAH3" and resid 525 and name HA ))
2.700 0.900 0.900 peak 112 spectrum 1 weight 0.10000E+01 volume 0.54509E-02 ppm1 6.888 ppm2 4.313 CV 1
ASSI { 113}
( segid "PAH3" and resid 525 and name HD% )
(( segid "PAH3" and resid 525 and name HB1 ))
2.800 1.000 1.000 peak 113 spectrum 1 weight 0.10000E+01 volume 0.42416E-02 ppm1 6.889 ppm2 2.760 CV 1
ASSI { 114}
( segid "PAH3" and resid 525 and name HD% )
(( segid "PAH3" and resid 525 and name HB2 ))
2.800 1.000 1.000 peak 114 spectrum 1 weight 0.10000E+01 volume 0.42475E-02 ppm1 6.889 ppm2 2.556 CV 1
ASSI { 115}
( segid "PAH3" and resid 525 and name HD% )
( segid "PAH3" and resid 525 and name HE% )
1.900 0.500 0.500 peak 115 spectrum 1 weight 0.10000E+01 volume 0.40351E-01 ppm1 6.893 ppm2 6.735 CV 1
ASSI { 116}
( segid "PAH3" and resid 525 and name HD% )
(( segid "PAH3" and resid 498 and name HG1 ))
4.500 2.500 1.500 peak 116 spectrum 1 weight 0.10000E+01 volume 0.66662E-03 ppm1 6.891 ppm2 2.230 CV 1
OR { 116}
( segid "PAH3" and resid 525 and name HD% )
(( segid "PAH3" and resid 527 and name HG1 ))
ASSI { 117}
( segid "PAH3" and resid 525 and name HE% )
(( segid "PAH3" and resid 499 and name HA ))
2.800 1.000 1.000 peak 117 spectrum 1 weight 0.10000E+01 volume 0.46014E-02 ppm1 6.735 ppm2 3.985 CV 1
ASSI { 118}
( segid "PAH3" and resid 525 and name HE% )
( segid "PAH3" and resid 499 and name HB% )
2.700 0.900 0.900 peak 118 spectrum 1 weight 0.10000E+01 volume 0.69612E-02 ppm1 6.735 ppm2 1.562 CV 1
ASSI { 119}
( segid "PAH3" and resid 525 and name HE% )
(( segid "PAH3" and resid 525 and name HA ))
4.300 2.300 1.700 peak 119 spectrum 1 weight 0.10000E+01 volume 0.77281E-03 ppm1 6.733 ppm2 4.314 CV 1
ASSI { 121}
( segid "PAH3" and resid 481 and name HE% )
(( segid "PAH3" and resid 481 and name HA ))
3.600 1.600 1.600 peak 121 spectrum 1 weight 0.10000E+01 volume 0.21178E-02 ppm1 6.733 ppm2 4.111 CV 1
OR { 121}
( segid "PAH3" and resid 525 and name HE% )
(( segid "PAH3" and resid 527 and name HA ))
ASSI { 122}
( segid "PAH3" and resid 525 and name HE% )
(( segid "PAH3" and resid 527 and name HG1 ))
3.500 1.600 1.600 peak 122 spectrum 1 weight 0.10000E+01 volume 0.15456E-02 ppm1 6.736 ppm2 2.224 CV 1
OR { 122}
( segid "PAH3" and resid 525 and name HE% )
(( segid "PAH3" and resid 527 and name HG2 ))
OR { 122}
( segid "PAH3" and resid 481 and name HE% )
(( segid "PAH3" and resid 484 and name HB2 ))
ASSI { 123}
( segid "PAH3" and resid 519 and name HD% )
( segid "PAH3" and resid 501 and name HD2%)
3.900 1.900 1.900 peak 123 spectrum 1 weight 0.10000E+01 volume 0.16931E-02 ppm1 7.301 ppm2 0.542 CV 1
ASSI { 124}
( segid "PAH3" and resid 519 and name HD% )
( segid "PAH3" and resid 502 and name HG2%)
2.700 0.900 0.900 peak 124 spectrum 1 weight 0.10000E+01 volume 0.46899E-02 ppm1 7.303 ppm2 0.618 CV 1
OR { 124}
( segid "PAH3" and resid 519 and name HD% )
( segid "PAH3" and resid 509 and name HD1%)
ASSI { 125}
( segid "PAH3" and resid 519 and name HD% )
( segid "PAH3" and resid 502 and name HG1%)
2.900 1.100 1.100 peak 125 spectrum 1 weight 0.10000E+01 volume 0.35455E-02 ppm1 7.303 ppm2 0.726 CV 1
ASSI { 126}
( segid "PAH3" and resid 516 and name HE% )
( segid "PAH3" and resid 502 and name HG1%)
3.400 1.400 1.400 peak 126 spectrum 1 weight 0.10000E+01 volume 0.16931E-02 ppm1 7.358 ppm2 0.725 CV 1
ASSI { 127}
( segid "PAH3" and resid 519 and name HD% )
(( segid "PAH3" and resid 518 and name HE3 ))
4.000 2.000 2.000 peak 127 spectrum 1 weight 0.10000E+01 volume 0.12919E-02 ppm1 7.304 ppm2 6.167 CV 1
ASSI { 128}
( segid "PAH3" and resid 519 and name HD% )
( segid "PAH3" and resid 467 and name HD% )
2.900 2.900 3.100 peak 128 spectrum 1 weight 0.10000E+01 volume 0.17521E-02 ppm1 7.305 ppm2 5.887 CV 1
ASSI { 129}
( segid "PAH3" and resid 519 and name HD% )
(( segid "PAH3" and resid 518 and name HZ3 ))
3.500 1.600 1.600 peak 129 spectrum 1 weight 0.10000E+01 volume 0.12388E-02 ppm1 7.302 ppm2 5.822 CV 1
ASSI { 130}
( segid "PAH3" and resid 519 and name HD% )
(( segid "PAH3" and resid 516 and name HA ))
3.800 1.800 1.800 peak 130 spectrum 1 weight 0.10000E+01 volume 0.12035E-02 ppm1 7.301 ppm2 4.882 CV 1
ASSI { 131}
( segid "PAH3" and resid 519 and name HD% )
(( segid "PAH3" and resid 501 and name HG ))
4.100 2.100 1.900 peak 131 spectrum 1 weight 0.10000E+01 volume 0.10029E-02 ppm1 7.302 ppm2 1.575 CV 1
OR { 131}
( segid "PAH3" and resid 519 and name HD% )
(( segid "PAH3" and resid 523 and name HB1 ))
ASSI { 132}
( segid "PAH3" and resid 519 and name HE% )
( segid "PAH3" and resid 505 and name HG1%)
3.400 1.400 1.400 peak 132 spectrum 1 weight 0.10000E+01 volume 0.14099E-02 ppm1 7.014 ppm2 1.095 CV 1
ASSI { 133}
( segid "PAH3" and resid 519 and name HE% )
( segid "PAH3" and resid 501 and name HD1%)
4.100 2.100 1.900 peak 133 spectrum 1 weight 0.10000E+01 volume 0.84950E-03 ppm1 7.016 ppm2 0.884 CV 1
ASSI { 134}
( segid "PAH3" and resid 519 and name HD% )
( segid "PAH3" and resid 501 and name HD1%)
4.600 2.700 1.400 peak 134 spectrum 1 weight 0.10000E+01 volume 0.49731E-03 ppm1 7.302 ppm2 0.882 CV 1
ASSI { 135}
( segid "PAH3" and resid 519 and name HE% )
( segid "PAH3" and resid 523 and name HD2%)
4.400 2.400 1.600 peak 135 spectrum 1 weight 0.10000E+01 volume 0.37106E-03 ppm1 7.019 ppm2 0.357 CV 1
ASSI { 136}
( segid "PAH3" and resid 468 and name HE% )
( segid "PAH3" and resid 488 and name HD2%)
4.300 2.300 1.700 peak 136 spectrum 1 weight 0.10000E+01 volume 0.44009E-03 ppm1 7.440 ppm2 0.041 CV 1
ASSI { 137}
( segid "PAH3" and resid 468 and name HE% )
( segid "PAH3" and resid 485 and name HD1%)
4.100 2.100 1.900 peak 137 spectrum 1 weight 0.10000E+01 volume 0.87309E-03 ppm1 7.439 ppm2 0.543 CV 1
OR { 137}
( segid "PAH3" and resid 468 and name HE% )
( segid "PAH3" and resid 501 and name HD2%)
ASSI { 138}
( segid "PAH3" and resid 468 and name HD% )
( segid "PAH3" and resid 488 and name HD1%)
4.000 2.000 2.000 peak 138 spectrum 1 weight 0.10000E+01 volume 0.85540E-03 ppm1 7.585 ppm2 0.233 CV 1
ASSI { 139}
( segid "PAH3" and resid 467 and name HE% )
( segid "PAH3" and resid 467 and name HD% )
2.100 0.600 0.600 peak 139 spectrum 1 weight 0.10000E+01 volume 0.16872E-01 ppm1 7.158 ppm2 5.890 CV 1
ASSI { 141}
(( segid "PAH3" and resid 518 and name HZ2 ))
(( segid "PAH3" and resid 518 and name HZ3 ))
4.000 2.000 2.000 peak 141 spectrum 1 weight 0.10000E+01 volume 0.15692E-02 ppm1 7.054 ppm2 5.821 CV 1
ASSI { 142}
(( segid "PAH3" and resid 518 and name HZ2 ))
(( segid "PAH3" and resid 518 and name HH2 ))
2.400 0.700 0.700 peak 142 spectrum 1 weight 0.10000E+01 volume 0.10796E-01 ppm1 7.054 ppm2 5.951 CV 1
ASSI { 143}
(( segid "PAH3" and resid 467 and name HZ ))
( segid "PAH3" and resid 467 and name HD% )
3.300 1.400 1.400 peak 143 spectrum 1 weight 0.10000E+01 volume 0.36104E-02 ppm1 6.941 ppm2 5.889 CV 1
OR { 143}
( segid "PAH3" and resid 484 and name HE% )
( segid "PAH3" and resid 467 and name HD% )
ASSI { 144}
(( segid "PAH3" and resid 467 and name HZ ))
( segid "PAH3" and resid 467 and name HE% )
2.300 0.700 0.700 peak 144 spectrum 1 weight 0.10000E+01 volume 0.13686E-01 ppm1 6.944 ppm2 7.159 CV 1
OR { 144}
( segid "PAH3" and resid 484 and name HE% )
( segid "PAH3" and resid 467 and name HE% )
ASSI { 145}
( segid "PAH3" and resid 484 and name HE% )
( segid "PAH3" and resid 468 and name HE% )
2.500 0.800 0.800 peak 145 spectrum 1 weight 0.10000E+01 volume 0.93799E-02 ppm1 6.947 ppm2 7.437 CV 1
ASSI { 149}
( segid "PAH3" and resid 484 and name HD% )
( segid "PAH3" and resid 468 and name HE% )
3.400 1.500 1.500 peak 149 spectrum 1 weight 0.10000E+01 volume 0.24305E-02 ppm1 6.832 ppm2 7.435 CV 1
OR { 149}
( segid "PAH3" and resid 484 and name HD% )
( segid "PAH3" and resid 508 and name HE% )
ASSI { 150}
( segid "PAH3" and resid 484 and name HD% )
( segid "PAH3" and resid 468 and name HD% )
4.400 2.400 1.600 peak 150 spectrum 1 weight 0.10000E+01 volume 0.77871E-03 ppm1 6.831 ppm2 7.584 CV 1
ASSI { 151}
( segid "PAH3" and resid 481 and name HE% )
( segid "PAH3" and resid 468 and name HD% )
3.100 1.200 1.200 peak 151 spectrum 1 weight 0.10000E+01 volume 0.25898E-02 ppm1 6.711 ppm2 7.585 CV 1
ASSI { 152}
( segid "PAH3" and resid 468 and name HD% )
( segid "PAH3" and resid 485 and name HD1%)
4.500 2.500 1.500 peak 152 spectrum 1 weight 0.10000E+01 volume 0.57164E-03 ppm1 7.584 ppm2 0.539 CV 1
ASSI { 153}
( segid "PAH3" and resid 491 and name HD% )
(( segid "PAH3" and resid 491 and name HA ))
3.800 1.800 1.800 peak 153 spectrum 1 weight 0.10000E+01 volume 0.77871E-03 ppm1 7.455 ppm2 4.447 CV 1
ASSI { 154}
( segid "PAH3" and resid 491 and name HD% )
( segid "PAH3" and resid 501 and name HD2%)
4.100 2.100 1.900 peak 154 spectrum 1 weight 0.10000E+01 volume 0.50734E-03 ppm1 7.461 ppm2 0.542 CV 1
ASSI { 155}
(( segid "PAH3" and resid 518 and name HZ2 ))
(( segid "PAH3" and resid 463 and name HB ))
3.700 1.700 1.700 peak 155 spectrum 1 weight 0.10000E+01 volume 0.93209E-03 ppm1 7.053 ppm2 4.459 CV 1
ASSI { 156}
(( segid "PAH3" and resid 518 and name HZ2 ))
(( segid "PAH3" and resid 464 and name HA ))
2.900 1.000 1.000 peak 156 spectrum 1 weight 0.10000E+01 volume 0.38227E-02 ppm1 7.053 ppm2 4.069 CV 1
ASSI { 157}
(( segid "PAH3" and resid 518 and name HZ2 ))
(( segid "PAH3" and resid 464 and name HG1 ))
5.000 3.100 1.000 peak 157 spectrum 1 weight 0.10000E+01 volume 0.26193E-03 ppm1 7.052 ppm2 2.639 CV 1
ASSI { 158}
( segid "PAH3" and resid 468 and name HD% )
(( segid "PAH3" and resid 464 and name HA ))
4.100 2.100 1.900 peak 158 spectrum 1 weight 0.10000E+01 volume 0.52622E-03 ppm1 7.585 ppm2 4.073 CV 1
ASSI { 159}
( segid "PAH3" and resid 468 and name HD% )
(( segid "PAH3" and resid 465 and name HB1 ))
5.200 3.300 0.800 peak 159 spectrum 1 weight 0.10000E+01 volume 0.29142E-03 ppm1 7.583 ppm2 3.996 CV 1
ASSI { 160}
( segid "PAH3" and resid 468 and name HD% )
(( segid "PAH3" and resid 467 and name HA ))
3.900 1.900 1.900 peak 160 spectrum 1 weight 0.10000E+01 volume 0.19409E-02 ppm1 7.585 ppm2 3.548 CV 1
ASSI { 161}
( segid "PAH3" and resid 468 and name HD% )
(( segid "PAH3" and resid 471 and name HB ))
4.200 2.200 1.800 peak 161 spectrum 1 weight 0.10000E+01 volume 0.55925E-03 ppm1 7.584 ppm2 1.761 CV 1
ASSI { 162}
( segid "PAH3" and resid 468 and name HD% )
( segid "PAH3" and resid 467 and name HD% )
3.100 1.200 1.200 peak 162 spectrum 1 weight 0.10000E+01 volume 0.23479E-02 ppm1 7.588 ppm2 5.888 CV 1
ASSI { 163}
( segid "PAH3" and resid 491 and name HD% )
(( segid "PAH3" and resid 488 and name HA ))
3.500 1.500 1.500 peak 163 spectrum 1 weight 0.10000E+01 volume 0.21001E-02 ppm1 7.492 ppm2 3.835 CV 1
OR { 163}
( segid "PAH3" and resid 516 and name HD% )
(( segid "PAH3" and resid 506 and name HA ))
ASSI { 164}
( segid "PAH3" and resid 516 and name HD% )
(( segid "PAH3" and resid 519 and name HB1 ))
3.700 1.700 1.700 peak 164 spectrum 1 weight 0.10000E+01 volume 0.10619E-02 ppm1 7.493 ppm2 3.631 CV 1
OR { 164}
( segid "PAH3" and resid 516 and name HD% )
(( segid "PAH3" and resid 519 and name HB2 ))
ASSI { 165}
( segid "PAH3" and resid 516 and name HD% )
(( segid "PAH3" and resid 502 and name HA ))
3.700 1.700 1.700 peak 165 spectrum 1 weight 0.10000E+01 volume 0.16931E-02 ppm1 7.488 ppm2 3.576 CV 1
OR { 165}
( segid "PAH3" and resid 516 and name HD% )
(( segid "PAH3" and resid 520 and name HA ))
ASSI { 166}
( segid "PAH3" and resid 516 and name HD% )
(( segid "PAH3" and resid 510 and name HA2 ))
3.100 3.100 2.900 peak 166 spectrum 1 weight 0.10000E+01 volume 0.14748E-02 ppm1 7.484 ppm2 3.452 CV 1
OR { 166}
( segid "PAH3" and resid 516 and name HD% )
(( segid "PAH3" and resid 518 and name HB2 ))
ASSI { 167}
( segid "PAH3" and resid 516 and name HE% )
(( segid "PAH3" and resid 516 and name HB1 ))
5.000 3.100 1.000 peak 167 spectrum 1 weight 0.10000E+01 volume 0.38050E-03 ppm1 7.358 ppm2 3.448 CV 1
OR { 167}
( segid "PAH3" and resid 516 and name HE% )
(( segid "PAH3" and resid 516 and name HB2 ))
ASSI { 169}
( segid "PAH3" and resid 516 and name HD% )
(( segid "PAH3" and resid 509 and name HG ))
4.100 2.100 1.900 peak 169 spectrum 1 weight 0.10000E+01 volume 0.61942E-03 ppm1 7.487 ppm2 1.393 CV 1
OR { 169}
( segid "PAH3" and resid 516 and name HD% )
(( segid "PAH3" and resid 520 and name HG1 ))
ASSI { 170}
( segid "PAH3" and resid 516 and name HD% )
( segid "PAH3" and resid 505 and name HG1%)
3.800 1.800 1.800 peak 170 spectrum 1 weight 0.10000E+01 volume 0.14748E-02 ppm1 7.487 ppm2 1.096 CV 1
OR { 170}
( segid "PAH3" and resid 491 and name HD% )
( segid "PAH3" and resid 490 and name HD1%)
ASSI { 171}
( segid "PAH3" and resid 516 and name HD% )
(( segid "PAH3" and resid 509 and name HB1 ))
4.600 2.600 1.400 peak 171 spectrum 1 weight 0.10000E+01 volume 0.41531E-03 ppm1 7.485 ppm2 1.160 CV 1
ASSI { 172}
(( segid "PAH3" and resid 516 and name HZ ))
( segid "PAH3" and resid 502 and name HG1%)
3.900 1.900 1.900 peak 172 spectrum 1 weight 0.10000E+01 volume 0.66662E-03 ppm1 7.447 ppm2 0.727 CV 1
ASSI { 173}
( segid "PAH3" and resid 516 and name HD% )
( segid "PAH3" and resid 502 and name HG1%)
4.100 2.100 1.900 peak 173 spectrum 1 weight 0.10000E+01 volume 0.10855E-02 ppm1 7.487 ppm2 0.725 CV 1
ASSI { 174}
( segid "PAH3" and resid 516 and name HD% )
( segid "PAH3" and resid 509 and name HD1%)
2.800 1.000 1.000 peak 174 spectrum 1 weight 0.10000E+01 volume 0.57695E-02 ppm1 7.488 ppm2 0.619 CV 1
ASSI { 175}
( segid "PAH3" and resid 491 and name HD% )
( segid "PAH3" and resid 523 and name HD1%)
3.900 1.900 1.900 peak 175 spectrum 1 weight 0.10000E+01 volume 0.52622E-03 ppm1 7.490 ppm2 0.485 CV 1
OR { 175}
( segid "PAH3" and resid 516 and name HD% )
( segid "PAH3" and resid 509 and name HD2%)
ASSI { 176}
( segid "PAH3" and resid 508 and name HE% )
(( segid "PAH3" and resid 505 and name HA ))
3.400 1.500 1.500 peak 176 spectrum 1 weight 0.10000E+01 volume 0.25780E-02 ppm1 7.437 ppm2 4.887 CV 1
ASSI { 177}
( segid "PAH3" and resid 491 and name HD% )
(( segid "PAH3" and resid 492 and name HA ))
3.600 1.600 1.600 peak 177 spectrum 1 weight 0.10000E+01 volume 0.91439E-03 ppm1 7.444 ppm2 4.365 CV 1
ASSI { 178}
( segid "PAH3" and resid 468 and name HE% )
(( segid "PAH3" and resid 468 and name HA ))
3.800 1.800 1.800 peak 178 spectrum 1 weight 0.10000E+01 volume 0.11563E-02 ppm1 7.439 ppm2 3.692 CV 1
OR { 178}
( segid "PAH3" and resid 508 and name HE% )
(( segid "PAH3" and resid 507 and name HD2 ))
ASSI { 179}
( segid "PAH3" and resid 516 and name HE% )
(( segid "PAH3" and resid 502 and name HA ))
3.100 1.200 1.200 peak 179 spectrum 1 weight 0.10000E+01 volume 0.34098E-02 ppm1 7.358 ppm2 3.578 CV 1
ASSI { 180}
(( segid "PAH3" and resid 516 and name HZ ))
(( segid "PAH3" and resid 519 and name HB1 ))
3.600 1.600 1.600 peak 180 spectrum 1 weight 0.10000E+01 volume 0.15810E-02 ppm1 7.438 ppm2 3.632 CV 1
OR { 180}
( segid "PAH3" and resid 468 and name HE% )
(( segid "PAH3" and resid 519 and name HB2 ))
OR { 180}
( segid "PAH3" and resid 468 and name HE% )
(( segid "PAH3" and resid 518 and name HB1 ))
OR { 180}
(( segid "PAH3" and resid 516 and name HZ ))
(( segid "PAH3" and resid 519 and name HB2 ))
OR { 180}
( segid "PAH3" and resid 508 and name HE% )
(( segid "PAH3" and resid 484 and name HA ))
OR { 180}
( segid "PAH3" and resid 468 and name HE% )
(( segid "PAH3" and resid 519 and name HB1 ))
ASSI { 181}
( segid "PAH3" and resid 468 and name HE% )
(( segid "PAH3" and resid 468 and name HB1 ))
3.600 1.700 1.700 peak 181 spectrum 1 weight 0.10000E+01 volume 0.20471E-02 ppm1 7.446 ppm2 3.575 CV 1
OR { 181}
(( segid "PAH3" and resid 516 and name HZ ))
(( segid "PAH3" and resid 502 and name HA ))
ASSI { 184}
( segid "PAH3" and resid 468 and name HE% )
(( segid "PAH3" and resid 488 and name HB2 ))
4.000 2.000 2.000 peak 184 spectrum 1 weight 0.10000E+01 volume 0.74331E-03 ppm1 7.440 ppm2 1.029 CV 1
OR { 184}
( segid "PAH3" and resid 468 and name HE% )
( segid "PAH3" and resid 505 and name HG2%)
OR { 184}
( segid "PAH3" and resid 508 and name HE% )
( segid "PAH3" and resid 505 and name HG2%)
ASSI { 185}
( segid "PAH3" and resid 491 and name HD% )
( segid "PAH3" and resid 496 and name HD1%)
3.900 1.900 1.900 peak 185 spectrum 1 weight 0.10000E+01 volume 0.12919E-02 ppm1 7.441 ppm2 0.984 CV 1
ASSI { 186}
( segid "PAH3" and resid 512 and name HE% )
(( segid "PAH3" and resid 509 and name HA ))
4.100 2.100 1.900 peak 186 spectrum 1 weight 0.10000E+01 volume 0.11091E-02 ppm1 7.277 ppm2 4.480 CV 1
ASSI { 187}
(( segid "PAH3" and resid 508 and name HZ ))
(( segid "PAH3" and resid 480 and name HA ))
4.100 2.100 1.900 peak 187 spectrum 1 weight 0.10000E+01 volume 0.11268E-02 ppm1 7.155 ppm2 4.490 CV 1
ASSI { 188}
( segid "PAH3" and resid 512 and name HE% )
(( segid "PAH3" and resid 474 and name HA ))
3.500 1.600 1.600 peak 188 spectrum 1 weight 0.10000E+01 volume 0.19350E-02 ppm1 7.283 ppm2 3.693 CV 1
ASSI { 189}
( segid "PAH3" and resid 512 and name HD% )
(( segid "PAH3" and resid 511 and name HE2 ))
3.500 1.600 1.600 peak 189 spectrum 1 weight 0.10000E+01 volume 0.19409E-02 ppm1 7.209 ppm2 2.871 CV 1
OR { 189}
( segid "PAH3" and resid 512 and name HD% )
(( segid "PAH3" and resid 511 and name HE1 ))
OR { 189}
( segid "PAH3" and resid 512 and name HD% )
(( segid "PAH3" and resid 471 and name HA ))
OR { 189}
( segid "PAH3" and resid 508 and name HD% )
(( segid "PAH3" and resid 511 and name HE2 ))
ASSI { 190}
(( segid "PAH3" and resid 491 and name HZ ))
(( segid "PAH3" and resid 498 and name HG1 ))
3.600 1.600 1.600 peak 190 spectrum 1 weight 0.10000E+01 volume 0.93799E-03 ppm1 7.223 ppm2 2.239 CV 1
OR { 190}
(( segid "PAH3" and resid 491 and name HZ ))
(( segid "PAH3" and resid 501 and name HB1 ))
OR { 190}
( segid "PAH3" and resid 512 and name HD% )
(( segid "PAH3" and resid 513 and name HG1 ))
OR { 190}
( segid "PAH3" and resid 508 and name HD% )
(( segid "PAH3" and resid 484 and name HB2 ))
ASSI { 191}
( segid "PAH3" and resid 519 and name HD% )
(( segid "PAH3" and resid 501 and name HG ))
3.900 1.900 1.900 peak 191 spectrum 1 weight 0.10000E+01 volume 0.13214E-02 ppm1 7.302 ppm2 1.603 CV 1
ASSI { 192}
( segid "PAH3" and resid 512 and name HE% )
(( segid "PAH3" and resid 511 and name HB1 ))
4.300 2.300 1.700 peak 192 spectrum 1 weight 0.10000E+01 volume 0.26606E-03 ppm1 7.282 ppm2 1.234 CV 1
OR { 192}
( segid "PAH3" and resid 519 and name HD% )
(( segid "PAH3" and resid 520 and name HD2 ))
ASSI { 193}
( segid "PAH3" and resid 525 and name HE% )
( segid "PAH3" and resid 502 and name HG1%)
3.000 1.200 1.200 peak 193 spectrum 1 weight 0.10000E+01 volume 0.12742E-02 ppm1 6.735 ppm2 0.726 CV 1
ASSI { 194}
( segid "PAH3" and resid 525 and name HE% )
( segid "PAH3" and resid 502 and name HG2%)
2.900 1.000 1.000 peak 194 spectrum 1 weight 0.10000E+01 volume 0.18642E-02 ppm1 6.736 ppm2 0.620 CV 1
ASSI { 195}
( segid "PAH3" and resid 525 and name HD% )
( segid "PAH3" and resid 502 and name HG1%)
3.200 1.300 1.300 peak 195 spectrum 1 weight 0.10000E+01 volume 0.23597E-02 ppm1 6.891 ppm2 0.728 CV 1
ASSI { 196}
( segid "PAH3" and resid 525 and name HD% )
( segid "PAH3" and resid 502 and name HG2%)
3.300 1.400 1.400 peak 196 spectrum 1 weight 0.10000E+01 volume 0.16164E-02 ppm1 6.893 ppm2 0.617 CV 1
ASSI { 197}
( segid "PAH3" and resid 484 and name HD% )
( segid "PAH3" and resid 475 and name HD2%)
3.900 1.900 1.900 peak 197 spectrum 1 weight 0.10000E+01 volume 0.12094E-02 ppm1 6.833 ppm2 0.675 CV 1
ASSI { 198}
( segid "PAH3" and resid 484 and name HD% )
( segid "PAH3" and resid 509 and name HD1%)
4.100 2.100 1.900 peak 198 spectrum 1 weight 0.10000E+01 volume 0.72561E-03 ppm1 6.834 ppm2 0.612 CV 1
ASSI { 199}
( segid "PAH3" and resid 484 and name HD% )
(( segid "PAH3" and resid 485 and name HG ))
3.700 1.700 1.700 peak 199 spectrum 1 weight 0.10000E+01 volume 0.11504E-02 ppm1 6.834 ppm2 1.206 CV 1
ASSI { 201}
( segid "PAH3" and resid 484 and name HD% )
(( segid "PAH3" and resid 481 and name HA ))
4.000 2.000 2.000 peak 201 spectrum 1 weight 0.10000E+01 volume 0.89079E-03 ppm1 6.835 ppm2 4.119 CV 1
ASSI { 202}
( segid "PAH3" and resid 484 and name HD% )
( segid "PAH3" and resid 485 and name HD2%)
3.000 1.100 1.100 peak 202 spectrum 1 weight 0.10000E+01 volume 0.23833E-02 ppm1 6.814 ppm2 0.482 CV 1
ASSI { 203}
( segid "PAH3" and resid 522 and name HD% )
(( segid "PAH3" and resid 523 and name HG ))
3.600 1.600 1.600 peak 203 spectrum 1 weight 0.10000E+01 volume 0.15338E-02 ppm1 6.815 ppm2 1.371 CV 1
OR { 203}
( segid "PAH3" and resid 484 and name HD% )
(( segid "PAH3" and resid 509 and name HG ))
ASSI { 204}
( segid "PAH3" and resid 481 and name HE% )
(( segid "PAH3" and resid 472 and name HA ))
3.400 1.500 1.500 peak 204 spectrum 1 weight 0.10000E+01 volume 0.20824E-02 ppm1 6.709 ppm2 3.094 CV 1
ASSI { 205}
( segid "PAH3" and resid 481 and name HE% )
(( segid "PAH3" and resid 471 and name HB ))
2.900 1.000 1.000 peak 205 spectrum 1 weight 0.10000E+01 volume 0.30263E-02 ppm1 6.713 ppm2 1.767 CV 1
ASSI { 206}
( segid "PAH3" and resid 481 and name HE% )
(( segid "PAH3" and resid 468 and name HA ))
3.800 1.800 1.800 peak 206 spectrum 1 weight 0.10000E+01 volume 0.93799E-03 ppm1 6.710 ppm2 3.695 CV 1
ASSI { 207}
( segid "PAH3" and resid 481 and name HE% )
(( segid "PAH3" and resid 481 and name HB2 ))
4.200 2.200 1.800 peak 207 spectrum 1 weight 0.10000E+01 volume 0.92619E-03 ppm1 6.709 ppm2 2.974 CV 1
ASSI { 208}
( segid "PAH3" and resid 481 and name HE% )
(( segid "PAH3" and resid 481 and name HB1 ))
4.100 2.100 1.900 peak 208 spectrum 1 weight 0.10000E+01 volume 0.11917E-02 ppm1 6.705 ppm2 3.161 CV 1
OR { 208}
( segid "PAH3" and resid 481 and name HE% )
(( segid "PAH3" and resid 484 and name HB1 ))
ASSI { 209}
( segid "PAH3" and resid 525 and name HE% )
(( segid "PAH3" and resid 527 and name HB2 ))
3.900 1.900 1.900 peak 209 spectrum 1 weight 0.10000E+01 volume 0.72561E-03 ppm1 6.735 ppm2 1.849 CV 1
ASSI { 210}
( segid "PAH3" and resid 525 and name HE% )
(( segid "PAH3" and resid 502 and name HB ))
3.600 1.600 1.600 peak 210 spectrum 1 weight 0.10000E+01 volume 0.11032E-02 ppm1 6.733 ppm2 1.913 CV 1
ASSI { 211}
( segid "PAH3" and resid 481 and name HE% )
(( segid "PAH3" and resid 485 and name HG ))
3.800 1.800 1.800 peak 211 spectrum 1 weight 0.10000E+01 volume 0.90849E-03 ppm1 6.712 ppm2 1.217 CV 1
ASSI { 212}
( segid "PAH3" and resid 525 and name HE% )
(( segid "PAH3" and resid 520 and name HE2 ))
3.800 1.800 1.800 peak 212 spectrum 1 weight 0.10000E+01 volume 0.53388E-03 ppm1 6.737 ppm2 1.646 CV 1
OR { 212}
( segid "PAH3" and resid 481 and name HE% )
( segid "PAH3" and resid 480 and name HB% )
ASSI { 214}
( segid "PAH3" and resid 481 and name HD% )
(( segid "PAH3" and resid 472 and name HA ))
2.700 0.900 0.900 peak 214 spectrum 1 weight 0.10000E+01 volume 0.56043E-02 ppm1 6.922 ppm2 3.097 CV 1
ASSI { 215}
( segid "PAH3" and resid 481 and name HD% )
(( segid "PAH3" and resid 478 and name HA ))
3.500 1.600 1.600 peak 215 spectrum 1 weight 0.10000E+01 volume 0.17167E-02 ppm1 6.924 ppm2 4.194 CV 1
ASSI { 216}
( segid "PAH3" and resid 525 and name HD% )
(( segid "PAH3" and resid 520 and name HA ))
3.000 3.000 3.000 peak 216 spectrum 1 weight 0.10000E+01 volume 0.14748E-02 ppm1 6.889 ppm2 3.587 CV 1
OR { 216}
( segid "PAH3" and resid 525 and name HD% )
(( segid "PAH3" and resid 502 and name HA ))
ASSI { 217}
(( segid "PAH3" and resid 467 and name HZ ))
(( segid "PAH3" and resid 519 and name HB2 ))
3.100 1.200 1.200 peak 217 spectrum 1 weight 0.10000E+01 volume 0.29378E-02 ppm1 6.945 ppm2 3.637 CV 1
OR { 217}
(( segid "PAH3" and resid 467 and name HZ ))
(( segid "PAH3" and resid 519 and name HB1 ))
OR { 217}
( segid "PAH3" and resid 484 and name HE% )
(( segid "PAH3" and resid 484 and name HA ))
ASSI { 218}
( segid "PAH3" and resid 484 and name HE% )
(( segid "PAH3" and resid 468 and name HA ))
3.700 1.800 1.800 peak 218 spectrum 1 weight 0.10000E+01 volume 0.15220E-02 ppm1 6.944 ppm2 3.687 CV 1
OR { 218}
( segid "PAH3" and resid 481 and name HD% )
(( segid "PAH3" and resid 468 and name HA ))
ASSI { 219}
( segid "PAH3" and resid 525 and name HD% )
(( segid "PAH3" and resid 527 and name HB2 ))
4.100 2.100 1.900 peak 219 spectrum 1 weight 0.10000E+01 volume 0.40705E-03 ppm1 6.891 ppm2 1.853 CV 1
ASSI { 220}
( segid "PAH3" and resid 525 and name HD% )
(( segid "PAH3" and resid 520 and name HB1 ))
3.800 1.800 1.800 peak 220 spectrum 1 weight 0.10000E+01 volume 0.10914E-02 ppm1 6.891 ppm2 1.921 CV 1
OR { 220}
( segid "PAH3" and resid 525 and name HD% )
(( segid "PAH3" and resid 502 and name HB ))
ASSI { 221}
( segid "PAH3" and resid 525 and name HD% )
(( segid "PAH3" and resid 520 and name HD2 ))
3.700 1.700 1.700 peak 221 spectrum 1 weight 0.10000E+01 volume 0.12801E-02 ppm1 6.889 ppm2 1.218 CV 1
ASSI { 222}
( segid "PAH3" and resid 525 and name HD% )
(( segid "PAH3" and resid 520 and name HD1 ))
3.500 1.500 1.500 peak 222 spectrum 1 weight 0.10000E+01 volume 0.10619E-02 ppm1 6.888 ppm2 1.269 CV 1
ASSI { 223}
( segid "PAH3" and resid 525 and name HD% )
(( segid "PAH3" and resid 520 and name HG1 ))
3.400 1.400 1.400 peak 223 spectrum 1 weight 0.10000E+01 volume 0.65482E-03 ppm1 6.888 ppm2 1.377 CV 1
ASSI { 229}
( segid "PAH3" and resid 481 and name HD% )
( segid "PAH3" and resid 485 and name HD1%)
3.700 1.700 1.700 peak 229 spectrum 1 weight 0.10000E+01 volume 0.11858E-02 ppm1 6.925 ppm2 0.538 CV 1
OR { 229}
( segid "PAH3" and resid 484 and name HE% )
( segid "PAH3" and resid 501 and name HD2%)
ASSI { 231}
(( segid "PAH3" and resid 468 and name HZ ))
( segid "PAH3" and resid 488 and name HD2%)
4.800 2.900 1.200 peak 231 spectrum 1 weight 0.10000E+01 volume 0.59583E-03 ppm1 7.532 ppm2 0.041 CV 1
ASSI { 232}
(( segid "PAH3" and resid 468 and name HZ ))
( segid "PAH3" and resid 488 and name HD1%)
3.900 1.900 1.900 peak 232 spectrum 1 weight 0.10000E+01 volume 0.93209E-03 ppm1 7.528 ppm2 0.228 CV 1
ASSI { 233}
(( segid "PAH3" and resid 518 and name HD1 ))
(( segid "PAH3" and resid 518 and name HA ))
2.900 1.100 1.100 peak 233 spectrum 1 weight 0.10000E+01 volume 0.52740E-02 ppm1 7.218 ppm2 4.016 CV 1
ASSI { 234}
( segid "PAH3" and resid 508 and name HD% )
(( segid "PAH3" and resid 475 and name HA ))
3.400 1.500 1.500 peak 234 spectrum 1 weight 0.10000E+01 volume 0.17049E-02 ppm1 7.216 ppm2 4.137 CV 1
OR { 234}
( segid "PAH3" and resid 512 and name HD% )
(( segid "PAH3" and resid 475 and name HA ))
ASSI { 235}
( segid "PAH3" and resid 512 and name HE% )
(( segid "PAH3" and resid 475 and name HA ))
3.500 1.600 1.600 peak 235 spectrum 1 weight 0.10000E+01 volume 0.11209E-02 ppm1 7.278 ppm2 4.136 CV 1
ASSI { 236}
(( segid "PAH3" and resid 491 and name HZ ))
(( segid "PAH3" and resid 498 and name HA ))
3.200 1.300 1.300 peak 236 spectrum 1 weight 0.10000E+01 volume 0.33744E-02 ppm1 7.249 ppm2 4.017 CV 1
OR { 236}
(( segid "PAH3" and resid 518 and name HD1 ))
(( segid "PAH3" and resid 518 and name HA ))
ASSI { 237}
( segid "PAH3" and resid 491 and name HE% )
(( segid "PAH3" and resid 498 and name HA ))
3.500 1.500 1.500 peak 237 spectrum 1 weight 0.10000E+01 volume 0.11209E-02 ppm1 7.133 ppm2 4.014 CV 1
ASSI { 238}
(( segid "PAH3" and resid 491 and name HZ ))
(( segid "PAH3" and resid 498 and name HG1 ))
3.300 1.400 1.400 peak 238 spectrum 1 weight 0.10000E+01 volume 0.16341E-02 ppm1 7.249 ppm2 2.254 CV 1
OR { 238}
(( segid "PAH3" and resid 491 and name HZ ))
(( segid "PAH3" and resid 501 and name HB1 ))
ASSI { 239}
(( segid "PAH3" and resid 491 and name HZ ))
(( segid "PAH3" and resid 498 and name HG2 ))
3.300 1.300 1.300 peak 239 spectrum 1 weight 0.10000E+01 volume 0.20765E-02 ppm1 7.249 ppm2 1.729 CV 1
OR { 239}
( segid "PAH3" and resid 508 and name HD% )
(( segid "PAH3" and resid 475 and name HB1 ))
OR { 239}
(( segid "PAH3" and resid 518 and name HD1 ))
(( segid "PAH3" and resid 466 and name HB1 ))
ASSI { 240}
( segid "PAH3" and resid 491 and name HE% )
(( segid "PAH3" and resid 501 and name HB1 ))
4.100 2.100 1.900 peak 240 spectrum 1 weight 0.10000E+01 volume 0.80820E-03 ppm1 7.136 ppm2 2.257 CV 1
OR { 240}
( segid "PAH3" and resid 491 and name HE% )
(( segid "PAH3" and resid 498 and name HG1 ))
ASSI { 241}
( segid "PAH3" and resid 491 and name HE% )
(( segid "PAH3" and resid 498 and name HG2 ))
4.500 2.500 1.500 peak 241 spectrum 1 weight 0.10000E+01 volume 0.79640E-03 ppm1 7.137 ppm2 1.731 CV 1
OR { 241}
( segid "PAH3" and resid 491 and name HE% )
(( segid "PAH3" and resid 500 and name HB2 ))
ASSI { 242}
( segid "PAH3" and resid 468 and name HE% )
( segid "PAH3" and resid 484 and name HD% )
3.400 1.400 1.400 peak 242 spectrum 1 weight 0.10000E+01 volume 0.30499E-02 ppm1 7.441 ppm2 6.831 CV 1
OR { 242}
( segid "PAH3" and resid 468 and name HE% )
( segid "PAH3" and resid 522 and name HD% )
ASSI { 243}
( segid "PAH3" and resid 468 and name HE% )
( segid "PAH3" and resid 484 and name HE% )
2.500 0.800 0.800 peak 243 spectrum 1 weight 0.10000E+01 volume 0.91439E-02 ppm1 7.439 ppm2 6.947 CV 1
ASSI { 244}
( segid "PAH3" and resid 519 and name HD% )
( segid "PAH3" and resid 522 and name HD% )
3.000 1.100 1.100 peak 244 spectrum 1 weight 0.10000E+01 volume 0.35219E-02 ppm1 7.311 ppm2 6.818 CV 1
ASSI { 245}
( segid "PAH3" and resid 508 and name HE% )
( segid "PAH3" and resid 508 and name HD% )
1.800 0.400 0.400 peak 245 spectrum 1 weight 0.10000E+01 volume 0.42239E-01 ppm1 7.438 ppm2 7.229 CV 1
ASSI { 246}
( segid "PAH3" and resid 508 and name HE% )
(( segid "PAH3" and resid 508 and name HZ ))
2.100 0.500 0.500 peak 246 spectrum 1 weight 0.10000E+01 volume 0.21591E-01 ppm1 7.440 ppm2 7.156 CV 1
ASSI { 247}
( segid "PAH3" and resid 516 and name HD% )
( segid "PAH3" and resid 516 and name HE% )
2.000 0.500 0.500 peak 247 spectrum 1 weight 0.10000E+01 volume 0.33154E-01 ppm1 7.487 ppm2 7.362 CV 1
ASSI { 248}
( segid "PAH3" and resid 468 and name HD% )
( segid "PAH3" and resid 468 and name HE% )
2.000 0.500 0.500 peak 248 spectrum 1 weight 0.10000E+01 volume 0.25308E-01 ppm1 7.585 ppm2 7.438 CV 1
ASSI { 249}
( segid "PAH3" and resid 512 and name HE% )
( segid "PAH3" and resid 512 and name HD% )
1.600 0.300 0.600 peak 249 spectrum 1 weight 0.10000E+01 volume 0.10206E+00 ppm1 7.275 ppm2 7.213 CV 1
ASSI { 250}
(( segid "PAH3" and resid 522 and name HZ ))
( segid "PAH3" and resid 522 and name HD% )
3.100 1.200 1.200 peak 250 spectrum 1 weight 0.10000E+01 volume 0.53035E-02 ppm1 7.235 ppm2 6.825 CV 1
ASSI { 251}
( segid "PAH3" and resid 467 and name HE% )
(( segid "PAH3" and resid 467 and name HZ ))
2.200 0.600 0.600 peak 251 spectrum 1 weight 0.10000E+01 volume 0.15397E-01 ppm1 7.159 ppm2 6.945 CV 1
OR { 251}
( segid "PAH3" and resid 467 and name HE% )
( segid "PAH3" and resid 484 and name HE% )
ASSI { 252}
( segid "PAH3" and resid 468 and name HE% )
( segid "PAH3" and resid 467 and name HD% )
3.200 1.300 1.300 peak 252 spectrum 1 weight 0.10000E+01 volume 0.19586E-02 ppm1 7.441 ppm2 5.889 CV 1
ASSI { 253}
( segid "PAH3" and resid 491 and name HD% )
(( segid "PAH3" and resid 491 and name HB2 ))
3.300 1.300 1.300 peak 253 spectrum 1 weight 0.10000E+01 volume 0.18052E-02 ppm1 7.443 ppm2 3.115 CV 1
OR { 253}
( segid "PAH3" and resid 508 and name HE% )
(( segid "PAH3" and resid 483 and name HB1 ))
ASSI { 254}
( segid "PAH3" and resid 468 and name HD% )
( segid "PAH3" and resid 467 and name HE% )
3.400 1.500 1.500 peak 254 spectrum 1 weight 0.10000E+01 volume 0.15574E-02 ppm1 7.583 ppm2 7.164 CV 1
ASSI { 255}
(( segid "PAH3" and resid 518 and name HZ2 ))
( segid "PAH3" and resid 467 and name HD% )
3.600 1.600 1.600 peak 255 spectrum 1 weight 0.10000E+01 volume 0.22122E-02 ppm1 7.053 ppm2 5.892 CV 1
ASSI { 256}
( segid "PAH3" and resid 508 and name HD% )
(( segid "PAH3" and resid 507 and name HD2 ))
2.800 1.000 1.000 peak 256 spectrum 1 weight 0.10000E+01 volume 0.27845E-02 ppm1 7.212 ppm2 3.691 CV 1
ASSI { 257}
( segid "PAH3" and resid 467 and name HE% )
(( segid "PAH3" and resid 519 and name HB2 ))
3.300 1.300 1.300 peak 257 spectrum 1 weight 0.10000E+01 volume 0.15751E-02 ppm1 7.158 ppm2 3.627 CV 1
OR { 257}
( segid "PAH3" and resid 467 and name HE% )
(( segid "PAH3" and resid 519 and name HB1 ))
OR { 257}
( segid "PAH3" and resid 467 and name HE% )
(( segid "PAH3" and resid 518 and name HB1 ))
ASSI { 258}
( segid "PAH3" and resid 467 and name HE% )
(( segid "PAH3" and resid 468 and name HA ))
3.700 1.700 1.700 peak 258 spectrum 1 weight 0.10000E+01 volume 0.10442E-02 ppm1 7.160 ppm2 3.692 CV 1
OR { 258}
( segid "PAH3" and resid 491 and name HE% )
(( segid "PAH3" and resid 523 and name HA ))
ASSI { 259}
( segid "PAH3" and resid 522 and name HE% )
(( segid "PAH3" and resid 522 and name HA ))
3.600 1.600 1.600 peak 259 spectrum 1 weight 0.10000E+01 volume 0.49613E-03 ppm1 7.105 ppm2 3.816 CV 1
ASSI { 260}
( segid "PAH3" and resid 491 and name HE% )
(( segid "PAH3" and resid 491 and name HB1 ))
4.500 2.600 1.500 peak 260 spectrum 1 weight 0.10000E+01 volume 0.74921E-03 ppm1 7.163 ppm2 3.530 CV 1
OR { 260}
( segid "PAH3" and resid 467 and name HE% )
(( segid "PAH3" and resid 467 and name HA ))
ASSI { 261}
( segid "PAH3" and resid 484 and name HD% )
( segid "PAH3" and resid 488 and name HD1%)
4.200 2.200 1.800 peak 261 spectrum 1 weight 0.10000E+01 volume 0.56220E-03 ppm1 6.831 ppm2 0.231 CV 1
ASSI { 262}
(( segid "PAH3" and resid 518 and name HE3 ))
(( segid "PAH3" and resid 519 and name HB2 ))
5.000 3.100 1.000 peak 262 spectrum 1 weight 0.10000E+01 volume 0.35632E-03 ppm1 6.164 ppm2 3.608 CV 1
OR { 262}
(( segid "PAH3" and resid 518 and name HE3 ))
(( segid "PAH3" and resid 519 and name HB1 ))
ASSI { 263}
(( segid "PAH3" and resid 518 and name HE3 ))
(( segid "PAH3" and resid 518 and name HH2 ))
4.900 3.000 1.100 peak 263 spectrum 1 weight 0.10000E+01 volume 0.39584E-03 ppm1 6.167 ppm2 5.952 CV 1
ASSI { 264}
(( segid "PAH3" and resid 518 and name HE3 ))
( segid "PAH3" and resid 519 and name HD% )
4.000 2.000 2.000 peak 264 spectrum 1 weight 0.10000E+01 volume 0.14040E-02 ppm1 6.163 ppm2 7.301 CV 1
ASSI { 265}
(( segid "PAH3" and resid 518 and name HE3 ))
(( segid "PAH3" and resid 467 and name HZ ))
4.200 2.200 1.800 peak 265 spectrum 1 weight 0.10000E+01 volume 0.67252E-03 ppm1 6.164 ppm2 6.941 CV 1
ASSI { 266}
(( segid "PAH3" and resid 518 and name HE3 ))
( segid "PAH3" and resid 467 and name HE% )
3.900 1.900 1.900 peak 266 spectrum 1 weight 0.10000E+01 volume 0.68432E-03 ppm1 6.169 ppm2 7.155 CV 1
ASSI { 267}
(( segid "PAH3" and resid 518 and name HE3 ))
( segid "PAH3" and resid 522 and name HD% )
4.900 3.000 1.100 peak 267 spectrum 1 weight 0.10000E+01 volume 0.40233E-03 ppm1 6.158 ppm2 6.820 CV 1
ASSI { 268}
(( segid "PAH3" and resid 518 and name HE3 ))
(( segid "PAH3" and resid 518 and name HD1 ))
3.800 1.800 1.800 peak 268 spectrum 1 weight 0.10000E+01 volume 0.38581E-03 ppm1 6.160 ppm2 7.214 CV 1
ASSI { 269}
(( segid "PAH3" and resid 468 and name HZ ))
( segid "PAH3" and resid 484 and name HE% )
3.900 1.900 1.900 peak 269 spectrum 1 weight 0.10000E+01 volume 0.19291E-02 ppm1 7.527 ppm2 6.945 CV 1
ASSI { 272}
(( segid "PAH3" and resid 508 and name HZ ))
( segid "PAH3" and resid 508 and name HE% )
2.200 0.600 0.600 peak 272 spectrum 1 weight 0.10000E+01 volume 0.17993E-01 ppm1 7.149 ppm2 7.436 CV 1
ASSI { 273}
( segid "PAH3" and resid 484 and name HD% )
( segid "PAH3" and resid 484 and name HE% )
1.900 0.400 0.400 peak 273 spectrum 1 weight 0.10000E+01 volume 0.38050E-01 ppm1 6.831 ppm2 6.947 CV 1
ASSI { 274}
( segid "PAH3" and resid 481 and name HE% )
( segid "PAH3" and resid 481 and name HD% )
2.000 0.500 0.500 peak 274 spectrum 1 weight 0.10000E+01 volume 0.27196E-01 ppm1 6.705 ppm2 6.929 CV 1
ASSI { 276}
( segid "PAH3" and resid 522 and name HD% )
(( segid "PAH3" and resid 522 and name HZ ))
3.200 1.200 1.200 peak 276 spectrum 1 weight 0.10000E+01 volume 0.49436E-02 ppm1 6.820 ppm2 7.233 CV 1
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