NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
11832 |
1s5q   |
4635 | cing | 1-original | 3 | XPLOR/CNS | distance | NOE | ambi |
ASSI { 5}
(( segid "PAH " and resid 335 and name HB1 ))
( segid "PAH " and resid 335 and name HD% )
2.400 0.700 0.700 peak 5 spectrum 1 weight 0.10000E+01 volume 0.40730E-02 ppm1 6.961 ppm2 3.252 CV 1
ASSI { 6}
(( segid "PAH " and resid 335 and name HB2 ))
( segid "PAH " and resid 335 and name HD% )
2.200 0.600 0.600 peak 6 spectrum 1 weight 0.10000E+01 volume 0.75792E-02 ppm1 6.960 ppm2 2.988 CV 1
ASSI { 7}
(( segid "PAH " and resid 336 and name HA ))
( segid "PAH " and resid 335 and name HD% )
2.900 1.100 1.100 peak 7 spectrum 1 weight 0.10000E+01 volume 0.14333E-02 ppm1 6.963 ppm2 3.893 CV 1
ASSI { 9}
( segid "SID " and resid 9 and name HG2%)
( segid "PAH " and resid 335 and name HD% )
2.700 0.900 0.900 peak 9 spectrum 1 weight 0.10000E+01 volume 0.20972E-02 ppm1 6.964 ppm2 1.002 CV 1
ASSI { 11}
( segid "PAH " and resid 353 and name HD1%)
( segid "PAH " and resid 335 and name HD% )
3.000 1.200 1.200 peak 11 spectrum 1 weight 0.10000E+01 volume 0.13928E-02 ppm1 6.965 ppm2 0.930 CV 1
OR { 11}
( segid "PAH " and resid 353 and name HD2%)
( segid "PAH " and resid 335 and name HD% )
ASSI { 14}
(( segid "PAH " and resid 310 and name HB1 ))
( segid "PAH " and resid 310 and name HD% )
2.500 0.800 0.800 peak 14 spectrum 1 weight 0.10000E+01 volume 0.31904E-02 ppm1 6.972 ppm2 3.386 CV 1
ASSI { 15}
(( segid "PAH " and resid 342 and name HA ))
( segid "PAH " and resid 349 and name HD% )
2.800 1.000 1.000 peak 15 spectrum 1 weight 0.10000E+01 volume 0.21134E-02 ppm1 6.943 ppm2 3.947 CV 1
ASSI { 16}
(( segid "PAH " and resid 349 and name HA ))
( segid "PAH " and resid 349 and name HD% )
2.500 0.800 0.800 peak 16 spectrum 1 weight 0.10000E+01 volume 0.39839E-02 ppm1 6.948 ppm2 4.532 CV 1
ASSI { 17}
(( segid "PAH " and resid 310 and name HB2 ))
( segid "PAH " and resid 310 and name HD% )
2.400 0.700 0.700 peak 17 spectrum 1 weight 0.10000E+01 volume 0.54172E-02 ppm1 6.973 ppm2 2.929 CV 1
ASSI { 18}
( segid "SID " and resid 12 and name HD2%)
( segid "PAH " and resid 310 and name HD% )
2.500 0.800 0.800 peak 18 spectrum 1 weight 0.10000E+01 volume 0.31499E-02 ppm1 6.972 ppm2 0.378 CV 1
ASSI { 20}
(( segid "PAH " and resid 349 and name HB2 ))
( segid "PAH " and resid 349 and name HD% )
2.400 0.700 0.700 peak 20 spectrum 1 weight 0.10000E+01 volume 0.47937E-02 ppm1 6.943 ppm2 2.792 CV 1
ASSI { 23}
( segid "PAH " and resid 311 and name HG1%)
( segid "PAH " and resid 310 and name HD% )
3.500 1.600 1.600 peak 23 spectrum 1 weight 0.10000E+01 volume 0.86645E-03 ppm1 6.981 ppm2 1.236 CV 1
ASSI { 31}
( segid "PAH " and resid 349 and name HE% )
( segid "PAH " and resid 349 and name HD% )
1.800 0.400 0.400 peak 31 spectrum 1 weight 0.10000E+01 volume 0.24616E-01 ppm1 6.946 ppm2 6.835 CV 1
ASSI { 35}
( segid "PAH " and resid 363 and name HB% )
( segid "PAH " and resid 359 and name HD% )
3.400 1.500 1.500 peak 35 spectrum 1 weight 0.10000E+01 volume 0.58625E-03 ppm1 7.126 ppm2 1.264 CV 1
ASSI { 36}
( segid "PAH " and resid 360 and name HB% )
( segid "PAH " and resid 359 and name HD% )
3.600 1.600 1.600 peak 36 spectrum 1 weight 0.10000E+01 volume 0.54738E-03 ppm1 7.126 ppm2 1.562 CV 1
ASSI { 37}
(( segid "PAH " and resid 359 and name HB2 ))
( segid "PAH " and resid 359 and name HD% )
2.600 0.900 0.900 peak 37 spectrum 1 weight 0.10000E+01 volume 0.29313E-02 ppm1 7.129 ppm2 3.061 CV 1
ASSI { 38}
(( segid "PAH " and resid 359 and name HB1 ))
( segid "PAH " and resid 359 and name HD% )
2.700 0.900 0.900 peak 38 spectrum 1 weight 0.10000E+01 volume 0.21054E-02 ppm1 7.128 ppm2 3.255 CV 1
ASSI { 42}
(( segid "PAH " and resid 325 and name HA ))
( segid "PAH " and resid 325 and name HD% )
2.500 0.800 0.800 peak 42 spectrum 1 weight 0.10000E+01 volume 0.38139E-02 ppm1 7.067 ppm2 4.185 CV 1
ASSI { 43}
(( segid "PAH " and resid 325 and name HB1 ))
( segid "PAH " and resid 325 and name HD% )
2.100 0.600 0.600 peak 43 spectrum 1 weight 0.10000E+01 volume 0.85830E-02 ppm1 7.071 ppm2 3.167 CV 1
ASSI { 44}
( segid "PAH " and resid 314 and name HG2%)
( segid "PAH " and resid 325 and name HD% )
2.400 0.700 0.700 peak 44 spectrum 1 weight 0.10000E+01 volume 0.47451E-02 ppm1 7.066 ppm2 0.797 CV 1
ASSI { 47}
( segid "PAH " and resid 329 and name HD1%)
( segid "PAH " and resid 325 and name HD% )
3.300 1.400 1.400 peak 47 spectrum 1 weight 0.10000E+01 volume 0.78789E-03 ppm1 7.068 ppm2 0.636 CV 1
ASSI { 53}
( segid "SID " and resid 12 and name HD1%)
( segid "PAH " and resid 379 and name HD% )
4.000 2.000 2.000 peak 53 spectrum 1 weight 0.10000E+01 volume 0.23239E-03 ppm1 7.216 ppm2 0.812 CV 1
ASSI { 56}
(( segid "PAH " and resid 314 and name HA ))
( segid "PAH " and resid 318 and name HD% )
3.500 1.500 1.500 peak 56 spectrum 1 weight 0.10000E+01 volume 0.52147E-03 ppm1 7.315 ppm2 3.130 CV 1
ASSI { 57}
(( segid "PAH " and resid 318 and name HB2 ))
( segid "PAH " and resid 318 and name HD% )
2.700 0.900 0.900 peak 57 spectrum 1 weight 0.10000E+01 volume 0.21215E-02 ppm1 7.314 ppm2 2.474 CV 1
ASSI { 58}
(( segid "PAH " and resid 321 and name HB1 ))
( segid "PAH " and resid 318 and name HD% )
3.400 1.400 1.400 peak 58 spectrum 1 weight 0.10000E+01 volume 0.87453E-03 ppm1 7.314 ppm2 2.385 CV 1
OR { 58}
(( segid "PAH " and resid 321 and name HG2 ))
( segid "PAH " and resid 318 and name HD% )
ASSI { 67}
( segid "SID " and resid 12 and name HD2%)
( segid "PAH " and resid 379 and name HE% )
3.600 1.700 1.700 peak 67 spectrum 1 weight 0.10000E+01 volume 0.41620E-03 ppm1 6.808 ppm2 0.393 CV 1
ASSI { 71}
( segid "PAH " and resid 362 and name HG2%)
( segid "PAH " and resid 328 and name HD% )
3.700 1.700 1.700 peak 71 spectrum 1 weight 0.10000E+01 volume 0.36681E-03 ppm1 6.842 ppm2 -0.327 CV 1
ASSI { 72}
(( segid "PAH " and resid 329 and name HG ))
( segid "PAH " and resid 328 and name HD% )
3.700 1.700 1.700 peak 72 spectrum 1 weight 0.10000E+01 volume 0.37491E-03 ppm1 6.837 ppm2 1.358 CV 1
ASSI { 76}
(( segid "PAH " and resid 376 and name HA ))
( segid "PAH " and resid 376 and name HD% )
2.700 0.900 0.900 peak 76 spectrum 1 weight 0.10000E+01 volume 0.24940E-02 ppm1 7.412 ppm2 4.374 CV 1
ASSI { 78}
(( segid "PAH " and resid 376 and name HB2 ))
( segid "PAH " and resid 376 and name HD% )
2.700 0.900 0.900 peak 78 spectrum 1 weight 0.10000E+01 volume 0.21944E-02 ppm1 7.415 ppm2 3.365 CV 1
ASSI { 80}
( segid "PAH " and resid 362 and name HG2%)
( segid "PAH " and resid 376 and name HD% )
3.600 1.600 1.600 peak 80 spectrum 1 weight 0.10000E+01 volume 0.46560E-03 ppm1 7.417 ppm2 -0.315 CV 1
ASSI { 85}
(( segid "PAH " and resid 304 and name HB2 ))
( segid "PAH " and resid 304 and name HD% )
3.000 1.100 1.100 peak 85 spectrum 1 weight 0.10000E+01 volume 0.16599E-02 ppm1 7.170 ppm2 3.046 CV 1
ASSI { 88}
( segid "PAH " and resid 308 and name HD1%)
( segid "PAH " and resid 304 and name HD% )
3.900 1.900 1.900 peak 88 spectrum 1 weight 0.10000E+01 volume 0.31661E-03 ppm1 7.173 ppm2 0.495 CV 1
ASSI { 91}
(( segid "SID " and resid 14 and name HB1 ))
( segid "PAH " and resid 304 and name HE% )
3.400 1.500 1.500 peak 91 spectrum 1 weight 0.10000E+01 volume 0.51661E-03 ppm1 7.052 ppm2 2.406 CV 1
ASSI { 93}
( segid "SID " and resid 15 and name HB% )
( segid "PAH " and resid 304 and name HE% )
4.300 2.300 1.700 peak 93 spectrum 1 weight 0.10000E+01 volume 0.17733E-03 ppm1 7.050 ppm2 1.309 CV 1
ASSI { 102}
( segid "PAH " and resid 324 and name HG2%)
( segid "PAH " and resid 318 and name HE% )
3.400 1.500 1.500 peak 102 spectrum 1 weight 0.10000E+01 volume 0.60569E-03 ppm1 6.941 ppm2 0.000 CV 1
ASSI { 108}
(( segid "PAH " and resid 314 and name HG12))
( segid "PAH " and resid 318 and name HE% )
4.400 2.400 1.600 peak 108 spectrum 1 weight 0.10000E+01 volume 0.18948E-03 ppm1 6.923 ppm2 0.310 CV 1
ASSI { 111}
(( segid "PAH " and resid 359 and name HA ))
( segid "PAH " and resid 376 and name HE% )
3.000 1.100 1.100 peak 111 spectrum 1 weight 0.10000E+01 volume 0.12794E-02 ppm1 7.099 ppm2 3.897 CV 1
ASSI { 113}
( segid "PAH " and resid 332 and name HD1%)
( segid "PAH " and resid 376 and name HE% )
2.800 1.000 1.000 peak 113 spectrum 1 weight 0.10000E+01 volume 0.19110E-02 ppm1 7.107 ppm2 0.560 CV 1
ASSI { 117}
( segid "PAH " and resid 324 and name HG2%)
( segid "PAH " and resid 366 and name HE% )
3.100 1.200 1.200 peak 117 spectrum 1 weight 0.10000E+01 volume 0.10527E-02 ppm1 6.694 ppm2 0.010 CV 1
ASSI { 120}
( segid "SID " and resid 12 and name HD1%)
(( segid "PAH " and resid 328 and name HZ ))
3.400 1.400 1.400 peak 120 spectrum 1 weight 0.10000E+01 volume 0.67775E-03 ppm1 7.188 ppm2 0.815 CV 1
ASSI { 125}
(( segid "PAH " and resid 373 and name HA ))
( segid "PAH " and resid 366 and name HD% )
3.100 1.200 1.200 peak 125 spectrum 1 weight 0.10000E+01 volume 0.11174E-02 ppm1 6.626 ppm2 4.429 CV 1
ASSI { 127}
(( segid "PAH " and resid 366 and name HB2 ))
( segid "PAH " and resid 366 and name HD% )
2.800 1.000 1.000 peak 127 spectrum 1 weight 0.10000E+01 volume 0.14737E-02 ppm1 6.629 ppm2 2.942 CV 1
ASSI { 128}
(( segid "PAH " and resid 373 and name HB2 ))
( segid "PAH " and resid 366 and name HD% )
3.300 1.400 1.400 peak 128 spectrum 1 weight 0.10000E+01 volume 0.71662E-03 ppm1 6.627 ppm2 1.722 CV 1
ASSI { 129}
(( segid "PAH " and resid 372 and name HB1 ))
( segid "PAH " and resid 366 and name HD% )
3.300 1.300 1.300 peak 129 spectrum 1 weight 0.10000E+01 volume 0.78301E-03 ppm1 6.629 ppm2 1.653 CV 1
ASSI { 130}
(( segid "PAH " and resid 365 and name HB2 ))
( segid "PAH " and resid 366 and name HD% )
3.200 1.300 1.300 peak 130 spectrum 1 weight 0.10000E+01 volume 0.79356E-03 ppm1 6.625 ppm2 1.317 CV 1
ASSI { 137}
(( segid "SID " and resid 15 and name HA ))
(( segid "PAH " and resid 304 and name HZ ))
3.100 1.200 1.200 peak 137 spectrum 1 weight 0.10000E+01 volume 0.11984E-02 ppm1 6.846 ppm2 4.109 CV 1
ASSI { 138}
(( segid "SID " and resid 18 and name HB1 ))
(( segid "PAH " and resid 304 and name HZ ))
3.700 1.800 1.800 peak 138 spectrum 1 weight 0.10000E+01 volume 0.38949E-03 ppm1 6.844 ppm2 3.521 CV 1
ASSI { 139}
(( segid "SID " and resid 18 and name HB2 ))
(( segid "PAH " and resid 304 and name HZ ))
3.600 1.600 1.600 peak 139 spectrum 1 weight 0.10000E+01 volume 0.50285E-03 ppm1 6.846 ppm2 3.426 CV 1
ASSI { 146}
( segid "SID " and resid 9 and name HD1%)
(( segid "PAH " and resid 376 and name HZ ))
3.100 1.200 1.200 peak 146 spectrum 1 weight 0.10000E+01 volume 0.10527E-02 ppm1 6.835 ppm2 0.616 CV 1
ASSI { 147}
( segid "PAH " and resid 332 and name HD1%)
(( segid "PAH " and resid 376 and name HZ ))
3.300 1.400 1.400 peak 147 spectrum 1 weight 0.10000E+01 volume 0.11417E-02 ppm1 6.836 ppm2 0.569 CV 1
ASSI { 148}
( segid "PAH " and resid 308 and name HD1%)
(( segid "PAH " and resid 304 and name HZ ))
3.100 1.200 1.200 peak 148 spectrum 1 weight 0.10000E+01 volume 0.12308E-02 ppm1 6.836 ppm2 0.507 CV 1
ASSI { 149}
(( segid "PAH " and resid 369 and name HG2 ))
(( segid "PAH " and resid 318 and name HZ ))
3.300 1.400 1.400 peak 149 spectrum 1 weight 0.10000E+01 volume 0.84216E-03 ppm1 6.885 ppm2 2.288 CV 1
ASSI { 150}
(( segid "PAH " and resid 318 and name HB2 ))
(( segid "PAH " and resid 318 and name HZ ))
4.200 2.200 1.800 peak 150 spectrum 1 weight 0.10000E+01 volume 0.29880E-03 ppm1 6.884 ppm2 2.480 CV 1
ASSI { 155}
(( segid "PAH " and resid 307 and name HA ))
(( segid "PAH " and resid 379 and name HZ ))
3.100 1.200 1.200 peak 155 spectrum 1 weight 0.10000E+01 volume 0.11256E-02 ppm1 6.618 ppm2 4.159 CV 1
ASSI { 157}
( segid "SID " and resid 12 and name HD2%)
(( segid "PAH " and resid 379 and name HZ ))
4.000 2.000 2.000 peak 157 spectrum 1 weight 0.10000E+01 volume 0.25750E-03 ppm1 6.625 ppm2 0.382 CV 1
ASSI { 160}
(( segid "PAH " and resid 333 and name HA ))
(( segid "PAH " and resid 333 and name HD2 ))
3.500 1.600 1.600 peak 160 spectrum 1 weight 0.10000E+01 volume 0.56763E-03 ppm1 7.191 ppm2 4.270 CV 1
ASSI { 161}
(( segid "PAH " and resid 330 and name HA ))
(( segid "PAH " and resid 333 and name HD2 ))
4.300 2.300 1.700 peak 161 spectrum 1 weight 0.10000E+01 volume 0.21539E-03 ppm1 7.191 ppm2 4.124 CV 1
ASSI { 162}
(( segid "PAH " and resid 329 and name HA ))
(( segid "PAH " and resid 333 and name HD2 ))
3.700 1.700 1.700 peak 162 spectrum 1 weight 0.10000E+01 volume 0.40325E-03 ppm1 7.179 ppm2 3.459 CV 1
ASSI { 163}
(( segid "PAH " and resid 333 and name HB1 ))
(( segid "PAH " and resid 333 and name HD2 ))
4.100 2.100 1.900 peak 163 spectrum 1 weight 0.10000E+01 volume 0.34657E-03 ppm1 7.184 ppm2 3.337 CV 1
ASSI { 164}
(( segid "PAH " and resid 333 and name HB2 ))
(( segid "PAH " and resid 333 and name HD2 ))
3.800 1.800 1.800 peak 164 spectrum 1 weight 0.10000E+01 volume 0.30284E-03 ppm1 7.192 ppm2 3.258 CV 1
ASSI { 165}
(( segid "PAH " and resid 329 and name HB2 ))
(( segid "PAH " and resid 333 and name HD2 ))
5.200 3.300 0.800 peak 165 spectrum 1 weight 0.10000E+01 volume 0.12470E-03 ppm1 7.183 ppm2 1.120 CV 1
ASSI { 167}
( segid "SID " and resid 13 and name HD2%)
(( segid "PAH " and resid 333 and name HD2 ))
3.400 1.400 1.400 peak 167 spectrum 1 weight 0.10000E+01 volume 0.70367E-03 ppm1 7.190 ppm2 0.532 CV 1
ASSI { 169}
(( segid "PAH " and resid 306 and name HB1 ))
(( segid "PAH " and resid 306 and name HD2 ))
3.800 1.800 1.800 peak 169 spectrum 1 weight 0.10000E+01 volume 0.36277E-03 ppm1 7.373 ppm2 3.538 CV 1
ASSI { 170}
(( segid "PAH " and resid 306 and name HB2 ))
(( segid "PAH " and resid 306 and name HD2 ))
3.700 1.700 1.700 peak 170 spectrum 1 weight 0.10000E+01 volume 0.46155E-03 ppm1 7.375 ppm2 3.416 CV 1
ASSI { 171}
(( segid "PAH " and resid 351 and name HA ))
( segid "PAH " and resid 349 and name HE% )
2.400 0.700 0.700 peak 171 spectrum 1 weight 0.10000E+01 volume 0.42269E-02 ppm1 6.839 ppm2 4.402 CV 1
ASSI { 172}
(( segid "PAH " and resid 338 and name HA ))
( segid "PAH " and resid 349 and name HE% )
3.500 1.500 1.500 peak 172 spectrum 1 weight 0.10000E+01 volume 0.59921E-03 ppm1 6.842 ppm2 4.178 CV 1
ASSI { 173}
(( segid "PAH " and resid 342 and name HA ))
( segid "PAH " and resid 349 and name HE% )
3.700 1.700 1.700 peak 173 spectrum 1 weight 0.10000E+01 volume 0.51904E-03 ppm1 6.845 ppm2 3.943 CV 1
ASSI { 174}
(( segid "PAH " and resid 349 and name HB1 ))
( segid "PAH " and resid 349 and name HE% )
4.400 2.400 1.600 peak 174 spectrum 1 weight 0.10000E+01 volume 0.34495E-03 ppm1 6.848 ppm2 2.964 CV 1
ASSI { 177}
(( segid "PAH " and resid 351 and name HB1 ))
( segid "PAH " and resid 349 and name HE% )
3.100 1.200 1.200 peak 177 spectrum 1 weight 0.10000E+01 volume 0.11256E-02 ppm1 6.846 ppm2 2.331 CV 1
ASSI { 178}
(( segid "PAH " and resid 338 and name HB2 ))
( segid "PAH " and resid 349 and name HE% )
3.500 1.600 1.600 peak 178 spectrum 1 weight 0.10000E+01 volume 0.56763E-03 ppm1 6.845 ppm2 2.255 CV 1
OR { 178}
(( segid "PAH " and resid 338 and name HB1 ))
( segid "PAH " and resid 349 and name HE% )
ASSI { 186}
(( segid "PAH " and resid 354 and name HA ))
( segid "PAH " and resid 335 and name HE% )
3.400 1.400 1.400 peak 186 spectrum 1 weight 0.10000E+01 volume 0.69556E-03 ppm1 6.767 ppm2 4.754 CV 1
ASSI { 187}
(( segid "PAH " and resid 372 and name HA ))
( segid "PAH " and resid 310 and name HE% )
2.400 0.700 0.700 peak 187 spectrum 1 weight 0.10000E+01 volume 0.39191E-02 ppm1 6.793 ppm2 4.370 CV 1
ASSI { 189}
(( segid "PAH " and resid 355 and name HA ))
( segid "PAH " and resid 335 and name HE% )
3.300 1.400 1.400 peak 189 spectrum 1 weight 0.10000E+01 volume 0.73202E-03 ppm1 6.766 ppm2 3.729 CV 1
ASSI { 191}
(( segid "SID " and resid 6 and name HD1 ))
( segid "PAH " and resid 335 and name HE% )
3.200 1.300 1.300 peak 191 spectrum 1 weight 0.10000E+01 volume 0.93119E-03 ppm1 6.765 ppm2 3.198 CV 1
OR { 191}
(( segid "SID " and resid 6 and name HD2 ))
( segid "PAH " and resid 335 and name HE% )
ASSI { 193}
(( segid "PAH " and resid 355 and name HG1 ))
( segid "PAH " and resid 335 and name HE% )
3.100 1.200 1.200 peak 193 spectrum 1 weight 0.10000E+01 volume 0.13279E-02 ppm1 6.763 ppm2 2.458 CV 1
ASSI { 199}
(( segid "PAH " and resid 315 and name HD1 ))
( segid "PAH " and resid 325 and name HE% )
2.900 1.000 1.000 peak 199 spectrum 1 weight 0.10000E+01 volume 0.17814E-02 ppm1 6.759 ppm2 1.444 CV 1
OR { 199}
(( segid "PAH " and resid 315 and name HD2 ))
( segid "PAH " and resid 325 and name HE% )
ASSI { 207}
( segid "SID " and resid 12 and name HD2%)
( segid "PAH " and resid 310 and name HE% )
3.500 1.500 1.500 peak 207 spectrum 1 weight 0.10000E+01 volume 0.88260E-03 ppm1 6.788 ppm2 0.373 CV 1
ASSI { 210}
( segid "SID " and resid 12 and name HD1%)
( segid "PAH " and resid 310 and name HE% )
2.800 1.000 1.000 peak 210 spectrum 1 weight 0.10000E+01 volume 0.20000E-02 ppm1 6.796 ppm2 0.806 CV 1
ASSI { 211}
(( segid "PAH " and resid 372 and name HB2 ))
( segid "PAH " and resid 310 and name HE% )
4.000 2.000 2.000 peak 211 spectrum 1 weight 0.10000E+01 volume 0.63969E-03 ppm1 6.786 ppm2 0.968 CV 1
ASSI { 212}
(( segid "PAH " and resid 375 and name HB2 ))
( segid "PAH " and resid 310 and name HE% )
2.500 0.800 0.800 peak 212 spectrum 1 weight 0.10000E+01 volume 0.32714E-02 ppm1 6.793 ppm2 1.958 CV 1
ASSI { 213}
(( segid "PAH " and resid 375 and name HB1 ))
( segid "PAH " and resid 310 and name HE% )
2.700 0.900 0.900 peak 213 spectrum 1 weight 0.10000E+01 volume 0.32147E-02 ppm1 6.795 ppm2 2.129 CV 1
ASSI { 217}
( segid "PAH " and resid 363 and name HB% )
( segid "PAH " and resid 359 and name HE% )
3.100 1.200 1.200 peak 217 spectrum 1 weight 0.10000E+01 volume 0.11013E-02 ppm1 6.880 ppm2 1.261 CV 1
ASSI { 219}
( segid "PAH " and resid 373 and name HD2%)
( segid "PAH " and resid 359 and name HE% )
2.800 1.000 1.000 peak 219 spectrum 1 weight 0.10000E+01 volume 0.20082E-02 ppm1 6.882 ppm2 0.811 CV 1
ASSI { 222}
(( segid "PAH " and resid 372 and name HB1 ))
( segid "PAH " and resid 310 and name HE% )
3.300 1.400 1.400 peak 222 spectrum 1 weight 0.10000E+01 volume 0.82593E-03 ppm1 6.797 ppm2 1.639 CV 1
ASSI { 223}
(( segid "PAH " and resid 314 and name HB ))
( segid "PAH " and resid 325 and name HE% )
3.300 1.400 1.400 peak 223 spectrum 1 weight 0.10000E+01 volume 0.74657E-03 ppm1 6.760 ppm2 1.839 CV 1
ASSI { 225}
(( segid "PAH " and resid 376 and name HB2 ))
( segid "PAH " and resid 359 and name HE% )
4.700 2.700 1.300 peak 225 spectrum 1 weight 0.10000E+01 volume 0.19515E-03 ppm1 6.884 ppm2 3.370 CV 1
ASSI { 229}
(( segid "PAH " and resid 314 and name HB ))
( segid "PAH " and resid 325 and name HD% )
3.400 1.500 1.500 peak 229 spectrum 1 weight 0.10000E+01 volume 0.60569E-03 ppm1 7.065 ppm2 1.856 CV 1
ASSI { 230}
(( segid "PAH " and resid 328 and name HB1 ))
( segid "PAH " and resid 325 and name HD% )
3.300 1.400 1.400 peak 230 spectrum 1 weight 0.10000E+01 volume 0.69556E-03 ppm1 7.067 ppm2 3.434 CV 1
ASSI { 231}
(( segid "PAH " and resid 315 and name HG1 ))
( segid "PAH " and resid 325 and name HD% )
3.400 1.400 1.400 peak 231 spectrum 1 weight 0.10000E+01 volume 0.74417E-03 ppm1 7.067 ppm2 0.706 CV 1
OR { 231}
(( segid "PAH " and resid 315 and name HG2 ))
( segid "PAH " and resid 325 and name HD% )
ASSI { 232}
(( segid "PAH " and resid 351 and name HD1 ))
( segid "PAH " and resid 349 and name HD% )
3.100 1.200 1.200 peak 232 spectrum 1 weight 0.10000E+01 volume 0.76847E-03 ppm1 6.945 ppm2 3.776 CV 1
ASSI { 234}
( segid "SID " and resid 11 and name HE% )
( segid "PAH " and resid 304 and name HD% )
4.000 2.000 2.000 peak 234 spectrum 1 weight 0.10000E+01 volume 0.26074E-03 ppm1 7.169 ppm2 2.211 CV 1
ASSI { 240}
( segid "SID " and resid 11 and name HE% )
( segid "PAH " and resid 379 and name HE% )
3.900 1.900 1.900 peak 240 spectrum 1 weight 0.10000E+01 volume 0.34252E-03 ppm1 6.806 ppm2 2.244 CV 1
OR { 240}
(( segid "SID " and resid 11 and name HB2 ))
( segid "PAH " and resid 379 and name HE% )
ASSI { 1}
(( segid "PAH " and resid 324 and name HA ))
( segid "PAH " and resid 324 and name HG2%)
2.600 0.800 0.800 peak 1 spectrum 1 weight 0.10000E+01 volume 0.34163E-02 ppm1 -0.007 ppm2 3.712 CV 1
ASSI { 2}
(( segid "PAH " and resid 324 and name HB ))
( segid "PAH " and resid 324 and name HG2%)
2.200 0.600 0.600 peak 2 spectrum 1 weight 0.10000E+01 volume 0.87751E-02 ppm1 -0.005 ppm2 1.630 CV 1
ASSI { 4}
(( segid "PAH " and resid 324 and name HG12))
( segid "PAH " and resid 324 and name HG2%)
3.100 1.200 1.200 peak 4 spectrum 1 weight 0.10000E+01 volume 0.21168E-02 ppm1 -0.008 ppm2 1.218 CV 1
ASSI { 5}
( segid "PAH " and resid 324 and name HD1%)
( segid "PAH " and resid 324 and name HG2%)
2.200 0.600 0.600 peak 5 spectrum 1 weight 0.10000E+01 volume 0.93781E-02 ppm1 -0.005 ppm2 0.788 CV 1
ASSI { 12}
(( segid "PAH " and resid 361 and name HB2 ))
( segid "PAH " and resid 331 and name HD1%)
2.500 0.800 0.800 peak 12 spectrum 1 weight 0.10000E+01 volume 0.37244E-02 ppm1 0.730 ppm2 2.088 CV 1
OR { 12}
(( segid "PAH " and resid 361 and name HB1 ))
( segid "PAH " and resid 331 and name HD1%)
ASSI { 13}
(( segid "PAH " and resid 331 and name HG11))
( segid "PAH " and resid 331 and name HD1%)
2.100 0.600 0.600 peak 13 spectrum 1 weight 0.10000E+01 volume 0.10517E-01 ppm1 0.733 ppm2 1.793 CV 1
OR { 13}
(( segid "PAH " and resid 331 and name HB ))
( segid "PAH " and resid 331 and name HD1%)
ASSI { 15}
(( segid "PAH " and resid 331 and name HG12))
( segid "PAH " and resid 331 and name HD1%)
2.200 0.600 0.600 peak 15 spectrum 1 weight 0.10000E+01 volume 0.75021E-02 ppm1 0.738 ppm2 1.073 CV 1
ASSI { 16}
( segid "PAH " and resid 362 and name HG1%)
( segid "PAH " and resid 331 and name HD1%)
2.700 0.900 0.900 peak 16 spectrum 1 weight 0.10000E+01 volume 0.42669E-02 ppm1 0.734 ppm2 0.516 CV 1
ASSI { 18}
( segid "PAH " and resid 362 and name HG2%)
( segid "PAH " and resid 331 and name HD1%)
3.700 1.700 1.700 peak 18 spectrum 1 weight 0.10000E+01 volume 0.37914E-03 ppm1 0.731 ppm2 -0.308 CV 1
ASSI { 19}
(( segid "PAH " and resid 377 and name HA1 ))
(( segid "PAH " and resid 377 and name HA2 ))
1.800 0.400 0.400 peak 19 spectrum 1 weight 0.10000E+01 volume 0.17550E-01 ppm1 3.754 ppm2 4.110 CV 1
ASSI { 21}
(( segid "PAH " and resid 311 and name HA ))
( segid "PAH " and resid 314 and name HD1%)
2.500 0.800 0.800 peak 21 spectrum 1 weight 0.10000E+01 volume 0.39119E-02 ppm1 0.062 ppm2 3.406 CV 1
ASSI { 22}
(( segid "PAH " and resid 314 and name HA ))
( segid "PAH " and resid 314 and name HD1%)
4.000 2.000 2.000 peak 22 spectrum 1 weight 0.10000E+01 volume 0.81720E-03 ppm1 0.060 ppm2 3.158 CV 1
ASSI { 23}
(( segid "PAH " and resid 314 and name HB ))
( segid "PAH " and resid 314 and name HD1%)
2.600 0.800 0.800 peak 23 spectrum 1 weight 0.10000E+01 volume 0.37981E-02 ppm1 0.060 ppm2 1.858 CV 1
ASSI { 24}
( segid "PAH " and resid 311 and name HG1%)
( segid "PAH " and resid 314 and name HD1%)
3.200 1.300 1.300 peak 24 spectrum 1 weight 0.10000E+01 volume 0.14335E-02 ppm1 0.059 ppm2 1.235 CV 1
ASSI { 25}
(( segid "PAH " and resid 314 and name HG11))
( segid "PAH " and resid 314 and name HD1%)
2.400 0.700 0.700 peak 25 spectrum 1 weight 0.10000E+01 volume 0.51713E-02 ppm1 0.058 ppm2 1.141 CV 1
ASSI { 30}
(( segid "PAH " and resid 314 and name HG12))
( segid "PAH " and resid 314 and name HD1%)
2.200 0.600 0.600 peak 30 spectrum 1 weight 0.10000E+01 volume 0.86412E-02 ppm1 0.063 ppm2 0.337 CV 1
ASSI { 31}
(( segid "PAH " and resid 313 and name HB1 ))
( segid "PAH " and resid 314 and name HD1%)
4.200 2.200 1.800 peak 31 spectrum 1 weight 0.10000E+01 volume 0.35904E-03 ppm1 0.059 ppm2 1.972 CV 1
OR { 31}
(( segid "PAH " and resid 313 and name HB2 ))
( segid "PAH " and resid 314 and name HD1%)
ASSI { 32}
(( segid "PAH " and resid 305 and name HA ))
( segid "PAH " and resid 308 and name HD1%)
2.800 1.000 1.000 peak 32 spectrum 1 weight 0.10000E+01 volume 0.20565E-02 ppm1 0.484 ppm2 4.358 CV 1
ASSI { 33}
(( segid "SID " and resid 15 and name HA ))
( segid "PAH " and resid 308 and name HD1%)
3.600 1.600 1.600 peak 33 spectrum 1 weight 0.10000E+01 volume 0.68995E-03 ppm1 0.484 ppm2 4.110 CV 1
ASSI { 34}
(( segid "PAH " and resid 308 and name HA ))
( segid "PAH " and resid 308 and name HD1%)
3.500 1.500 1.500 peak 34 spectrum 1 weight 0.10000E+01 volume 0.17081E-02 ppm1 0.484 ppm2 3.488 CV 1
ASSI { 35}
(( segid "SID " and resid 19 and name HB1 ))
( segid "PAH " and resid 308 and name HD1%)
4.300 2.300 1.700 peak 35 spectrum 1 weight 0.10000E+01 volume 0.26258E-03 ppm1 0.489 ppm2 2.029 CV 1
OR { 35}
(( segid "SID " and resid 19 and name HB2 ))
( segid "PAH " and resid 308 and name HD1%)
ASSI { 36}
(( segid "PAH " and resid 308 and name HB ))
( segid "PAH " and resid 308 and name HD1%)
2.800 1.000 1.000 peak 36 spectrum 1 weight 0.10000E+01 volume 0.24651E-02 ppm1 0.484 ppm2 1.817 CV 1
ASSI { 37}
( segid "SID " and resid 15 and name HB% )
( segid "PAH " and resid 308 and name HD1%)
3.500 1.500 1.500 peak 37 spectrum 1 weight 0.10000E+01 volume 0.17416E-02 ppm1 0.485 ppm2 1.306 CV 1
ASSI { 38}
(( segid "PAH " and resid 308 and name HG11))
( segid "PAH " and resid 308 and name HD1%)
2.500 0.800 0.800 peak 38 spectrum 1 weight 0.10000E+01 volume 0.33827E-02 ppm1 0.486 ppm2 1.214 CV 1
ASSI { 40}
( segid "SID " and resid 19 and name HD2%)
( segid "PAH " and resid 308 and name HD1%)
3.100 1.200 1.200 peak 40 spectrum 1 weight 0.10000E+01 volume 0.22440E-02 ppm1 0.486 ppm2 0.981 CV 1
OR { 40}
( segid "SID " and resid 19 and name HD1%)
( segid "PAH " and resid 308 and name HD1%)
ASSI { 42}
(( segid "PAH " and resid 308 and name HG12))
( segid "PAH " and resid 308 and name HD1%)
2.100 0.500 0.500 peak 42 spectrum 1 weight 0.10000E+01 volume 0.12057E-01 ppm1 0.483 ppm2 0.663 CV 1
ASSI { 43}
(( segid "PAH " and resid 353 and name HA ))
(( segid "PAH " and resid 353 and name HB1 ))
2.700 0.900 0.900 peak 43 spectrum 1 weight 0.10000E+01 volume 0.23780E-02 ppm1 1.674 ppm2 4.717 CV 1
ASSI { 44}
(( segid "PAH " and resid 353 and name HA ))
(( segid "PAH " and resid 353 and name HB2 ))
2.800 1.000 1.000 peak 44 spectrum 1 weight 0.10000E+01 volume 0.23244E-02 ppm1 1.582 ppm2 4.720 CV 1
ASSI { 45}
(( segid "PAH " and resid 335 and name HA ))
(( segid "PAH " and resid 353 and name HB2 ))
3.600 1.600 1.600 peak 45 spectrum 1 weight 0.10000E+01 volume 0.49904E-03 ppm1 1.579 ppm2 4.105 CV 1
ASSI { 46}
(( segid "PAH " and resid 335 and name HA ))
(( segid "PAH " and resid 353 and name HB1 ))
3.500 1.500 1.500 peak 46 spectrum 1 weight 0.10000E+01 volume 0.63837E-03 ppm1 1.677 ppm2 4.109 CV 1
ASSI { 47}
(( segid "PAH " and resid 353 and name HB1 ))
(( segid "PAH " and resid 353 and name HB2 ))
1.700 0.300 0.500 peak 47 spectrum 1 weight 0.10000E+01 volume 0.30612E-01 ppm1 1.575 ppm2 1.695 CV 1
ASSI { 49}
( segid "PAH " and resid 353 and name HD1%)
(( segid "PAH " and resid 353 and name HB1 ))
2.800 1.000 1.000 peak 49 spectrum 1 weight 0.10000E+01 volume 0.25254E-02 ppm1 1.675 ppm2 0.940 CV 1
OR { 49}
( segid "PAH " and resid 353 and name HD2%)
(( segid "PAH " and resid 353 and name HB1 ))
ASSI { 52}
( segid "PAH " and resid 353 and name HD2%)
(( segid "PAH " and resid 353 and name HB2 ))
2.800 1.000 1.000 peak 52 spectrum 1 weight 0.10000E+01 volume 0.27330E-02 ppm1 1.576 ppm2 0.942 CV 1
OR { 52}
( segid "PAH " and resid 353 and name HD1%)
(( segid "PAH " and resid 353 and name HB2 ))
ASSI { 53}
(( segid "PAH " and resid 320 and name HA1 ))
(( segid "PAH " and resid 320 and name HA2 ))
1.900 0.400 0.400 peak 53 spectrum 1 weight 0.10000E+01 volume 0.17952E-01 ppm1 3.854 ppm2 4.223 CV 1
ASSI { 55}
(( segid "PAH " and resid 364 and name HG2 ))
(( segid "PAH " and resid 364 and name HD2 ))
2.300 0.700 0.700 peak 55 spectrum 1 weight 0.10000E+01 volume 0.68325E-02 ppm1 3.220 ppm2 1.594 CV 1
OR { 55}
(( segid "PAH " and resid 364 and name HG2 ))
(( segid "PAH " and resid 364 and name HD1 ))
ASSI { 56}
(( segid "PAH " and resid 340 and name HG2 ))
(( segid "PAH " and resid 340 and name HD1 ))
2.400 0.700 0.700 peak 56 spectrum 1 weight 0.10000E+01 volume 0.64842E-02 ppm1 3.177 ppm2 1.610 CV 1
OR { 56}
(( segid "PAH " and resid 340 and name HG2 ))
(( segid "PAH " and resid 340 and name HD2 ))
ASSI { 57}
(( segid "PAH " and resid 340 and name HG1 ))
(( segid "PAH " and resid 340 and name HD2 ))
2.400 0.700 0.700 peak 57 spectrum 1 weight 0.10000E+01 volume 0.51780E-02 ppm1 3.172 ppm2 1.753 CV 1
OR { 57}
(( segid "PAH " and resid 340 and name HG1 ))
(( segid "PAH " and resid 340 and name HD1 ))
ASSI { 58}
(( segid "PAH " and resid 340 and name HB2 ))
(( segid "PAH " and resid 340 and name HD2 ))
2.300 0.700 0.700 peak 58 spectrum 1 weight 0.10000E+01 volume 0.68325E-02 ppm1 3.173 ppm2 1.928 CV 1
OR { 58}
(( segid "PAH " and resid 340 and name HB1 ))
(( segid "PAH " and resid 340 and name HD2 ))
OR { 58}
(( segid "PAH " and resid 340 and name HB2 ))
(( segid "PAH " and resid 340 and name HD1 ))
OR { 58}
(( segid "PAH " and resid 340 and name HB1 ))
(( segid "PAH " and resid 340 and name HD1 ))
ASSI { 59}
(( segid "PAH " and resid 364 and name HG1 ))
(( segid "PAH " and resid 364 and name HD1 ))
2.100 0.600 0.600 peak 59 spectrum 1 weight 0.10000E+01 volume 0.11387E-01 ppm1 3.224 ppm2 1.851 CV 1
OR { 59}
(( segid "PAH " and resid 364 and name HG1 ))
(( segid "PAH " and resid 364 and name HD2 ))
OR { 59}
(( segid "PAH " and resid 364 and name HB1 ))
(( segid "PAH " and resid 364 and name HD1 ))
OR { 59}
(( segid "PAH " and resid 364 and name HB1 ))
(( segid "PAH " and resid 364 and name HD2 ))
OR { 59}
(( segid "PAH " and resid 364 and name HB2 ))
(( segid "PAH " and resid 364 and name HD2 ))
ASSI { 60}
(( segid "PAH " and resid 340 and name HA ))
(( segid "PAH " and resid 340 and name HD1 ))
3.600 1.600 1.600 peak 60 spectrum 1 weight 0.10000E+01 volume 0.10249E-02 ppm1 3.172 ppm2 4.060 CV 1
OR { 60}
(( segid "PAH " and resid 340 and name HA ))
(( segid "PAH " and resid 340 and name HD2 ))
ASSI { 61}
(( segid "PAH " and resid 337 and name HA ))
(( segid "PAH " and resid 340 and name HD2 ))
3.400 1.400 1.400 peak 61 spectrum 1 weight 0.10000E+01 volume 0.77036E-03 ppm1 3.174 ppm2 3.984 CV 1
OR { 61}
(( segid "PAH " and resid 337 and name HA ))
(( segid "PAH " and resid 340 and name HD1 ))
ASSI { 62}
(( segid "PAH " and resid 364 and name HA ))
(( segid "PAH " and resid 364 and name HD2 ))
3.700 1.700 1.700 peak 62 spectrum 1 weight 0.10000E+01 volume 0.64172E-03 ppm1 3.218 ppm2 4.058 CV 1
OR { 62}
(( segid "PAH " and resid 364 and name HA ))
(( segid "PAH " and resid 364 and name HD1 ))
ASSI { 64}
(( segid "PAH " and resid 365 and name HA ))
( segid "PAH " and resid 324 and name HD1%)
4.000 2.000 2.000 peak 64 spectrum 1 weight 0.10000E+01 volume 0.28603E-03 ppm1 0.764 ppm2 4.051 CV 1
ASSI { 67}
(( segid "PAH " and resid 321 and name HB1 ))
( segid "PAH " and resid 324 and name HD1%)
2.900 1.100 1.100 peak 67 spectrum 1 weight 0.10000E+01 volume 0.22239E-02 ppm1 0.764 ppm2 2.385 CV 1
OR { 67}
(( segid "PAH " and resid 321 and name HG2 ))
( segid "PAH " and resid 324 and name HD1%)
ASSI { 68}
(( segid "PAH " and resid 321 and name HB2 ))
( segid "PAH " and resid 324 and name HD1%)
3.600 1.600 1.600 peak 68 spectrum 1 weight 0.10000E+01 volume 0.80382E-03 ppm1 0.762 ppm2 2.201 CV 1
ASSI { 69}
(( segid "PAH " and resid 324 and name HB ))
( segid "PAH " and resid 324 and name HD1%)
2.900 1.100 1.100 peak 69 spectrum 1 weight 0.10000E+01 volume 0.30277E-02 ppm1 0.764 ppm2 1.616 CV 1
ASSI { 70}
(( segid "PAH " and resid 324 and name HG11))
( segid "PAH " and resid 324 and name HD1%)
2.400 0.700 0.700 peak 70 spectrum 1 weight 0.10000E+01 volume 0.47828E-02 ppm1 0.764 ppm2 1.525 CV 1
ASSI { 71}
(( segid "PAH " and resid 324 and name HG12))
( segid "PAH " and resid 324 and name HD1%)
2.400 0.700 0.700 peak 71 spectrum 1 weight 0.10000E+01 volume 0.46354E-02 ppm1 0.766 ppm2 1.214 CV 1
ASSI { 74}
(( segid "PAH " and resid 380 and name HA ))
(( segid "PAH " and resid 380 and name HB2 ))
3.100 1.200 1.200 peak 74 spectrum 1 weight 0.10000E+01 volume 0.12660E-02 ppm1 1.334 ppm2 4.629 CV 1
ASSI { 78}
(( segid "PAH " and resid 362 and name HA ))
(( segid "PAH " and resid 365 and name HB1 ))
3.700 1.700 1.700 peak 78 spectrum 1 weight 0.10000E+01 volume 0.98466E-03 ppm1 1.511 ppm2 2.977 CV 1
ASSI { 79}
(( segid "PAH " and resid 296 and name HB1 ))
(( segid "PAH " and resid 296 and name HB2 ))
1.600 0.300 0.600 peak 79 spectrum 1 weight 0.10000E+01 volume 0.45818E-01 ppm1 1.566 ppm2 1.704 CV 1
ASSI { 80}
(( segid "PAH " and resid 365 and name HG ))
(( segid "PAH " and resid 365 and name HB2 ))
2.400 0.700 0.700 peak 80 spectrum 1 weight 0.10000E+01 volume 0.44612E-02 ppm1 1.302 ppm2 1.653 CV 1
ASSI { 87}
( segid "PAH " and resid 296 and name HD2%)
(( segid "PAH " and resid 296 and name HB2 ))
2.700 0.900 0.900 peak 87 spectrum 1 weight 0.10000E+01 volume 0.31885E-02 ppm1 1.567 ppm2 0.943 CV 1
OR { 87}
( segid "PAH " and resid 296 and name HD1%)
(( segid "PAH " and resid 296 and name HB2 ))
ASSI { 90}
( segid "PAH " and resid 373 and name HD2%)
(( segid "PAH " and resid 373 and name HB1 ))
3.100 1.200 1.200 peak 90 spectrum 1 weight 0.10000E+01 volume 0.12593E-02 ppm1 2.152 ppm2 0.819 CV 1
ASSI { 93}
(( segid "PAH " and resid 373 and name HG ))
(( segid "PAH " and resid 373 and name HB2 ))
2.300 0.700 0.700 peak 93 spectrum 1 weight 0.10000E+01 volume 0.60354E-02 ppm1 1.721 ppm2 1.896 CV 1
ASSI { 94}
(( segid "PAH " and resid 373 and name HG ))
(( segid "PAH " and resid 373 and name HB1 ))
2.500 0.800 0.800 peak 94 spectrum 1 weight 0.10000E+01 volume 0.44143E-02 ppm1 2.153 ppm2 1.895 CV 1
ASSI { 95}
(( segid "PAH " and resid 373 and name HB2 ))
(( segid "PAH " and resid 373 and name HB1 ))
1.800 0.400 0.400 peak 95 spectrum 1 weight 0.10000E+01 volume 0.15608E-01 ppm1 2.153 ppm2 1.739 CV 1
ASSI { 97}
(( segid "PAH " and resid 296 and name HA ))
(( segid "PAH " and resid 296 and name HB2 ))
3.200 1.300 1.300 peak 97 spectrum 1 weight 0.10000E+01 volume 0.13531E-02 ppm1 1.569 ppm2 4.342 CV 1
ASSI { 101}
(( segid "PAH " and resid 370 and name HA ))
(( segid "PAH " and resid 373 and name HB1 ))
3.300 1.300 1.300 peak 101 spectrum 1 weight 0.10000E+01 volume 0.13732E-02 ppm1 2.154 ppm2 4.004 CV 1
ASSI { 103}
(( segid "PAH " and resid 367 and name HD1 ))
(( segid "PAH " and resid 367 and name HE1 ))
2.600 0.800 0.800 peak 103 spectrum 1 weight 0.10000E+01 volume 0.38919E-02 ppm1 3.069 ppm2 1.802 CV 1
OR { 103}
(( segid "PAH " and resid 367 and name HD2 ))
(( segid "PAH " and resid 367 and name HE2 ))
OR { 103}
(( segid "PAH " and resid 367 and name HD1 ))
(( segid "PAH " and resid 367 and name HE2 ))
OR { 103}
(( segid "PAH " and resid 367 and name HD2 ))
(( segid "PAH " and resid 367 and name HE1 ))
ASSI { 104}
(( segid "PAH " and resid 367 and name HG1 ))
(( segid "PAH " and resid 367 and name HE2 ))
2.600 0.900 0.900 peak 104 spectrum 1 weight 0.10000E+01 volume 0.37244E-02 ppm1 3.069 ppm2 1.508 CV 1
OR { 104}
(( segid "PAH " and resid 367 and name HG1 ))
(( segid "PAH " and resid 367 and name HE1 ))
OR { 104}
(( segid "PAH " and resid 367 and name HG2 ))
(( segid "PAH " and resid 367 and name HE2 ))
OR { 104}
(( segid "PAH " and resid 367 and name HG2 ))
(( segid "PAH " and resid 367 and name HE1 ))
ASSI { 108}
(( segid "PAH " and resid 315 and name HD2 ))
(( segid "PAH " and resid 315 and name HE1 ))
2.300 0.700 0.700 peak 108 spectrum 1 weight 0.10000E+01 volume 0.69665E-02 ppm1 2.813 ppm2 1.450 CV 1
OR { 108}
(( segid "PAH " and resid 315 and name HD1 ))
(( segid "PAH " and resid 315 and name HE2 ))
OR { 108}
(( segid "PAH " and resid 315 and name HD1 ))
(( segid "PAH " and resid 315 and name HE1 ))
OR { 108}
(( segid "PAH " and resid 315 and name HD2 ))
(( segid "PAH " and resid 315 and name HE2 ))
ASSI { 109}
(( segid "PAH " and resid 315 and name HG1 ))
(( segid "PAH " and resid 315 and name HE2 ))
2.500 0.800 0.800 peak 109 spectrum 1 weight 0.10000E+01 volume 0.42737E-02 ppm1 2.812 ppm2 0.703 CV 1
OR { 109}
(( segid "PAH " and resid 315 and name HG2 ))
(( segid "PAH " and resid 315 and name HE1 ))
OR { 109}
(( segid "PAH " and resid 315 and name HG2 ))
(( segid "PAH " and resid 315 and name HE2 ))
OR { 109}
(( segid "PAH " and resid 315 and name HG1 ))
(( segid "PAH " and resid 315 and name HE1 ))
ASSI { 110}
( segid "PAH " and resid 334 and name HG2%)
(( segid "PAH " and resid 337 and name HE1 ))
3.800 1.800 1.800 peak 110 spectrum 1 weight 0.10000E+01 volume 0.51780E-03 ppm1 2.974 ppm2 1.313 CV 1
OR { 110}
( segid "PAH " and resid 334 and name HG2%)
(( segid "PAH " and resid 337 and name HE2 ))
ASSI { 111}
(( segid "PAH " and resid 326 and name HD2 ))
(( segid "PAH " and resid 326 and name HE2 ))
2.300 0.700 0.700 peak 111 spectrum 1 weight 0.10000E+01 volume 0.72344E-02 ppm1 2.967 ppm2 1.744 CV 1
OR { 111}
(( segid "PAH " and resid 326 and name HD1 ))
(( segid "PAH " and resid 326 and name HE1 ))
OR { 111}
(( segid "PAH " and resid 326 and name HD2 ))
(( segid "PAH " and resid 326 and name HE1 ))
OR { 111}
(( segid "PAH " and resid 326 and name HD1 ))
(( segid "PAH " and resid 326 and name HE2 ))
ASSI { 112}
(( segid "PAH " and resid 313 and name HB1 ))
(( segid "PAH " and resid 313 and name HE1 ))
3.700 1.700 1.700 peak 112 spectrum 1 weight 0.10000E+01 volume 0.65445E-03 ppm1 2.909 ppm2 2.000 CV 1
ASSI { 113}
(( segid "PAH " and resid 313 and name HB1 ))
(( segid "PAH " and resid 313 and name HE2 ))
3.500 1.500 1.500 peak 113 spectrum 1 weight 0.10000E+01 volume 0.95789E-03 ppm1 2.842 ppm2 1.998 CV 1
ASSI { 114}
(( segid "PAH " and resid 313 and name HG2 ))
(( segid "PAH " and resid 313 and name HE1 ))
3.300 1.400 1.400 peak 114 spectrum 1 weight 0.10000E+01 volume 0.75021E-03 ppm1 2.905 ppm2 1.196 CV 1
ASSI { 115}
(( segid "PAH " and resid 313 and name HG2 ))
(( segid "PAH " and resid 313 and name HE2 ))
3.300 1.400 1.400 peak 115 spectrum 1 weight 0.10000E+01 volume 0.10450E-02 ppm1 2.842 ppm2 1.196 CV 1
ASSI { 116}
( segid "PAH " and resid 372 and name HD1%)
(( segid "PAH " and resid 313 and name HE1 ))
3.200 1.300 1.300 peak 116 spectrum 1 weight 0.10000E+01 volume 0.91097E-03 ppm1 2.903 ppm2 0.545 CV 1
ASSI { 117}
( segid "PAH " and resid 372 and name HD1%)
(( segid "PAH " and resid 313 and name HE2 ))
3.100 1.200 1.200 peak 117 spectrum 1 weight 0.10000E+01 volume 0.13129E-02 ppm1 2.847 ppm2 0.544 CV 1
ASSI { 119}
(( segid "PAH " and resid 313 and name HD2 ))
(( segid "PAH " and resid 313 and name HE2 ))
2.700 0.900 0.900 peak 119 spectrum 1 weight 0.10000E+01 volume 0.28335E-02 ppm1 2.851 ppm2 1.700 CV 1
OR { 119}
(( segid "PAH " and resid 313 and name HD1 ))
(( segid "PAH " and resid 313 and name HE2 ))
ASSI { 120}
(( segid "PAH " and resid 313 and name HG1 ))
(( segid "PAH " and resid 313 and name HE1 ))
3.300 1.300 1.300 peak 120 spectrum 1 weight 0.10000E+01 volume 0.93112E-03 ppm1 2.904 ppm2 1.607 CV 1
ASSI { 122}
(( segid "PAH " and resid 372 and name HA ))
(( segid "PAH " and resid 372 and name HB1 ))
2.900 1.000 1.000 peak 122 spectrum 1 weight 0.10000E+01 volume 0.16679E-02 ppm1 1.642 ppm2 4.376 CV 1
ASSI { 123}
(( segid "PAH " and resid 372 and name HA ))
(( segid "PAH " and resid 372 and name HB2 ))
3.000 1.100 1.100 peak 123 spectrum 1 weight 0.10000E+01 volume 0.17684E-02 ppm1 0.972 ppm2 4.379 CV 1
ASSI { 124}
(( segid "PAH " and resid 329 and name HB1 ))
(( segid "PAH " and resid 329 and name HB2 ))
1.900 0.400 0.400 peak 124 spectrum 1 weight 0.10000E+01 volume 0.14000E-01 ppm1 1.099 ppm2 1.780 CV 1
ASSI { 125}
(( segid "PAH " and resid 372 and name HB1 ))
(( segid "PAH " and resid 372 and name HB2 ))
1.900 0.400 0.400 peak 125 spectrum 1 weight 0.10000E+01 volume 0.12861E-01 ppm1 0.972 ppm2 1.648 CV 1
ASSI { 126}
(( segid "PAH " and resid 329 and name HG ))
(( segid "PAH " and resid 329 and name HB2 ))
2.600 0.800 0.800 peak 126 spectrum 1 weight 0.10000E+01 volume 0.29273E-02 ppm1 1.099 ppm2 1.357 CV 1
ASSI { 127}
( segid "PAH " and resid 329 and name HD1%)
(( segid "PAH " and resid 329 and name HB2 ))
2.500 0.800 0.800 peak 127 spectrum 1 weight 0.10000E+01 volume 0.57808E-02 ppm1 1.099 ppm2 0.633 CV 1
OR { 127}
( segid "PAH " and resid 329 and name HD2%)
(( segid "PAH " and resid 329 and name HB2 ))
ASSI { 128}
( segid "PAH " and resid 372 and name HD1%)
(( segid "PAH " and resid 372 and name HB2 ))
3.000 1.100 1.100 peak 128 spectrum 1 weight 0.10000E+01 volume 0.13665E-02 ppm1 0.972 ppm2 0.541 CV 1
ASSI { 130}
( segid "PAH " and resid 372 and name HD2%)
(( segid "PAH " and resid 372 and name HB1 ))
2.900 1.000 1.000 peak 130 spectrum 1 weight 0.10000E+01 volume 0.17550E-02 ppm1 1.635 ppm2 0.231 CV 1
ASSI { 131}
( segid "PAH " and resid 372 and name HD1%)
(( segid "PAH " and resid 372 and name HB1 ))
3.900 1.900 1.900 peak 131 spectrum 1 weight 0.10000E+01 volume 0.61626E-03 ppm1 1.637 ppm2 0.542 CV 1
ASSI { 134}
(( segid "PAH " and resid 329 and name HG ))
(( segid "PAH " and resid 329 and name HB1 ))
2.900 1.100 1.100 peak 134 spectrum 1 weight 0.10000E+01 volume 0.24450E-02 ppm1 1.763 ppm2 1.360 CV 1
ASSI { 135}
( segid "PAH " and resid 329 and name HD1%)
(( segid "PAH " and resid 329 and name HB1 ))
2.500 0.800 0.800 peak 135 spectrum 1 weight 0.10000E+01 volume 0.42134E-02 ppm1 1.761 ppm2 0.635 CV 1
OR { 135}
( segid "PAH " and resid 329 and name HD2%)
(( segid "PAH " and resid 329 and name HB1 ))
ASSI { 136}
(( segid "PAH " and resid 329 and name HA ))
(( segid "PAH " and resid 329 and name HB2 ))
2.900 1.000 1.000 peak 136 spectrum 1 weight 0.10000E+01 volume 0.26660E-02 ppm1 1.093 ppm2 3.447 CV 1
ASSI { 137}
(( segid "PAH " and resid 329 and name HA ))
(( segid "PAH " and resid 329 and name HB1 ))
2.900 1.000 1.000 peak 137 spectrum 1 weight 0.10000E+01 volume 0.15742E-02 ppm1 1.764 ppm2 3.456 CV 1
ASSI { 139}
(( segid "PAH " and resid 382 and name HA ))
(( segid "PAH " and resid 382 and name HB2 ))
2.900 1.100 1.100 peak 139 spectrum 1 weight 0.10000E+01 volume 0.20832E-02 ppm1 2.512 ppm2 4.541 CV 1
ASSI { 140}
(( segid "PAH " and resid 382 and name HA ))
(( segid "PAH " and resid 382 and name HB1 ))
2.700 0.900 0.900 peak 140 spectrum 1 weight 0.10000E+01 volume 0.29139E-02 ppm1 2.695 ppm2 4.545 CV 1
ASSI { 141}
( segid "PAH " and resid 345 and name HB% )
(( segid "PAH " and resid 349 and name HB2 ))
2.800 1.000 1.000 peak 141 spectrum 1 weight 0.10000E+01 volume 0.21972E-02 ppm1 2.780 ppm2 1.461 CV 1
ASSI { 144}
(( segid "PAH " and resid 349 and name HA ))
(( segid "PAH " and resid 349 and name HB2 ))
2.800 1.000 1.000 peak 144 spectrum 1 weight 0.10000E+01 volume 0.17617E-02 ppm1 2.781 ppm2 4.527 CV 1
ASSI { 146}
(( segid "PAH " and resid 349 and name HB1 ))
(( segid "PAH " and resid 349 and name HB2 ))
1.800 0.400 0.400 peak 146 spectrum 1 weight 0.10000E+01 volume 0.20162E-01 ppm1 2.783 ppm2 2.976 CV 1
ASSI { 151}
(( segid "PAH " and resid 332 and name HG ))
(( segid "PAH " and resid 332 and name HB2 ))
2.700 0.900 0.900 peak 151 spectrum 1 weight 0.10000E+01 volume 0.19292E-02 ppm1 1.157 ppm2 1.415 CV 1
ASSI { 152}
(( segid "PAH " and resid 332 and name HB1 ))
(( segid "PAH " and resid 332 and name HB2 ))
1.900 0.400 0.400 peak 152 spectrum 1 weight 0.10000E+01 volume 0.11790E-01 ppm1 1.160 ppm2 1.723 CV 1
ASSI { 154}
(( segid "PAH " and resid 332 and name HA ))
(( segid "PAH " and resid 332 and name HB1 ))
3.000 1.100 1.100 peak 154 spectrum 1 weight 0.10000E+01 volume 0.10717E-02 ppm1 1.705 ppm2 3.864 CV 1
ASSI { 156}
(( segid "PAH " and resid 332 and name HG ))
(( segid "PAH " and resid 332 and name HB1 ))
2.900 1.100 1.100 peak 156 spectrum 1 weight 0.10000E+01 volume 0.21033E-02 ppm1 1.711 ppm2 1.407 CV 1
ASSI { 157}
( segid "SID " and resid 9 and name HG2%)
(( segid "PAH " and resid 332 and name HB1 ))
3.400 1.500 1.500 peak 157 spectrum 1 weight 0.10000E+01 volume 0.47225E-03 ppm1 1.710 ppm2 1.014 CV 1
ASSI { 158}
( segid "PAH " and resid 354 and name HG2%)
(( segid "PAH " and resid 354 and name HB ))
2.300 0.600 0.600 peak 158 spectrum 1 weight 0.10000E+01 volume 0.75021E-02 ppm1 4.787 ppm2 1.368 CV 1
ASSI { 159}
(( segid "PAH " and resid 317 and name HG2 ))
(( segid "PAH " and resid 317 and name HD2 ))
3.000 1.100 1.100 peak 159 spectrum 1 weight 0.10000E+01 volume 0.18421E-02 ppm1 3.007 ppm2 0.536 CV 1
ASSI { 160}
(( segid "PAH " and resid 317 and name HG2 ))
(( segid "PAH " and resid 317 and name HD1 ))
2.800 1.000 1.000 peak 160 spectrum 1 weight 0.10000E+01 volume 0.18153E-02 ppm1 3.107 ppm2 0.533 CV 1
ASSI { 162}
(( segid "PAH " and resid 317 and name HG1 ))
(( segid "PAH " and resid 317 and name HD2 ))
3.200 1.300 1.300 peak 162 spectrum 1 weight 0.10000E+01 volume 0.81051E-03 ppm1 3.010 ppm2 0.976 CV 1
ASSI { 163}
(( segid "PAH " and resid 304 and name HB2 ))
(( segid "PAH " and resid 304 and name HB1 ))
1.800 0.400 0.400 peak 163 spectrum 1 weight 0.10000E+01 volume 0.16746E-01 ppm1 3.231 ppm2 3.041 CV 1
ASSI { 165}
(( segid "PAH " and resid 317 and name HA ))
(( segid "PAH " and resid 317 and name HD1 ))
2.900 1.000 1.000 peak 165 spectrum 1 weight 0.10000E+01 volume 0.18957E-02 ppm1 3.105 ppm2 3.847 CV 1
ASSI { 167}
(( segid "PAH " and resid 323 and name HA ))
(( segid "PAH " and resid 323 and name HB1 ))
2.600 0.900 0.900 peak 167 spectrum 1 weight 0.10000E+01 volume 0.41531E-02 ppm1 2.716 ppm2 4.410 CV 1
ASSI { 169}
(( segid "PAH " and resid 376 and name HB1 ))
(( segid "PAH " and resid 376 and name HB2 ))
1.900 0.400 0.400 peak 169 spectrum 1 weight 0.10000E+01 volume 0.13196E-01 ppm1 3.353 ppm2 4.079 CV 1
ASSI { 170}
(( segid "PAH " and resid 304 and name HA ))
(( segid "PAH " and resid 304 and name HB2 ))
2.900 1.100 1.100 peak 170 spectrum 1 weight 0.10000E+01 volume 0.15943E-02 ppm1 3.030 ppm2 4.506 CV 1
ASSI { 171}
(( segid "PAH " and resid 304 and name HA ))
(( segid "PAH " and resid 304 and name HB1 ))
3.000 1.100 1.100 peak 171 spectrum 1 weight 0.10000E+01 volume 0.21502E-02 ppm1 3.230 ppm2 4.497 CV 1
ASSI { 173}
(( segid "PAH " and resid 299 and name HA ))
(( segid "PAH " and resid 299 and name HB2 ))
2.700 0.900 0.900 peak 173 spectrum 1 weight 0.10000E+01 volume 0.31684E-02 ppm1 2.769 ppm2 4.723 CV 1
ASSI { 174}
(( segid "PAH " and resid 379 and name HB2 ))
(( segid "PAH " and resid 379 and name HB1 ))
1.800 0.400 0.400 peak 174 spectrum 1 weight 0.10000E+01 volume 0.17617E-01 ppm1 2.871 ppm2 2.573 CV 1
ASSI { 177}
(( segid "PAH " and resid 310 and name HB2 ))
(( segid "PAH " and resid 310 and name HB1 ))
1.900 0.400 0.400 peak 177 spectrum 1 weight 0.10000E+01 volume 0.14000E-01 ppm1 3.374 ppm2 2.940 CV 1
ASSI { 178}
(( segid "PAH " and resid 328 and name HB2 ))
(( segid "PAH " and resid 328 and name HB1 ))
2.000 0.500 0.500 peak 178 spectrum 1 weight 0.10000E+01 volume 0.91097E-02 ppm1 3.446 ppm2 3.021 CV 1
ASSI { 179}
( segid "SID " and resid 19 and name HD2%)
(( segid "PAH " and resid 312 and name HB2 ))
3.100 1.200 1.200 peak 179 spectrum 1 weight 0.10000E+01 volume 0.11320E-02 ppm1 2.709 ppm2 0.982 CV 1
OR { 179}
( segid "SID " and resid 19 and name HD1%)
(( segid "PAH " and resid 312 and name HB2 ))
ASSI { 187}
(( segid "PAH " and resid 325 and name HA ))
(( segid "PAH " and resid 325 and name HB1 ))
3.300 1.300 1.300 peak 187 spectrum 1 weight 0.10000E+01 volume 0.13062E-02 ppm1 3.162 ppm2 4.194 CV 1
ASSI { 188}
(( segid "PAH " and resid 310 and name HA ))
(( segid "PAH " and resid 310 and name HB1 ))
2.800 1.000 1.000 peak 188 spectrum 1 weight 0.10000E+01 volume 0.32421E-02 ppm1 3.364 ppm2 4.453 CV 1
ASSI { 190}
(( segid "PAH " and resid 379 and name HA ))
(( segid "PAH " and resid 379 and name HB1 ))
2.800 1.000 1.000 peak 190 spectrum 1 weight 0.10000E+01 volume 0.18354E-02 ppm1 2.892 ppm2 4.144 CV 1
ASSI { 195}
(( segid "PAH " and resid 316 and name HA ))
(( segid "PAH " and resid 316 and name HB2 ))
2.600 0.800 0.800 peak 195 spectrum 1 weight 0.10000E+01 volume 0.35435E-02 ppm1 2.624 ppm2 4.360 CV 1
ASSI { 199}
(( segid "PAH " and resid 348 and name HA ))
(( segid "PAH " and resid 348 and name HB2 ))
2.900 1.000 1.000 peak 199 spectrum 1 weight 0.10000E+01 volume 0.20632E-02 ppm1 2.765 ppm2 4.787 CV 1
ASSI { 201}
(( segid "PAH " and resid 306 and name HA ))
(( segid "PAH " and resid 309 and name HB2 ))
3.300 1.300 1.300 peak 201 spectrum 1 weight 0.10000E+01 volume 0.91097E-03 ppm1 2.886 ppm2 4.648 CV 1
ASSI { 203}
(( segid "PAH " and resid 368 and name HA ))
(( segid "PAH " and resid 368 and name HB2 ))
2.900 1.000 1.000 peak 203 spectrum 1 weight 0.10000E+01 volume 0.21369E-02 ppm1 3.065 ppm2 4.754 CV 1
ASSI { 206}
(( segid "PAH " and resid 314 and name HG12))
(( segid "PAH " and resid 314 and name HB ))
3.600 1.600 1.600 peak 206 spectrum 1 weight 0.10000E+01 volume 0.62632E-03 ppm1 1.850 ppm2 0.340 CV 1
ASSI { 207}
( segid "PAH " and resid 314 and name HG2%)
(( segid "PAH " and resid 314 and name HB ))
2.300 0.700 0.700 peak 207 spectrum 1 weight 0.10000E+01 volume 0.65043E-02 ppm1 1.838 ppm2 0.793 CV 1
ASSI { 209}
( segid "PAH " and resid 331 and name HD1%)
(( segid "PAH " and resid 331 and name HB ))
2.500 0.800 0.800 peak 209 spectrum 1 weight 0.10000E+01 volume 0.40057E-02 ppm1 1.795 ppm2 0.742 CV 1
ASSI { 210}
( segid "PAH " and resid 308 and name HG2%)
(( segid "PAH " and resid 308 and name HB ))
2.400 0.700 0.700 peak 210 spectrum 1 weight 0.10000E+01 volume 0.47425E-02 ppm1 1.803 ppm2 0.908 CV 1
ASSI { 212}
(( segid "PAH " and resid 314 and name HG11))
(( segid "PAH " and resid 314 and name HB ))
2.700 0.900 0.900 peak 212 spectrum 1 weight 0.10000E+01 volume 0.20699E-02 ppm1 1.848 ppm2 1.143 CV 1
ASSI { 213}
(( segid "PAH " and resid 308 and name HG11))
(( segid "PAH " and resid 308 and name HB ))
3.000 1.100 1.100 peak 213 spectrum 1 weight 0.10000E+01 volume 0.11387E-02 ppm1 1.803 ppm2 1.199 CV 1
ASSI { 214}
(( segid "PAH " and resid 314 and name HA ))
(( segid "PAH " and resid 314 and name HB ))
3.100 1.200 1.200 peak 214 spectrum 1 weight 0.10000E+01 volume 0.14000E-02 ppm1 1.843 ppm2 3.167 CV 1
ASSI { 215}
(( segid "PAH " and resid 311 and name HA ))
(( segid "PAH " and resid 314 and name HB ))
2.800 1.000 1.000 peak 215 spectrum 1 weight 0.10000E+01 volume 0.20699E-02 ppm1 1.844 ppm2 3.411 CV 1
ASSI { 216}
(( segid "PAH " and resid 308 and name HA ))
(( segid "PAH " and resid 308 and name HB ))
3.100 1.200 1.200 peak 216 spectrum 1 weight 0.10000E+01 volume 0.11857E-02 ppm1 1.801 ppm2 3.484 CV 1
ASSI { 217}
(( segid "PAH " and resid 331 and name HA ))
(( segid "PAH " and resid 331 and name HB ))
3.200 1.300 1.300 peak 217 spectrum 1 weight 0.10000E+01 volume 0.10048E-02 ppm1 1.797 ppm2 3.762 CV 1
ASSI { 218}
(( segid "PAH " and resid 328 and name HA ))
(( segid "PAH " and resid 331 and name HB ))
3.400 1.500 1.500 peak 218 spectrum 1 weight 0.10000E+01 volume 0.62564E-03 ppm1 1.794 ppm2 3.902 CV 1
ASSI { 219}
(( segid "PAH " and resid 318 and name HB1 ))
(( segid "PAH " and resid 318 and name HB2 ))
2.000 0.500 0.500 peak 219 spectrum 1 weight 0.10000E+01 volume 0.11320E-01 ppm1 2.459 ppm2 3.888 CV 1
ASSI { 222}
(( segid "PAH " and resid 305 and name HA ))
(( segid "PAH " and resid 308 and name HB ))
2.600 0.800 0.800 peak 222 spectrum 1 weight 0.10000E+01 volume 0.34163E-02 ppm1 1.803 ppm2 4.353 CV 1
ASSI { 225}
(( segid "PAH " and resid 375 and name HA ))
(( segid "PAH " and resid 375 and name HG2 ))
3.100 1.200 1.200 peak 225 spectrum 1 weight 0.10000E+01 volume 0.14134E-02 ppm1 1.942 ppm2 4.125 CV 1
ASSI { 228}
(( segid "PAH " and resid 357 and name HA ))
(( segid "PAH " and resid 357 and name HG1 ))
2.500 0.800 0.800 peak 228 spectrum 1 weight 0.10000E+01 volume 0.53254E-02 ppm1 2.369 ppm2 4.262 CV 1
OR { 228}
(( segid "PAH " and resid 357 and name HA ))
(( segid "PAH " and resid 357 and name HG2 ))
ASSI { 233}
( segid "PAH " and resid 352 and name HB% )
(( segid "PAH " and resid 338 and name HG1 ))
3.600 1.700 1.700 peak 233 spectrum 1 weight 0.10000E+01 volume 0.53857E-03 ppm1 2.508 ppm2 1.406 CV 1
ASSI { 239}
(( segid "PAH " and resid 321 and name HB2 ))
(( segid "PAH " and resid 324 and name HB ))
3.700 1.700 1.700 peak 239 spectrum 1 weight 0.10000E+01 volume 0.50373E-03 ppm1 1.597 ppm2 2.203 CV 1
ASSI { 240}
(( segid "PAH " and resid 321 and name HB1 ))
(( segid "PAH " and resid 324 and name HB ))
4.000 2.000 2.000 peak 240 spectrum 1 weight 0.10000E+01 volume 0.36440E-03 ppm1 1.601 ppm2 2.384 CV 1
OR { 240}
(( segid "PAH " and resid 321 and name HG2 ))
(( segid "PAH " and resid 324 and name HB ))
ASSI { 241}
(( segid "PAH " and resid 318 and name HB2 ))
(( segid "PAH " and resid 324 and name HB ))
3.800 1.800 1.800 peak 241 spectrum 1 weight 0.10000E+01 volume 0.56937E-03 ppm1 1.601 ppm2 2.467 CV 1
ASSI { 243}
(( segid "PAH " and resid 318 and name HB1 ))
(( segid "PAH " and resid 324 and name HB ))
3.100 1.200 1.200 peak 243 spectrum 1 weight 0.10000E+01 volume 0.97128E-03 ppm1 1.605 ppm2 3.880 CV 1
ASSI { 247}
(( segid "PAH " and resid 366 and name HB2 ))
(( segid "PAH " and resid 366 and name HB1 ))
1.900 0.400 0.400 peak 247 spectrum 1 weight 0.10000E+01 volume 0.13464E-01 ppm1 3.728 ppm2 2.949 CV 1
ASSI { 250}
( segid "PAH " and resid 311 and name HG2%)
(( segid "PAH " and resid 311 and name HA ))
2.400 0.700 0.700 peak 250 spectrum 1 weight 0.10000E+01 volume 0.56670E-02 ppm1 3.394 ppm2 1.169 CV 1
ASSI { 252}
( segid "PAH " and resid 362 and name HG2%)
(( segid "PAH " and resid 362 and name HA ))
2.500 0.800 0.800 peak 252 spectrum 1 weight 0.10000E+01 volume 0.39186E-02 ppm1 2.962 ppm2 -0.312 CV 1
ASSI { 253}
( segid "PAH " and resid 362 and name HG1%)
(( segid "PAH " and resid 362 and name HA ))
2.400 0.700 0.700 peak 253 spectrum 1 weight 0.10000E+01 volume 0.53789E-02 ppm1 2.961 ppm2 0.514 CV 1
ASSI { 254}
( segid "PAH " and resid 358 and name HG2%)
(( segid "PAH " and resid 358 and name HA ))
2.300 0.600 0.600 peak 254 spectrum 1 weight 0.10000E+01 volume 0.77036E-02 ppm1 3.431 ppm2 0.772 CV 1
ASSI { 258}
( segid "PAH " and resid 331 and name HD1%)
(( segid "PAH " and resid 362 and name HA ))
3.100 1.200 1.200 peak 258 spectrum 1 weight 0.10000E+01 volume 0.11790E-02 ppm1 2.966 ppm2 0.750 CV 1
ASSI { 259}
(( segid "PAH " and resid 365 and name HB2 ))
(( segid "PAH " and resid 362 and name HA ))
3.200 1.200 1.200 peak 259 spectrum 1 weight 0.10000E+01 volume 0.85074E-03 ppm1 2.964 ppm2 1.320 CV 1
ASSI { 261}
(( segid "PAH " and resid 365 and name HG ))
(( segid "PAH " and resid 362 and name HA ))
3.700 1.700 1.700 peak 261 spectrum 1 weight 0.10000E+01 volume 0.43875E-03 ppm1 2.955 ppm2 1.653 CV 1
ASSI { 262}
(( segid "PAH " and resid 361 and name HB2 ))
(( segid "PAH " and resid 361 and name HG1 ))
2.400 0.700 0.700 peak 262 spectrum 1 weight 0.10000E+01 volume 0.52383E-02 ppm1 2.692 ppm2 2.094 CV 1
OR { 262}
(( segid "PAH " and resid 361 and name HB1 ))
(( segid "PAH " and resid 361 and name HG1 ))
ASSI { 263}
(( segid "PAH " and resid 361 and name HG2 ))
(( segid "PAH " and resid 361 and name HG1 ))
1.800 0.400 0.400 peak 263 spectrum 1 weight 0.10000E+01 volume 0.19694E-01 ppm1 2.693 ppm2 2.372 CV 1
ASSI { 264}
(( segid "PAH " and resid 356 and name HA ))
(( segid "PAH " and resid 356 and name HG1 ))
2.800 0.900 0.900 peak 264 spectrum 1 weight 0.10000E+01 volume 0.29407E-02 ppm1 2.530 ppm2 4.124 CV 1
OR { 264}
(( segid "PAH " and resid 356 and name HA ))
(( segid "PAH " and resid 356 and name HG2 ))
ASSI { 267}
(( segid "PAH " and resid 316 and name HA ))
(( segid "PAH " and resid 319 and name HG2 ))
3.500 1.500 1.500 peak 267 spectrum 1 weight 0.10000E+01 volume 0.11857E-02 ppm1 2.444 ppm2 4.362 CV 1
OR { 267}
(( segid "PAH " and resid 316 and name HA ))
(( segid "PAH " and resid 319 and name HG1 ))
ASSI { 271}
(( segid "PAH " and resid 378 and name HA ))
(( segid "PAH " and resid 378 and name HG2 ))
3.000 1.100 1.100 peak 271 spectrum 1 weight 0.10000E+01 volume 0.14804E-02 ppm1 2.105 ppm2 3.988 CV 1
ASSI { 272}
(( segid "PAH " and resid 375 and name HA ))
(( segid "PAH " and resid 378 and name HG1 ))
3.300 1.400 1.400 peak 272 spectrum 1 weight 0.10000E+01 volume 0.72344E-03 ppm1 2.193 ppm2 4.124 CV 1
ASSI { 273}
(( segid "PAH " and resid 375 and name HA ))
(( segid "PAH " and resid 378 and name HG2 ))
3.800 1.800 1.800 peak 273 spectrum 1 weight 0.10000E+01 volume 0.59684E-03 ppm1 2.095 ppm2 4.126 CV 1
ASSI { 276}
( segid "PAH " and resid 334 and name HG2%)
(( segid "PAH " and resid 334 and name HA ))
2.600 0.800 0.800 peak 276 spectrum 1 weight 0.10000E+01 volume 0.37311E-02 ppm1 3.927 ppm2 1.304 CV 1
ASSI { 277}
(( segid "PAH " and resid 337 and name HB1 ))
(( segid "PAH " and resid 334 and name HA ))
2.700 0.900 0.900 peak 277 spectrum 1 weight 0.10000E+01 volume 0.26058E-02 ppm1 3.928 ppm2 1.989 CV 1
OR { 277}
(( segid "PAH " and resid 337 and name HB2 ))
(( segid "PAH " and resid 334 and name HA ))
ASSI { 280}
( segid "PAH " and resid 331 and name HG2%)
(( segid "PAH " and resid 331 and name HA ))
2.500 0.800 0.800 peak 280 spectrum 1 weight 0.10000E+01 volume 0.40593E-02 ppm1 3.740 ppm2 0.813 CV 1
ASSI { 281}
( segid "PAH " and resid 302 and name HG2%)
(( segid "PAH " and resid 302 and name HA ))
2.700 0.900 0.900 peak 281 spectrum 1 weight 0.10000E+01 volume 0.32890E-02 ppm1 3.864 ppm2 0.930 CV 1
ASSI { 282}
( segid "PAH " and resid 302 and name HG1%)
(( segid "PAH " and resid 302 and name HA ))
2.600 0.900 0.900 peak 282 spectrum 1 weight 0.10000E+01 volume 0.35167E-02 ppm1 3.865 ppm2 1.023 CV 1
ASSI { 283}
(( segid "PAH " and resid 331 and name HG12))
(( segid "PAH " and resid 331 and name HA ))
2.700 0.900 0.900 peak 283 spectrum 1 weight 0.10000E+01 volume 0.21972E-02 ppm1 3.742 ppm2 1.077 CV 1
ASSI { 284}
( segid "PAH " and resid 331 and name HD1%)
(( segid "PAH " and resid 331 and name HA ))
3.200 1.300 1.300 peak 284 spectrum 1 weight 0.10000E+01 volume 0.24785E-02 ppm1 3.743 ppm2 0.750 CV 1
ASSI { 286}
( segid "SID " and resid 15 and name HB% )
(( segid "PAH " and resid 308 and name HA ))
2.500 0.800 0.800 peak 286 spectrum 1 weight 0.10000E+01 volume 0.44947E-02 ppm1 3.472 ppm2 1.306 CV 1
ASSI { 287}
(( segid "PAH " and resid 308 and name HG11))
(( segid "PAH " and resid 308 and name HA ))
3.000 1.100 1.100 peak 287 spectrum 1 weight 0.10000E+01 volume 0.18689E-02 ppm1 3.471 ppm2 1.207 CV 1
ASSI { 290}
( segid "PAH " and resid 372 and name HD2%)
(( segid "PAH " and resid 314 and name HA ))
3.000 1.100 1.100 peak 290 spectrum 1 weight 0.10000E+01 volume 0.17617E-02 ppm1 3.151 ppm2 0.219 CV 1
ASSI { 291}
(( segid "PAH " and resid 314 and name HG12))
(( segid "PAH " and resid 314 and name HA ))
2.900 1.000 1.000 peak 291 spectrum 1 weight 0.10000E+01 volume 0.15608E-02 ppm1 3.149 ppm2 0.333 CV 1
ASSI { 296}
(( segid "PAH " and resid 331 and name HG11))
(( segid "PAH " and resid 331 and name HA ))
2.600 0.800 0.800 peak 296 spectrum 1 weight 0.10000E+01 volume 0.40526E-02 ppm1 3.739 ppm2 1.781 CV 1
OR { 296}
(( segid "PAH " and resid 331 and name HB ))
(( segid "PAH " and resid 331 and name HA ))
ASSI { 297}
(( segid "PAH " and resid 302 and name HB ))
(( segid "PAH " and resid 302 and name HA ))
2.900 1.000 1.000 peak 297 spectrum 1 weight 0.10000E+01 volume 0.22574E-02 ppm1 3.865 ppm2 2.084 CV 1
ASSI { 300}
(( segid "PAH " and resid 322 and name HB2 ))
(( segid "PAH " and resid 322 and name HA ))
2.700 0.900 0.900 peak 300 spectrum 1 weight 0.10000E+01 volume 0.42669E-02 ppm1 4.484 ppm2 2.174 CV 1
ASSI { 301}
( segid "PAH " and resid 324 and name HD1%)
(( segid "PAH " and resid 324 and name HA ))
2.500 0.800 0.800 peak 301 spectrum 1 weight 0.10000E+01 volume 0.45818E-02 ppm1 3.700 ppm2 0.786 CV 1
ASSI { 302}
(( segid "PAH " and resid 324 and name HG12))
(( segid "PAH " and resid 324 and name HA ))
2.800 1.000 1.000 peak 302 spectrum 1 weight 0.10000E+01 volume 0.20699E-02 ppm1 3.700 ppm2 1.216 CV 1
ASSI { 304}
(( segid "PAH " and resid 324 and name HB ))
(( segid "PAH " and resid 324 and name HA ))
2.800 1.000 1.000 peak 304 spectrum 1 weight 0.10000E+01 volume 0.21100E-02 ppm1 3.702 ppm2 1.624 CV 1
ASSI { 305}
(( segid "PAH " and resid 301 and name HB2 ))
(( segid "PAH " and resid 301 and name HA ))
2.700 0.900 0.900 peak 305 spectrum 1 weight 0.10000E+01 volume 0.40928E-02 ppm1 4.505 ppm2 2.082 CV 1
OR { 305}
(( segid "PAH " and resid 301 and name HG1 ))
(( segid "PAH " and resid 301 and name HA ))
ASSI { 306}
(( segid "PAH " and resid 381 and name HB2 ))
(( segid "PAH " and resid 381 and name HA ))
2.800 1.000 1.000 peak 306 spectrum 1 weight 0.10000E+01 volume 0.33090E-02 ppm1 4.431 ppm2 1.977 CV 1
ASSI { 307}
(( segid "PAH " and resid 381 and name HG2 ))
(( segid "PAH " and resid 381 and name HA ))
3.200 1.200 1.200 peak 307 spectrum 1 weight 0.10000E+01 volume 0.21302E-02 ppm1 4.431 ppm2 2.064 CV 1
OR { 307}
(( segid "PAH " and resid 381 and name HG1 ))
(( segid "PAH " and resid 381 and name HA ))
ASSI { 309}
(( segid "PAH " and resid 351 and name HB2 ))
(( segid "PAH " and resid 351 and name HA ))
3.000 1.100 1.100 peak 309 spectrum 1 weight 0.10000E+01 volume 0.20565E-02 ppm1 4.392 ppm2 1.913 CV 1
ASSI { 310}
(( segid "PAH " and resid 362 and name HB ))
(( segid "PAH " and resid 359 and name HA ))
2.600 0.900 0.900 peak 310 spectrum 1 weight 0.10000E+01 volume 0.30747E-02 ppm1 3.885 ppm2 1.495 CV 1
ASSI { 313}
(( segid "PAH " and resid 355 and name HB2 ))
(( segid "PAH " and resid 355 and name HA ))
2.700 0.900 0.900 peak 313 spectrum 1 weight 0.10000E+01 volume 0.40794E-02 ppm1 3.718 ppm2 2.029 CV 1
ASSI { 315}
( segid "PAH " and resid 331 and name HD1%)
(( segid "PAH " and resid 328 and name HA ))
2.400 0.700 0.700 peak 315 spectrum 1 weight 0.10000E+01 volume 0.46689E-02 ppm1 3.890 ppm2 0.768 CV 1
ASSI { 317}
( segid "PAH " and resid 358 and name HG1%)
(( segid "PAH " and resid 355 and name HA ))
3.100 1.200 1.200 peak 317 spectrum 1 weight 0.10000E+01 volume 0.19627E-02 ppm1 3.715 ppm2 0.840 CV 1
ASSI { 318}
(( segid "PAH " and resid 382 and name HB1 ))
(( segid "PAH " and resid 382 and name HB2 ))
1.700 0.300 0.500 peak 318 spectrum 1 weight 0.10000E+01 volume 0.34631E-01 ppm1 2.513 ppm2 2.706 CV 1
ASSI { 324}
( segid "SID " and resid 9 and name HG2%)
(( segid "PAH " and resid 332 and name HB2 ))
4.600 2.600 1.400 peak 324 spectrum 1 weight 0.10000E+01 volume 0.47761E-03 ppm1 1.159 ppm2 1.012 CV 1
ASSI { 325}
(( segid "PAH " and resid 329 and name HA ))
(( segid "PAH " and resid 332 and name HB1 ))
4.400 2.400 1.600 peak 325 spectrum 1 weight 0.10000E+01 volume 0.50708E-03 ppm1 1.720 ppm2 3.454 CV 1
ASSI { 327}
( segid "SID " and resid 13 and name HD1%)
(( segid "PAH " and resid 332 and name HB1 ))
3.600 1.600 1.600 peak 327 spectrum 1 weight 0.10000E+01 volume 0.45885E-03 ppm1 1.706 ppm2 0.651 CV 1
ASSI { 331}
(( segid "PAH " and resid 317 and name HD2 ))
(( segid "PAH " and resid 317 and name HD1 ))
1.800 0.400 0.400 peak 331 spectrum 1 weight 0.10000E+01 volume 0.15742E-01 ppm1 3.106 ppm2 3.022 CV 1
ASSI { 333}
(( segid "PAH " and resid 323 and name HB1 ))
(( segid "PAH " and resid 323 and name HB2 ))
1.700 0.300 0.500 peak 333 spectrum 1 weight 0.10000E+01 volume 0.34230E-01 ppm1 2.601 ppm2 2.730 CV 1
ASSI { 345}
(( segid "PAH " and resid 298 and name HA ))
(( segid "PAH " and resid 298 and name HB2 ))
2.800 1.000 1.000 peak 345 spectrum 1 weight 0.10000E+01 volume 0.22775E-02 ppm1 2.728 ppm2 4.642 CV 1
ASSI { 350}
(( segid "PAH " and resid 341 and name HA ))
(( segid "PAH " and resid 341 and name HB1 ))
2.800 1.000 1.000 peak 350 spectrum 1 weight 0.10000E+01 volume 0.26995E-02 ppm1 2.732 ppm2 4.334 CV 1
ASSI { 351}
(( segid "PAH " and resid 338 and name HA ))
(( segid "PAH " and resid 341 and name HB1 ))
3.000 1.100 1.100 peak 351 spectrum 1 weight 0.10000E+01 volume 0.17014E-02 ppm1 2.732 ppm2 4.181 CV 1
ASSI { 352}
( segid "PAH " and resid 350 and name HG2%)
(( segid "PAH " and resid 350 and name HB ))
2.300 0.700 0.700 peak 352 spectrum 1 weight 0.10000E+01 volume 0.65914E-02 ppm1 3.863 ppm2 1.144 CV 1
ASSI { 355}
(( segid "PAH " and resid 359 and name HA ))
(( segid "PAH " and resid 359 and name HB1 ))
3.000 1.200 1.200 peak 355 spectrum 1 weight 0.10000E+01 volume 0.19895E-02 ppm1 3.245 ppm2 3.886 CV 1
ASSI { 358}
(( segid "PAH " and resid 356 and name HA ))
(( segid "PAH " and resid 359 and name HB2 ))
3.500 1.500 1.500 peak 358 spectrum 1 weight 0.10000E+01 volume 0.89759E-03 ppm1 3.028 ppm2 4.113 CV 1
ASSI { 369}
(( segid "PAH " and resid 341 and name HB1 ))
(( segid "PAH " and resid 341 and name HB2 ))
1.800 0.400 0.400 peak 369 spectrum 1 weight 0.10000E+01 volume 0.20765E-01 ppm1 2.386 ppm2 2.744 CV 1
ASSI { 376}
(( segid "PAH " and resid 308 and name HG12))
(( segid "PAH " and resid 308 and name HB ))
3.400 1.500 1.500 peak 376 spectrum 1 weight 0.10000E+01 volume 0.93781E-03 ppm1 1.802 ppm2 0.665 CV 1
ASSI { 379}
(( segid "PAH " and resid 375 and name HG1 ))
(( segid "PAH " and resid 375 and name HG2 ))
1.900 0.400 0.400 peak 379 spectrum 1 weight 0.10000E+01 volume 0.15273E-01 ppm1 1.946 ppm2 2.387 CV 1
ASSI { 380}
(( segid "PAH " and resid 375 and name HB1 ))
(( segid "PAH " and resid 375 and name HG2 ))
2.300 0.700 0.700 peak 380 spectrum 1 weight 0.10000E+01 volume 0.73013E-02 ppm1 1.944 ppm2 2.132 CV 1
ASSI { 382}
(( segid "PAH " and resid 324 and name HG11))
(( segid "PAH " and resid 324 and name HB ))
2.200 0.600 0.600 peak 382 spectrum 1 weight 0.10000E+01 volume 0.73682E-02 ppm1 1.604 ppm2 1.522 CV 1
ASSI { 383}
(( segid "PAH " and resid 324 and name HG12))
(( segid "PAH " and resid 324 and name HB ))
2.700 0.900 0.900 peak 383 spectrum 1 weight 0.10000E+01 volume 0.27397E-02 ppm1 1.602 ppm2 1.216 CV 1
ASSI { 387}
(( segid "PAH " and resid 369 and name HB1 ))
(( segid "PAH " and resid 366 and name HB1 ))
3.700 1.700 1.700 peak 387 spectrum 1 weight 0.10000E+01 volume 0.95789E-03 ppm1 3.733 ppm2 1.880 CV 1
ASSI { 389}
(( segid "PAH " and resid 373 and name HB2 ))
(( segid "PAH " and resid 366 and name HB1 ))
3.800 1.800 1.800 peak 389 spectrum 1 weight 0.10000E+01 volume 0.45282E-03 ppm1 3.734 ppm2 1.739 CV 1
ASSI { 390}
( segid "PAH " and resid 373 and name HD2%)
(( segid "PAH " and resid 366 and name HB2 ))
3.700 1.700 1.700 peak 390 spectrum 1 weight 0.10000E+01 volume 0.40124E-03 ppm1 2.938 ppm2 0.811 CV 1
ASSI { 391}
(( segid "PAH " and resid 373 and name HB2 ))
(( segid "PAH " and resid 366 and name HB2 ))
3.400 1.400 1.400 peak 391 spectrum 1 weight 0.10000E+01 volume 0.57607E-03 ppm1 2.947 ppm2 1.751 CV 1
ASSI { 394}
(( segid "PAH " and resid 366 and name HA ))
(( segid "PAH " and resid 366 and name HB2 ))
3.400 1.400 1.400 peak 394 spectrum 1 weight 0.10000E+01 volume 0.11387E-02 ppm1 2.941 ppm2 4.934 CV 1
ASSI { 395}
(( segid "PAH " and resid 358 and name HB ))
(( segid "PAH " and resid 358 and name HA ))
2.900 1.100 1.100 peak 395 spectrum 1 weight 0.10000E+01 volume 0.18287E-02 ppm1 3.435 ppm2 2.167 CV 1
ASSI { 396}
(( segid "PAH " and resid 361 and name HB1 ))
(( segid "PAH " and resid 358 and name HA ))
2.700 0.900 0.900 peak 396 spectrum 1 weight 0.10000E+01 volume 0.24918E-02 ppm1 3.437 ppm2 2.097 CV 1
OR { 396}
(( segid "PAH " and resid 361 and name HB2 ))
(( segid "PAH " and resid 358 and name HA ))
ASSI { 397}
(( segid "PAH " and resid 321 and name HA ))
(( segid "PAH " and resid 321 and name HG1 ))
2.900 1.000 1.000 peak 397 spectrum 1 weight 0.10000E+01 volume 0.18890E-02 ppm1 2.471 ppm2 4.966 CV 1
ASSI { 398}
(( segid "PAH " and resid 321 and name HA ))
(( segid "PAH " and resid 321 and name HG2 ))
3.100 1.200 1.200 peak 398 spectrum 1 weight 0.10000E+01 volume 0.13665E-02 ppm1 2.376 ppm2 4.964 CV 1
ASSI { 399}
(( segid "PAH " and resid 321 and name HG1 ))
(( segid "PAH " and resid 321 and name HG2 ))
1.500 0.300 0.700 peak 399 spectrum 1 weight 0.10000E+01 volume 0.54861E-01 ppm1 2.377 ppm2 2.483 CV 1
ASSI { 400}
(( segid "PAH " and resid 356 and name HB1 ))
(( segid "PAH " and resid 356 and name HG1 ))
2.300 0.700 0.700 peak 400 spectrum 1 weight 0.10000E+01 volume 0.66919E-02 ppm1 2.531 ppm2 2.177 CV 1
OR { 400}
(( segid "PAH " and resid 356 and name HB1 ))
(( segid "PAH " and resid 356 and name HG2 ))
ASSI { 401}
(( segid "PAH " and resid 356 and name HB2 ))
(( segid "PAH " and resid 356 and name HG2 ))
2.400 0.700 0.700 peak 401 spectrum 1 weight 0.10000E+01 volume 0.62363E-02 ppm1 2.528 ppm2 2.106 CV 1
OR { 401}
(( segid "PAH " and resid 356 and name HB2 ))
(( segid "PAH " and resid 356 and name HG1 ))
ASSI { 403}
(( segid "PAH " and resid 321 and name HB2 ))
(( segid "PAH " and resid 321 and name HG2 ))
2.200 0.600 0.600 peak 403 spectrum 1 weight 0.10000E+01 volume 0.10115E-01 ppm1 2.381 ppm2 2.201 CV 1
ASSI { 404}
(( segid "PAH " and resid 361 and name HB1 ))
(( segid "PAH " and resid 361 and name HG2 ))
2.100 0.600 0.600 peak 404 spectrum 1 weight 0.10000E+01 volume 0.12124E-01 ppm1 2.354 ppm2 2.103 CV 1
OR { 404}
(( segid "PAH " and resid 361 and name HB2 ))
(( segid "PAH " and resid 361 and name HG2 ))
ASSI { 407}
(( segid "PAH " and resid 324 and name HG11))
(( segid "PAH " and resid 321 and name HG1 ))
3.700 1.700 1.700 peak 407 spectrum 1 weight 0.10000E+01 volume 0.54995E-03 ppm1 2.482 ppm2 1.521 CV 1
ASSI { 408}
(( segid "PAH " and resid 324 and name HG11))
(( segid "PAH " and resid 321 and name HG2 ))
3.900 1.900 1.900 peak 408 spectrum 1 weight 0.10000E+01 volume 0.36038E-03 ppm1 2.374 ppm2 1.520 CV 1
ASSI { 409}
( segid "PAH " and resid 324 and name HD1%)
(( segid "PAH " and resid 321 and name HG1 ))
3.400 1.400 1.400 peak 409 spectrum 1 weight 0.10000E+01 volume 0.55129E-03 ppm1 2.475 ppm2 0.784 CV 1
ASSI { 411}
( segid "SID " and resid 13 and name HD1%)
(( segid "PAH " and resid 336 and name HG1 ))
3.500 1.500 1.500 peak 411 spectrum 1 weight 0.10000E+01 volume 0.72344E-03 ppm1 2.422 ppm2 0.655 CV 1
ASSI { 412}
( segid "SID " and resid 13 and name HD1%)
(( segid "PAH " and resid 336 and name HG2 ))
3.500 1.500 1.500 peak 412 spectrum 1 weight 0.10000E+01 volume 0.71675E-03 ppm1 2.330 ppm2 0.655 CV 1
ASSI { 415}
(( segid "PAH " and resid 322 and name HB1 ))
(( segid "PAH " and resid 322 and name HA ))
2.300 0.700 0.700 peak 415 spectrum 1 weight 0.10000E+01 volume 0.56335E-02 ppm1 4.486 ppm2 2.474 CV 1
ASSI { 416}
(( segid "PAH " and resid 325 and name HB1 ))
(( segid "PAH " and resid 322 and name HA ))
3.100 1.200 1.200 peak 416 spectrum 1 weight 0.10000E+01 volume 0.10785E-02 ppm1 4.485 ppm2 3.160 CV 1
ASSI { 417}
(( segid "PAH " and resid 305 and name HB1 ))
(( segid "PAH " and resid 302 and name HA ))
3.500 1.500 1.500 peak 417 spectrum 1 weight 0.10000E+01 volume 0.70335E-03 ppm1 3.868 ppm2 2.923 CV 1
ASSI { 418}
(( segid "PAH " and resid 305 and name HB2 ))
(( segid "PAH " and resid 302 and name HA ))
4.000 2.000 2.000 peak 418 spectrum 1 weight 0.10000E+01 volume 0.25588E-03 ppm1 3.867 ppm2 2.818 CV 1
ASSI { 419}
(( segid "PAH " and resid 334 and name HB ))
(( segid "PAH " and resid 331 and name HA ))
2.800 1.000 1.000 peak 419 spectrum 1 weight 0.10000E+01 volume 0.23311E-02 ppm1 3.740 ppm2 4.405 CV 1
ASSI { 422}
(( segid "PAH " and resid 300 and name HA ))
(( segid "PAH " and resid 300 and name HG1 ))
3.400 1.400 1.400 peak 422 spectrum 1 weight 0.10000E+01 volume 0.97797E-03 ppm1 2.300 ppm2 4.725 CV 1
ASSI { 426}
(( segid "PAH " and resid 351 and name HD1 ))
(( segid "PAH " and resid 351 and name HB1 ))
3.500 1.500 1.500 peak 426 spectrum 1 weight 0.10000E+01 volume 0.10584E-02 ppm1 2.326 ppm2 3.769 CV 1
OR { 426}
(( segid "PAH " and resid 351 and name HD2 ))
(( segid "PAH " and resid 351 and name HB1 ))
ASSI { 430}
(( segid "PAH " and resid 323 and name HA ))
(( segid "PAH " and resid 326 and name HB1 ))
2.400 0.700 0.700 peak 430 spectrum 1 weight 0.10000E+01 volume 0.63703E-02 ppm1 1.879 ppm2 4.426 CV 1
OR { 430}
(( segid "PAH " and resid 323 and name HA ))
(( segid "PAH " and resid 326 and name HB2 ))
ASSI { 434}
(( segid "PAH " and resid 343 and name HA ))
(( segid "PAH " and resid 343 and name HB1 ))
2.300 0.700 0.700 peak 434 spectrum 1 weight 0.10000E+01 volume 0.75690E-02 ppm1 1.938 ppm2 4.135 CV 1
OR { 434}
(( segid "PAH " and resid 343 and name HA ))
(( segid "PAH " and resid 343 and name HB2 ))
ASSI { 436}
(( segid "PAH " and resid 351 and name HB1 ))
(( segid "PAH " and resid 351 and name HB2 ))
1.800 0.400 0.400 peak 436 spectrum 1 weight 0.10000E+01 volume 0.17416E-01 ppm1 1.895 ppm2 2.340 CV 1
ASSI { 437}
(( segid "PAH " and resid 381 and name HB1 ))
(( segid "PAH " and resid 381 and name HB2 ))
1.800 0.400 0.400 peak 437 spectrum 1 weight 0.10000E+01 volume 0.16947E-01 ppm1 1.962 ppm2 2.313 CV 1
ASSI { 438}
(( segid "PAH " and resid 351 and name HG1 ))
(( segid "PAH " and resid 351 and name HB1 ))
2.000 2.000 4.000 peak 438 spectrum 1 weight 0.10000E+01 volume 0.12258E-01 ppm1 2.321 ppm2 2.104 CV 1
ASSI { 439}
(( segid "PAH " and resid 381 and name HG2 ))
(( segid "PAH " and resid 381 and name HB1 ))
2.000 0.500 0.500 peak 439 spectrum 1 weight 0.10000E+01 volume 0.17282E-01 ppm1 2.298 ppm2 2.062 CV 1
OR { 439}
(( segid "PAH " and resid 381 and name HG1 ))
(( segid "PAH " and resid 381 and name HB1 ))
ASSI { 442}
(( segid "PAH " and resid 351 and name HG1 ))
(( segid "PAH " and resid 351 and name HB2 ))
2.000 0.500 0.500 peak 442 spectrum 1 weight 0.10000E+01 volume 0.31081E-01 ppm1 1.896 ppm2 2.105 CV 1
ASSI { 443}
(( segid "PAH " and resid 326 and name HD2 ))
(( segid "PAH " and resid 326 and name HB2 ))
2.200 0.600 0.600 peak 443 spectrum 1 weight 0.10000E+01 volume 0.11120E-01 ppm1 1.882 ppm2 1.712 CV 1
OR { 443}
(( segid "PAH " and resid 326 and name HD1 ))
(( segid "PAH " and resid 326 and name HB2 ))
OR { 443}
(( segid "PAH " and resid 326 and name HD2 ))
(( segid "PAH " and resid 326 and name HB1 ))
OR { 443}
(( segid "PAH " and resid 326 and name HD1 ))
(( segid "PAH " and resid 326 and name HB1 ))
ASSI { 445}
(( segid "PAH " and resid 326 and name HG1 ))
(( segid "PAH " and resid 326 and name HB2 ))
2.000 0.500 0.500 peak 445 spectrum 1 weight 0.10000E+01 volume 0.17885E-01 ppm1 1.883 ppm2 1.657 CV 1
OR { 445}
(( segid "PAH " and resid 326 and name HG1 ))
(( segid "PAH " and resid 326 and name HB1 ))
ASSI { 449}
(( segid "PAH " and resid 315 and name HB2 ))
(( segid "PAH " and resid 315 and name HB1 ))
1.800 0.400 0.400 peak 449 spectrum 1 weight 0.10000E+01 volume 0.17885E-01 ppm1 1.609 ppm2 1.360 CV 1
ASSI { 451}
(( segid "PAH " and resid 301 and name HA ))
(( segid "PAH " and resid 301 and name HB1 ))
2.300 0.700 0.700 peak 451 spectrum 1 weight 0.10000E+01 volume 0.59483E-02 ppm1 2.393 ppm2 4.519 CV 1
ASSI { 452}
(( segid "PAH " and resid 381 and name HA ))
(( segid "PAH " and resid 381 and name HB1 ))
2.200 0.600 0.600 peak 452 spectrum 1 weight 0.10000E+01 volume 0.72344E-02 ppm1 2.301 ppm2 4.441 CV 1
ASSI { 454}
(( segid "PAH " and resid 381 and name HD1 ))
(( segid "PAH " and resid 381 and name HB1 ))
3.200 1.300 1.300 peak 454 spectrum 1 weight 0.10000E+01 volume 0.15206E-02 ppm1 2.301 ppm2 3.666 CV 1
OR { 454}
(( segid "PAH " and resid 381 and name HD2 ))
(( segid "PAH " and resid 381 and name HB1 ))
ASSI { 455}
(( segid "PAH " and resid 381 and name HD2 ))
(( segid "PAH " and resid 381 and name HB2 ))
3.800 1.800 1.800 peak 455 spectrum 1 weight 0.10000E+01 volume 0.68995E-03 ppm1 1.962 ppm2 3.666 CV 1
OR { 455}
(( segid "PAH " and resid 381 and name HD1 ))
(( segid "PAH " and resid 381 and name HB2 ))
ASSI { 457}
(( segid "PAH " and resid 312 and name HA ))
(( segid "PAH " and resid 315 and name HB2 ))
3.300 1.400 1.400 peak 457 spectrum 1 weight 0.10000E+01 volume 0.15406E-02 ppm1 1.355 ppm2 4.376 CV 1
ASSI { 459}
(( segid "PAH " and resid 301 and name HA ))
(( segid "PAH " and resid 301 and name HB2 ))
3.100 1.200 1.200 peak 459 spectrum 1 weight 0.10000E+01 volume 0.18153E-02 ppm1 2.065 ppm2 4.517 CV 1
ASSI { 463}
(( segid "PAH " and resid 301 and name HB1 ))
(( segid "PAH " and resid 301 and name HB2 ))
1.900 0.400 0.400 peak 463 spectrum 1 weight 0.10000E+01 volume 0.16009E-01 ppm1 2.064 ppm2 2.407 CV 1
ASSI { 464}
(( segid "PAH " and resid 301 and name HB2 ))
(( segid "PAH " and resid 301 and name HB1 ))
1.800 0.400 0.400 peak 464 spectrum 1 weight 0.10000E+01 volume 0.20565E-01 ppm1 2.393 ppm2 2.082 CV 1
OR { 464}
(( segid "PAH " and resid 301 and name HG1 ))
(( segid "PAH " and resid 301 and name HB1 ))
ASSI { 465}
(( segid "PAH " and resid 313 and name HG2 ))
(( segid "PAH " and resid 313 and name HB1 ))
2.900 1.000 1.000 peak 465 spectrum 1 weight 0.10000E+01 volume 0.13196E-02 ppm1 1.994 ppm2 1.197 CV 1
ASSI { 467}
( segid "PAH " and resid 302 and name HG1%)
(( segid "PAH " and resid 302 and name HB ))
2.400 0.700 0.700 peak 467 spectrum 1 weight 0.10000E+01 volume 0.62029E-02 ppm1 2.076 ppm2 1.024 CV 1
ASSI { 468}
( segid "PAH " and resid 302 and name HG2%)
(( segid "PAH " and resid 302 and name HB ))
2.300 0.700 0.700 peak 468 spectrum 1 weight 0.10000E+01 volume 0.69665E-02 ppm1 2.075 ppm2 0.935 CV 1
ASSI { 470}
( segid "PAH " and resid 372 and name HD1%)
(( segid "PAH " and resid 313 and name HB1 ))
3.400 1.500 1.500 peak 470 spectrum 1 weight 0.10000E+01 volume 0.46890E-03 ppm1 1.946 ppm2 0.550 CV 1
OR { 470}
( segid "PAH " and resid 372 and name HD1%)
(( segid "PAH " and resid 313 and name HB2 ))
ASSI { 476}
(( segid "PAH " and resid 304 and name HB2 ))
(( segid "PAH " and resid 301 and name HA ))
3.500 1.500 1.500 peak 476 spectrum 1 weight 0.10000E+01 volume 0.63436E-03 ppm1 4.505 ppm2 3.042 CV 1
ASSI { 477}
(( segid "PAH " and resid 381 and name HD1 ))
(( segid "PAH " and resid 381 and name HA ))
3.600 1.600 1.600 peak 477 spectrum 1 weight 0.10000E+01 volume 0.56870E-03 ppm1 4.433 ppm2 3.659 CV 1
OR { 477}
(( segid "PAH " and resid 381 and name HD2 ))
(( segid "PAH " and resid 381 and name HA ))
ASSI { 480}
(( segid "PAH " and resid 322 and name HD2 ))
(( segid "PAH " and resid 322 and name HB1 ))
4.000 2.000 2.000 peak 480 spectrum 1 weight 0.10000E+01 volume 0.63167E-03 ppm1 2.462 ppm2 3.497 CV 1
ASSI { 482}
(( segid "PAH " and resid 322 and name HB1 ))
(( segid "PAH " and resid 322 and name HB2 ))
1.800 0.400 0.400 peak 482 spectrum 1 weight 0.10000E+01 volume 0.16613E-01 ppm1 2.168 ppm2 2.474 CV 1
ASSI { 484}
(( segid "PAH " and resid 367 and name HA ))
(( segid "PAH " and resid 367 and name HB2 ))
2.400 0.700 0.700 peak 484 spectrum 1 weight 0.10000E+01 volume 0.51713E-02 ppm1 1.894 ppm2 4.057 CV 1
ASSI { 485}
(( segid "PAH " and resid 367 and name HG1 ))
(( segid "PAH " and resid 367 and name HB1 ))
2.400 0.700 0.700 peak 485 spectrum 1 weight 0.10000E+01 volume 0.60555E-02 ppm1 2.030 ppm2 1.515 CV 1
OR { 485}
(( segid "PAH " and resid 367 and name HG2 ))
(( segid "PAH " and resid 367 and name HB1 ))
ASSI { 489}
( segid "PAH " and resid 358 and name HG2%)
(( segid "PAH " and resid 358 and name HB ))
2.200 0.600 0.600 peak 489 spectrum 1 weight 0.10000E+01 volume 0.90428E-02 ppm1 2.159 ppm2 0.770 CV 1
ASSI { 490}
( segid "PAH " and resid 358 and name HG1%)
(( segid "PAH " and resid 358 and name HB ))
2.300 0.600 0.600 peak 490 spectrum 1 weight 0.10000E+01 volume 0.69665E-02 ppm1 2.159 ppm2 0.841 CV 1
ASSI { 491}
( segid "PAH " and resid 311 and name HG2%)
(( segid "PAH " and resid 311 and name HB ))
2.300 0.700 0.700 peak 491 spectrum 1 weight 0.10000E+01 volume 0.68325E-02 ppm1 2.089 ppm2 1.169 CV 1
ASSI { 492}
( segid "PAH " and resid 311 and name HG1%)
(( segid "PAH " and resid 311 and name HB ))
2.300 0.700 0.700 peak 492 spectrum 1 weight 0.10000E+01 volume 0.61962E-02 ppm1 2.090 ppm2 1.232 CV 1
ASSI { 493}
(( segid "PAH " and resid 367 and name HB2 ))
(( segid "PAH " and resid 367 and name HB1 ))
1.400 0.200 0.800 peak 493 spectrum 1 weight 0.10000E+01 volume 0.82390E-01 ppm1 2.032 ppm2 1.917 CV 1
ASSI { 495}
(( segid "PAH " and resid 369 and name HB1 ))
(( segid "PAH " and resid 369 and name HG1 ))
2.800 1.000 1.000 peak 495 spectrum 1 weight 0.10000E+01 volume 0.21435E-02 ppm1 2.448 ppm2 1.882 CV 1
ASSI { 496}
(( segid "PAH " and resid 369 and name HB2 ))
(( segid "PAH " and resid 369 and name HG1 ))
2.800 1.000 1.000 peak 496 spectrum 1 weight 0.10000E+01 volume 0.21435E-02 ppm1 2.448 ppm2 1.818 CV 1
ASSI { 497}
(( segid "PAH " and resid 369 and name HB2 ))
(( segid "PAH " and resid 369 and name HG2 ))
2.800 1.000 1.000 peak 497 spectrum 1 weight 0.10000E+01 volume 0.19761E-02 ppm1 2.265 ppm2 1.812 CV 1
ASSI { 498}
(( segid "PAH " and resid 369 and name HB1 ))
(( segid "PAH " and resid 369 and name HG2 ))
2.900 1.100 1.100 peak 498 spectrum 1 weight 0.10000E+01 volume 0.22440E-02 ppm1 2.264 ppm2 1.890 CV 1
ASSI { 499}
(( segid "PAH " and resid 321 and name HB2 ))
(( segid "PAH " and resid 321 and name HB1 ))
1.900 0.400 0.400 peak 499 spectrum 1 weight 0.10000E+01 volume 0.13598E-01 ppm1 2.369 ppm2 2.199 CV 1
ASSI { 500}
(( segid "PAH " and resid 369 and name HG2 ))
(( segid "PAH " and resid 369 and name HG1 ))
1.900 0.400 0.400 peak 500 spectrum 1 weight 0.10000E+01 volume 0.14201E-01 ppm1 2.439 ppm2 2.275 CV 1
ASSI { 503}
(( segid "PAH " and resid 322 and name HG2 ))
(( segid "PAH " and resid 322 and name HB1 ))
2.600 0.800 0.800 peak 503 spectrum 1 weight 0.10000E+01 volume 0.74352E-02 ppm1 2.458 ppm2 2.096 CV 1
ASSI { 505}
(( segid "PAH " and resid 355 and name HA ))
(( segid "PAH " and resid 358 and name HB ))
2.700 0.900 0.900 peak 505 spectrum 1 weight 0.10000E+01 volume 0.28000E-02 ppm1 2.159 ppm2 3.728 CV 1
ASSI { 507}
(( segid "PAH " and resid 321 and name HA ))
(( segid "PAH " and resid 321 and name HB2 ))
3.100 1.200 1.200 peak 507 spectrum 1 weight 0.10000E+01 volume 0.12593E-02 ppm1 2.183 ppm2 4.963 CV 1
ASSI { 508}
(( segid "PAH " and resid 359 and name HB2 ))
(( segid "PAH " and resid 359 and name HA ))
2.600 0.900 0.900 peak 508 spectrum 1 weight 0.10000E+01 volume 0.29340E-02 ppm1 3.884 ppm2 3.063 CV 1
ASSI { 511}
( segid "PAH " and resid 362 and name HG1%)
(( segid "PAH " and resid 359 and name HA ))
3.300 1.400 1.400 peak 511 spectrum 1 weight 0.10000E+01 volume 0.14402E-02 ppm1 3.882 ppm2 0.513 CV 1
ASSI { 514}
(( segid "PAH " and resid 338 and name HB2 ))
(( segid "PAH " and resid 351 and name HA ))
3.200 1.300 1.300 peak 514 spectrum 1 weight 0.10000E+01 volume 0.14804E-02 ppm1 4.387 ppm2 2.248 CV 1
OR { 514}
(( segid "PAH " and resid 338 and name HB1 ))
(( segid "PAH " and resid 351 and name HA ))
ASSI { 515}
(( segid "PAH " and resid 351 and name HB1 ))
(( segid "PAH " and resid 351 and name HA ))
2.300 0.700 0.700 peak 515 spectrum 1 weight 0.10000E+01 volume 0.57139E-02 ppm1 4.391 ppm2 2.339 CV 1
ASSI { 516}
(( segid "PAH " and resid 374 and name HA ))
(( segid "PAH " and resid 374 and name HB2 ))
2.000 0.500 0.500 peak 516 spectrum 1 weight 0.10000E+01 volume 0.17216E-01 ppm1 4.087 ppm2 4.360 CV 1
OR { 516}
(( segid "PAH " and resid 374 and name HA ))
(( segid "PAH " and resid 374 and name HB1 ))
ASSI { 517}
(( segid "PAH " and resid 311 and name HA ))
(( segid "PAH " and resid 311 and name HB ))
3.300 1.400 1.400 peak 517 spectrum 1 weight 0.10000E+01 volume 0.82390E-03 ppm1 2.091 ppm2 3.410 CV 1
ASSI { 518}
(( segid "PAH " and resid 308 and name HA ))
(( segid "PAH " and resid 311 and name HB ))
3.200 1.300 1.300 peak 518 spectrum 1 weight 0.10000E+01 volume 0.87082E-03 ppm1 2.092 ppm2 3.483 CV 1
ASSI { 520}
(( segid "PAH " and resid 362 and name HA ))
(( segid "PAH " and resid 362 and name HB ))
3.000 1.100 1.100 peak 520 spectrum 1 weight 0.10000E+01 volume 0.16613E-02 ppm1 1.471 ppm2 2.975 CV 1
ASSI { 522}
( segid "PAH " and resid 362 and name HG1%)
(( segid "PAH " and resid 362 and name HB ))
2.300 0.700 0.700 peak 522 spectrum 1 weight 0.10000E+01 volume 0.61828E-02 ppm1 1.481 ppm2 0.514 CV 1
ASSI { 523}
( segid "PAH " and resid 362 and name HG2%)
(( segid "PAH " and resid 362 and name HB ))
2.300 0.600 0.600 peak 523 spectrum 1 weight 0.10000E+01 volume 0.67655E-02 ppm1 1.477 ppm2 -0.318 CV 1
ASSI { 525}
(( segid "PAH " and resid 321 and name HG1 ))
(( segid "PAH " and resid 321 and name HB1 ))
2.100 0.600 0.600 peak 525 spectrum 1 weight 0.10000E+01 volume 0.12124E-01 ppm1 2.366 ppm2 2.478 CV 1
ASSI { 526}
(( segid "PAH " and resid 324 and name HG11))
(( segid "PAH " and resid 321 and name HB1 ))
4.300 2.300 1.700 peak 526 spectrum 1 weight 0.10000E+01 volume 0.18823E-03 ppm1 2.367 ppm2 1.523 CV 1
ASSI { 530}
( segid "SID " and resid 15 and name HB% )
(( segid "PAH " and resid 311 and name HB ))
3.200 1.300 1.300 peak 530 spectrum 1 weight 0.10000E+01 volume 0.12460E-02 ppm1 2.084 ppm2 1.307 CV 1
ASSI { 536}
(( segid "PAH " and resid 313 and name HB1 ))
(( segid "PAH " and resid 313 and name HD2 ))
2.300 0.700 0.700 peak 536 spectrum 1 weight 0.10000E+01 volume 0.62833E-02 ppm1 1.685 ppm2 1.994 CV 1
OR { 536}
(( segid "PAH " and resid 313 and name HB1 ))
(( segid "PAH " and resid 313 and name HD1 ))
ASSI { 538}
(( segid "PAH " and resid 375 and name HB1 ))
(( segid "PAH " and resid 375 and name HB2 ))
1.600 0.300 0.600 peak 538 spectrum 1 weight 0.10000E+01 volume 0.30947E-01 ppm1 1.947 ppm2 2.133 CV 1
ASSI { 541}
(( segid "PAH " and resid 321 and name HG1 ))
(( segid "PAH " and resid 321 and name HB2 ))
2.200 2.200 3.800 peak 541 spectrum 1 weight 0.10000E+01 volume 0.10249E-01 ppm1 2.183 ppm2 2.478 CV 1
ASSI { 542}
(( segid "PAH " and resid 313 and name HE1 ))
(( segid "PAH " and resid 313 and name HD2 ))
2.700 0.900 0.900 peak 542 spectrum 1 weight 0.10000E+01 volume 0.29474E-02 ppm1 1.685 ppm2 2.914 CV 1
OR { 542}
(( segid "PAH " and resid 313 and name HE1 ))
(( segid "PAH " and resid 313 and name HD1 ))
ASSI { 544}
(( segid "PAH " and resid 364 and name HD1 ))
(( segid "PAH " and resid 364 and name HB1 ))
2.600 0.800 0.800 peak 544 spectrum 1 weight 0.10000E+01 volume 0.37043E-02 ppm1 1.868 ppm2 3.234 CV 1
OR { 544}
(( segid "PAH " and resid 364 and name HD2 ))
(( segid "PAH " and resid 364 and name HB1 ))
OR { 544}
(( segid "PAH " and resid 364 and name HD1 ))
(( segid "PAH " and resid 364 and name HB2 ))
OR { 544}
(( segid "PAH " and resid 364 and name HD2 ))
(( segid "PAH " and resid 364 and name HB2 ))
ASSI { 546}
( segid "PAH " and resid 372 and name HD1%)
(( segid "PAH " and resid 313 and name HD2 ))
2.800 1.000 1.000 peak 546 spectrum 1 weight 0.10000E+01 volume 0.26058E-02 ppm1 1.685 ppm2 0.547 CV 1
OR { 546}
( segid "PAH " and resid 372 and name HD1%)
(( segid "PAH " and resid 313 and name HD1 ))
ASSI { 551}
(( segid "PAH " and resid 357 and name HA ))
(( segid "PAH " and resid 357 and name HB1 ))
2.800 1.000 1.000 peak 551 spectrum 1 weight 0.10000E+01 volume 0.24383E-02 ppm1 2.325 ppm2 4.261 CV 1
ASSI { 557}
(( segid "PAH " and resid 357 and name HB2 ))
(( segid "PAH " and resid 357 and name HB1 ))
1.800 0.400 0.400 peak 557 spectrum 1 weight 0.10000E+01 volume 0.19158E-01 ppm1 2.319 ppm2 2.113 CV 1
ASSI { 558}
( segid "PAH " and resid 353 and name HD2%)
(( segid "PAH " and resid 357 and name HB1 ))
3.200 1.300 1.300 peak 558 spectrum 1 weight 0.10000E+01 volume 0.97128E-03 ppm1 2.320 ppm2 0.955 CV 1
OR { 558}
( segid "PAH " and resid 353 and name HD1%)
(( segid "PAH " and resid 357 and name HB1 ))
ASSI { 563}
(( segid "PAH " and resid 335 and name HB1 ))
(( segid "PAH " and resid 335 and name HA ))
3.300 1.300 1.300 peak 563 spectrum 1 weight 0.10000E+01 volume 0.13263E-02 ppm1 4.084 ppm2 3.261 CV 1
ASSI { 564}
(( segid "PAH " and resid 335 and name HB2 ))
(( segid "PAH " and resid 335 and name HA ))
2.600 0.900 0.900 peak 564 spectrum 1 weight 0.10000E+01 volume 0.26258E-02 ppm1 4.086 ppm2 3.006 CV 1
ASSI { 565}
(( segid "PAH " and resid 338 and name HB1 ))
(( segid "PAH " and resid 335 and name HA ))
3.300 1.400 1.400 peak 565 spectrum 1 weight 0.10000E+01 volume 0.81720E-03 ppm1 4.079 ppm2 2.249 CV 1
OR { 565}
(( segid "PAH " and resid 338 and name HB2 ))
(( segid "PAH " and resid 335 and name HA ))
ASSI { 566}
(( segid "PAH " and resid 355 and name HG2 ))
(( segid "PAH " and resid 355 and name HA ))
2.600 0.800 0.800 peak 566 spectrum 1 weight 0.10000E+01 volume 0.33694E-02 ppm1 3.717 ppm2 2.402 CV 1
ASSI { 567}
(( segid "PAH " and resid 355 and name HG1 ))
(( segid "PAH " and resid 355 and name HA ))
3.100 1.200 1.200 peak 567 spectrum 1 weight 0.10000E+01 volume 0.19627E-02 ppm1 3.718 ppm2 2.485 CV 1
ASSI { 568}
(( segid "PAH " and resid 341 and name HA ))
(( segid "PAH " and resid 344 and name HB1 ))
3.100 1.200 1.200 peak 568 spectrum 1 weight 0.10000E+01 volume 0.11053E-02 ppm1 2.081 ppm2 4.339 CV 1
ASSI { 571}
(( segid "PAH " and resid 337 and name HA ))
(( segid "PAH " and resid 340 and name HB2 ))
2.700 0.900 0.900 peak 571 spectrum 1 weight 0.10000E+01 volume 0.25321E-02 ppm1 1.909 ppm2 3.983 CV 1
OR { 571}
(( segid "PAH " and resid 337 and name HA ))
(( segid "PAH " and resid 340 and name HB1 ))
ASSI { 572}
(( segid "PAH " and resid 370 and name HA ))
(( segid "PAH " and resid 370 and name HB1 ))
2.200 0.600 0.600 peak 572 spectrum 1 weight 0.10000E+01 volume 0.89759E-02 ppm1 2.136 ppm2 4.003 CV 1
OR { 572}
(( segid "PAH " and resid 370 and name HA ))
(( segid "PAH " and resid 370 and name HB2 ))
ASSI { 577}
(( segid "PAH " and resid 340 and name HD2 ))
(( segid "PAH " and resid 340 and name HB2 ))
2.700 0.900 0.900 peak 577 spectrum 1 weight 0.10000E+01 volume 0.29875E-02 ppm1 1.914 ppm2 3.188 CV 1
OR { 577}
(( segid "PAH " and resid 340 and name HD1 ))
(( segid "PAH " and resid 340 and name HB2 ))
OR { 577}
(( segid "PAH " and resid 340 and name HD1 ))
(( segid "PAH " and resid 340 and name HB1 ))
ASSI { 578}
(( segid "PAH " and resid 338 and name HG1 ))
(( segid "PAH " and resid 338 and name HB2 ))
2.200 0.600 0.600 peak 578 spectrum 1 weight 0.10000E+01 volume 0.83728E-02 ppm1 2.230 ppm2 2.514 CV 1
OR { 578}
(( segid "PAH " and resid 338 and name HG1 ))
(( segid "PAH " and resid 338 and name HB1 ))
ASSI { 582}
(( segid "PAH " and resid 300 and name HG2 ))
(( segid "PAH " and resid 300 and name HB1 ))
1.800 0.400 0.400 peak 582 spectrum 1 weight 0.10000E+01 volume 0.31885E-01 ppm1 1.947 ppm2 2.235 CV 1
OR { 582}
(( segid "PAH " and resid 300 and name HG2 ))
(( segid "PAH " and resid 300 and name HB2 ))
ASSI { 584}
(( segid "PAH " and resid 337 and name HB1 ))
(( segid "PAH " and resid 337 and name HD1 ))
2.200 0.600 0.600 peak 584 spectrum 1 weight 0.10000E+01 volume 0.92443E-02 ppm1 1.697 ppm2 2.000 CV 1
OR { 584}
(( segid "PAH " and resid 337 and name HB1 ))
(( segid "PAH " and resid 337 and name HD2 ))
ASSI { 585}
(( segid "PAH " and resid 340 and name HG1 ))
(( segid "PAH " and resid 340 and name HB1 ))
2.000 0.500 0.500 peak 585 spectrum 1 weight 0.10000E+01 volume 0.15876E-01 ppm1 1.914 ppm2 1.749 CV 1
OR { 585}
(( segid "PAH " and resid 340 and name HG1 ))
(( segid "PAH " and resid 340 and name HB2 ))
ASSI { 587}
(( segid "PAH " and resid 367 and name HG2 ))
(( segid "PAH " and resid 367 and name HD1 ))
2.100 0.500 0.500 peak 587 spectrum 1 weight 0.10000E+01 volume 0.12593E-01 ppm1 1.785 ppm2 1.513 CV 1
OR { 587}
(( segid "PAH " and resid 367 and name HG1 ))
(( segid "PAH " and resid 367 and name HD2 ))
OR { 587}
(( segid "PAH " and resid 367 and name HG1 ))
(( segid "PAH " and resid 367 and name HD1 ))
OR { 587}
(( segid "PAH " and resid 367 and name HG2 ))
(( segid "PAH " and resid 367 and name HD2 ))
ASSI { 590}
( segid "SID " and resid 19 and name HD2%)
(( segid "PAH " and resid 315 and name HD2 ))
3.100 1.200 1.200 peak 590 spectrum 1 weight 0.10000E+01 volume 0.12057E-02 ppm1 1.436 ppm2 0.979 CV 1
OR { 590}
( segid "SID " and resid 19 and name HD1%)
(( segid "PAH " and resid 315 and name HD2 ))
OR { 590}
( segid "SID " and resid 19 and name HD2%)
(( segid "PAH " and resid 315 and name HD1 ))
OR { 590}
( segid "SID " and resid 19 and name HD1%)
(( segid "PAH " and resid 315 and name HD1 ))
ASSI { 591}
(( segid "PAH " and resid 315 and name HB1 ))
(( segid "PAH " and resid 315 and name HD2 ))
2.600 0.800 0.800 peak 591 spectrum 1 weight 0.10000E+01 volume 0.37177E-02 ppm1 1.436 ppm2 1.619 CV 1
OR { 591}
(( segid "PAH " and resid 315 and name HB1 ))
(( segid "PAH " and resid 315 and name HD1 ))
ASSI { 596}
(( segid "PAH " and resid 300 and name HA ))
(( segid "PAH " and resid 300 and name HB1 ))
3.200 1.300 1.300 peak 596 spectrum 1 weight 0.10000E+01 volume 0.10450E-02 ppm1 1.949 ppm2 4.721 CV 1
OR { 596}
(( segid "PAH " and resid 300 and name HA ))
(( segid "PAH " and resid 300 and name HB2 ))
ASSI { 598}
(( segid "PAH " and resid 336 and name HA ))
(( segid "PAH " and resid 336 and name HB1 ))
2.400 0.700 0.700 peak 598 spectrum 1 weight 0.10000E+01 volume 0.50440E-02 ppm1 2.167 ppm2 3.901 CV 1
OR { 598}
(( segid "PAH " and resid 336 and name HA ))
(( segid "PAH " and resid 336 and name HB2 ))
ASSI { 602}
(( segid "PAH " and resid 300 and name HG1 ))
(( segid "PAH " and resid 300 and name HB2 ))
2.100 0.600 0.600 peak 602 spectrum 1 weight 0.10000E+01 volume 0.12393E-01 ppm1 1.946 ppm2 2.316 CV 1
OR { 602}
(( segid "PAH " and resid 300 and name HG1 ))
(( segid "PAH " and resid 300 and name HB1 ))
ASSI { 603}
(( segid "PAH " and resid 331 and name HG12))
(( segid "PAH " and resid 331 and name HG11))
1.800 0.400 0.400 peak 603 spectrum 1 weight 0.10000E+01 volume 0.15139E-01 ppm1 1.767 ppm2 1.077 CV 1
ASSI { 605}
( segid "PAH " and resid 331 and name HD1%)
(( segid "PAH " and resid 331 and name HG11))
2.300 0.700 0.700 peak 605 spectrum 1 weight 0.10000E+01 volume 0.54593E-02 ppm1 1.767 ppm2 0.751 CV 1
ASSI { 606}
( segid "PAH " and resid 331 and name HG2%)
(( segid "PAH " and resid 331 and name HG12))
2.400 0.700 0.700 peak 606 spectrum 1 weight 0.10000E+01 volume 0.45885E-02 ppm1 1.061 ppm2 0.814 CV 1
ASSI { 609}
( segid "SID " and resid 13 and name HD1%)
(( segid "PAH " and resid 336 and name HB1 ))
2.800 1.000 1.000 peak 609 spectrum 1 weight 0.10000E+01 volume 0.21636E-02 ppm1 2.175 ppm2 0.656 CV 1
OR { 609}
( segid "SID " and resid 13 and name HD1%)
(( segid "PAH " and resid 336 and name HB2 ))
ASSI { 610}
(( segid "PAH " and resid 331 and name HA ))
(( segid "PAH " and resid 331 and name HG11))
3.000 1.100 1.100 peak 610 spectrum 1 weight 0.10000E+01 volume 0.19828E-02 ppm1 1.757 ppm2 3.751 CV 1
ASSI { 613}
(( segid "PAH " and resid 297 and name HG1 ))
(( segid "PAH " and resid 297 and name HB2 ))
2.700 0.900 0.900 peak 613 spectrum 1 weight 0.10000E+01 volume 0.26861E-02 ppm1 1.636 ppm2 2.166 CV 1
OR { 613}
(( segid "PAH " and resid 297 and name HG2 ))
(( segid "PAH " and resid 297 and name HB2 ))
ASSI { 614}
(( segid "PAH " and resid 297 and name HG2 ))
(( segid "PAH " and resid 297 and name HB1 ))
2.700 0.900 0.900 peak 614 spectrum 1 weight 0.10000E+01 volume 0.34631E-02 ppm1 1.844 ppm2 2.159 CV 1
OR { 614}
(( segid "PAH " and resid 297 and name HG1 ))
(( segid "PAH " and resid 297 and name HB1 ))
ASSI { 615}
(( segid "PAH " and resid 297 and name HB1 ))
(( segid "PAH " and resid 297 and name HB2 ))
1.800 0.400 0.400 peak 615 spectrum 1 weight 0.10000E+01 volume 0.18019E-01 ppm1 1.636 ppm2 1.860 CV 1
ASSI { 617}
(( segid "PAH " and resid 319 and name HG2 ))
(( segid "PAH " and resid 319 and name HB2 ))
2.100 0.500 0.500 peak 617 spectrum 1 weight 0.10000E+01 volume 0.14469E-01 ppm1 2.109 ppm2 2.458 CV 1
OR { 617}
(( segid "PAH " and resid 319 and name HG1 ))
(( segid "PAH " and resid 319 and name HB2 ))
ASSI { 618}
(( segid "PAH " and resid 319 and name HG1 ))
(( segid "PAH " and resid 319 and name HB1 ))
2.100 0.500 0.500 peak 618 spectrum 1 weight 0.10000E+01 volume 0.14000E-01 ppm1 2.269 ppm2 2.458 CV 1
OR { 618}
(( segid "PAH " and resid 319 and name HG2 ))
(( segid "PAH " and resid 319 and name HB1 ))
ASSI { 620}
(( segid "PAH " and resid 319 and name HB2 ))
(( segid "PAH " and resid 319 and name HB1 ))
1.600 0.300 0.600 peak 620 spectrum 1 weight 0.10000E+01 volume 0.36440E-01 ppm1 2.268 ppm2 2.121 CV 1
ASSI { 621}
(( segid "PAH " and resid 355 and name HB1 ))
(( segid "PAH " and resid 355 and name HB2 ))
1.700 0.400 0.500 peak 621 spectrum 1 weight 0.10000E+01 volume 0.22641E-01 ppm1 2.014 ppm2 2.224 CV 1
ASSI { 622}
(( segid "PAH " and resid 355 and name HG2 ))
(( segid "PAH " and resid 355 and name HB2 ))
2.500 0.800 0.800 peak 622 spectrum 1 weight 0.10000E+01 volume 0.72344E-02 ppm1 2.012 ppm2 2.393 CV 1
ASSI { 623}
(( segid "PAH " and resid 355 and name HG1 ))
(( segid "PAH " and resid 355 and name HB2 ))
2.300 0.700 0.700 peak 623 spectrum 1 weight 0.10000E+01 volume 0.55397E-02 ppm1 2.011 ppm2 2.466 CV 1
ASSI { 625}
(( segid "PAH " and resid 324 and name HG12))
(( segid "PAH " and resid 324 and name HG11))
1.800 0.400 0.400 peak 625 spectrum 1 weight 0.10000E+01 volume 0.16412E-01 ppm1 1.511 ppm2 1.218 CV 1
ASSI { 627}
( segid "SID " and resid 15 and name HB% )
(( segid "PAH " and resid 308 and name HG11))
2.800 1.000 1.000 peak 627 spectrum 1 weight 0.10000E+01 volume 0.27330E-02 ppm1 1.187 ppm2 1.310 CV 1
ASSI { 633}
(( segid "PAH " and resid 297 and name HA ))
(( segid "PAH " and resid 297 and name HB1 ))
3.300 1.400 1.400 peak 633 spectrum 1 weight 0.10000E+01 volume 0.79713E-03 ppm1 1.851 ppm2 3.981 CV 1
ASSI { 637}
(( segid "PAH " and resid 308 and name HG11))
(( segid "PAH " and resid 308 and name HG12))
2.000 0.500 0.500 peak 637 spectrum 1 weight 0.10000E+01 volume 0.93781E-02 ppm1 0.649 ppm2 1.199 CV 1
ASSI { 642}
(( segid "PAH " and resid 314 and name HG12))
(( segid "PAH " and resid 314 and name HG11))
1.900 0.400 0.400 peak 642 spectrum 1 weight 0.10000E+01 volume 0.11253E-01 ppm1 1.122 ppm2 0.338 CV 1
ASSI { 645}
(( segid "PAH " and resid 308 and name HA ))
(( segid "PAH " and resid 308 and name HG12))
2.800 1.000 1.000 peak 645 spectrum 1 weight 0.10000E+01 volume 0.16412E-02 ppm1 0.654 ppm2 3.486 CV 1
ASSI { 651}
( segid "PAH " and resid 380 and name HD2%)
(( segid "PAH " and resid 355 and name HB1 ))
3.400 1.500 1.500 peak 651 spectrum 1 weight 0.10000E+01 volume 0.63100E-03 ppm1 2.209 ppm2 0.771 CV 1
OR { 651}
( segid "PAH " and resid 380 and name HD1%)
(( segid "PAH " and resid 355 and name HB1 ))
ASSI { 652}
(( segid "PAH " and resid 314 and name HA ))
(( segid "PAH " and resid 314 and name HG11))
3.300 1.400 1.400 peak 652 spectrum 1 weight 0.10000E+01 volume 0.10182E-02 ppm1 1.121 ppm2 3.160 CV 1
ASSI { 654}
(( segid "SID " and resid 15 and name HA ))
(( segid "PAH " and resid 308 and name HG12))
3.700 1.700 1.700 peak 654 spectrum 1 weight 0.10000E+01 volume 0.41062E-03 ppm1 0.653 ppm2 4.121 CV 1
ASSI { 655}
(( segid "PAH " and resid 333 and name HA ))
(( segid "PAH " and resid 333 and name HB1 ))
3.000 1.100 1.100 peak 655 spectrum 1 weight 0.10000E+01 volume 0.15742E-02 ppm1 3.322 ppm2 4.279 CV 1
ASSI { 657}
(( segid "PAH " and resid 330 and name HA ))
(( segid "PAH " and resid 333 and name HB2 ))
2.900 1.000 1.000 peak 657 spectrum 1 weight 0.10000E+01 volume 0.15406E-02 ppm1 3.246 ppm2 4.143 CV 1
ASSI { 661}
(( segid "PAH " and resid 333 and name HB1 ))
(( segid "PAH " and resid 333 and name HB2 ))
1.800 0.400 0.400 peak 661 spectrum 1 weight 0.10000E+01 volume 0.21569E-01 ppm1 3.246 ppm2 3.337 CV 1
ASSI { 663}
(( segid "PAH " and resid 306 and name HB1 ))
(( segid "PAH " and resid 306 and name HB2 ))
1.800 0.400 0.400 peak 663 spectrum 1 weight 0.10000E+01 volume 0.23244E-01 ppm1 3.461 ppm2 3.560 CV 1
ASSI { 665}
(( segid "PAH " and resid 328 and name HB1 ))
(( segid "PAH " and resid 328 and name HA ))
3.100 1.200 1.200 peak 665 spectrum 1 weight 0.10000E+01 volume 0.17483E-02 ppm1 3.891 ppm2 3.463 CV 1
ASSI { 666}
(( segid "PAH " and resid 328 and name HB2 ))
(( segid "PAH " and resid 328 and name HA ))
2.600 0.800 0.800 peak 666 spectrum 1 weight 0.10000E+01 volume 0.30077E-02 ppm1 3.888 ppm2 3.015 CV 1
ASSI { 667}
( segid "PAH " and resid 354 and name HG2%)
(( segid "PAH " and resid 354 and name HA ))
2.500 0.800 0.800 peak 667 spectrum 1 weight 0.10000E+01 volume 0.47828E-02 ppm1 4.739 ppm2 1.367 CV 1
ASSI { 670}
(( segid "PAH " and resid 313 and name HB1 ))
(( segid "PAH " and resid 310 and name HA ))
2.500 0.800 0.800 peak 670 spectrum 1 weight 0.10000E+01 volume 0.37512E-02 ppm1 4.442 ppm2 1.977 CV 1
OR { 670}
(( segid "PAH " and resid 313 and name HB2 ))
(( segid "PAH " and resid 310 and name HA ))
ASSI { 676}
(( segid "PAH " and resid 376 and name HB2 ))
(( segid "PAH " and resid 376 and name HA ))
2.800 1.000 1.000 peak 676 spectrum 1 weight 0.10000E+01 volume 0.18153E-02 ppm1 4.360 ppm2 3.363 CV 1
ASSI { 677}
(( segid "PAH " and resid 328 and name HB1 ))
(( segid "PAH " and resid 325 and name HA ))
3.100 1.200 1.200 peak 677 spectrum 1 weight 0.10000E+01 volume 0.10517E-02 ppm1 4.184 ppm2 3.461 CV 1
ASSI { 678}
(( segid "PAH " and resid 325 and name HB1 ))
(( segid "PAH " and resid 325 and name HA ))
2.400 0.700 0.700 peak 678 spectrum 1 weight 0.10000E+01 volume 0.52249E-02 ppm1 4.182 ppm2 3.132 CV 1
OR { 678}
(( segid "PAH " and resid 325 and name HB2 ))
(( segid "PAH " and resid 325 and name HA ))
ASSI { 679}
(( segid "PAH " and resid 310 and name HB2 ))
(( segid "PAH " and resid 310 and name HA ))
2.500 0.800 0.800 peak 679 spectrum 1 weight 0.10000E+01 volume 0.35435E-02 ppm1 4.452 ppm2 2.922 CV 1
ASSI { 683}
(( segid "PAH " and resid 370 and name HG2 ))
(( segid "PAH " and resid 370 and name HA ))
2.700 0.900 0.900 peak 683 spectrum 1 weight 0.10000E+01 volume 0.34163E-02 ppm1 3.993 ppm2 2.442 CV 1
OR { 683}
(( segid "PAH " and resid 370 and name HG1 ))
(( segid "PAH " and resid 370 and name HA ))
ASSI { 687}
( segid "PAH " and resid 324 and name HG2%)
(( segid "PAH " and resid 324 and name HG11))
3.000 1.100 1.100 peak 687 spectrum 1 weight 0.10000E+01 volume 0.20966E-02 ppm1 1.510 ppm2 0.006 CV 1
OR { 687}
(( segid "PAH " and resid 324 and name HN ))
(( segid "PAH " and resid 324 and name HG11))
ASSI { 689}
( segid "PAH " and resid 327 and name HB% )
(( segid "PAH " and resid 328 and name HA ))
3.700 1.700 1.700 peak 689 spectrum 1 weight 0.10000E+01 volume 0.54057E-03 ppm1 3.892 ppm2 1.542 CV 1
ASSI { 690}
(( segid "PAH " and resid 331 and name HB ))
(( segid "PAH " and resid 328 and name HA ))
3.200 1.300 1.300 peak 690 spectrum 1 weight 0.10000E+01 volume 0.91097E-03 ppm1 3.892 ppm2 1.803 CV 1
OR { 690}
(( segid "PAH " and resid 331 and name HG11))
(( segid "PAH " and resid 328 and name HA ))
ASSI { 691}
( segid "PAH " and resid 372 and name HD2%)
(( segid "PAH " and resid 314 and name HG12))
2.600 0.800 0.800 peak 691 spectrum 1 weight 0.10000E+01 volume 0.25789E-02 ppm1 0.328 ppm2 0.234 CV 1
ASSI { 693}
(( segid "PAH " and resid 315 and name HG1 ))
(( segid "PAH " and resid 315 and name HA ))
2.600 0.800 0.800 peak 693 spectrum 1 weight 0.10000E+01 volume 0.38718E-02 ppm1 3.165 ppm2 0.704 CV 1
OR { 693}
(( segid "PAH " and resid 315 and name HG2 ))
(( segid "PAH " and resid 315 and name HA ))
ASSI { 694}
(( segid "PAH " and resid 315 and name HB2 ))
(( segid "PAH " and resid 315 and name HA ))
2.500 0.800 0.800 peak 694 spectrum 1 weight 0.10000E+01 volume 0.37914E-02 ppm1 3.165 ppm2 1.357 CV 1
ASSI { 699}
(( segid "PAH " and resid 378 and name HG1 ))
(( segid "PAH " and resid 378 and name HB1 ))
2.400 0.700 0.700 peak 699 spectrum 1 weight 0.10000E+01 volume 0.47828E-02 ppm1 1.720 ppm2 2.202 CV 1
OR { 699}
(( segid "PAH " and resid 378 and name HG1 ))
(( segid "PAH " and resid 378 and name HB2 ))
ASSI { 700}
(( segid "PAH " and resid 378 and name HG2 ))
(( segid "PAH " and resid 378 and name HB2 ))
2.500 0.800 0.800 peak 700 spectrum 1 weight 0.10000E+01 volume 0.47024E-02 ppm1 1.721 ppm2 2.113 CV 1
OR { 700}
(( segid "PAH " and resid 378 and name HG2 ))
(( segid "PAH " and resid 378 and name HB1 ))
ASSI { 701}
(( segid "PAH " and resid 321 and name HB1 ))
(( segid "PAH " and resid 324 and name HG11))
3.200 1.300 1.300 peak 701 spectrum 1 weight 0.10000E+01 volume 0.11923E-02 ppm1 1.508 ppm2 2.388 CV 1
OR { 701}
(( segid "PAH " and resid 321 and name HG2 ))
(( segid "PAH " and resid 324 and name HG11))
ASSI { 702}
(( segid "PAH " and resid 321 and name HB1 ))
(( segid "PAH " and resid 324 and name HG12))
3.600 1.600 1.600 peak 702 spectrum 1 weight 0.10000E+01 volume 0.38650E-03 ppm1 1.209 ppm2 2.384 CV 1
OR { 702}
(( segid "PAH " and resid 321 and name HG2 ))
(( segid "PAH " and resid 324 and name HG12))
ASSI { 705}
(( segid "PAH " and resid 322 and name HB1 ))
(( segid "PAH " and resid 322 and name HG1 ))
2.300 0.600 0.600 peak 705 spectrum 1 weight 0.10000E+01 volume 0.79713E-02 ppm1 2.110 ppm2 2.462 CV 1
OR { 705}
(( segid "PAH " and resid 322 and name HB1 ))
(( segid "PAH " and resid 322 and name HG2 ))
ASSI { 707}
(( segid "PAH " and resid 364 and name HD1 ))
(( segid "PAH " and resid 364 and name HG1 ))
2.600 0.800 0.800 peak 707 spectrum 1 weight 0.10000E+01 volume 0.38249E-02 ppm1 1.810 ppm2 3.233 CV 1
OR { 707}
(( segid "PAH " and resid 364 and name HD2 ))
(( segid "PAH " and resid 364 and name HG1 ))
ASSI { 710}
(( segid "PAH " and resid 305 and name HA ))
(( segid "PAH " and resid 308 and name HG11))
3.600 1.600 1.600 peak 710 spectrum 1 weight 0.10000E+01 volume 0.50172E-03 ppm1 1.188 ppm2 4.346 CV 1
ASSI { 711}
(( segid "PAH " and resid 324 and name HA ))
(( segid "PAH " and resid 324 and name HG11))
3.500 1.500 1.500 peak 711 spectrum 1 weight 0.10000E+01 volume 0.10517E-02 ppm1 1.509 ppm2 3.717 CV 1
ASSI { 712}
(( segid "PAH " and resid 355 and name HA ))
(( segid "PAH " and resid 355 and name HB1 ))
2.800 1.000 1.000 peak 712 spectrum 1 weight 0.10000E+01 volume 0.18622E-02 ppm1 2.217 ppm2 3.723 CV 1
ASSI { 715}
(( segid "PAH " and resid 316 and name HA ))
(( segid "PAH " and resid 319 and name HB2 ))
3.000 1.100 1.100 peak 715 spectrum 1 weight 0.10000E+01 volume 0.11253E-02 ppm1 2.109 ppm2 4.357 CV 1
ASSI { 716}
(( segid "PAH " and resid 316 and name HA ))
(( segid "PAH " and resid 319 and name HB1 ))
3.700 1.700 1.700 peak 716 spectrum 1 weight 0.10000E+01 volume 0.11790E-02 ppm1 2.265 ppm2 4.362 CV 1
ASSI { 723}
(( segid "PAH " and resid 356 and name HA ))
(( segid "PAH " and resid 356 and name HB2 ))
2.400 0.700 0.700 peak 723 spectrum 1 weight 0.10000E+01 volume 0.64172E-02 ppm1 2.095 ppm2 4.122 CV 1
ASSI { 725}
( segid "SID " and resid 13 and name HD2%)
(( segid "PAH " and resid 333 and name HA ))
3.300 1.400 1.400 peak 725 spectrum 1 weight 0.10000E+01 volume 0.86412E-03 ppm1 4.268 ppm2 0.536 CV 1
ASSI { 726}
( segid "SID " and resid 13 and name HD1%)
(( segid "PAH " and resid 333 and name HA ))
2.800 1.000 1.000 peak 726 spectrum 1 weight 0.10000E+01 volume 0.23043E-02 ppm1 4.268 ppm2 0.654 CV 1
ASSI { 727}
(( segid "PAH " and resid 313 and name HG2 ))
(( segid "PAH " and resid 313 and name HA ))
3.300 1.300 1.300 peak 727 spectrum 1 weight 0.10000E+01 volume 0.12191E-02 ppm1 3.957 ppm2 1.194 CV 1
ASSI { 728}
(( segid "PAH " and resid 326 and name HB1 ))
(( segid "PAH " and resid 326 and name HA ))
2.300 0.700 0.700 peak 728 spectrum 1 weight 0.10000E+01 volume 0.71005E-02 ppm1 3.750 ppm2 1.895 CV 1
OR { 728}
(( segid "PAH " and resid 326 and name HB2 ))
(( segid "PAH " and resid 326 and name HA ))
ASSI { 729}
(( segid "PAH " and resid 315 and name HB1 ))
(( segid "PAH " and resid 315 and name HA ))
3.000 1.100 1.100 peak 729 spectrum 1 weight 0.10000E+01 volume 0.22574E-02 ppm1 3.165 ppm2 1.630 CV 1
ASSI { 730}
(( segid "PAH " and resid 373 and name HB2 ))
(( segid "PAH " and resid 370 and name HA ))
2.400 0.700 0.700 peak 730 spectrum 1 weight 0.10000E+01 volume 0.42402E-02 ppm1 3.977 ppm2 1.734 CV 1
ASSI { 731}
(( segid "PAH " and resid 316 and name HB2 ))
(( segid "PAH " and resid 313 and name HA ))
3.200 1.300 1.300 peak 731 spectrum 1 weight 0.10000E+01 volume 0.14067E-02 ppm1 3.957 ppm2 2.641 CV 1
ASSI { 732}
(( segid "PAH " and resid 316 and name HB1 ))
(( segid "PAH " and resid 313 and name HA ))
2.800 0.900 0.900 peak 732 spectrum 1 weight 0.10000E+01 volume 0.23311E-02 ppm1 3.958 ppm2 2.764 CV 1
ASSI { 733}
(( segid "PAH " and resid 336 and name HB2 ))
(( segid "PAH " and resid 333 and name HA ))
2.600 0.900 0.900 peak 733 spectrum 1 weight 0.10000E+01 volume 0.33024E-02 ppm1 4.267 ppm2 2.179 CV 1
OR { 733}
(( segid "PAH " and resid 336 and name HB1 ))
(( segid "PAH " and resid 333 and name HA ))
ASSI { 734}
(( segid "PAH " and resid 333 and name HB2 ))
(( segid "PAH " and resid 333 and name HA ))
2.800 1.000 1.000 peak 734 spectrum 1 weight 0.10000E+01 volume 0.25187E-02 ppm1 4.263 ppm2 3.261 CV 1
ASSI { 737}
(( segid "PAH " and resid 333 and name HB1 ))
(( segid "PAH " and resid 330 and name HA ))
3.300 1.400 1.400 peak 737 spectrum 1 weight 0.10000E+01 volume 0.22440E-02 ppm1 4.117 ppm2 3.339 CV 1
ASSI { 738}
(( segid "PAH " and resid 356 and name HB1 ))
(( segid "PAH " and resid 356 and name HA ))
2.400 0.700 0.700 peak 738 spectrum 1 weight 0.10000E+01 volume 0.57340E-02 ppm1 4.116 ppm2 2.181 CV 1
ASSI { 740}
(( segid "PAH " and resid 303 and name HB1 ))
(( segid "PAH " and resid 303 and name HA ))
2.400 0.700 0.700 peak 740 spectrum 1 weight 0.10000E+01 volume 0.65445E-02 ppm1 4.203 ppm2 2.102 CV 1
OR { 740}
(( segid "PAH " and resid 303 and name HB2 ))
(( segid "PAH " and resid 303 and name HA ))
ASSI { 741}
(( segid "PAH " and resid 303 and name HG2 ))
(( segid "PAH " and resid 303 and name HA ))
2.400 0.700 0.700 peak 741 spectrum 1 weight 0.10000E+01 volume 0.61895E-02 ppm1 4.200 ppm2 2.327 CV 1
ASSI { 744}
( segid "PAH " and resid 329 and name HD1%)
(( segid "PAH " and resid 326 and name HA ))
2.800 1.000 1.000 peak 744 spectrum 1 weight 0.10000E+01 volume 0.22373E-02 ppm1 3.749 ppm2 0.645 CV 1
ASSI { 745}
(( segid "PAH " and resid 326 and name HG2 ))
(( segid "PAH " and resid 326 and name HA ))
3.100 1.200 1.200 peak 745 spectrum 1 weight 0.10000E+01 volume 0.14067E-02 ppm1 3.743 ppm2 1.459 CV 1
ASSI { 746}
(( segid "PAH " and resid 326 and name HG1 ))
(( segid "PAH " and resid 326 and name HA ))
2.900 1.100 1.100 peak 746 spectrum 1 weight 0.10000E+01 volume 0.19694E-02 ppm1 3.746 ppm2 1.671 CV 1
OR { 746}
(( segid "PAH " and resid 326 and name HD1 ))
(( segid "PAH " and resid 326 and name HA ))
OR { 746}
(( segid "PAH " and resid 326 and name HD2 ))
(( segid "PAH " and resid 326 and name HA ))
ASSI { 748}
(( segid "PAH " and resid 361 and name HG2 ))
(( segid "PAH " and resid 361 and name HA ))
2.400 0.700 0.700 peak 748 spectrum 1 weight 0.10000E+01 volume 0.45751E-02 ppm1 3.963 ppm2 2.361 CV 1
ASSI { 749}
(( segid "PAH " and resid 319 and name HG2 ))
(( segid "PAH " and resid 319 and name HA ))
2.700 0.900 0.900 peak 749 spectrum 1 weight 0.10000E+01 volume 0.33962E-02 ppm1 4.068 ppm2 2.459 CV 1
OR { 749}
(( segid "PAH " and resid 319 and name HG1 ))
(( segid "PAH " and resid 319 and name HA ))
ASSI { 751}
(( segid "PAH " and resid 319 and name HB1 ))
(( segid "PAH " and resid 319 and name HA ))
2.600 0.800 0.800 peak 751 spectrum 1 weight 0.10000E+01 volume 0.57340E-02 ppm1 4.069 ppm2 2.283 CV 1
ASSI { 752}
(( segid "PAH " and resid 330 and name HG2 ))
(( segid "PAH " and resid 330 and name HA ))
2.700 0.900 0.900 peak 752 spectrum 1 weight 0.10000E+01 volume 0.29943E-02 ppm1 4.124 ppm2 2.294 CV 1
OR { 752}
(( segid "PAH " and resid 330 and name HG1 ))
(( segid "PAH " and resid 330 and name HA ))
ASSI { 753}
(( segid "PAH " and resid 364 and name HA ))
(( segid "PAH " and resid 364 and name HG1 ))
3.100 1.200 1.200 peak 753 spectrum 1 weight 0.10000E+01 volume 0.15206E-02 ppm1 1.807 ppm2 4.060 CV 1
ASSI { 758}
(( segid "PAH " and resid 351 and name HD1 ))
(( segid "PAH " and resid 351 and name HG2 ))
2.600 0.800 0.800 peak 758 spectrum 1 weight 0.10000E+01 volume 0.35770E-02 ppm1 1.971 ppm2 3.765 CV 1
OR { 758}
(( segid "PAH " and resid 351 and name HD2 ))
(( segid "PAH " and resid 351 and name HG2 ))
ASSI { 764}
(( segid "PAH " and resid 317 and name HB1 ))
(( segid "PAH " and resid 317 and name HB2 ))
2.000 0.500 0.500 peak 764 spectrum 1 weight 0.10000E+01 volume 0.10717E-01 ppm1 1.170 ppm2 1.664 CV 1
ASSI { 766}
(( segid "PAH " and resid 364 and name HG2 ))
(( segid "PAH " and resid 364 and name HG1 ))
1.800 0.400 0.400 peak 766 spectrum 1 weight 0.10000E+01 volume 0.18354E-01 ppm1 1.812 ppm2 1.591 CV 1
ASSI { 767}
(( segid "PAH " and resid 337 and name HB2 ))
(( segid "PAH " and resid 337 and name HA ))
1.900 0.500 0.500 peak 767 spectrum 1 weight 0.10000E+01 volume 0.18086E-01 ppm1 3.970 ppm2 1.960 CV 1
ASSI { 768}
(( segid "PAH " and resid 329 and name HB1 ))
(( segid "PAH " and resid 326 and name HA ))
3.800 1.800 1.800 peak 768 spectrum 1 weight 0.10000E+01 volume 0.12191E-02 ppm1 3.746 ppm2 1.798 CV 1
ASSI { 769}
(( segid "PAH " and resid 329 and name HG ))
(( segid "PAH " and resid 326 and name HA ))
3.300 1.300 1.300 peak 769 spectrum 1 weight 0.10000E+01 volume 0.10383E-02 ppm1 3.743 ppm2 1.365 CV 1
ASSI { 770}
(( segid "PAH " and resid 337 and name HG2 ))
(( segid "PAH " and resid 337 and name HA ))
3.100 1.200 1.200 peak 770 spectrum 1 weight 0.10000E+01 volume 0.15206E-02 ppm1 3.971 ppm2 1.449 CV 1
ASSI { 771}
(( segid "PAH " and resid 337 and name HG1 ))
(( segid "PAH " and resid 337 and name HA ))
2.500 0.800 0.800 peak 771 spectrum 1 weight 0.10000E+01 volume 0.40326E-02 ppm1 3.967 ppm2 1.575 CV 1
ASSI { 772}
(( segid "PAH " and resid 337 and name HD2 ))
(( segid "PAH " and resid 337 and name HA ))
3.400 1.400 1.400 peak 772 spectrum 1 weight 0.10000E+01 volume 0.16546E-02 ppm1 3.969 ppm2 1.726 CV 1
OR { 772}
(( segid "PAH " and resid 337 and name HD1 ))
(( segid "PAH " and resid 337 and name HA ))
ASSI { 774}
(( segid "PAH " and resid 361 and name HB2 ))
(( segid "PAH " and resid 361 and name HA ))
2.300 0.700 0.700 peak 774 spectrum 1 weight 0.10000E+01 volume 0.72344E-02 ppm1 3.961 ppm2 2.073 CV 1
OR { 774}
(( segid "PAH " and resid 361 and name HB1 ))
(( segid "PAH " and resid 361 and name HA ))
ASSI { 775}
(( segid "PAH " and resid 303 and name HG1 ))
(( segid "PAH " and resid 303 and name HA ))
2.700 0.900 0.900 peak 775 spectrum 1 weight 0.10000E+01 volume 0.30010E-02 ppm1 4.200 ppm2 2.434 CV 1
ASSI { 776}
(( segid "PAH " and resid 357 and name HB1 ))
(( segid "PAH " and resid 357 and name HA ))
2.200 0.600 0.600 peak 776 spectrum 1 weight 0.10000E+01 volume 0.10115E-01 ppm1 4.248 ppm2 2.360 CV 1
OR { 776}
(( segid "PAH " and resid 357 and name HG1 ))
(( segid "PAH " and resid 357 and name HA ))
OR { 776}
(( segid "PAH " and resid 357 and name HG2 ))
(( segid "PAH " and resid 357 and name HA ))
ASSI { 777}
(( segid "PAH " and resid 357 and name HB2 ))
(( segid "PAH " and resid 357 and name HA ))
2.400 0.700 0.700 peak 777 spectrum 1 weight 0.10000E+01 volume 0.60153E-02 ppm1 4.253 ppm2 2.111 CV 1
ASSI { 778}
(( segid "PAH " and resid 317 and name HG2 ))
(( segid "PAH " and resid 317 and name HB1 ))
3.200 1.300 1.300 peak 778 spectrum 1 weight 0.10000E+01 volume 0.11990E-02 ppm1 1.653 ppm2 0.534 CV 1
ASSI { 780}
(( segid "PAH " and resid 317 and name HG1 ))
(( segid "PAH " and resid 317 and name HB2 ))
3.100 1.200 1.200 peak 780 spectrum 1 weight 0.10000E+01 volume 0.15206E-02 ppm1 1.168 ppm2 0.982 CV 1
ASSI { 783}
(( segid "PAH " and resid 340 and name HG1 ))
(( segid "PAH " and resid 340 and name HG2 ))
1.600 0.300 0.600 peak 783 spectrum 1 weight 0.10000E+01 volume 0.35301E-01 ppm1 1.591 ppm2 1.747 CV 1
ASSI { 787}
(( segid "PAH " and resid 353 and name HA ))
(( segid "PAH " and resid 353 and name HG ))
3.200 1.300 1.300 peak 787 spectrum 1 weight 0.10000E+01 volume 0.95120E-03 ppm1 1.675 ppm2 4.718 CV 1
ASSI { 788}
(( segid "PAH " and resid 340 and name HA ))
(( segid "PAH " and resid 340 and name HG1 ))
2.800 1.000 1.000 peak 788 spectrum 1 weight 0.10000E+01 volume 0.21369E-02 ppm1 1.735 ppm2 4.059 CV 1
ASSI { 792}
( segid "PAH " and resid 373 and name HD1%)
(( segid "PAH " and resid 373 and name HG ))
2.700 0.900 0.900 peak 792 spectrum 1 weight 0.10000E+01 volume 0.23713E-02 ppm1 1.875 ppm2 0.958 CV 1
ASSI { 793}
( segid "PAH " and resid 373 and name HD2%)
(( segid "PAH " and resid 373 and name HG ))
2.500 0.800 0.800 peak 793 spectrum 1 weight 0.10000E+01 volume 0.38852E-02 ppm1 1.881 ppm2 0.821 CV 1
ASSI { 794}
(( segid "PAH " and resid 296 and name HA ))
(( segid "PAH " and resid 296 and name HG ))
3.700 1.700 1.700 peak 794 spectrum 1 weight 0.10000E+01 volume 0.47961E-03 ppm1 1.684 ppm2 4.338 CV 1
ASSI { 795}
(( segid "PAH " and resid 351 and name HD1 ))
(( segid "PAH " and resid 350 and name HA ))
2.200 0.600 0.600 peak 795 spectrum 1 weight 0.10000E+01 volume 0.89089E-02 ppm1 4.547 ppm2 3.735 CV 1
OR { 795}
(( segid "PAH " and resid 351 and name HD2 ))
(( segid "PAH " and resid 350 and name HA ))
ASSI { 796}
(( segid "PAH " and resid 351 and name HD1 ))
(( segid "PAH " and resid 350 and name HA ))
2.100 0.600 0.600 peak 796 spectrum 1 weight 0.10000E+01 volume 0.10517E-01 ppm1 4.547 ppm2 3.788 CV 1
ASSI { 797}
(( segid "PAH " and resid 350 and name HB ))
(( segid "PAH " and resid 350 and name HA ))
2.700 0.900 0.900 peak 797 spectrum 1 weight 0.10000E+01 volume 0.23847E-02 ppm1 4.547 ppm2 3.877 CV 1
ASSI { 800}
(( segid "PAH " and resid 367 and name HG2 ))
(( segid "PAH " and resid 367 and name HA ))
2.500 0.800 0.800 peak 800 spectrum 1 weight 0.10000E+01 volume 0.49770E-02 ppm1 4.045 ppm2 1.510 CV 1
OR { 800}
(( segid "PAH " and resid 367 and name HG1 ))
(( segid "PAH " and resid 367 and name HA ))
ASSI { 808}
(( segid "PAH " and resid 339 and name HB1 ))
(( segid "PAH " and resid 339 and name HA ))
2.300 0.700 0.700 peak 808 spectrum 1 weight 0.10000E+01 volume 0.72344E-02 ppm1 3.891 ppm2 2.018 CV 1
ASSI { 809}
(( segid "PAH " and resid 336 and name HG2 ))
(( segid "PAH " and resid 336 and name HA ))
3.000 1.100 1.100 peak 809 spectrum 1 weight 0.10000E+01 volume 0.16412E-02 ppm1 3.889 ppm2 2.341 CV 1
ASSI { 810}
(( segid "PAH " and resid 336 and name HG1 ))
(( segid "PAH " and resid 336 and name HA ))
3.000 1.100 1.100 peak 810 spectrum 1 weight 0.10000E+01 volume 0.17550E-02 ppm1 3.889 ppm2 2.440 CV 1
ASSI { 813}
(( segid "PAH " and resid 361 and name HG1 ))
(( segid "PAH " and resid 361 and name HA ))
3.000 1.100 1.100 peak 813 spectrum 1 weight 0.10000E+01 volume 0.23512E-02 ppm1 3.960 ppm2 2.705 CV 1
ASSI { 814}
(( segid "PAH " and resid 338 and name HB2 ))
(( segid "PAH " and resid 338 and name HA ))
2.400 0.700 0.700 peak 814 spectrum 1 weight 0.10000E+01 volume 0.57139E-02 ppm1 4.168 ppm2 2.248 CV 1
OR { 814}
(( segid "PAH " and resid 338 and name HB1 ))
(( segid "PAH " and resid 338 and name HA ))
ASSI { 816}
(( segid "PAH " and resid 338 and name HG1 ))
(( segid "PAH " and resid 338 and name HA ))
3.000 1.100 1.100 peak 816 spectrum 1 weight 0.10000E+01 volume 0.21703E-02 ppm1 4.165 ppm2 2.520 CV 1
ASSI { 817}
(( segid "PAH " and resid 375 and name HG1 ))
(( segid "PAH " and resid 375 and name HA ))
2.700 0.900 0.900 peak 817 spectrum 1 weight 0.10000E+01 volume 0.33359E-02 ppm1 4.115 ppm2 2.388 CV 1
ASSI { 818}
(( segid "PAH " and resid 367 and name HB1 ))
(( segid "PAH " and resid 367 and name HA ))
2.300 0.600 0.600 peak 818 spectrum 1 weight 0.10000E+01 volume 0.10717E-01 ppm1 4.049 ppm2 2.042 CV 1
ASSI { 824}
( segid "PAH " and resid 363 and name HB% )
(( segid "PAH " and resid 364 and name HA ))
3.600 1.600 1.600 peak 824 spectrum 1 weight 0.10000E+01 volume 0.65110E-03 ppm1 4.050 ppm2 1.250 CV 1
ASSI { 826}
(( segid "PAH " and resid 339 and name HB2 ))
(( segid "PAH " and resid 339 and name HA ))
2.300 0.600 0.600 peak 826 spectrum 1 weight 0.10000E+01 volume 0.93112E-02 ppm1 3.892 ppm2 1.937 CV 1
OR { 826}
(( segid "PAH " and resid 339 and name HG2 ))
(( segid "PAH " and resid 339 and name HA ))
OR { 826}
(( segid "PAH " and resid 339 and name HG1 ))
(( segid "PAH " and resid 339 and name HA ))
ASSI { 828}
(( segid "PAH " and resid 306 and name HB1 ))
(( segid "PAH " and resid 306 and name HA ))
3.000 1.200 1.200 peak 828 spectrum 1 weight 0.10000E+01 volume 0.15608E-02 ppm1 4.638 ppm2 3.564 CV 1
ASSI { 829}
(( segid "PAH " and resid 306 and name HB2 ))
(( segid "PAH " and resid 306 and name HA ))
2.700 0.900 0.900 peak 829 spectrum 1 weight 0.10000E+01 volume 0.28201E-02 ppm1 4.639 ppm2 3.478 CV 1
ASSI { 830}
(( segid "PAH " and resid 376 and name HB2 ))
(( segid "PAH " and resid 373 and name HA ))
3.200 1.300 1.300 peak 830 spectrum 1 weight 0.10000E+01 volume 0.16613E-02 ppm1 4.416 ppm2 3.361 CV 1
ASSI { 831}
(( segid "PAH " and resid 335 and name HB1 ))
(( segid "PAH " and resid 332 and name HA ))
2.900 1.100 1.100 peak 831 spectrum 1 weight 0.10000E+01 volume 0.12526E-02 ppm1 3.845 ppm2 3.254 CV 1
ASSI { 833}
(( segid "PAH " and resid 349 and name HB1 ))
(( segid "PAH " and resid 349 and name HA ))
2.700 0.900 0.900 peak 833 spectrum 1 weight 0.10000E+01 volume 0.43942E-02 ppm1 4.522 ppm2 2.975 CV 1
ASSI { 835}
(( segid "PAH " and resid 309 and name HB1 ))
(( segid "PAH " and resid 306 and name HA ))
3.300 1.400 1.400 peak 835 spectrum 1 weight 0.10000E+01 volume 0.91774E-03 ppm1 4.643 ppm2 3.031 CV 1
ASSI { 838}
(( segid "PAH " and resid 373 and name HB1 ))
(( segid "PAH " and resid 373 and name HA ))
2.900 1.000 1.000 peak 838 spectrum 1 weight 0.10000E+01 volume 0.18823E-02 ppm1 4.419 ppm2 2.164 CV 1
ASSI { 839}
(( segid "PAH " and resid 373 and name HG ))
(( segid "PAH " and resid 373 and name HA ))
3.100 1.200 1.200 peak 839 spectrum 1 weight 0.10000E+01 volume 0.12191E-02 ppm1 4.418 ppm2 1.893 CV 1
ASSI { 840}
(( segid "PAH " and resid 373 and name HB2 ))
(( segid "PAH " and resid 373 and name HA ))
2.700 0.900 0.900 peak 840 spectrum 1 weight 0.10000E+01 volume 0.27665E-02 ppm1 4.419 ppm2 1.739 CV 1
ASSI { 841}
(( segid "PAH " and resid 344 and name HG1 ))
(( segid "PAH " and resid 344 and name HA ))
3.000 1.200 1.200 peak 841 spectrum 1 weight 0.10000E+01 volume 0.15005E-02 ppm1 4.158 ppm2 2.393 CV 1
ASSI { 843}
(( segid "PAH " and resid 344 and name HB1 ))
(( segid "PAH " and resid 344 and name HA ))
2.600 0.800 0.800 peak 843 spectrum 1 weight 0.10000E+01 volume 0.47158E-02 ppm1 4.156 ppm2 2.088 CV 1
ASSI { 844}
(( segid "PAH " and resid 344 and name HB2 ))
(( segid "PAH " and resid 344 and name HA ))
2.400 0.700 0.700 peak 844 spectrum 1 weight 0.10000E+01 volume 0.53722E-02 ppm1 4.159 ppm2 1.987 CV 1
ASSI { 845}
(( segid "PAH " and resid 379 and name HB2 ))
(( segid "PAH " and resid 379 and name HA ))
3.100 1.200 1.200 peak 845 spectrum 1 weight 0.10000E+01 volume 0.16947E-02 ppm1 4.125 ppm2 2.585 CV 1
ASSI { 847}
(( segid "PAH " and resid 343 and name HG1 ))
(( segid "PAH " and resid 343 and name HA ))
3.100 1.200 1.200 peak 847 spectrum 1 weight 0.10000E+01 volume 0.11923E-02 ppm1 4.124 ppm2 1.548 CV 1
ASSI { 850}
( segid "PAH " and resid 342 and name HB% )
(( segid "PAH " and resid 339 and name HA ))
2.700 0.900 0.900 peak 850 spectrum 1 weight 0.10000E+01 volume 0.26593E-02 ppm1 3.894 ppm2 1.476 CV 1
ASSI { 852}
(( segid "PAH " and resid 332 and name HB2 ))
(( segid "PAH " and resid 332 and name HA ))
3.000 1.100 1.100 peak 852 spectrum 1 weight 0.10000E+01 volume 0.21168E-02 ppm1 3.845 ppm2 1.175 CV 1
ASSI { 855}
( segid "PAH " and resid 373 and name HD2%)
(( segid "PAH " and resid 373 and name HA ))
2.500 0.800 0.800 peak 855 spectrum 1 weight 0.10000E+01 volume 0.41062E-02 ppm1 4.418 ppm2 0.820 CV 1
ASSI { 856}
( segid "PAH " and resid 373 and name HD1%)
(( segid "PAH " and resid 373 and name HA ))
2.900 1.000 1.000 peak 856 spectrum 1 weight 0.10000E+01 volume 0.21703E-02 ppm1 4.414 ppm2 0.955 CV 1
ASSI { 858}
( segid "PAH " and resid 308 and name HG2%)
(( segid "PAH " and resid 309 and name HA ))
3.200 1.300 1.300 peak 858 spectrum 1 weight 0.10000E+01 volume 0.10048E-02 ppm1 4.433 ppm2 0.909 CV 1
ASSI { 859}
( segid "PAH " and resid 362 and name HG2%)
(( segid "PAH " and resid 373 and name HA ))
3.700 1.700 1.700 peak 859 spectrum 1 weight 0.10000E+01 volume 0.66985E-03 ppm1 4.413 ppm2 -0.309 CV 1
ASSI { 860}
(( segid "PAH " and resid 332 and name HG ))
(( segid "PAH " and resid 332 and name HA ))
3.200 1.300 1.300 peak 860 spectrum 1 weight 0.10000E+01 volume 0.97797E-03 ppm1 3.853 ppm2 1.412 CV 1
ASSI { 864}
(( segid "PAH " and resid 329 and name HG ))
(( segid "PAH " and resid 329 and name HA ))
3.100 1.200 1.200 peak 864 spectrum 1 weight 0.10000E+01 volume 0.15608E-02 ppm1 3.445 ppm2 1.378 CV 1
ASSI { 866}
( segid "PAH " and resid 329 and name HD2%)
(( segid "PAH " and resid 329 and name HA ))
2.300 0.600 0.600 peak 866 spectrum 1 weight 0.10000E+01 volume 0.75690E-02 ppm1 3.442 ppm2 0.620 CV 1
ASSI { 868}
( segid "PAH " and resid 332 and name HD2%)
(( segid "PAH " and resid 329 and name HA ))
3.400 1.400 1.400 peak 868 spectrum 1 weight 0.10000E+01 volume 0.52851E-03 ppm1 3.451 ppm2 0.405 CV 1
ASSI { 869}
(( segid "PAH " and resid 295 and name HB2 ))
(( segid "PAH " and resid 295 and name HA ))
2.200 0.600 0.600 peak 869 spectrum 1 weight 0.10000E+01 volume 0.95789E-02 ppm1 4.195 ppm2 4.020 CV 1
ASSI { 877}
( segid "PAH " and resid 372 and name HD2%)
(( segid "PAH " and resid 372 and name HG ))
2.000 0.500 0.500 peak 877 spectrum 1 weight 0.10000E+01 volume 0.14067E-01 ppm1 1.573 ppm2 0.231 CV 1
ASSI { 880}
( segid "PAH " and resid 365 and name HD2%)
(( segid "PAH " and resid 365 and name HG ))
2.600 0.900 0.900 peak 880 spectrum 1 weight 0.10000E+01 volume 0.28268E-02 ppm1 1.636 ppm2 0.777 CV 1
OR { 880}
( segid "PAH " and resid 365 and name HD1%)
(( segid "PAH " and resid 365 and name HG ))
ASSI { 881}
( segid "PAH " and resid 380 and name HD1%)
(( segid "PAH " and resid 380 and name HG ))
2.800 1.000 1.000 peak 881 spectrum 1 weight 0.10000E+01 volume 0.20498E-02 ppm1 1.373 ppm2 0.797 CV 1
OR { 881}
( segid "PAH " and resid 380 and name HD2%)
(( segid "PAH " and resid 380 and name HG ))
ASSI { 882}
( segid "PAH " and resid 329 and name HD1%)
(( segid "PAH " and resid 329 and name HG ))
2.100 0.600 0.600 peak 882 spectrum 1 weight 0.10000E+01 volume 0.95789E-02 ppm1 1.352 ppm2 0.638 CV 1
OR { 882}
( segid "PAH " and resid 329 and name HD2%)
(( segid "PAH " and resid 329 and name HG ))
ASSI { 884}
(( segid "PAH " and resid 372 and name HB2 ))
(( segid "PAH " and resid 372 and name HG ))
3.200 1.300 1.300 peak 884 spectrum 1 weight 0.10000E+01 volume 0.13196E-02 ppm1 1.568 ppm2 0.980 CV 1
ASSI { 888}
(( segid "PAH " and resid 372 and name HB2 ))
( segid "PAH " and resid 372 and name HD2%)
2.700 0.900 0.900 peak 888 spectrum 1 weight 0.10000E+01 volume 0.24315E-02 ppm1 0.212 ppm2 0.996 CV 1
ASSI { 889}
(( segid "PAH " and resid 314 and name HG11))
( segid "PAH " and resid 372 and name HD2%)
3.600 1.600 1.600 peak 889 spectrum 1 weight 0.10000E+01 volume 0.13531E-02 ppm1 0.211 ppm2 1.163 CV 1
ASSI { 895}
(( segid "PAH " and resid 372 and name HA ))
( segid "PAH " and resid 372 and name HD2%)
3.700 1.700 1.700 peak 895 spectrum 1 weight 0.10000E+01 volume 0.82390E-03 ppm1 0.215 ppm2 4.389 CV 1
ASSI { 896}
(( segid "PAH " and resid 369 and name HB2 ))
( segid "PAH " and resid 372 and name HD2%)
3.000 1.100 1.100 peak 896 spectrum 1 weight 0.10000E+01 volume 0.15943E-02 ppm1 0.212 ppm2 1.808 CV 1
ASSI { 899}
(( segid "PAH " and resid 380 and name HA ))
( segid "PAH " and resid 380 and name HD1%)
3.400 1.400 1.400 peak 899 spectrum 1 weight 0.10000E+01 volume 0.10115E-02 ppm1 0.791 ppm2 4.628 CV 1
ASSI { 900}
(( segid "PAH " and resid 334 and name HB ))
( segid "PAH " and resid 353 and name HD2%)
3.100 1.200 1.200 peak 900 spectrum 1 weight 0.10000E+01 volume 0.13196E-02 ppm1 0.920 ppm2 4.403 CV 1
OR { 900}
(( segid "PAH " and resid 334 and name HB ))
( segid "PAH " and resid 353 and name HD1%)
ASSI { 901}
(( segid "PAH " and resid 335 and name HA ))
( segid "PAH " and resid 353 and name HD1%)
3.100 1.200 1.200 peak 901 spectrum 1 weight 0.10000E+01 volume 0.15273E-02 ppm1 0.919 ppm2 4.091 CV 1
OR { 901}
(( segid "PAH " and resid 335 and name HA ))
( segid "PAH " and resid 353 and name HD2%)
ASSI { 902}
(( segid "PAH " and resid 377 and name HA2 ))
( segid "PAH " and resid 380 and name HD1%)
3.500 1.600 1.600 peak 902 spectrum 1 weight 0.10000E+01 volume 0.52584E-03 ppm1 0.795 ppm2 3.753 CV 1
ASSI { 903}
(( segid "PAH " and resid 359 and name HB2 ))
( segid "PAH " and resid 380 and name HD1%)
3.500 1.600 1.600 peak 903 spectrum 1 weight 0.10000E+01 volume 0.47158E-03 ppm1 0.790 ppm2 3.059 CV 1
ASSI { 904}
(( segid "PAH " and resid 335 and name HB2 ))
( segid "PAH " and resid 353 and name HD1%)
3.500 1.500 1.500 peak 904 spectrum 1 weight 0.10000E+01 volume 0.60890E-03 ppm1 0.919 ppm2 3.009 CV 1
OR { 904}
(( segid "PAH " and resid 335 and name HB2 ))
( segid "PAH " and resid 353 and name HD2%)
ASSI { 906}
(( segid "PAH " and resid 332 and name HA ))
( segid "PAH " and resid 332 and name HD2%)
3.000 1.100 1.100 peak 906 spectrum 1 weight 0.10000E+01 volume 0.15473E-02 ppm1 0.384 ppm2 3.859 CV 1
ASSI { 910}
(( segid "PAH " and resid 332 and name HB1 ))
( segid "PAH " and resid 332 and name HD2%)
2.700 0.900 0.900 peak 910 spectrum 1 weight 0.10000E+01 volume 0.21837E-02 ppm1 0.384 ppm2 1.731 CV 1
ASSI { 911}
(( segid "PAH " and resid 332 and name HG ))
( segid "PAH " and resid 332 and name HD2%)
2.100 0.500 0.500 peak 911 spectrum 1 weight 0.10000E+01 volume 0.11790E-01 ppm1 0.384 ppm2 1.405 CV 1
ASSI { 912}
(( segid "PAH " and resid 329 and name HB1 ))
( segid "PAH " and resid 329 and name HD1%)
2.700 0.900 0.900 peak 912 spectrum 1 weight 0.10000E+01 volume 0.26928E-02 ppm1 0.629 ppm2 1.778 CV 1
ASSI { 913}
( segid "SID " and resid 16 and name HB% )
( segid "PAH " and resid 329 and name HD1%)
2.800 1.000 1.000 peak 913 spectrum 1 weight 0.10000E+01 volume 0.25655E-02 ppm1 0.631 ppm2 1.652 CV 1
ASSI { 914}
(( segid "PAH " and resid 329 and name HG ))
( segid "PAH " and resid 329 and name HD1%)
2.300 0.700 0.700 peak 914 spectrum 1 weight 0.10000E+01 volume 0.66985E-02 ppm1 0.630 ppm2 1.360 CV 1
ASSI { 915}
(( segid "PAH " and resid 365 and name HG ))
( segid "PAH " and resid 365 and name HD1%)
2.900 1.000 1.000 peak 915 spectrum 1 weight 0.10000E+01 volume 0.17081E-02 ppm1 0.791 ppm2 1.657 CV 1
ASSI { 916}
(( segid "PAH " and resid 380 and name HB1 ))
( segid "PAH " and resid 380 and name HD1%)
2.900 1.000 1.000 peak 916 spectrum 1 weight 0.10000E+01 volume 0.25588E-02 ppm1 0.787 ppm2 1.526 CV 1
ASSI { 917}
(( segid "PAH " and resid 380 and name HG ))
( segid "PAH " and resid 380 and name HD1%)
2.400 0.700 0.700 peak 917 spectrum 1 weight 0.10000E+01 volume 0.47627E-02 ppm1 0.790 ppm2 1.364 CV 1
OR { 917}
(( segid "PAH " and resid 380 and name HB2 ))
( segid "PAH " and resid 380 and name HD1%)
ASSI { 919}
( segid "PAH " and resid 334 and name HG2%)
( segid "PAH " and resid 353 and name HD2%)
2.600 0.800 0.800 peak 919 spectrum 1 weight 0.10000E+01 volume 0.39053E-02 ppm1 0.923 ppm2 1.311 CV 1
OR { 919}
( segid "PAH " and resid 334 and name HG2%)
( segid "PAH " and resid 353 and name HD1%)
ASSI { 920}
(( segid "PAH " and resid 353 and name HG ))
( segid "PAH " and resid 353 and name HD2%)
2.900 1.100 1.100 peak 920 spectrum 1 weight 0.10000E+01 volume 0.17818E-02 ppm1 0.946 ppm2 1.696 CV 1
OR { 920}
(( segid "PAH " and resid 353 and name HG ))
( segid "PAH " and resid 353 and name HD1%)
OR { 920}
(( segid "PAH " and resid 353 and name HB1 ))
( segid "PAH " and resid 353 and name HD2%)
ASSI { 921}
(( segid "PAH " and resid 313 and name HB1 ))
(( segid "PAH " and resid 313 and name HG2 ))
2.600 0.900 0.900 peak 921 spectrum 1 weight 0.10000E+01 volume 0.30814E-02 ppm1 1.181 ppm2 1.958 CV 1
OR { 921}
(( segid "PAH " and resid 313 and name HB2 ))
(( segid "PAH " and resid 313 and name HG2 ))
ASSI { 922}
(( segid "PAH " and resid 313 and name HD2 ))
(( segid "PAH " and resid 313 and name HG2 ))
2.200 0.600 0.600 peak 922 spectrum 1 weight 0.10000E+01 volume 0.85074E-02 ppm1 1.181 ppm2 1.687 CV 1
OR { 922}
(( segid "PAH " and resid 313 and name HD1 ))
(( segid "PAH " and resid 313 and name HG2 ))
ASSI { 923}
(( segid "PAH " and resid 313 and name HG1 ))
(( segid "PAH " and resid 313 and name HG2 ))
1.800 0.400 0.400 peak 923 spectrum 1 weight 0.10000E+01 volume 0.17416E-01 ppm1 1.181 ppm2 1.601 CV 1
ASSI { 924}
(( segid "PAH " and resid 326 and name HB1 ))
(( segid "PAH " and resid 326 and name HG2 ))
2.200 0.600 0.600 peak 924 spectrum 1 weight 0.10000E+01 volume 0.92443E-02 ppm1 1.447 ppm2 1.897 CV 1
OR { 924}
(( segid "PAH " and resid 326 and name HB2 ))
(( segid "PAH " and resid 326 and name HG2 ))
ASSI { 926}
(( segid "PAH " and resid 326 and name HG1 ))
(( segid "PAH " and resid 326 and name HG2 ))
1.700 0.300 0.500 peak 926 spectrum 1 weight 0.10000E+01 volume 0.28469E-01 ppm1 1.447 ppm2 1.651 CV 1
ASSI { 931}
(( segid "PAH " and resid 329 and name HB2 ))
( segid "PAH " and resid 329 and name HD1%)
2.600 0.900 0.900 peak 931 spectrum 1 weight 0.10000E+01 volume 0.30947E-02 ppm1 0.631 ppm2 1.121 CV 1
ASSI { 935}
( segid "SID " and resid 9 and name HG2%)
( segid "PAH " and resid 332 and name HD2%)
3.600 1.600 1.600 peak 935 spectrum 1 weight 0.10000E+01 volume 0.42268E-03 ppm1 0.384 ppm2 1.009 CV 1
ASSI { 944}
( segid "PAH " and resid 365 and name HD2%)
(( segid "PAH " and resid 365 and name HA ))
2.300 0.700 0.700 peak 944 spectrum 1 weight 0.10000E+01 volume 0.74352E-02 ppm1 4.029 ppm2 0.794 CV 1
ASSI { 945}
(( segid "PAH " and resid 365 and name HB2 ))
(( segid "PAH " and resid 365 and name HA ))
2.700 0.900 0.900 peak 945 spectrum 1 weight 0.10000E+01 volume 0.40191E-02 ppm1 4.029 ppm2 1.311 CV 1
ASSI { 946}
(( segid "PAH " and resid 365 and name HB1 ))
(( segid "PAH " and resid 365 and name HA ))
2.600 0.900 0.900 peak 946 spectrum 1 weight 0.10000E+01 volume 0.28536E-02 ppm1 4.029 ppm2 1.531 CV 1
ASSI { 948}
(( segid "PAH " and resid 365 and name HG ))
(( segid "PAH " and resid 365 and name HA ))
2.800 1.000 1.000 peak 948 spectrum 1 weight 0.10000E+01 volume 0.26459E-02 ppm1 4.023 ppm2 1.661 CV 1
ASSI { 949}
(( segid "PAH " and resid 378 and name HB1 ))
(( segid "PAH " and resid 378 and name HA ))
2.300 0.700 0.700 peak 949 spectrum 1 weight 0.10000E+01 volume 0.77705E-02 ppm1 3.985 ppm2 1.730 CV 1
OR { 949}
(( segid "PAH " and resid 378 and name HB2 ))
(( segid "PAH " and resid 378 and name HA ))
ASSI { 952}
(( segid "PAH " and resid 318 and name HB2 ))
(( segid "PAH " and resid 318 and name HA ))
3.100 1.200 1.200 peak 952 spectrum 1 weight 0.10000E+01 volume 0.16479E-02 ppm1 4.896 ppm2 2.472 CV 1
ASSI { 953}
(( segid "PAH " and resid 318 and name HB1 ))
(( segid "PAH " and resid 318 and name HA ))
2.600 0.800 0.800 peak 953 spectrum 1 weight 0.10000E+01 volume 0.29674E-02 ppm1 4.895 ppm2 3.890 CV 1
ASSI { 955}
( segid "PAH " and resid 372 and name HD1%)
(( segid "PAH " and resid 372 and name HA ))
2.300 0.700 0.700 peak 955 spectrum 1 weight 0.10000E+01 volume 0.72344E-02 ppm1 4.370 ppm2 0.547 CV 1
ASSI { 959}
(( segid "PAH " and resid 323 and name HB2 ))
(( segid "PAH " and resid 323 and name HA ))
2.400 0.700 0.700 peak 959 spectrum 1 weight 0.10000E+01 volume 0.54258E-02 ppm1 4.406 ppm2 2.621 CV 1
ASSI { 961}
( segid "PAH " and resid 362 and name HG2%)
( segid "PAH " and resid 373 and name HD1%)
3.500 1.500 1.500 peak 961 spectrum 1 weight 0.10000E+01 volume 0.97797E-03 ppm1 0.939 ppm2 -0.313 CV 1
ASSI { 967}
(( segid "PAH " and resid 315 and name HB2 ))
(( segid "PAH " and resid 315 and name HG1 ))
2.400 0.700 0.700 peak 967 spectrum 1 weight 0.10000E+01 volume 0.51579E-02 ppm1 0.699 ppm2 1.356 CV 1
OR { 967}
(( segid "PAH " and resid 315 and name HB2 ))
(( segid "PAH " and resid 315 and name HG2 ))
ASSI { 968}
(( segid "PAH " and resid 315 and name HD1 ))
(( segid "PAH " and resid 315 and name HG1 ))
2.200 0.600 0.600 peak 968 spectrum 1 weight 0.10000E+01 volume 0.90428E-02 ppm1 0.699 ppm2 1.449 CV 1
OR { 968}
(( segid "PAH " and resid 315 and name HD2 ))
(( segid "PAH " and resid 315 and name HG2 ))
OR { 968}
(( segid "PAH " and resid 315 and name HD1 ))
(( segid "PAH " and resid 315 and name HG2 ))
OR { 968}
(( segid "PAH " and resid 315 and name HD2 ))
(( segid "PAH " and resid 315 and name HG1 ))
ASSI { 969}
(( segid "PAH " and resid 315 and name HB1 ))
(( segid "PAH " and resid 315 and name HG2 ))
2.700 0.900 0.900 peak 969 spectrum 1 weight 0.10000E+01 volume 0.28670E-02 ppm1 0.699 ppm2 1.625 CV 1
OR { 969}
(( segid "PAH " and resid 315 and name HB1 ))
(( segid "PAH " and resid 315 and name HG1 ))
ASSI { 974}
(( segid "PAH " and resid 337 and name HB1 ))
(( segid "PAH " and resid 337 and name HG1 ))
2.700 0.900 0.900 peak 974 spectrum 1 weight 0.10000E+01 volume 0.52851E-02 ppm1 1.583 ppm2 2.017 CV 1
ASSI { 975}
(( segid "PAH " and resid 337 and name HB1 ))
(( segid "PAH " and resid 337 and name HG2 ))
2.300 0.700 0.700 peak 975 spectrum 1 weight 0.10000E+01 volume 0.54057E-02 ppm1 1.433 ppm2 2.010 CV 1
ASSI { 976}
(( segid "PAH " and resid 373 and name HB1 ))
( segid "PAH " and resid 373 and name HD1%)
2.400 0.700 0.700 peak 976 spectrum 1 weight 0.10000E+01 volume 0.68325E-02 ppm1 0.942 ppm2 2.157 CV 1
ASSI { 979}
(( segid "PAH " and resid 328 and name HB2 ))
( segid "PAH " and resid 365 and name HD1%)
2.900 1.000 1.000 peak 979 spectrum 1 weight 0.10000E+01 volume 0.16546E-02 ppm1 0.793 ppm2 2.991 CV 1
ASSI { 980}
(( segid "PAH " and resid 363 and name HA ))
( segid "PAH " and resid 373 and name HD1%)
2.600 0.800 0.800 peak 980 spectrum 1 weight 0.10000E+01 volume 0.37177E-02 ppm1 0.937 ppm2 3.797 CV 1
ASSI { 982}
(( segid "PAH " and resid 296 and name HA ))
( segid "PAH " and resid 296 and name HD1%)
3.300 1.300 1.300 peak 982 spectrum 1 weight 0.10000E+01 volume 0.11521E-02 ppm1 0.934 ppm2 4.328 CV 1
ASSI { 984}
(( segid "PAH " and resid 328 and name HA ))
( segid "PAH " and resid 365 and name HD1%)
3.300 1.400 1.400 peak 984 spectrum 1 weight 0.10000E+01 volume 0.97128E-03 ppm1 0.797 ppm2 3.903 CV 1
ASSI { 985}
(( segid "PAH " and resid 365 and name HA ))
( segid "PAH " and resid 365 and name HD1%)
3.600 1.600 1.600 peak 985 spectrum 1 weight 0.10000E+01 volume 0.11923E-02 ppm1 0.795 ppm2 4.042 CV 1
ASSI { 989}
(( segid "PAH " and resid 343 and name HA ))
(( segid "PAH " and resid 343 and name HG2 ))
3.200 1.300 1.300 peak 989 spectrum 1 weight 0.10000E+01 volume 0.11723E-02 ppm1 1.469 ppm2 4.139 CV 1
ASSI { 991}
(( segid "PAH " and resid 326 and name HA ))
(( segid "PAH " and resid 326 and name HG1 ))
3.700 1.700 1.700 peak 991 spectrum 1 weight 0.10000E+01 volume 0.46756E-03 ppm1 1.634 ppm2 3.763 CV 1
ASSI { 993}
(( segid "PAH " and resid 353 and name HA ))
( segid "PAH " and resid 353 and name HD1%)
2.600 0.900 0.900 peak 993 spectrum 1 weight 0.10000E+01 volume 0.35703E-02 ppm1 0.940 ppm2 4.719 CV 1
ASSI { 997}
(( segid "PAH " and resid 313 and name HE1 ))
(( segid "PAH " and resid 313 and name HG2 ))
3.100 1.200 1.200 peak 997 spectrum 1 weight 0.10000E+01 volume 0.13464E-02 ppm1 1.184 ppm2 2.885 CV 1
OR { 997}
(( segid "PAH " and resid 313 and name HE2 ))
(( segid "PAH " and resid 313 and name HG2 ))
ASSI { 1000}
( segid "PAH " and resid 362 and name HG1%)
( segid "PAH " and resid 365 and name HD1%)
3.300 1.400 1.400 peak 1000 spectrum 1 weight 0.10000E+01 volume 0.11454E-02 ppm1 0.790 ppm2 0.525 CV 1
ASSI { 1003}
(( segid "PAH " and resid 317 and name HB2 ))
(( segid "PAH " and resid 317 and name HA ))
3.000 1.100 1.100 peak 1003 spectrum 1 weight 0.10000E+01 volume 0.14201E-02 ppm1 3.830 ppm2 1.188 CV 1
ASSI { 1004}
(( segid "PAH " and resid 317 and name HB1 ))
(( segid "PAH " and resid 317 and name HA ))
2.800 1.000 1.000 peak 1004 spectrum 1 weight 0.10000E+01 volume 0.21904E-02 ppm1 3.834 ppm2 1.662 CV 1
ASSI { 1005}
( segid "SID " and resid 12 and name HD2%)
(( segid "PAH " and resid 307 and name HA ))
3.000 1.100 1.100 peak 1005 spectrum 1 weight 0.10000E+01 volume 0.14067E-02 ppm1 4.153 ppm2 0.382 CV 1
ASSI { 1007}
( segid "PAH " and resid 296 and name HD1%)
(( segid "PAH " and resid 296 and name HA ))
2.600 0.900 0.900 peak 1007 spectrum 1 weight 0.10000E+01 volume 0.40861E-02 ppm1 4.332 ppm2 0.926 CV 1
OR { 1007}
( segid "PAH " and resid 296 and name HD2%)
(( segid "PAH " and resid 296 and name HA ))
ASSI { 1010}
(( segid "PAH " and resid 297 and name HB2 ))
(( segid "PAH " and resid 297 and name HA ))
2.800 1.000 1.000 peak 1010 spectrum 1 weight 0.10000E+01 volume 0.25321E-02 ppm1 3.962 ppm2 1.657 CV 1
ASSI { 1012}
(( segid "PAH " and resid 297 and name HG1 ))
(( segid "PAH " and resid 297 and name HA ))
3.000 1.100 1.100 peak 1012 spectrum 1 weight 0.10000E+01 volume 0.17416E-02 ppm1 3.969 ppm2 2.168 CV 1
OR { 1012}
(( segid "PAH " and resid 297 and name HG2 ))
(( segid "PAH " and resid 297 and name HA ))
ASSI { 1014}
(( segid "PAH " and resid 305 and name HB2 ))
(( segid "PAH " and resid 305 and name HA ))
2.400 0.700 0.700 peak 1014 spectrum 1 weight 0.10000E+01 volume 0.60421E-02 ppm1 4.340 ppm2 2.811 CV 1
ASSI { 1015}
(( segid "PAH " and resid 305 and name HB1 ))
(( segid "PAH " and resid 305 and name HA ))
2.500 0.800 0.800 peak 1015 spectrum 1 weight 0.10000E+01 volume 0.50373E-02 ppm1 4.342 ppm2 2.918 CV 1
ASSI { 1016}
(( segid "PAH " and resid 309 and name HB1 ))
(( segid "PAH " and resid 309 and name HA ))
2.800 1.000 1.000 peak 1016 spectrum 1 weight 0.10000E+01 volume 0.26526E-02 ppm1 4.436 ppm2 3.038 CV 1
ASSI { 1017}
(( segid "PAH " and resid 317 and name HD2 ))
(( segid "PAH " and resid 317 and name HA ))
2.600 0.800 0.800 peak 1017 spectrum 1 weight 0.10000E+01 volume 0.33894E-02 ppm1 3.835 ppm2 3.020 CV 1
ASSI { 1019}
(( segid "PAH " and resid 374 and name HB1 ))
(( segid "PAH " and resid 371 and name HA ))
2.800 1.000 1.000 peak 1019 spectrum 1 weight 0.10000E+01 volume 0.23646E-02 ppm1 4.413 ppm2 4.098 CV 1
OR { 1019}
(( segid "PAH " and resid 374 and name HB2 ))
(( segid "PAH " and resid 371 and name HA ))
ASSI { 1020}
(( segid "PAH " and resid 380 and name HA ))
( segid "PAH " and resid 380 and name HD2%)
2.700 0.900 0.900 peak 1020 spectrum 1 weight 0.10000E+01 volume 0.30679E-02 ppm1 0.744 ppm2 4.632 CV 1
ASSI { 1022}
(( segid "SID " and resid 16 and name HA ))
( segid "PAH " and resid 311 and name HG1%)
3.100 1.200 1.200 peak 1022 spectrum 1 weight 0.10000E+01 volume 0.11187E-02 ppm1 1.216 ppm2 4.165 CV 1
ASSI { 1024}
(( segid "PAH " and resid 308 and name HA ))
( segid "PAH " and resid 311 and name HG1%)
3.400 1.400 1.400 peak 1024 spectrum 1 weight 0.10000E+01 volume 0.14000E-02 ppm1 1.217 ppm2 3.490 CV 1
ASSI { 1025}
(( segid "PAH " and resid 311 and name HA ))
( segid "PAH " and resid 311 and name HG1%)
2.400 0.700 0.700 peak 1025 spectrum 1 weight 0.10000E+01 volume 0.48431E-02 ppm1 1.219 ppm2 3.408 CV 1
ASSI { 1029}
(( segid "PAH " and resid 317 and name HD1 ))
(( segid "PAH " and resid 317 and name HG1 ))
3.100 1.200 1.200 peak 1029 spectrum 1 weight 0.10000E+01 volume 0.14335E-02 ppm1 0.974 ppm2 3.126 CV 1
ASSI { 1033}
(( segid "PAH " and resid 367 and name HB2 ))
(( segid "PAH " and resid 367 and name HG2 ))
2.300 0.600 0.600 peak 1033 spectrum 1 weight 0.10000E+01 volume 0.78374E-02 ppm1 1.494 ppm2 1.902 CV 1
OR { 1033}
(( segid "PAH " and resid 367 and name HB2 ))
(( segid "PAH " and resid 367 and name HG1 ))
ASSI { 1035}
( segid "SID " and resid 16 and name HB% )
( segid "PAH " and resid 311 and name HG1%)
2.900 1.100 1.100 peak 1035 spectrum 1 weight 0.10000E+01 volume 0.17416E-02 ppm1 1.222 ppm2 1.660 CV 1
ASSI { 1037}
(( segid "PAH " and resid 296 and name HG ))
( segid "PAH " and resid 296 and name HD1%)
2.500 0.800 0.800 peak 1037 spectrum 1 weight 0.10000E+01 volume 0.42067E-02 ppm1 0.942 ppm2 1.699 CV 1
OR { 1037}
(( segid "PAH " and resid 296 and name HB1 ))
( segid "PAH " and resid 296 and name HD1%)
ASSI { 1038}
(( segid "PAH " and resid 355 and name HG1 ))
( segid "PAH " and resid 380 and name HD2%)
4.000 2.000 2.000 peak 1038 spectrum 1 weight 0.10000E+01 volume 0.51378E-03 ppm1 0.752 ppm2 2.479 CV 1
ASSI { 1039}
(( segid "PAH " and resid 355 and name HG2 ))
( segid "PAH " and resid 380 and name HD2%)
3.800 1.800 1.800 peak 1039 spectrum 1 weight 0.10000E+01 volume 0.31885E-03 ppm1 0.752 ppm2 2.410 CV 1
ASSI { 1040}
(( segid "PAH " and resid 355 and name HB1 ))
( segid "PAH " and resid 380 and name HD2%)
3.700 1.700 1.700 peak 1040 spectrum 1 weight 0.10000E+01 volume 0.40526E-03 ppm1 0.748 ppm2 2.185 CV 1
ASSI { 1042}
(( segid "SID " and resid 9 and name HG11))
( segid "PAH " and resid 380 and name HD2%)
3.000 1.100 1.100 peak 1042 spectrum 1 weight 0.10000E+01 volume 0.17684E-02 ppm1 0.748 ppm2 1.649 CV 1
ASSI { 1043}
(( segid "PAH " and resid 380 and name HB1 ))
( segid "PAH " and resid 380 and name HD2%)
2.400 0.700 0.700 peak 1043 spectrum 1 weight 0.10000E+01 volume 0.47292E-02 ppm1 0.751 ppm2 1.536 CV 1
ASSI { 1044}
(( segid "PAH " and resid 380 and name HG ))
( segid "PAH " and resid 380 and name HD2%)
2.300 0.700 0.700 peak 1044 spectrum 1 weight 0.10000E+01 volume 0.71675E-02 ppm1 0.748 ppm2 1.358 CV 1
OR { 1044}
(( segid "PAH " and resid 380 and name HB2 ))
( segid "PAH " and resid 380 and name HD2%)
ASSI { 1045}
(( segid "PAH " and resid 317 and name HB2 ))
(( segid "PAH " and resid 317 and name HG2 ))
3.000 1.100 1.100 peak 1045 spectrum 1 weight 0.10000E+01 volume 0.13129E-02 ppm1 0.517 ppm2 1.185 CV 1
ASSI { 1046}
(( segid "PAH " and resid 317 and name HG1 ))
(( segid "PAH " and resid 317 and name HG2 ))
2.000 0.500 0.500 peak 1046 spectrum 1 weight 0.10000E+01 volume 0.92443E-02 ppm1 0.522 ppm2 0.978 CV 1
ASSI { 1048}
( segid "SID " and resid 12 and name HD2%)
( segid "PAH " and resid 311 and name HG1%)
2.800 2.800 3.200 peak 1048 spectrum 1 weight 0.10000E+01 volume 0.37914E-02 ppm1 1.214 ppm2 0.383 CV 1
ASSI { 1050}
( segid "PAH " and resid 372 and name HD2%)
(( segid "PAH " and resid 317 and name HG1 ))
3.000 1.100 1.100 peak 1050 spectrum 1 weight 0.10000E+01 volume 0.94451E-03 ppm1 0.959 ppm2 0.232 CV 1
ASSI { 1051}
(( segid "PAH " and resid 296 and name HA ))
( segid "PAH " and resid 296 and name HD2%)
2.700 0.900 0.900 peak 1051 spectrum 1 weight 0.10000E+01 volume 0.28938E-02 ppm1 0.906 ppm2 4.343 CV 1
ASSI { 1054}
(( segid "PAH " and resid 363 and name HA ))
( segid "PAH " and resid 373 and name HD2%)
2.500 0.800 0.800 peak 1054 spectrum 1 weight 0.10000E+01 volume 0.38785E-02 ppm1 0.809 ppm2 3.796 CV 1
ASSI { 1056}
(( segid "PAH " and resid 358 and name HA ))
( segid "PAH " and resid 358 and name HG1%)
2.600 0.800 0.800 peak 1056 spectrum 1 weight 0.10000E+01 volume 0.35234E-02 ppm1 0.826 ppm2 3.441 CV 1
ASSI { 1059}
(( segid "SID " and resid 12 and name HA ))
( segid "PAH " and resid 311 and name HG2%)
3.800 1.800 1.800 peak 1059 spectrum 1 weight 0.10000E+01 volume 0.35837E-03 ppm1 1.142 ppm2 3.963 CV 1
ASSI { 1060}
(( segid "PAH " and resid 308 and name HA ))
( segid "PAH " and resid 311 and name HG2%)
3.800 1.800 1.800 peak 1060 spectrum 1 weight 0.10000E+01 volume 0.40326E-03 ppm1 1.149 ppm2 3.487 CV 1
ASSI { 1062}
(( segid "PAH " and resid 335 and name HB2 ))
( segid "PAH " and resid 358 and name HG1%)
2.900 1.000 1.000 peak 1062 spectrum 1 weight 0.10000E+01 volume 0.24248E-02 ppm1 0.824 ppm2 3.000 CV 1
ASSI { 1066}
( segid "SID " and resid 16 and name HB% )
( segid "PAH " and resid 311 and name HG2%)
2.600 0.800 0.800 peak 1066 spectrum 1 weight 0.10000E+01 volume 0.36172E-02 ppm1 1.152 ppm2 1.657 CV 1
ASSI { 1067}
(( segid "PAH " and resid 373 and name HB2 ))
( segid "PAH " and resid 373 and name HD2%)
2.500 0.800 0.800 peak 1067 spectrum 1 weight 0.10000E+01 volume 0.51043E-02 ppm1 0.805 ppm2 1.738 CV 1
ASSI { 1069}
(( segid "PAH " and resid 365 and name HG ))
( segid "PAH " and resid 365 and name HD2%)
2.300 0.700 0.700 peak 1069 spectrum 1 weight 0.10000E+01 volume 0.66583E-02 ppm1 0.768 ppm2 1.653 CV 1
ASSI { 1072}
( segid "PAH " and resid 363 and name HB% )
( segid "PAH " and resid 373 and name HD2%)
2.500 0.800 0.800 peak 1072 spectrum 1 weight 0.10000E+01 volume 0.56603E-02 ppm1 0.806 ppm2 1.254 CV 1
ASSI { 1073}
( segid "PAH " and resid 310 and name HD% )
( segid "PAH " and resid 311 and name HG2%)
2.500 0.800 0.800 peak 1073 spectrum 1 weight 0.10000E+01 volume 0.41531E-02 ppm1 1.151 ppm2 0.979 CV 1
ASSI { 1076}
( segid "SID " and resid 12 and name HD2%)
( segid "PAH " and resid 311 and name HG2%)
3.300 1.400 1.400 peak 1076 spectrum 1 weight 0.10000E+01 volume 0.85743E-03 ppm1 1.146 ppm2 0.383 CV 1
ASSI { 1077}
(( segid "PAH " and resid 310 and name HB2 ))
(( segid "PAH " and resid 307 and name HA ))
3.200 1.300 1.300 peak 1077 spectrum 1 weight 0.10000E+01 volume 0.13665E-02 ppm1 4.153 ppm2 2.939 CV 1
ASSI { 1079}
(( segid "PAH " and resid 312 and name HB1 ))
(( segid "PAH " and resid 312 and name HA ))
2.700 0.900 0.900 peak 1079 spectrum 1 weight 0.10000E+01 volume 0.42201E-02 ppm1 4.357 ppm2 2.876 CV 1
ASSI { 1083}
(( segid "PAH " and resid 296 and name HB1 ))
(( segid "PAH " and resid 296 and name HA ))
2.900 1.000 1.000 peak 1083 spectrum 1 weight 0.10000E+01 volume 0.18354E-02 ppm1 4.333 ppm2 1.700 CV 1
OR { 1083}
(( segid "PAH " and resid 296 and name HG ))
(( segid "PAH " and resid 296 and name HA ))
ASSI { 1084}
(( segid "PAH " and resid 315 and name HB1 ))
(( segid "PAH " and resid 312 and name HA ))
2.500 0.800 0.800 peak 1084 spectrum 1 weight 0.10000E+01 volume 0.32756E-02 ppm1 4.359 ppm2 1.625 CV 1
ASSI { 1087}
(( segid "PAH " and resid 317 and name HG1 ))
(( segid "PAH " and resid 317 and name HA ))
3.600 1.700 1.700 peak 1087 spectrum 1 weight 0.10000E+01 volume 0.61024E-03 ppm1 3.834 ppm2 0.982 CV 1
ASSI { 1088}
(( segid "PAH " and resid 317 and name HG2 ))
(( segid "PAH " and resid 317 and name HA ))
3.400 1.500 1.500 peak 1088 spectrum 1 weight 0.10000E+01 volume 0.93781E-03 ppm1 3.830 ppm2 0.531 CV 1
ASSI { 1091}
( segid "PAH " and resid 363 and name HB% )
(( segid "PAH " and resid 363 and name HA ))
2.200 0.600 0.600 peak 1091 spectrum 1 weight 0.10000E+01 volume 0.89089E-02 ppm1 3.788 ppm2 1.253 CV 1
ASSI { 1098}
(( segid "PAH " and resid 296 and name HG ))
( segid "PAH " and resid 296 and name HD2%)
3.100 1.200 1.200 peak 1098 spectrum 1 weight 0.10000E+01 volume 0.12325E-02 ppm1 0.905 ppm2 1.685 CV 1
OR { 1098}
(( segid "PAH " and resid 296 and name HB1 ))
( segid "PAH " and resid 296 and name HD2%)
ASSI { 1099}
(( segid "PAH " and resid 296 and name HB2 ))
( segid "PAH " and resid 296 and name HD2%)
3.200 1.300 1.300 peak 1099 spectrum 1 weight 0.10000E+01 volume 0.14670E-02 ppm1 0.908 ppm2 1.578 CV 1
ASSI { 1104}
( segid "PAH " and resid 362 and name HG2%)
( segid "PAH " and resid 358 and name HG1%)
2.800 1.000 1.000 peak 1104 spectrum 1 weight 0.10000E+01 volume 0.20296E-02 ppm1 0.809 ppm2 -0.315 CV 1
ASSI { 1105}
( segid "PAH " and resid 362 and name HG2%)
( segid "PAH " and resid 362 and name HG1%)
2.200 0.600 0.600 peak 1105 spectrum 1 weight 0.10000E+01 volume 0.85743E-02 ppm1 0.498 ppm2 -0.316 CV 1
ASSI { 1106}
( segid "PAH " and resid 314 and name HD1%)
( segid "PAH " and resid 311 and name HG2%)
3.300 1.400 1.400 peak 1106 spectrum 1 weight 0.10000E+01 volume 0.56803E-03 ppm1 1.145 ppm2 0.078 CV 1
ASSI { 1110}
( segid "PAH " and resid 327 and name HB% )
(( segid "PAH " and resid 327 and name HA ))
2.100 0.500 0.500 peak 1110 spectrum 1 weight 0.10000E+01 volume 0.13397E-01 ppm1 4.114 ppm2 1.547 CV 1
ASSI { 1111}
(( segid "PAH " and resid 330 and name HB2 ))
(( segid "PAH " and resid 327 and name HA ))
2.700 0.900 0.900 peak 1111 spectrum 1 weight 0.10000E+01 volume 0.29541E-02 ppm1 4.107 ppm2 2.108 CV 1
OR { 1111}
(( segid "PAH " and resid 330 and name HB1 ))
(( segid "PAH " and resid 327 and name HA ))
ASSI { 1112}
(( segid "PAH " and resid 349 and name HB2 ))
(( segid "PAH " and resid 342 and name HA ))
3.200 1.300 1.300 peak 1112 spectrum 1 weight 0.10000E+01 volume 0.16009E-02 ppm1 3.939 ppm2 2.793 CV 1
ASSI { 1114}
(( segid "PAH " and resid 341 and name HB2 ))
(( segid "PAH " and resid 341 and name HA ))
2.500 0.800 0.800 peak 1114 spectrum 1 weight 0.10000E+01 volume 0.50306E-02 ppm1 4.320 ppm2 2.400 CV 1
ASSI { 1116}
(( segid "PAH " and resid 344 and name HB2 ))
(( segid "PAH " and resid 341 and name HA ))
3.000 1.100 1.100 peak 1116 spectrum 1 weight 0.10000E+01 volume 0.18354E-02 ppm1 4.319 ppm2 1.979 CV 1
ASSI { 1117}
( segid "PAH " and resid 353 and name HD2%)
(( segid "PAH " and resid 353 and name HA ))
2.600 0.800 0.800 peak 1117 spectrum 1 weight 0.10000E+01 volume 0.40258E-02 ppm1 4.706 ppm2 0.948 CV 1
OR { 1117}
( segid "PAH " and resid 353 and name HD1%)
(( segid "PAH " and resid 353 and name HA ))
ASSI { 1119}
(( segid "PAH " and resid 353 and name HB1 ))
(( segid "PAH " and resid 353 and name HA ))
2.800 1.000 1.000 peak 1119 spectrum 1 weight 0.10000E+01 volume 0.19560E-02 ppm1 4.702 ppm2 1.686 CV 1
OR { 1119}
(( segid "PAH " and resid 353 and name HG ))
(( segid "PAH " and resid 353 and name HA ))
ASSI { 1120}
(( segid "PAH " and resid 368 and name HB2 ))
(( segid "PAH " and resid 368 and name HA ))
2.600 0.800 0.800 peak 1120 spectrum 1 weight 0.10000E+01 volume 0.43139E-02 ppm1 4.741 ppm2 3.114 CV 1
OR { 1120}
(( segid "PAH " and resid 368 and name HB1 ))
(( segid "PAH " and resid 368 and name HA ))
ASSI { 1121}
(( segid "PAH " and resid 349 and name HB1 ))
(( segid "PAH " and resid 342 and name HA ))
3.600 1.600 1.600 peak 1121 spectrum 1 weight 0.10000E+01 volume 0.41464E-03 ppm1 3.941 ppm2 2.964 CV 1
ASSI { 1122}
(( segid "PAH " and resid 301 and name HD1 ))
(( segid "PAH " and resid 300 and name HA ))
2.300 0.700 0.700 peak 1122 spectrum 1 weight 0.10000E+01 volume 0.59215E-02 ppm1 4.710 ppm2 3.701 CV 1
ASSI { 1123}
(( segid "PAH " and resid 301 and name HD2 ))
(( segid "PAH " and resid 300 and name HA ))
2.400 0.700 0.700 peak 1123 spectrum 1 weight 0.10000E+01 volume 0.54124E-02 ppm1 4.709 ppm2 3.634 CV 1
ASSI { 1127}
(( segid "PAH " and resid 300 and name HG2 ))
(( segid "PAH " and resid 300 and name HA ))
2.800 0.900 0.900 peak 1127 spectrum 1 weight 0.10000E+01 volume 0.22708E-02 ppm1 4.709 ppm2 2.230 CV 1
ASSI { 1129}
(( segid "PAH " and resid 321 and name HB1 ))
(( segid "PAH " and resid 321 and name HA ))
2.500 0.800 0.800 peak 1129 spectrum 1 weight 0.10000E+01 volume 0.42134E-02 ppm1 4.950 ppm2 2.386 CV 1
OR { 1129}
(( segid "PAH " and resid 321 and name HG2 ))
(( segid "PAH " and resid 321 and name HA ))
ASSI { 1131}
(( segid "PAH " and resid 322 and name HD1 ))
(( segid "PAH " and resid 321 and name HA ))
2.600 0.800 0.800 peak 1131 spectrum 1 weight 0.10000E+01 volume 0.52918E-02 ppm1 4.952 ppm2 3.777 CV 1
ASSI { 1134}
(( segid "PAH " and resid 354 and name HB ))
( segid "PAH " and resid 354 and name HG2%)
2.000 0.500 0.500 peak 1134 spectrum 1 weight 0.10000E+01 volume 0.16679E-01 ppm1 1.353 ppm2 4.774 CV 1
OR { 1134}
(( segid "PAH " and resid 354 and name HA ))
( segid "PAH " and resid 354 and name HG2%)
ASSI { 1135}
(( segid "PAH " and resid 334 and name HB ))
( segid "PAH " and resid 334 and name HG2%)
2.300 0.600 0.600 peak 1135 spectrum 1 weight 0.10000E+01 volume 0.81051E-02 ppm1 1.290 ppm2 4.405 CV 1
ASSI { 1138}
(( segid "PAH " and resid 338 and name HG1 ))
( segid "PAH " and resid 334 and name HG2%)
3.400 1.500 1.500 peak 1138 spectrum 1 weight 0.10000E+01 volume 0.82390E-03 ppm1 1.287 ppm2 2.514 CV 1
ASSI { 1140}
(( segid "PAH " and resid 314 and name HA ))
( segid "PAH " and resid 372 and name HD1%)
3.300 1.400 1.400 peak 1140 spectrum 1 weight 0.10000E+01 volume 0.10517E-02 ppm1 0.528 ppm2 3.154 CV 1
ASSI { 1145}
(( segid "PAH " and resid 372 and name HG ))
( segid "PAH " and resid 372 and name HD1%)
2.200 0.600 0.600 peak 1145 spectrum 1 weight 0.10000E+01 volume 0.80382E-02 ppm1 0.535 ppm2 1.600 CV 1
ASSI { 1149}
( segid "PAH " and resid 372 and name HD2%)
( segid "PAH " and resid 372 and name HD1%)
2.300 0.600 0.600 peak 1149 spectrum 1 weight 0.10000E+01 volume 0.76367E-02 ppm1 0.533 ppm2 0.230 CV 1
ASSI { 1150}
( segid "PAH " and resid 314 and name HD1%)
( segid "PAH " and resid 372 and name HD1%)
3.900 1.900 1.900 peak 1150 spectrum 1 weight 0.10000E+01 volume 0.71005E-03 ppm1 0.533 ppm2 0.077 CV 1
ASSI { 1151}
(( segid "PAH " and resid 353 and name HG ))
( segid "PAH " and resid 334 and name HG2%)
3.100 1.200 1.200 peak 1151 spectrum 1 weight 0.10000E+01 volume 0.12258E-02 ppm1 1.288 ppm2 1.698 CV 1
OR { 1151}
(( segid "PAH " and resid 353 and name HB1 ))
( segid "PAH " and resid 334 and name HG2%)
ASSI { 1152}
(( segid "PAH " and resid 353 and name HB2 ))
( segid "PAH " and resid 334 and name HG2%)
2.900 1.100 1.100 peak 1152 spectrum 1 weight 0.10000E+01 volume 0.17282E-02 ppm1 1.293 ppm2 1.582 CV 1
ASSI { 1156}
(( segid "PAH " and resid 299 and name HB1 ))
(( segid "PAH " and resid 299 and name HA ))
2.800 1.000 1.000 peak 1156 spectrum 1 weight 0.10000E+01 volume 0.25722E-02 ppm1 4.708 ppm2 2.863 CV 1
ASSI { 1158}
(( segid "PAH " and resid 298 and name HB1 ))
(( segid "PAH " and resid 298 and name HA ))
2.600 0.800 0.800 peak 1158 spectrum 1 weight 0.10000E+01 volume 0.39589E-02 ppm1 4.633 ppm2 2.809 CV 1
ASSI { 1159}
(( segid "PAH " and resid 298 and name HB1 ))
(( segid "PAH " and resid 298 and name HA ))
2.600 0.900 0.900 peak 1159 spectrum 1 weight 0.10000E+01 volume 0.35703E-02 ppm1 4.633 ppm2 2.752 CV 1
OR { 1159}
(( segid "PAH " and resid 298 and name HB2 ))
(( segid "PAH " and resid 298 and name HA ))
ASSI { 1162}
(( segid "PAH " and resid 329 and name HB1 ))
( segid "PAH " and resid 329 and name HD2%)
3.400 1.400 1.400 peak 1162 spectrum 1 weight 0.10000E+01 volume 0.62096E-03 ppm1 0.606 ppm2 1.791 CV 1
ASSI { 1163}
( segid "SID " and resid 16 and name HB% )
( segid "PAH " and resid 329 and name HD2%)
2.400 0.700 0.700 peak 1163 spectrum 1 weight 0.10000E+01 volume 0.56937E-02 ppm1 0.604 ppm2 1.656 CV 1
ASSI { 1164}
(( segid "PAH " and resid 329 and name HG ))
( segid "PAH " and resid 329 and name HD2%)
2.400 0.700 0.700 peak 1164 spectrum 1 weight 0.10000E+01 volume 0.50842E-02 ppm1 0.604 ppm2 1.361 CV 1
ASSI { 1165}
(( segid "PAH " and resid 329 and name HB2 ))
( segid "PAH " and resid 329 and name HD2%)
3.000 1.100 1.100 peak 1165 spectrum 1 weight 0.10000E+01 volume 0.34497E-02 ppm1 0.606 ppm2 1.128 CV 1
ASSI { 1167}
(( segid "PAH " and resid 348 and name HB1 ))
(( segid "PAH " and resid 348 and name HA ))
2.700 0.900 0.900 peak 1167 spectrum 1 weight 0.10000E+01 volume 0.30411E-02 ppm1 4.776 ppm2 2.896 CV 1
ASSI { 1171}
( segid "PAH " and resid 345 and name HB% )
(( segid "PAH " and resid 345 and name HA ))
2.200 0.600 0.600 peak 1171 spectrum 1 weight 0.10000E+01 volume 0.94451E-02 ppm1 4.341 ppm2 1.453 CV 1
ASSI { 1173}
(( segid "PAH " and resid 350 and name HA ))
( segid "PAH " and resid 350 and name HG2%)
2.800 1.000 1.000 peak 1173 spectrum 1 weight 0.10000E+01 volume 0.39119E-02 ppm1 1.123 ppm2 4.560 CV 1
ASSI { 1175}
(( segid "PAH " and resid 351 and name HD1 ))
( segid "PAH " and resid 350 and name HG2%)
2.600 2.600 3.400 peak 1175 spectrum 1 weight 0.10000E+01 volume 0.26258E-02 ppm1 1.125 ppm2 3.749 CV 1
OR { 1175}
(( segid "PAH " and resid 351 and name HD2 ))
( segid "PAH " and resid 350 and name HG2%)
ASSI { 1178}
(( segid "PAH " and resid 355 and name HA ))
( segid "PAH " and resid 358 and name HG2%)
4.100 2.100 1.900 peak 1178 spectrum 1 weight 0.10000E+01 volume 0.28938E-03 ppm1 0.749 ppm2 3.732 CV 1
ASSI { 1190}
(( segid "PAH " and resid 332 and name HG ))
( segid "PAH " and resid 332 and name HD1%)
2.300 0.700 0.700 peak 1190 spectrum 1 weight 0.10000E+01 volume 0.61292E-02 ppm1 0.556 ppm2 1.403 CV 1
ASSI { 1197}
( segid "PAH " and resid 332 and name HD2%)
( segid "PAH " and resid 332 and name HD1%)
2.100 0.500 0.500 peak 1197 spectrum 1 weight 0.10000E+01 volume 0.14469E-01 ppm1 0.551 ppm2 0.399 CV 1
ASSI { 1198}
(( segid "PAH " and resid 332 and name HB1 ))
( segid "PAH " and resid 332 and name HD1%)
3.300 1.400 1.400 peak 1198 spectrum 1 weight 0.10000E+01 volume 0.77705E-03 ppm1 0.551 ppm2 1.729 CV 1
ASSI { 1200}
(( segid "PAH " and resid 366 and name HB1 ))
(( segid "PAH " and resid 366 and name HA ))
2.600 0.900 0.900 peak 1200 spectrum 1 weight 0.10000E+01 volume 0.25254E-02 ppm1 4.922 ppm2 3.743 CV 1
ASSI { 1203}
(( segid "PAH " and resid 369 and name HB1 ))
(( segid "PAH " and resid 369 and name HA ))
2.700 0.900 0.900 peak 1203 spectrum 1 weight 0.10000E+01 volume 0.24584E-02 ppm1 4.827 ppm2 1.888 CV 1
ASSI { 1204}
(( segid "PAH " and resid 369 and name HB2 ))
(( segid "PAH " and resid 369 and name HA ))
2.800 1.000 1.000 peak 1204 spectrum 1 weight 0.10000E+01 volume 0.31952E-02 ppm1 4.827 ppm2 1.818 CV 1
ASSI { 1205}
(( segid "PAH " and resid 381 and name HD1 ))
(( segid "PAH " and resid 380 and name HA ))
2.300 0.600 0.600 peak 1205 spectrum 1 weight 0.10000E+01 volume 0.68995E-02 ppm1 4.616 ppm2 3.669 CV 1
OR { 1205}
(( segid "PAH " and resid 381 and name HD2 ))
(( segid "PAH " and resid 380 and name HA ))
ASSI { 1206}
(( segid "PAH " and resid 380 and name HB1 ))
(( segid "PAH " and resid 380 and name HA ))
2.600 0.900 0.900 peak 1206 spectrum 1 weight 0.10000E+01 volume 0.29071E-02 ppm1 4.616 ppm2 1.532 CV 1
ASSI { 1207}
(( segid "PAH " and resid 380 and name HB2 ))
(( segid "PAH " and resid 380 and name HA ))
2.700 0.900 0.900 peak 1207 spectrum 1 weight 0.10000E+01 volume 0.27866E-02 ppm1 4.618 ppm2 1.360 CV 1
OR { 1207}
(( segid "PAH " and resid 380 and name HG ))
(( segid "PAH " and resid 380 and name HA ))
ASSI { 1208}
( segid "PAH " and resid 380 and name HD2%)
(( segid "PAH " and resid 380 and name HA ))
2.600 0.800 0.800 peak 1208 spectrum 1 weight 0.10000E+01 volume 0.40057E-02 ppm1 4.617 ppm2 0.769 CV 1
OR { 1208}
( segid "PAH " and resid 380 and name HD1%)
(( segid "PAH " and resid 380 and name HA ))
ASSI { 1209}
(( segid "PAH " and resid 383 and name HA ))
( segid "PAH " and resid 383 and name HB% )
2.700 0.900 0.900 peak 1209 spectrum 1 weight 0.10000E+01 volume 0.29541E-02 ppm1 1.283 ppm2 4.067 CV 1
ASSI { 1210}
( segid "PAH " and resid 380 and name HD1%)
( segid "PAH " and resid 383 and name HB% )
3.100 1.200 1.200 peak 1210 spectrum 1 weight 0.10000E+01 volume 0.13598E-02 ppm1 1.288 ppm2 0.793 CV 1
OR { 1210}
( segid "PAH " and resid 380 and name HD2%)
( segid "PAH " and resid 383 and name HB% )
ASSI { 1212}
(( segid "PAH " and resid 352 and name HA ))
( segid "PAH " and resid 352 and name HB% )
2.200 0.600 0.600 peak 1212 spectrum 1 weight 0.10000E+01 volume 0.93112E-02 ppm1 1.388 ppm2 4.254 CV 1
ASSI { 1214}
(( segid "PAH " and resid 349 and name HB1 ))
( segid "PAH " and resid 345 and name HB% )
3.200 1.300 1.300 peak 1214 spectrum 1 weight 0.10000E+01 volume 0.17216E-02 ppm1 1.438 ppm2 2.974 CV 1
ASSI { 1217}
(( segid "PAH " and resid 338 and name HG2 ))
( segid "PAH " and resid 352 and name HB% )
3.500 1.500 1.500 peak 1217 spectrum 1 weight 0.10000E+01 volume 0.79043E-03 ppm1 1.385 ppm2 2.434 CV 1
ASSI { 1218}
(( segid "PAH " and resid 338 and name HB2 ))
( segid "PAH " and resid 352 and name HB% )
4.100 2.100 1.900 peak 1218 spectrum 1 weight 0.10000E+01 volume 0.35301E-03 ppm1 1.383 ppm2 2.247 CV 1
OR { 1218}
(( segid "PAH " and resid 338 and name HB1 ))
( segid "PAH " and resid 352 and name HB% )
ASSI { 1220}
(( segid "PAH " and resid 350 and name HA ))
(( segid "PAH " and resid 351 and name HD2 ))
2.200 0.600 0.600 peak 1220 spectrum 1 weight 0.10000E+01 volume 0.93781E-02 ppm1 3.730 ppm2 4.562 CV 1
ASSI { 1223}
(( segid "PAH " and resid 351 and name HG2 ))
(( segid "PAH " and resid 351 and name HD1 ))
2.900 1.100 1.100 peak 1223 spectrum 1 weight 0.10000E+01 volume 0.27330E-02 ppm1 3.773 ppm2 1.989 CV 1
ASSI { 1224}
(( segid "PAH " and resid 351 and name HG2 ))
(( segid "PAH " and resid 351 and name HD2 ))
2.500 0.800 0.800 peak 1224 spectrum 1 weight 0.10000E+01 volume 0.30411E-02 ppm1 3.730 ppm2 1.988 CV 1
ASSI { 1225}
(( segid "PAH " and resid 351 and name HB2 ))
(( segid "PAH " and resid 351 and name HD1 ))
3.400 1.400 1.400 peak 1225 spectrum 1 weight 0.10000E+01 volume 0.14938E-02 ppm1 3.773 ppm2 1.920 CV 1
ASSI { 1227}
( segid "PAH " and resid 342 and name HB% )
(( segid "PAH " and resid 351 and name HD1 ))
3.400 1.400 1.400 peak 1227 spectrum 1 weight 0.10000E+01 volume 0.87082E-03 ppm1 3.753 ppm2 1.477 CV 1
OR { 1227}
( segid "PAH " and resid 342 and name HB% )
(( segid "PAH " and resid 351 and name HD2 ))
ASSI { 1228}
( segid "PAH " and resid 350 and name HG2%)
(( segid "PAH " and resid 351 and name HD1 ))
3.200 1.300 1.300 peak 1228 spectrum 1 weight 0.10000E+01 volume 0.71675E-03 ppm1 3.777 ppm2 1.141 CV 1
ASSI { 1229}
( segid "PAH " and resid 350 and name HG2%)
(( segid "PAH " and resid 351 and name HD2 ))
3.000 3.000 3.000 peak 1229 spectrum 1 weight 0.10000E+01 volume 0.10785E-02 ppm1 3.727 ppm2 1.139 CV 1
ASSI { 1231}
(( segid "PAH " and resid 351 and name HB1 ))
(( segid "PAH " and resid 351 and name HD2 ))
4.300 2.300 1.700 peak 1231 spectrum 1 weight 0.10000E+01 volume 0.36239E-03 ppm1 3.724 ppm2 2.339 CV 1
ASSI { 1232}
( segid "PAH " and resid 380 and name HD2%)
(( segid "PAH " and resid 381 and name HD2 ))
3.200 1.300 1.300 peak 1232 spectrum 1 weight 0.10000E+01 volume 0.14335E-02 ppm1 3.655 ppm2 0.768 CV 1
OR { 1232}
( segid "PAH " and resid 380 and name HD1%)
(( segid "PAH " and resid 381 and name HD2 ))
OR { 1232}
( segid "PAH " and resid 380 and name HD2%)
(( segid "PAH " and resid 381 and name HD1 ))
ASSI { 1233}
(( segid "PAH " and resid 380 and name HB1 ))
(( segid "PAH " and resid 381 and name HD2 ))
3.000 1.200 1.200 peak 1233 spectrum 1 weight 0.10000E+01 volume 0.13531E-02 ppm1 3.653 ppm2 1.530 CV 1
OR { 1233}
(( segid "PAH " and resid 380 and name HB1 ))
(( segid "PAH " and resid 381 and name HD1 ))
ASSI { 1236}
(( segid "PAH " and resid 322 and name HG1 ))
(( segid "PAH " and resid 322 and name HD1 ))
2.400 0.700 0.700 peak 1236 spectrum 1 weight 0.10000E+01 volume 0.50373E-02 ppm1 3.768 ppm2 2.152 CV 1
ASSI { 1237}
(( segid "PAH " and resid 322 and name HG2 ))
(( segid "PAH " and resid 322 and name HD1 ))
2.700 0.900 0.900 peak 1237 spectrum 1 weight 0.10000E+01 volume 0.60421E-02 ppm1 3.769 ppm2 2.092 CV 1
ASSI { 1239}
(( segid "PAH " and resid 322 and name HG2 ))
(( segid "PAH " and resid 322 and name HD2 ))
2.400 0.700 0.700 peak 1239 spectrum 1 weight 0.10000E+01 volume 0.45684E-02 ppm1 3.482 ppm2 2.128 CV 1
OR { 1239}
(( segid "PAH " and resid 322 and name HG1 ))
(( segid "PAH " and resid 322 and name HD2 ))
ASSI { 1241}
(( segid "PAH " and resid 322 and name HD1 ))
(( segid "PAH " and resid 322 and name HD2 ))
1.800 0.400 0.400 peak 1241 spectrum 1 weight 0.10000E+01 volume 0.16479E-01 ppm1 3.484 ppm2 3.781 CV 1
ASSI { 1244}
(( segid "PAH " and resid 321 and name HA ))
(( segid "PAH " and resid 322 and name HD2 ))
2.500 0.800 0.800 peak 1244 spectrum 1 weight 0.10000E+01 volume 0.31952E-02 ppm1 3.483 ppm2 4.964 CV 1
ASSI { 1249}
(( segid "PAH " and resid 307 and name HA ))
( segid "PAH " and resid 307 and name HB% )
2.200 0.600 0.600 peak 1249 spectrum 1 weight 0.10000E+01 volume 0.98466E-02 ppm1 1.486 ppm2 4.161 CV 1
ASSI { 1251}
(( segid "SID " and resid 11 and name HG2 ))
( segid "PAH " and resid 307 and name HB% )
3.400 1.500 1.500 peak 1251 spectrum 1 weight 0.10000E+01 volume 0.68995E-03 ppm1 1.486 ppm2 2.671 CV 1
ASSI { 1252}
( segid "SID " and resid 11 and name HE% )
( segid "PAH " and resid 307 and name HB% )
3.300 1.400 1.400 peak 1252 spectrum 1 weight 0.10000E+01 volume 0.10986E-02 ppm1 1.483 ppm2 2.282 CV 1
OR { 1252}
(( segid "SID " and resid 11 and name HB2 ))
( segid "PAH " and resid 307 and name HB% )
ASSI { 1256}
( segid "SID " and resid 12 and name HD2%)
( segid "PAH " and resid 307 and name HB% )
2.900 1.000 1.000 peak 1256 spectrum 1 weight 0.10000E+01 volume 0.18890E-02 ppm1 1.486 ppm2 0.384 CV 1
ASSI { 1257}
(( segid "PAH " and resid 380 and name HB2 ))
(( segid "PAH " and resid 381 and name HD2 ))
3.700 1.700 1.700 peak 1257 spectrum 1 weight 0.10000E+01 volume 0.87082E-03 ppm1 3.654 ppm2 1.358 CV 1
OR { 1257}
(( segid "PAH " and resid 380 and name HG ))
(( segid "PAH " and resid 381 and name HD2 ))
OR { 1257}
(( segid "PAH " and resid 380 and name HB2 ))
(( segid "PAH " and resid 381 and name HD1 ))
ASSI { 1259}
(( segid "PAH " and resid 301 and name HB1 ))
(( segid "PAH " and resid 301 and name HD1 ))
3.300 1.400 1.400 peak 1259 spectrum 1 weight 0.10000E+01 volume 0.97797E-03 ppm1 3.661 ppm2 2.406 CV 1
ASSI { 1260}
(( segid "PAH " and resid 322 and name HB1 ))
(( segid "PAH " and resid 322 and name HD1 ))
3.400 1.400 1.400 peak 1260 spectrum 1 weight 0.10000E+01 volume 0.68325E-03 ppm1 3.770 ppm2 2.470 CV 1
ASSI { 1262}
(( segid "PAH " and resid 360 and name HA ))
( segid "PAH " and resid 360 and name HB% )
2.000 0.500 0.500 peak 1262 spectrum 1 weight 0.10000E+01 volume 0.17282E-01 ppm1 1.562 ppm2 4.056 CV 1
ASSI { 1263}
(( segid "PAH " and resid 357 and name HA ))
( segid "PAH " and resid 360 and name HB% )
2.400 0.700 0.700 peak 1263 spectrum 1 weight 0.10000E+01 volume 0.56536E-02 ppm1 1.562 ppm2 4.263 CV 1
ASSI { 1265}
(( segid "PAH " and resid 351 and name HD1 ))
( segid "PAH " and resid 342 and name HB% )
3.200 1.200 1.200 peak 1265 spectrum 1 weight 0.10000E+01 volume 0.96458E-03 ppm1 1.466 ppm2 3.790 CV 1
ASSI { 1266}
( segid "PAH " and resid 365 and name HD2%)
( segid "PAH " and resid 327 and name HB% )
2.300 0.600 0.600 peak 1266 spectrum 1 weight 0.10000E+01 volume 0.85074E-02 ppm1 1.529 ppm2 0.787 CV 1
OR { 1266}
( segid "PAH " and resid 365 and name HD1%)
( segid "PAH " and resid 327 and name HB% )
ASSI { 1270}
(( segid "PAH " and resid 358 and name HA ))
( segid "PAH " and resid 331 and name HG2%)
2.800 1.000 1.000 peak 1270 spectrum 1 weight 0.10000E+01 volume 0.24315E-02 ppm1 0.797 ppm2 3.439 CV 1
ASSI { 1271}
(( segid "PAH " and resid 314 and name HA ))
( segid "PAH " and resid 314 and name HG2%)
2.500 0.800 0.800 peak 1271 spectrum 1 weight 0.10000E+01 volume 0.47627E-02 ppm1 0.782 ppm2 3.160 CV 1
ASSI { 1272}
(( segid "PAH " and resid 361 and name HB1 ))
( segid "PAH " and resid 331 and name HG2%)
3.000 1.100 1.100 peak 1272 spectrum 1 weight 0.10000E+01 volume 0.18220E-02 ppm1 0.797 ppm2 2.095 CV 1
OR { 1272}
(( segid "PAH " and resid 361 and name HB2 ))
( segid "PAH " and resid 331 and name HG2%)
ASSI { 1273}
(( segid "PAH " and resid 331 and name HB ))
( segid "PAH " and resid 331 and name HG2%)
2.100 0.500 0.500 peak 1273 spectrum 1 weight 0.10000E+01 volume 0.11589E-01 ppm1 0.790 ppm2 1.815 CV 1
ASSI { 1276}
(( segid "PAH " and resid 314 and name HG12))
( segid "PAH " and resid 314 and name HG2%)
2.700 0.900 0.900 peak 1276 spectrum 1 weight 0.10000E+01 volume 0.21235E-02 ppm1 0.790 ppm2 0.344 CV 1
ASSI { 1277}
( segid "PAH " and resid 314 and name HD1%)
( segid "PAH " and resid 314 and name HG2%)
2.500 0.800 0.800 peak 1277 spectrum 1 weight 0.10000E+01 volume 0.40861E-02 ppm1 0.780 ppm2 0.073 CV 1
ASSI { 1279}
(( segid "PAH " and resid 360 and name HA ))
( segid "PAH " and resid 363 and name HB% )
2.400 0.700 0.700 peak 1279 spectrum 1 weight 0.10000E+01 volume 0.57674E-02 ppm1 1.240 ppm2 4.057 CV 1
ASSI { 1282}
( segid "PAH " and resid 373 and name HD1%)
( segid "PAH " and resid 363 and name HB% )
2.600 0.800 0.800 peak 1282 spectrum 1 weight 0.10000E+01 volume 0.42669E-02 ppm1 1.240 ppm2 0.956 CV 1
ASSI { 1286}
(( segid "PAH " and resid 308 and name HA ))
( segid "PAH " and resid 308 and name HG2%)
2.600 0.800 0.800 peak 1286 spectrum 1 weight 0.10000E+01 volume 0.33426E-02 ppm1 0.890 ppm2 3.484 CV 1
ASSI { 1289}
(( segid "PAH " and resid 308 and name HG12))
( segid "PAH " and resid 308 and name HG2%)
2.400 0.700 0.700 peak 1289 spectrum 1 weight 0.10000E+01 volume 0.50038E-02 ppm1 0.897 ppm2 0.663 CV 1
ASSI { 1290}
( segid "PAH " and resid 308 and name HD1%)
( segid "PAH " and resid 308 and name HG2%)
2.400 0.700 0.700 peak 1290 spectrum 1 weight 0.10000E+01 volume 0.47560E-02 ppm1 0.890 ppm2 0.500 CV 1
ASSI { 1293}
(( segid "PAH " and resid 361 and name HA ))
( segid "PAH " and resid 331 and name HD1%)
4.000 2.000 2.000 peak 1293 spectrum 1 weight 0.10000E+01 volume 0.52651E-03 ppm1 0.735 ppm2 3.977 CV 1
ASSI { 1294}
(( segid "PAH " and resid 365 and name HG ))
( segid "PAH " and resid 331 and name HD1%)
3.500 1.500 1.500 peak 1294 spectrum 1 weight 0.10000E+01 volume 0.75690E-03 ppm1 0.734 ppm2 1.669 CV 1
ASSI { 1296}
(( segid "PAH " and resid 365 and name HA ))
(( segid "PAH " and resid 364 and name HD2 ))
3.600 1.700 1.700 peak 1296 spectrum 1 weight 0.10000E+01 volume 0.31550E-03 ppm1 3.222 ppm2 3.982 CV 1
OR { 1296}
(( segid "PAH " and resid 365 and name HA ))
(( segid "PAH " and resid 364 and name HD1 ))
ASSI { 1297}
(( segid "PAH " and resid 315 and name HB2 ))
(( segid "PAH " and resid 315 and name HE2 ))
3.400 1.400 1.400 peak 1297 spectrum 1 weight 0.10000E+01 volume 0.15876E-02 ppm1 2.815 ppm2 1.357 CV 1
OR { 1297}
(( segid "PAH " and resid 315 and name HB2 ))
(( segid "PAH " and resid 315 and name HE1 ))
ASSI { 1298}
(( segid "PAH " and resid 315 and name HB1 ))
(( segid "PAH " and resid 315 and name HE2 ))
3.300 1.400 1.400 peak 1298 spectrum 1 weight 0.10000E+01 volume 0.16880E-02 ppm1 2.813 ppm2 1.616 CV 1
OR { 1298}
(( segid "PAH " and resid 315 and name HB1 ))
(( segid "PAH " and resid 315 and name HE1 ))
ASSI { 1301}
(( segid "PAH " and resid 344 and name HA ))
(( segid "PAH " and resid 344 and name HG2 ))
2.700 0.900 0.900 peak 1301 spectrum 1 weight 0.10000E+01 volume 0.38249E-02 ppm1 2.268 ppm2 4.173 CV 1
ASSI { 1303}
(( segid "PAH " and resid 373 and name HA ))
(( segid "PAH " and resid 376 and name HB1 ))
2.700 0.900 0.900 peak 1303 spectrum 1 weight 0.10000E+01 volume 0.24248E-02 ppm1 4.068 ppm2 4.390 CV 1
ASSI { 1307}
( segid "SID " and resid 15 and name HB% )
(( segid "PAH " and resid 308 and name HG12))
2.900 1.000 1.000 peak 1307 spectrum 1 weight 0.10000E+01 volume 0.15072E-02 ppm1 0.650 ppm2 1.301 CV 1
ASSI { 1313}
(( segid "PAH " and resid 351 and name HA ))
(( segid "PAH " and resid 351 and name HG2 ))
4.400 2.400 1.600 peak 1313 spectrum 1 weight 0.10000E+01 volume 0.31148E-03 ppm1 1.968 ppm2 4.402 CV 1
ASSI { 1315}
(( segid "PAH " and resid 335 and name HB1 ))
( segid "PAH " and resid 353 and name HD1%)
5.000 3.200 1.000 peak 1315 spectrum 1 weight 0.10000E+01 volume 0.14335E-03 ppm1 0.922 ppm2 3.263 CV 1
OR { 1315}
(( segid "PAH " and resid 335 and name HB1 ))
( segid "PAH " and resid 353 and name HD2%)
ASSI { 1319}
(( segid "PAH " and resid 381 and name HD2 ))
( segid "PAH " and resid 380 and name HD2%)
3.400 1.400 1.400 peak 1319 spectrum 1 weight 0.10000E+01 volume 0.94451E-03 ppm1 0.745 ppm2 3.674 CV 1
OR { 1319}
(( segid "PAH " and resid 381 and name HD1 ))
( segid "PAH " and resid 380 and name HD2%)
ASSI { 1320}
(( segid "PAH " and resid 310 and name HB1 ))
(( segid "PAH " and resid 307 and name HA ))
3.300 1.400 1.400 peak 1320 spectrum 1 weight 0.10000E+01 volume 0.65244E-03 ppm1 4.154 ppm2 3.383 CV 1
ASSI { 1323}
( segid "PAH " and resid 302 and name HG2%)
( segid "PAH " and resid 302 and name HG1%)
2.100 0.500 0.500 peak 1323 spectrum 1 weight 0.10000E+01 volume 0.15005E-01 ppm1 1.007 ppm2 0.930 CV 1
ASSI { 1324}
(( segid "SID " and resid 11 and name HG1 ))
( segid "PAH " and resid 307 and name HB% )
4.000 2.000 2.000 peak 1324 spectrum 1 weight 0.10000E+01 volume 0.26660E-03 ppm1 1.485 ppm2 2.901 CV 1
ASSI { 1332}
( segid "SID " and resid 15 and name HB% )
( segid "PAH " and resid 308 and name HG2%)
3.400 1.400 1.400 peak 1332 spectrum 1 weight 0.10000E+01 volume 0.16679E-02 ppm1 0.899 ppm2 1.302 CV 1
ASSI { 1333}
(( segid "PAH " and resid 308 and name HG11))
( segid "PAH " and resid 308 and name HG2%)
3.200 1.300 1.300 peak 1333 spectrum 1 weight 0.10000E+01 volume 0.24315E-02 ppm1 0.898 ppm2 1.219 CV 1
ASSI { 1335}
(( segid "SID " and resid 13 and name HA ))
( segid "PAH " and resid 329 and name HD2%)
3.900 1.900 1.900 peak 1335 spectrum 1 weight 0.10000E+01 volume 0.31684E-03 ppm1 0.599 ppm2 3.987 CV 1
ASSI { 1337}
(( segid "PAH " and resid 329 and name HA ))
( segid "PAH " and resid 329 and name HD1%)
4.200 2.200 1.800 peak 1337 spectrum 1 weight 0.10000E+01 volume 0.57674E-03 ppm1 0.630 ppm2 3.464 CV 1
ASSI { 1345}
( segid "PAH " and resid 362 and name HG1%)
(( segid "PAH " and resid 361 and name HB1 ))
4.100 2.100 1.900 peak 1345 spectrum 1 weight 0.10000E+01 volume 0.52450E-03 ppm1 2.069 ppm2 0.515 CV 1
OR { 1345}
( segid "PAH " and resid 362 and name HG1%)
(( segid "PAH " and resid 361 and name HB2 ))
ASSI { 1352}
( segid "PAH " and resid 380 and name HD1%)
(( segid "PAH " and resid 377 and name HA2 ))
3.800 1.800 1.800 peak 1352 spectrum 1 weight 0.10000E+01 volume 0.34363E-03 ppm1 3.748 ppm2 0.797 CV 1
OR { 1352}
( segid "PAH " and resid 380 and name HD2%)
(( segid "PAH " and resid 377 and name HA2 ))
ASSI { 1353}
(( segid "PAH " and resid 380 and name HB2 ))
(( segid "PAH " and resid 377 and name HA2 ))
3.100 1.200 1.200 peak 1353 spectrum 1 weight 0.10000E+01 volume 0.91774E-03 ppm1 3.746 ppm2 1.343 CV 1
OR { 1353}
(( segid "PAH " and resid 380 and name HG ))
(( segid "PAH " and resid 377 and name HA2 ))
ASSI { 1356}
(( segid "PAH " and resid 377 and name HA2 ))
(( segid "PAH " and resid 380 and name HG ))
3.800 1.800 1.800 peak 1356 spectrum 1 weight 0.10000E+01 volume 0.34096E-03 ppm1 1.362 ppm2 3.774 CV 1
ASSI { 1357}
(( segid "PAH " and resid 380 and name HA ))
(( segid "PAH " and resid 380 and name HG ))
3.800 1.800 1.800 peak 1357 spectrum 1 weight 0.10000E+01 volume 0.35100E-03 ppm1 1.371 ppm2 4.626 CV 1
ASSI { 1358}
(( segid "PAH " and resid 380 and name HB1 ))
(( segid "PAH " and resid 380 and name HG ))
2.300 0.700 0.700 peak 1358 spectrum 1 weight 0.10000E+01 volume 0.81720E-02 ppm1 1.376 ppm2 1.526 CV 1
ASSI { 1362}
( segid "PAH " and resid 332 and name HD2%)
( segid "PAH " and resid 358 and name HG2%)
3.500 1.500 1.500 peak 1362 spectrum 1 weight 0.10000E+01 volume 0.70335E-03 ppm1 0.750 ppm2 0.397 CV 1
ASSI { 1364}
( segid "SID " and resid 9 and name HG2%)
( segid "PAH " and resid 358 and name HG2%)
3.400 1.400 1.400 peak 1364 spectrum 1 weight 0.10000E+01 volume 0.17416E-02 ppm1 0.745 ppm2 1.018 CV 1
ASSI { 1372}
(( segid "SID " and resid 8 and name HB2 ))
( segid "PAH " and resid 380 and name HD2%)
3.100 1.200 1.200 peak 1372 spectrum 1 weight 0.10000E+01 volume 0.13665E-02 ppm1 0.769 ppm2 3.003 CV 1
ASSI { 1379}
( segid "PAH " and resid 372 and name HD2%)
(( segid "PAH " and resid 369 and name HG2 ))
3.400 1.500 1.500 peak 1379 spectrum 1 weight 0.10000E+01 volume 0.45818E-03 ppm1 2.262 ppm2 0.225 CV 1
ASSI { 1382}
(( segid "PAH " and resid 369 and name HB2 ))
(( segid "PAH " and resid 366 and name HA ))
3.400 1.400 1.400 peak 1382 spectrum 1 weight 0.10000E+01 volume 0.82390E-03 ppm1 4.920 ppm2 1.806 CV 1
ASSI { 1384}
(( segid "PAH " and resid 353 and name HB1 ))
(( segid "PAH " and resid 335 and name HA ))
3.800 1.800 1.800 peak 1384 spectrum 1 weight 0.10000E+01 volume 0.39186E-03 ppm1 4.082 ppm2 1.680 CV 1
OR { 1384}
(( segid "PAH " and resid 353 and name HG ))
(( segid "PAH " and resid 335 and name HA ))
ASSI { 1385}
(( segid "PAH " and resid 338 and name HG2 ))
( segid "PAH " and resid 334 and name HG2%)
3.300 1.400 1.400 peak 1385 spectrum 1 weight 0.10000E+01 volume 0.81051E-03 ppm1 1.288 ppm2 2.431 CV 1
ASSI { 1}
( segid "PAH " and resid 366 and name HD% )
( segid "PAH " and resid 324 and name HG2%)
3.300 1.400 1.400 peak 1 spectrum 1 weight 0.10000E+01 volume 0.10973E-02 ppm1 -0.001 ppm2 -1.380 CV 1
ASSI { 3}
( segid "PAH " and resid 318 and name HE% )
( segid "PAH " and resid 324 and name HG2%)
2.800 1.000 1.000 peak 3 spectrum 1 weight 0.10000E+01 volume 0.26245E-02 ppm1 -0.004 ppm2 -1.087 CV 1
OR { 3}
(( segid "PAH " and resid 318 and name HZ ))
( segid "PAH " and resid 324 and name HG2%)
ASSI { 4}
( segid "PAH " and resid 318 and name HD% )
( segid "PAH " and resid 324 and name HG2%)
3.300 1.300 1.300 peak 4 spectrum 1 weight 0.10000E+01 volume 0.10203E-02 ppm1 0.000 ppm2 -0.698 CV 1
ASSI { 5}
( segid "PAH " and resid 328 and name HD% )
( segid "PAH " and resid 331 and name HD1%)
3.600 1.600 1.600 peak 5 spectrum 1 weight 0.10000E+01 volume 0.55314E-03 ppm1 0.741 ppm2 -1.180 CV 1
ASSI { 6}
( segid "PAH " and resid 366 and name HE% )
( segid "PAH " and resid 314 and name HD1%)
3.100 1.200 1.200 peak 6 spectrum 1 weight 0.10000E+01 volume 0.16363E-02 ppm1 0.065 ppm2 -1.310 CV 1
ASSI { 7}
( segid "PAH " and resid 310 and name HE% )
( segid "PAH " and resid 314 and name HD1%)
2.400 0.700 0.700 peak 7 spectrum 1 weight 0.10000E+01 volume 0.47421E-02 ppm1 0.063 ppm2 -1.217 CV 1
ASSI { 8}
( segid "PAH " and resid 328 and name HE% )
( segid "PAH " and resid 314 and name HD1%)
2.800 1.000 1.000 peak 8 spectrum 1 weight 0.10000E+01 volume 0.23486E-02 ppm1 0.064 ppm2 -1.103 CV 1
ASSI { 9}
(( segid "PAH " and resid 328 and name HZ ))
( segid "PAH " and resid 314 and name HD1%)
3.300 1.400 1.400 peak 9 spectrum 1 weight 0.10000E+01 volume 0.94967E-03 ppm1 0.061 ppm2 -0.826 CV 1
ASSI { 10}
( segid "PAH " and resid 325 and name HD% )
( segid "PAH " and resid 314 and name HD1%)
3.800 1.800 1.800 peak 10 spectrum 1 weight 0.10000E+01 volume 0.77647E-03 ppm1 0.067 ppm2 -0.948 CV 1
ASSI { 11}
( segid "PAH " and resid 310 and name HD% )
( segid "PAH " and resid 314 and name HD1%)
3.100 1.200 1.200 peak 11 spectrum 1 weight 0.10000E+01 volume 0.12577E-02 ppm1 0.065 ppm2 -1.027 CV 1
ASSI { 13}
( segid "SID " and resid 18 and name HE% )
( segid "PAH " and resid 308 and name HD1%)
3.300 1.300 1.300 peak 13 spectrum 1 weight 0.10000E+01 volume 0.91759E-03 ppm1 0.490 ppm2 -1.099 CV 1
ASSI { 14}
( segid "PAH " and resid 304 and name HE% )
( segid "PAH " and resid 308 and name HD1%)
3.200 1.300 1.300 peak 14 spectrum 1 weight 0.10000E+01 volume 0.10010E-02 ppm1 0.490 ppm2 -0.956 CV 1
ASSI { 16}
( segid "PAH " and resid 335 and name HD% )
(( segid "PAH " and resid 353 and name HB1 ))
3.500 1.500 1.500 peak 16 spectrum 1 weight 0.10000E+01 volume 0.51143E-03 ppm1 1.684 ppm2 -1.046 CV 1
ASSI { 17}
( segid "PAH " and resid 335 and name HD% )
(( segid "PAH " and resid 353 and name HB2 ))
5.200 3.400 0.800 peak 17 spectrum 1 weight 0.10000E+01 volume 0.84063E-04 ppm1 1.584 ppm2 -1.048 CV 1
ASSI { 18}
( segid "PAH " and resid 318 and name HE% )
( segid "PAH " and resid 324 and name HD1%)
3.200 1.300 1.300 peak 18 spectrum 1 weight 0.10000E+01 volume 0.13732E-02 ppm1 0.769 ppm2 -1.086 CV 1
ASSI { 19}
( segid "PAH " and resid 318 and name HD% )
( segid "PAH " and resid 324 and name HD1%)
3.400 1.400 1.400 peak 19 spectrum 1 weight 0.10000E+01 volume 0.12513E-02 ppm1 0.775 ppm2 -0.700 CV 1
ASSI { 20}
( segid "PAH " and resid 366 and name HE% )
(( segid "PAH " and resid 365 and name HB1 ))
3.500 1.600 1.600 peak 20 spectrum 1 weight 0.10000E+01 volume 0.57560E-03 ppm1 1.519 ppm2 -1.347 CV 1
ASSI { 22}
( segid "PAH " and resid 325 and name HE% )
(( segid "PAH " and resid 315 and name HE2 ))
3.000 1.100 1.100 peak 22 spectrum 1 weight 0.10000E+01 volume 0.94967E-03 ppm1 2.818 ppm2 -1.256 CV 1
OR { 22}
( segid "PAH " and resid 325 and name HE% )
(( segid "PAH " and resid 315 and name HE1 ))
ASSI { 24}
( segid "PAH " and resid 366 and name HE% )
(( segid "PAH " and resid 372 and name HB2 ))
4.100 2.100 1.900 peak 24 spectrum 1 weight 0.10000E+01 volume 0.38694E-03 ppm1 0.979 ppm2 -1.327 CV 1
ASSI { 26}
( segid "PAH " and resid 366 and name HD% )
(( segid "PAH " and resid 372 and name HB2 ))
3.900 1.900 1.900 peak 26 spectrum 1 weight 0.10000E+01 volume 0.31636E-03 ppm1 0.978 ppm2 -1.389 CV 1
ASSI { 27}
( segid "PAH " and resid 349 and name HD% )
(( segid "PAH " and resid 349 and name HB1 ))
2.500 0.800 0.800 peak 27 spectrum 1 weight 0.10000E+01 volume 0.38180E-02 ppm1 2.969 ppm2 -1.064 CV 1
ASSI { 29}
( segid "PAH " and resid 349 and name HE% )
(( segid "PAH " and resid 349 and name HB2 ))
4.600 2.600 1.400 peak 29 spectrum 1 weight 0.10000E+01 volume 0.35678E-03 ppm1 2.799 ppm2 -1.175 CV 1
ASSI { 31}
( segid "PAH " and resid 304 and name HD% )
(( segid "PAH " and resid 304 and name HB1 ))
2.900 1.000 1.000 peak 31 spectrum 1 weight 0.10000E+01 volume 0.16492E-02 ppm1 3.236 ppm2 -0.842 CV 1
ASSI { 33}
( segid "PAH " and resid 376 and name HD% )
(( segid "PAH " and resid 376 and name HB1 ))
2.700 0.900 0.900 peak 33 spectrum 1 weight 0.10000E+01 volume 0.25411E-02 ppm1 4.079 ppm2 -0.612 CV 1
ASSI { 35}
( segid "PAH " and resid 379 and name HD% )
(( segid "PAH " and resid 379 and name HB1 ))
2.800 0.900 0.900 peak 35 spectrum 1 weight 0.10000E+01 volume 0.23807E-02 ppm1 2.875 ppm2 -0.787 CV 1
ASSI { 36}
( segid "PAH " and resid 379 and name HD% )
(( segid "PAH " and resid 379 and name HB2 ))
2.800 0.900 0.900 peak 36 spectrum 1 weight 0.10000E+01 volume 0.20277E-02 ppm1 2.566 ppm2 -0.782 CV 1
ASSI { 40}
( segid "PAH " and resid 325 and name HD% )
(( segid "PAH " and resid 325 and name HB2 ))
2.600 0.800 0.800 peak 40 spectrum 1 weight 0.10000E+01 volume 0.35485E-02 ppm1 3.113 ppm2 -0.947 CV 1
OR { 40}
( segid "PAH " and resid 325 and name HD% )
(( segid "PAH " and resid 325 and name HB1 ))
ASSI { 42}
( segid "PAH " and resid 328 and name HD% )
(( segid "PAH " and resid 328 and name HB1 ))
2.500 0.800 0.800 peak 42 spectrum 1 weight 0.10000E+01 volume 0.32534E-02 ppm1 3.455 ppm2 -1.177 CV 1
ASSI { 43}
( segid "PAH " and resid 328 and name HD% )
(( segid "PAH " and resid 328 and name HB2 ))
2.600 0.900 0.900 peak 43 spectrum 1 weight 0.10000E+01 volume 0.36961E-02 ppm1 3.012 ppm2 -1.183 CV 1
ASSI { 46}
( segid "PAH " and resid 325 and name HE% )
(( segid "PAH " and resid 325 and name HB1 ))
4.100 2.100 1.900 peak 46 spectrum 1 weight 0.10000E+01 volume 0.62373E-03 ppm1 3.170 ppm2 -1.251 CV 1
ASSI { 47}
( segid "PAH " and resid 325 and name HE% )
(( segid "PAH " and resid 325 and name HB2 ))
4.200 2.200 1.800 peak 47 spectrum 1 weight 0.10000E+01 volume 0.14053E-03 ppm1 3.101 ppm2 -1.249 CV 1
ASSI { 49}
( segid "PAH " and resid 318 and name HD% )
(( segid "PAH " and resid 318 and name HB1 ))
2.800 1.000 1.000 peak 49 spectrum 1 weight 0.10000E+01 volume 0.22331E-02 ppm1 3.889 ppm2 -0.703 CV 1
ASSI { 54}
( segid "PAH " and resid 349 and name HE% )
(( segid "PAH " and resid 341 and name HB1 ))
3.600 1.600 1.600 peak 54 spectrum 1 weight 0.10000E+01 volume 0.49282E-03 ppm1 2.738 ppm2 -1.171 CV 1
ASSI { 58}
( segid "PAH " and resid 366 and name HD% )
(( segid "PAH " and resid 366 and name HB1 ))
3.100 1.200 1.200 peak 58 spectrum 1 weight 0.10000E+01 volume 0.16427E-02 ppm1 3.735 ppm2 -1.387 CV 1
ASSI { 59}
( segid "PAH " and resid 310 and name HE% )
(( segid "PAH " and resid 375 and name HG1 ))
3.300 1.400 1.400 peak 59 spectrum 1 weight 0.10000E+01 volume 0.11550E-02 ppm1 2.377 ppm2 -1.218 CV 1
ASSI { 60}
( segid "PAH " and resid 310 and name HE% )
(( segid "PAH " and resid 375 and name HG2 ))
3.600 1.600 1.600 peak 60 spectrum 1 weight 0.10000E+01 volume 0.84063E-03 ppm1 1.941 ppm2 -1.212 CV 1
ASSI { 62}
( segid "PAH " and resid 335 and name HE% )
(( segid "PAH " and resid 339 and name HG1 ))
3.100 1.200 1.200 peak 62 spectrum 1 weight 0.10000E+01 volume 0.12769E-02 ppm1 1.919 ppm2 -1.251 CV 1
OR { 62}
( segid "PAH " and resid 335 and name HE% )
(( segid "PAH " and resid 339 and name HG2 ))
ASSI { 63}
( segid "PAH " and resid 349 and name HE% )
(( segid "PAH " and resid 351 and name HB2 ))
4.300 2.300 1.700 peak 63 spectrum 1 weight 0.10000E+01 volume 0.68019E-03 ppm1 1.900 ppm2 -1.171 CV 1
ASSI { 66}
( segid "PAH " and resid 325 and name HE% )
(( segid "PAH " and resid 315 and name HB2 ))
3.100 1.200 1.200 peak 66 spectrum 1 weight 0.10000E+01 volume 0.86631E-03 ppm1 1.351 ppm2 -1.253 CV 1
ASSI { 68}
( segid "PAH " and resid 359 and name HD% )
(( segid "PAH " and resid 359 and name HA ))
2.600 0.900 0.900 peak 68 spectrum 1 weight 0.10000E+01 volume 0.35935E-02 ppm1 3.887 ppm2 -0.897 CV 1
ASSI { 69}
(( segid "PAH " and resid 318 and name HZ ))
(( segid "PAH " and resid 369 and name HG1 ))
3.200 1.300 1.300 peak 69 spectrum 1 weight 0.10000E+01 volume 0.10460E-02 ppm1 2.439 ppm2 -1.100 CV 1
OR { 69}
( segid "PAH " and resid 318 and name HE% )
(( segid "PAH " and resid 369 and name HG1 ))
ASSI { 70}
(( segid "PAH " and resid 318 and name HZ ))
(( segid "PAH " and resid 369 and name HG2 ))
3.300 1.400 1.400 peak 70 spectrum 1 weight 0.10000E+01 volume 0.10909E-02 ppm1 2.272 ppm2 -1.100 CV 1
OR { 70}
( segid "PAH " and resid 318 and name HE% )
(( segid "PAH " and resid 369 and name HG2 ))
ASSI { 71}
( segid "PAH " and resid 359 and name HE% )
(( segid "PAH " and resid 359 and name HA ))
3.600 1.600 1.600 peak 71 spectrum 1 weight 0.10000E+01 volume 0.96895E-03 ppm1 3.891 ppm2 -1.141 CV 1
ASSI { 72}
( segid "PAH " and resid 349 and name HD% )
(( segid "PAH " and resid 351 and name HA ))
3.700 1.700 1.700 peak 72 spectrum 1 weight 0.10000E+01 volume 0.57945E-03 ppm1 4.390 ppm2 -1.065 CV 1
ASSI { 73}
( segid "PAH " and resid 318 and name HD% )
(( segid "PAH " and resid 321 and name HB2 ))
3.300 1.300 1.300 peak 73 spectrum 1 weight 0.10000E+01 volume 0.80215E-03 ppm1 2.183 ppm2 -0.706 CV 1
ASSI { 74}
( segid "PAH " and resid 318 and name HD% )
(( segid "PAH " and resid 321 and name HB1 ))
3.900 1.900 1.900 peak 74 spectrum 1 weight 0.10000E+01 volume 0.45047E-03 ppm1 2.382 ppm2 -0.697 CV 1
ASSI { 79}
( segid "PAH " and resid 310 and name HE% )
(( segid "PAH " and resid 313 and name HD2 ))
3.800 1.800 1.800 peak 79 spectrum 1 weight 0.10000E+01 volume 0.41967E-03 ppm1 1.700 ppm2 -1.206 CV 1
OR { 79}
( segid "PAH " and resid 310 and name HE% )
(( segid "PAH " and resid 313 and name HD1 ))
ASSI { 80}
( segid "PAH " and resid 310 and name HD% )
(( segid "PAH " and resid 313 and name HD2 ))
3.200 1.300 1.300 peak 80 spectrum 1 weight 0.10000E+01 volume 0.10010E-02 ppm1 1.691 ppm2 -1.043 CV 1
OR { 80}
( segid "PAH " and resid 310 and name HD% )
(( segid "PAH " and resid 313 and name HD1 ))
ASSI { 83}
( segid "PAH " and resid 379 and name HD% )
(( segid "PAH " and resid 376 and name HA ))
2.600 0.900 0.900 peak 83 spectrum 1 weight 0.10000E+01 volume 0.29261E-02 ppm1 4.368 ppm2 -0.784 CV 1
ASSI { 85}
( segid "PAH " and resid 310 and name HD% )
(( segid "PAH " and resid 310 and name HA ))
2.400 0.700 0.700 peak 85 spectrum 1 weight 0.10000E+01 volume 0.48063E-02 ppm1 4.451 ppm2 -1.049 CV 1
ASSI { 87}
( segid "PAH " and resid 325 and name HE% )
(( segid "PAH " and resid 325 and name HA ))
3.900 1.900 1.900 peak 87 spectrum 1 weight 0.10000E+01 volume 0.85983E-03 ppm1 4.189 ppm2 -1.255 CV 1
ASSI { 88}
( segid "PAH " and resid 328 and name HD% )
(( segid "PAH " and resid 325 and name HA ))
3.700 1.700 1.700 peak 88 spectrum 1 weight 0.10000E+01 volume 0.77647E-03 ppm1 4.189 ppm2 -1.183 CV 1
ASSI { 89}
( segid "PAH " and resid 304 and name HD% )
(( segid "PAH " and resid 304 and name HA ))
2.900 1.000 1.000 peak 89 spectrum 1 weight 0.10000E+01 volume 0.20470E-02 ppm1 4.483 ppm2 -0.846 CV 1
ASSI { 90}
( segid "PAH " and resid 328 and name HD% )
(( segid "PAH " and resid 328 and name HA ))
2.700 0.900 0.900 peak 90 spectrum 1 weight 0.10000E+01 volume 0.28299E-02 ppm1 3.889 ppm2 -1.178 CV 1
ASSI { 94}
( segid "PAH " and resid 325 and name HE% )
(( segid "PAH " and resid 315 and name HA ))
4.300 2.300 1.700 peak 94 spectrum 1 weight 0.10000E+01 volume 0.26438E-03 ppm1 3.162 ppm2 -1.259 CV 1
ASSI { 95}
( segid "PAH " and resid 325 and name HD% )
(( segid "PAH " and resid 315 and name HA ))
3.000 1.200 1.200 peak 95 spectrum 1 weight 0.10000E+01 volume 0.14181E-02 ppm1 3.165 ppm2 -0.943 CV 1
ASSI { 98}
( segid "PAH " and resid 379 and name HD% )
(( segid "PAH " and resid 379 and name HA ))
3.000 1.200 1.200 peak 98 spectrum 1 weight 0.10000E+01 volume 0.14759E-02 ppm1 4.132 ppm2 -0.787 CV 1
ASSI { 102}
(( segid "PAH " and resid 306 and name HD2 ))
(( segid "PAH " and resid 306 and name HA ))
3.300 1.300 1.300 peak 102 spectrum 1 weight 0.10000E+01 volume 0.11229E-02 ppm1 4.654 ppm2 -0.619 CV 1
ASSI { 104}
( segid "PAH " and resid 318 and name HD% )
(( segid "PAH " and resid 318 and name HA ))
2.700 0.900 0.900 peak 104 spectrum 1 weight 0.10000E+01 volume 0.34588E-02 ppm1 4.903 ppm2 -0.703 CV 1
ASSI { 105}
( segid "PAH " and resid 318 and name HE% )
( segid "PAH " and resid 372 and name HD2%)
2.600 0.800 0.800 peak 105 spectrum 1 weight 0.10000E+01 volume 0.34588E-02 ppm1 0.220 ppm2 -1.081 CV 1
ASSI { 106}
( segid "PAH " and resid 376 and name HE% )
( segid "PAH " and resid 380 and name HD1%)
2.900 1.100 1.100 peak 106 spectrum 1 weight 0.10000E+01 volume 0.18096E-02 ppm1 0.797 ppm2 -0.892 CV 1
ASSI { 107}
(( segid "PAH " and resid 328 and name HZ ))
( segid "PAH " and resid 332 and name HD2%)
3.200 1.300 1.300 peak 107 spectrum 1 weight 0.10000E+01 volume 0.12128E-02 ppm1 0.393 ppm2 -0.820 CV 1
ASSI { 108}
( segid "PAH " and resid 376 and name HE% )
( segid "PAH " and resid 332 and name HD2%)
3.500 1.500 1.500 peak 108 spectrum 1 weight 0.10000E+01 volume 0.53196E-03 ppm1 0.392 ppm2 -0.905 CV 1
ASSI { 109}
( segid "PAH " and resid 335 and name HD% )
( segid "PAH " and resid 332 and name HD2%)
4.000 2.000 2.000 peak 109 spectrum 1 weight 0.10000E+01 volume 0.68019E-03 ppm1 0.393 ppm2 -1.016 CV 1
ASSI { 110}
( segid "PAH " and resid 328 and name HE% )
( segid "PAH " and resid 332 and name HD2%)
3.100 1.200 1.200 peak 110 spectrum 1 weight 0.10000E+01 volume 0.14502E-02 ppm1 0.386 ppm2 -1.100 CV 1
ASSI { 111}
(( segid "PAH " and resid 376 and name HZ ))
( segid "PAH " and resid 332 and name HD2%)
3.200 1.300 1.300 peak 111 spectrum 1 weight 0.10000E+01 volume 0.10460E-02 ppm1 0.389 ppm2 -1.178 CV 1
ASSI { 112}
( segid "PAH " and resid 366 and name HE% )
( segid "PAH " and resid 372 and name HD2%)
3.300 1.400 1.400 peak 112 spectrum 1 weight 0.10000E+01 volume 0.80215E-03 ppm1 0.219 ppm2 -1.323 CV 1
ASSI { 113}
(( segid "PAH " and resid 376 and name HZ ))
( segid "PAH " and resid 380 and name HD1%)
3.300 1.300 1.300 peak 113 spectrum 1 weight 0.10000E+01 volume 0.12769E-02 ppm1 0.796 ppm2 -1.158 CV 1
ASSI { 114}
( segid "PAH " and resid 325 and name HE% )
( segid "PAH " and resid 329 and name HD1%)
2.800 1.000 1.000 peak 114 spectrum 1 weight 0.10000E+01 volume 0.22074E-02 ppm1 0.631 ppm2 -1.254 CV 1
ASSI { 115}
( segid "PAH " and resid 328 and name HD% )
( segid "PAH " and resid 329 and name HD1%)
4.700 2.800 1.300 peak 115 spectrum 1 weight 0.10000E+01 volume 0.26309E-03 ppm1 0.631 ppm2 -1.173 CV 1
ASSI { 117}
( segid "PAH " and resid 335 and name HD% )
( segid "PAH " and resid 353 and name HD2%)
3.500 1.500 1.500 peak 117 spectrum 1 weight 0.10000E+01 volume 0.77647E-03 ppm1 0.928 ppm2 -1.048 CV 1
ASSI { 118}
( segid "PAH " and resid 366 and name HD% )
( segid "PAH " and resid 373 and name HD1%)
3.400 1.500 1.500 peak 118 spectrum 1 weight 0.10000E+01 volume 0.85983E-03 ppm1 0.946 ppm2 -1.385 CV 1
ASSI { 119}
( segid "PAH " and resid 359 and name HE% )
( segid "PAH " and resid 373 and name HD1%)
3.200 1.300 1.300 peak 119 spectrum 1 weight 0.10000E+01 volume 0.11358E-02 ppm1 0.948 ppm2 -1.135 CV 1
ASSI { 120}
( segid "PAH " and resid 325 and name HE% )
(( segid "PAH " and resid 315 and name HG1 ))
3.500 1.500 1.500 peak 120 spectrum 1 weight 0.10000E+01 volume 0.56469E-03 ppm1 0.700 ppm2 -1.246 CV 1
ASSI { 122}
( segid "PAH " and resid 359 and name HD% )
( segid "PAH " and resid 373 and name HD1%)
3.500 1.500 1.500 peak 122 spectrum 1 weight 0.10000E+01 volume 0.69302E-03 ppm1 0.950 ppm2 -0.876 CV 1
ASSI { 123}
( segid "PAH " and resid 325 and name HE% )
( segid "PAH " and resid 311 and name HG1%)
3.200 1.200 1.200 peak 123 spectrum 1 weight 0.10000E+01 volume 0.10267E-02 ppm1 1.224 ppm2 -1.241 CV 1
ASSI { 125}
( segid "PAH " and resid 335 and name HE% )
( segid "PAH " and resid 380 and name HD2%)
3.400 1.400 1.400 peak 125 spectrum 1 weight 0.10000E+01 volume 0.99463E-03 ppm1 0.750 ppm2 -1.239 CV 1
ASSI { 126}
(( segid "PAH " and resid 376 and name HZ ))
( segid "PAH " and resid 380 and name HD2%)
3.300 1.400 1.400 peak 126 spectrum 1 weight 0.10000E+01 volume 0.10395E-02 ppm1 0.751 ppm2 -1.182 CV 1
ASSI { 127}
( segid "PAH " and resid 376 and name HE% )
( segid "PAH " and resid 380 and name HD2%)
2.800 1.000 1.000 peak 127 spectrum 1 weight 0.10000E+01 volume 0.24064E-02 ppm1 0.751 ppm2 -0.901 CV 1
ASSI { 128}
( segid "PAH " and resid 376 and name HD% )
( segid "PAH " and resid 380 and name HD2%)
3.900 1.900 1.900 peak 128 spectrum 1 weight 0.10000E+01 volume 0.44919E-03 ppm1 0.753 ppm2 -0.612 CV 1
ASSI { 132}
( segid "PAH " and resid 376 and name HE% )
( segid "PAH " and resid 358 and name HG1%)
3.200 1.300 1.300 peak 132 spectrum 1 weight 0.10000E+01 volume 0.10395E-02 ppm1 0.815 ppm2 -0.890 CV 1
ASSI { 133}
( segid "PAH " and resid 335 and name HD% )
( segid "PAH " and resid 358 and name HG1%)
3.000 1.200 1.200 peak 133 spectrum 1 weight 0.10000E+01 volume 0.34010E-02 ppm1 0.829 ppm2 -1.048 CV 1
ASSI { 136}
( segid "PAH " and resid 366 and name HD% )
( segid "PAH " and resid 373 and name HD2%)
3.000 1.100 1.100 peak 136 spectrum 1 weight 0.10000E+01 volume 0.17518E-02 ppm1 0.817 ppm2 -1.386 CV 1
ASSI { 138}
( segid "PAH " and resid 366 and name HE% )
( segid "PAH " and resid 373 and name HD2%)
3.300 1.400 1.400 peak 138 spectrum 1 weight 0.10000E+01 volume 0.13797E-02 ppm1 0.771 ppm2 -1.337 CV 1
ASSI { 139}
( segid "PAH " and resid 366 and name HE% )
( segid "PAH " and resid 362 and name HG1%)
3.300 1.400 1.400 peak 139 spectrum 1 weight 0.10000E+01 volume 0.69945E-03 ppm1 0.505 ppm2 -1.311 CV 1
ASSI { 140}
( segid "PAH " and resid 328 and name HE% )
( segid "PAH " and resid 362 and name HG1%)
2.500 0.800 0.800 peak 140 spectrum 1 weight 0.10000E+01 volume 0.39079E-02 ppm1 0.504 ppm2 -1.103 CV 1
ASSI { 141}
( segid "PAH " and resid 328 and name HD% )
( segid "PAH " and resid 362 and name HG1%)
2.400 0.700 0.700 peak 141 spectrum 1 weight 0.10000E+01 volume 0.62758E-02 ppm1 0.502 ppm2 -1.181 CV 1
ASSI { 144}
( segid "PAH " and resid 379 and name HE% )
(( segid "PAH " and resid 307 and name HA ))
3.700 1.700 1.700 peak 144 spectrum 1 weight 0.10000E+01 volume 0.56019E-03 ppm1 4.156 ppm2 -1.202 CV 1
ASSI { 145}
( segid "PAH " and resid 359 and name HD% )
(( segid "PAH " and resid 360 and name HA ))
3.400 1.500 1.500 peak 145 spectrum 1 weight 0.10000E+01 volume 0.74439E-03 ppm1 4.046 ppm2 -0.886 CV 1
ASSI { 148}
( segid "PAH " and resid 366 and name HD% )
( segid "PAH " and resid 372 and name HD1%)
3.900 1.900 1.900 peak 148 spectrum 1 weight 0.10000E+01 volume 0.59292E-03 ppm1 0.543 ppm2 -1.388 CV 1
ASSI { 149}
( segid "PAH " and resid 310 and name HE% )
( segid "PAH " and resid 372 and name HD1%)
2.800 1.000 1.000 peak 149 spectrum 1 weight 0.10000E+01 volume 0.49667E-02 ppm1 0.545 ppm2 -1.216 CV 1
ASSI { 150}
( segid "PAH " and resid 328 and name HD% )
( segid "PAH " and resid 332 and name HD1%)
2.600 0.800 0.800 peak 150 spectrum 1 weight 0.10000E+01 volume 0.43827E-02 ppm1 0.556 ppm2 -1.178 CV 1
ASSI { 151}
( segid "PAH " and resid 325 and name HE% )
( segid "PAH " and resid 329 and name HD2%)
3.000 1.100 1.100 peak 151 spectrum 1 weight 0.10000E+01 volume 0.19251E-02 ppm1 0.608 ppm2 -1.249 CV 1
ASSI { 152}
( segid "PAH " and resid 328 and name HD% )
( segid "PAH " and resid 329 and name HD2%)
2.700 0.900 0.900 peak 152 spectrum 1 weight 0.10000E+01 volume 0.29132E-02 ppm1 0.609 ppm2 -1.177 CV 1
ASSI { 153}
( segid "PAH " and resid 328 and name HE% )
( segid "PAH " and resid 329 and name HD2%)
3.000 1.200 1.200 peak 153 spectrum 1 weight 0.10000E+01 volume 0.17775E-02 ppm1 0.610 ppm2 -1.098 CV 1
ASSI { 155}
(( segid "PAH " and resid 328 and name HZ ))
( segid "PAH " and resid 332 and name HD1%)
3.300 1.300 1.300 peak 155 spectrum 1 weight 0.10000E+01 volume 0.94327E-03 ppm1 0.558 ppm2 -0.813 CV 1
ASSI { 156}
( segid "PAH " and resid 376 and name HE% )
( segid "PAH " and resid 358 and name HG2%)
2.700 0.900 0.900 peak 156 spectrum 1 weight 0.10000E+01 volume 0.18032E-02 ppm1 0.755 ppm2 -0.905 CV 1
ASSI { 157}
( segid "PAH " and resid 335 and name HD% )
( segid "PAH " and resid 358 and name HG2%)
3.100 1.200 1.200 peak 157 spectrum 1 weight 0.10000E+01 volume 0.10845E-02 ppm1 0.756 ppm2 -1.046 CV 1
ASSI { 158}
(( segid "PAH " and resid 376 and name HZ ))
( segid "PAH " and resid 358 and name HG2%)
2.500 0.800 0.800 peak 158 spectrum 1 weight 0.10000E+01 volume 0.33496E-02 ppm1 0.756 ppm2 -1.183 CV 1
ASSI { 159}
( segid "PAH " and resid 366 and name HD% )
(( segid "PAH " and resid 366 and name HA ))
2.400 0.700 0.700 peak 159 spectrum 1 weight 0.10000E+01 volume 0.48255E-02 ppm1 4.930 ppm2 -1.385 CV 1
ASSI { 160}
(( segid "PAH " and resid 318 and name HZ ))
(( segid "PAH " and resid 366 and name HA ))
3.300 1.300 1.300 peak 160 spectrum 1 weight 0.10000E+01 volume 0.12833E-02 ppm1 4.929 ppm2 -1.120 CV 1
ASSI { 161}
( segid "PAH " and resid 366 and name HD% )
( segid "PAH " and resid 362 and name HG2%)
3.900 1.900 1.900 peak 161 spectrum 1 weight 0.10000E+01 volume 0.13347E-02 ppm1 -0.331 ppm2 -1.382 CV 1
ASSI { 162}
( segid "PAH " and resid 366 and name HE% )
( segid "PAH " and resid 362 and name HG2%)
3.700 1.700 1.700 peak 162 spectrum 1 weight 0.10000E+01 volume 0.10652E-02 ppm1 -0.330 ppm2 -1.315 CV 1
ASSI { 164}
( segid "PAH " and resid 328 and name HE% )
( segid "PAH " and resid 362 and name HG2%)
3.000 1.100 1.100 peak 164 spectrum 1 weight 0.10000E+01 volume 0.14952E-02 ppm1 -0.331 ppm2 -1.105 CV 1
ASSI { 165}
( segid "PAH " and resid 349 and name HE% )
( segid "PAH " and resid 345 and name HB% )
3.200 1.300 1.300 peak 165 spectrum 1 weight 0.10000E+01 volume 0.61282E-03 ppm1 1.442 ppm2 -1.163 CV 1
ASSI { 166}
( segid "PAH " and resid 349 and name HD% )
( segid "PAH " and resid 345 and name HB% )
3.100 1.200 1.200 peak 166 spectrum 1 weight 0.10000E+01 volume 0.16813E-02 ppm1 1.443 ppm2 -1.066 CV 1
ASSI { 167}
(( segid "PAH " and resid 379 and name HZ ))
( segid "PAH " and resid 307 and name HB% )
3.300 1.400 1.400 peak 167 spectrum 1 weight 0.10000E+01 volume 0.56212E-03 ppm1 1.493 ppm2 -1.401 CV 1
ASSI { 168}
( segid "PAH " and resid 349 and name HE% )
( segid "PAH " and resid 342 and name HB% )
3.000 1.100 1.100 peak 168 spectrum 1 weight 0.10000E+01 volume 0.20791E-02 ppm1 1.493 ppm2 -1.205 CV 1
ASSI { 169}
( segid "PAH " and resid 349 and name HD% )
( segid "PAH " and resid 342 and name HB% )
2.700 0.900 0.900 peak 169 spectrum 1 weight 0.10000E+01 volume 0.31443E-02 ppm1 1.469 ppm2 -1.065 CV 1
ASSI { 170}
( segid "PAH " and resid 304 and name HD% )
( segid "PAH " and resid 307 and name HB% )
3.400 1.400 1.400 peak 170 spectrum 1 weight 0.10000E+01 volume 0.10781E-02 ppm1 1.494 ppm2 -0.833 CV 1
ASSI { 172}
( segid "PAH " and resid 318 and name HD% )
( segid "PAH " and resid 314 and name HG2%)
2.500 0.800 0.800 peak 172 spectrum 1 weight 0.10000E+01 volume 0.39015E-02 ppm1 0.788 ppm2 -0.704 CV 1
ASSI { 176}
( segid "PAH " and resid 366 and name HE% )
( segid "PAH " and resid 314 and name HG2%)
2.900 1.100 1.100 peak 176 spectrum 1 weight 0.10000E+01 volume 0.18801E-02 ppm1 0.787 ppm2 -1.312 CV 1
ASSI { 181}
( segid "SID " and resid 18 and name HE% )
( segid "PAH " and resid 308 and name HG2%)
3.600 1.600 1.600 peak 181 spectrum 1 weight 0.10000E+01 volume 0.78287E-03 ppm1 0.893 ppm2 -1.103 CV 1
ASSI { 182}
(( segid "PAH " and resid 366 and name HZ ))
( segid "PAH " and resid 314 and name HG2%)
2.800 0.900 0.900 peak 182 spectrum 1 weight 0.10000E+01 volume 0.25540E-02 ppm1 0.786 ppm2 5.963 CV 1
ASSI { 183}
(( segid "PAH " and resid 366 and name HZ ))
( segid "PAH " and resid 314 and name HD1%)
2.800 1.000 1.000 peak 183 spectrum 1 weight 0.10000E+01 volume 0.24512E-02 ppm1 0.063 ppm2 5.962 CV 1
ASSI { 186}
(( segid "PAH " and resid 342 and name HA ))
( segid "PAH " and resid 345 and name HB% )
2.600 0.800 0.800 peak 186 spectrum 1 weight 0.10000E+01 volume 0.41582E-02 ppm1 1.445 ppm2 3.943 CV 1
ASSI { 187}
(( segid "PAH " and resid 304 and name HA ))
( segid "PAH " and resid 307 and name HB% )
2.700 0.900 0.900 peak 187 spectrum 1 weight 0.10000E+01 volume 0.28299E-02 ppm1 1.489 ppm2 4.481 CV 1
ASSI { 189}
(( segid "PAH " and resid 324 and name HA ))
( segid "PAH " and resid 327 and name HB% )
2.400 0.700 0.700 peak 189 spectrum 1 weight 0.10000E+01 volume 0.63784E-02 ppm1 1.531 ppm2 3.702 CV 1
ASSI { 190}
( segid "PAH " and resid 328 and name HE% )
( segid "PAH " and resid 332 and name HD1%)
2.700 0.900 0.900 peak 190 spectrum 1 weight 0.10000E+01 volume 0.30224E-02 ppm1 0.554 ppm2 -1.057 CV 1
ASSI { 191}
(( segid "PAH " and resid 379 and name HZ ))
(( segid "PAH " and resid 310 and name HB2 ))
3.800 1.800 1.800 peak 191 spectrum 1 weight 0.10000E+01 volume 0.31892E-03 ppm1 2.931 ppm2 -1.393 CV 1
ASSI { 1}
( segid "SID " and resid 18 and name HD% )
(( segid "SID " and resid 18 and name HA ))
2.900 1.000 1.000 peak 1 spectrum 1 weight 0.10000E+01 volume 0.29209E-02 ppm1 7.169 ppm2 4.190 CV 1
ASSI { 2}
( segid "SID " and resid 18 and name HD% )
( segid "SID " and resid 18 and name HE% )
2.100 0.500 0.500 peak 2 spectrum 1 weight 0.10000E+01 volume 0.13540E-01 ppm1 7.172 ppm2 6.904 CV 1
ASSI { 3}
( segid "SID " and resid 18 and name HD% )
( segid "SID " and resid 19 and name HD2%)
2.800 1.000 1.000 peak 3 spectrum 1 weight 0.10000E+01 volume 0.34744E-02 ppm1 7.167 ppm2 0.995 CV 1
OR { 3}
( segid "SID " and resid 18 and name HD% )
( segid "SID " and resid 19 and name HD1%)
ASSI { 4}
( segid "SID " and resid 18 and name HE% )
( segid "SID " and resid 19 and name HD1%)
3.200 1.300 1.300 peak 4 spectrum 1 weight 0.10000E+01 volume 0.18734E-02 ppm1 6.902 ppm2 1.001 CV 1
ASSI { 5}
( segid "SID " and resid 18 and name HD% )
(( segid "SID " and resid 19 and name HB1 ))
2.900 1.000 1.000 peak 5 spectrum 1 weight 0.10000E+01 volume 0.27506E-02 ppm1 7.170 ppm2 2.015 CV 1
OR { 5}
( segid "SID " and resid 18 and name HD% )
(( segid "SID " and resid 19 and name HB2 ))
ASSI { 6}
( segid "SID " and resid 18 and name HD% )
(( segid "SID " and resid 18 and name HB2 ))
2.600 0.800 0.800 peak 6 spectrum 1 weight 0.10000E+01 volume 0.36277E-02 ppm1 7.170 ppm2 3.435 CV 1
ASSI { 7}
( segid "SID " and resid 18 and name HD% )
(( segid "SID " and resid 18 and name HB1 ))
2.700 0.900 0.900 peak 7 spectrum 1 weight 0.10000E+01 volume 0.31764E-02 ppm1 7.170 ppm2 3.533 CV 1
ASSI { 9}
(( segid "SID " and resid 8 and name HA ))
(( segid "SID " and resid 8 and name HB2 ))
2.700 0.900 0.900 peak 9 spectrum 1 weight 0.10000E+01 volume 0.35936E-02 ppm1 5.291 ppm2 2.993 CV 1
ASSI { 10}
(( segid "SID " and resid 8 and name HA ))
(( segid "SID " and resid 8 and name HB1 ))
2.600 0.800 0.800 peak 10 spectrum 1 weight 0.10000E+01 volume 0.34829E-02 ppm1 5.291 ppm2 3.386 CV 1
ASSI { 12}
(( segid "SID " and resid 7 and name HA ))
(( segid "SID " and resid 7 and name HB2 ))
2.700 0.900 0.900 peak 12 spectrum 1 weight 0.10000E+01 volume 0.33041E-02 ppm1 4.573 ppm2 1.921 CV 1
ASSI { 13}
(( segid "SID " and resid 17 and name HA ))
( segid "SID " and resid 16 and name HB% )
3.900 1.900 1.900 peak 13 spectrum 1 weight 0.10000E+01 volume 0.53308E-03 ppm1 4.502 ppm2 1.655 CV 1
ASSI { 14}
(( segid "SID " and resid 17 and name HA ))
(( segid "SID " and resid 20 and name HB2 ))
3.000 1.100 1.100 peak 14 spectrum 1 weight 0.10000E+01 volume 0.19330E-02 ppm1 4.502 ppm2 2.146 CV 1
ASSI { 15}
(( segid "SID " and resid 17 and name HA ))
(( segid "SID " and resid 20 and name HB1 ))
3.200 1.300 1.300 peak 15 spectrum 1 weight 0.10000E+01 volume 0.11325E-02 ppm1 4.501 ppm2 2.277 CV 1
ASSI { 17}
(( segid "SID " and resid 7 and name HA ))
(( segid "SID " and resid 7 and name HG2 ))
3.200 1.300 1.300 peak 17 spectrum 1 weight 0.10000E+01 volume 0.19671E-02 ppm1 4.569 ppm2 2.358 CV 1
ASSI { 18}
(( segid "SID " and resid 7 and name HA ))
(( segid "SID " and resid 7 and name HG1 ))
3.300 1.400 1.400 peak 18 spectrum 1 weight 0.10000E+01 volume 0.14647E-02 ppm1 4.571 ppm2 2.462 CV 1
ASSI { 19}
(( segid "SID " and resid 17 and name HA ))
(( segid "SID " and resid 17 and name HB2 ))
2.600 0.800 0.800 peak 19 spectrum 1 weight 0.10000E+01 volume 0.43856E-02 ppm1 4.505 ppm2 2.794 CV 1
ASSI { 20}
(( segid "SID " and resid 17 and name HA ))
(( segid "SID " and resid 17 and name HB1 ))
2.700 0.900 0.900 peak 20 spectrum 1 weight 0.10000E+01 volume 0.44963E-02 ppm1 4.502 ppm2 2.915 CV 1
ASSI { 21}
(( segid "SID " and resid 11 and name HA ))
(( segid "SID " and resid 11 and name HG1 ))
2.900 1.000 1.000 peak 21 spectrum 1 weight 0.10000E+01 volume 0.24184E-02 ppm1 4.307 ppm2 2.893 CV 1
ASSI { 22}
(( segid "SID " and resid 11 and name HA ))
(( segid "SID " and resid 11 and name HG2 ))
3.100 1.200 1.200 peak 22 spectrum 1 weight 0.10000E+01 volume 0.26739E-02 ppm1 4.306 ppm2 2.668 CV 1
ASSI { 23}
(( segid "SID " and resid 11 and name HA ))
(( segid "SID " and resid 11 and name HB1 ))
2.900 1.100 1.100 peak 23 spectrum 1 weight 0.10000E+01 volume 0.28442E-02 ppm1 4.307 ppm2 2.558 CV 1
ASSI { 26}
(( segid "SID " and resid 6 and name HA ))
(( segid "SID " and resid 6 and name HB2 ))
2.600 0.900 0.900 peak 26 spectrum 1 weight 0.10000E+01 volume 0.41471E-02 ppm1 4.310 ppm2 1.879 CV 1
OR { 26}
(( segid "SID " and resid 6 and name HA ))
(( segid "SID " and resid 6 and name HB1 ))
ASSI { 27}
(( segid "SID " and resid 6 and name HA ))
(( segid "SID " and resid 6 and name HG1 ))
2.700 0.900 0.900 peak 27 spectrum 1 weight 0.10000E+01 volume 0.36702E-02 ppm1 4.313 ppm2 1.764 CV 1
ASSI { 28}
(( segid "SID " and resid 6 and name HA ))
(( segid "SID " and resid 6 and name HG2 ))
2.700 0.900 0.900 peak 28 spectrum 1 weight 0.10000E+01 volume 0.31508E-02 ppm1 4.315 ppm2 1.667 CV 1
ASSI { 29}
(( segid "SID " and resid 20 and name HA ))
(( segid "SID " and resid 20 and name HB2 ))
2.600 0.800 0.800 peak 29 spectrum 1 weight 0.10000E+01 volume 0.44452E-02 ppm1 4.247 ppm2 2.147 CV 1
ASSI { 32}
(( segid "SID " and resid 20 and name HA ))
(( segid "SID " and resid 20 and name HG1 ))
3.000 1.200 1.200 peak 32 spectrum 1 weight 0.10000E+01 volume 0.20352E-02 ppm1 4.249 ppm2 2.509 CV 1
ASSI { 34}
(( segid "SID " and resid 14 and name HA ))
(( segid "SID " and resid 17 and name HB2 ))
3.400 1.400 1.400 peak 34 spectrum 1 weight 0.10000E+01 volume 0.12689E-02 ppm1 4.258 ppm2 2.798 CV 1
ASSI { 35}
(( segid "SID " and resid 14 and name HA ))
(( segid "SID " and resid 17 and name HB1 ))
2.900 1.000 1.000 peak 35 spectrum 1 weight 0.10000E+01 volume 0.23333E-02 ppm1 4.255 ppm2 2.917 CV 1
ASSI { 36}
(( segid "SID " and resid 6 and name HA ))
(( segid "SID " and resid 6 and name HD2 ))
3.700 1.700 1.700 peak 36 spectrum 1 weight 0.10000E+01 volume 0.14392E-02 ppm1 4.312 ppm2 3.231 CV 1
OR { 36}
(( segid "SID " and resid 6 and name HA ))
(( segid "SID " and resid 6 and name HD1 ))
ASSI { 38}
(( segid "SID " and resid 18 and name HA ))
(( segid "SID " and resid 18 and name HB2 ))
2.600 0.900 0.900 peak 38 spectrum 1 weight 0.10000E+01 volume 0.34233E-02 ppm1 4.191 ppm2 3.429 CV 1
ASSI { 39}
(( segid "SID " and resid 18 and name HA ))
(( segid "SID " and resid 18 and name HB1 ))
3.100 1.200 1.200 peak 39 spectrum 1 weight 0.10000E+01 volume 0.25802E-02 ppm1 4.192 ppm2 3.533 CV 1
ASSI { 40}
(( segid "SID " and resid 15 and name HA ))
(( segid "SID " and resid 18 and name HB2 ))
3.500 1.600 1.600 peak 40 spectrum 1 weight 0.10000E+01 volume 0.16520E-02 ppm1 4.108 ppm2 3.431 CV 1
ASSI { 41}
(( segid "SID " and resid 15 and name HA ))
(( segid "SID " and resid 18 and name HB1 ))
2.800 1.000 1.000 peak 41 spectrum 1 weight 0.10000E+01 volume 0.19245E-02 ppm1 4.110 ppm2 3.537 CV 1
ASSI { 42}
(( segid "SID " and resid 10 and name HA ))
(( segid "SID " and resid 10 and name HG1 ))
2.800 1.000 1.000 peak 42 spectrum 1 weight 0.10000E+01 volume 0.35340E-02 ppm1 4.003 ppm2 2.474 CV 1
OR { 42}
(( segid "SID " and resid 10 and name HA ))
(( segid "SID " and resid 10 and name HG2 ))
ASSI { 43}
(( segid "SID " and resid 16 and name HA ))
(( segid "SID " and resid 19 and name HB2 ))
2.800 1.000 1.000 peak 43 spectrum 1 weight 0.10000E+01 volume 0.28017E-02 ppm1 4.158 ppm2 1.984 CV 1
OR { 43}
(( segid "SID " and resid 16 and name HA ))
(( segid "SID " and resid 19 and name HB1 ))
ASSI { 44}
(( segid "SID " and resid 21 and name HA ))
(( segid "SID " and resid 21 and name HB1 ))
2.400 0.700 0.700 peak 44 spectrum 1 weight 0.10000E+01 volume 0.80135E-02 ppm1 4.174 ppm2 1.843 CV 1
OR { 44}
(( segid "SID " and resid 21 and name HA ))
(( segid "SID " and resid 21 and name HB2 ))
ASSI { 46}
(( segid "SID " and resid 19 and name HA ))
(( segid "SID " and resid 19 and name HG ))
2.700 0.900 0.900 peak 46 spectrum 1 weight 0.10000E+01 volume 0.43600E-02 ppm1 4.069 ppm2 1.611 CV 1
ASSI { 47}
(( segid "SID " and resid 19 and name HA ))
(( segid "SID " and resid 19 and name HB1 ))
2.500 0.800 0.800 peak 47 spectrum 1 weight 0.10000E+01 volume 0.55266E-02 ppm1 4.071 ppm2 1.993 CV 1
OR { 47}
(( segid "SID " and resid 19 and name HA ))
(( segid "SID " and resid 19 and name HB2 ))
ASSI { 49}
(( segid "SID " and resid 12 and name HA ))
(( segid "SID " and resid 12 and name HB1 ))
2.600 0.900 0.900 peak 49 spectrum 1 weight 0.10000E+01 volume 0.27931E-02 ppm1 3.953 ppm2 2.081 CV 1
ASSI { 50}
(( segid "SID " and resid 10 and name HA ))
(( segid "SID " and resid 10 and name HB2 ))
2.700 0.900 0.900 peak 50 spectrum 1 weight 0.10000E+01 volume 0.36447E-02 ppm1 4.001 ppm2 2.159 CV 1
ASSI { 51}
(( segid "SID " and resid 10 and name HA ))
(( segid "SID " and resid 10 and name HB1 ))
2.700 0.900 0.900 peak 51 spectrum 1 weight 0.10000E+01 volume 0.40876E-02 ppm1 4.001 ppm2 2.270 CV 1
ASSI { 52}
(( segid "SID " and resid 9 and name HA ))
(( segid "SID " and resid 9 and name HB ))
2.800 1.000 1.000 peak 52 spectrum 1 weight 0.10000E+01 volume 0.30912E-02 ppm1 3.830 ppm2 2.121 CV 1
ASSI { 53}
(( segid "SID " and resid 15 and name HA ))
( segid "SID " and resid 15 and name HB% )
2.300 0.600 0.600 peak 53 spectrum 1 weight 0.10000E+01 volume 0.83706E-02 ppm1 4.107 ppm2 1.296 CV 1
ASSI { 54}
(( segid "SID " and resid 19 and name HA ))
( segid "SID " and resid 19 and name HD1%)
2.400 0.700 0.700 peak 54 spectrum 1 weight 0.10000E+01 volume 0.10134E-01 ppm1 4.070 ppm2 0.994 CV 1
OR { 54}
(( segid "SID " and resid 19 and name HA ))
( segid "SID " and resid 19 and name HD2%)
ASSI { 55}
(( segid "SID " and resid 16 and name HA ))
( segid "SID " and resid 19 and name HD2%)
2.900 1.100 1.100 peak 55 spectrum 1 weight 0.10000E+01 volume 0.29379E-02 ppm1 4.158 ppm2 0.962 CV 1
OR { 55}
(( segid "SID " and resid 16 and name HA ))
( segid "SID " and resid 19 and name HD1%)
ASSI { 56}
(( segid "SID " and resid 12 and name HA ))
(( segid "SID " and resid 12 and name HB2 ))
2.600 0.900 0.900 peak 56 spectrum 1 weight 0.10000E+01 volume 0.53734E-02 ppm1 3.952 ppm2 1.336 CV 1
ASSI { 58}
(( segid "SID " and resid 13 and name HA ))
( segid "SID " and resid 16 and name HB% )
2.500 0.800 0.800 peak 58 spectrum 1 weight 0.10000E+01 volume 0.58928E-02 ppm1 3.978 ppm2 1.650 CV 1
ASSI { 59}
(( segid "SID " and resid 9 and name HA ))
( segid "SID " and resid 9 and name HG2%)
2.700 0.900 0.900 peak 59 spectrum 1 weight 0.10000E+01 volume 0.34914E-02 ppm1 3.830 ppm2 0.994 CV 1
ASSI { 63}
(( segid "SID " and resid 9 and name HA ))
( segid "SID " and resid 12 and name HD1%)
2.900 1.000 1.000 peak 63 spectrum 1 weight 0.10000E+01 volume 0.24525E-02 ppm1 3.830 ppm2 0.803 CV 1
ASSI { 64}
(( segid "SID " and resid 9 and name HA ))
( segid "SID " and resid 9 and name HD1%)
2.800 1.000 1.000 peak 64 spectrum 1 weight 0.10000E+01 volume 0.31252E-02 ppm1 3.830 ppm2 0.619 CV 1
ASSI { 65}
(( segid "SID " and resid 12 and name HA ))
( segid "SID " and resid 12 and name HD1%)
3.800 1.800 1.800 peak 65 spectrum 1 weight 0.10000E+01 volume 0.12518E-02 ppm1 3.952 ppm2 0.804 CV 1
ASSI { 67}
(( segid "SID " and resid 13 and name HA ))
( segid "SID " and resid 13 and name HD2%)
2.400 0.700 0.700 peak 67 spectrum 1 weight 0.10000E+01 volume 0.80898E-02 ppm1 3.981 ppm2 0.528 CV 1
ASSI { 68}
(( segid "SID " and resid 12 and name HA ))
( segid "SID " and resid 12 and name HD2%)
2.500 0.800 0.800 peak 68 spectrum 1 weight 0.10000E+01 volume 0.48284E-02 ppm1 3.953 ppm2 0.382 CV 1
ASSI { 69}
(( segid "SID " and resid 8 and name HB1 ))
(( segid "SID " and resid 8 and name HB2 ))
2.000 0.500 0.500 peak 69 spectrum 1 weight 0.10000E+01 volume 0.97928E-02 ppm1 3.391 ppm2 2.996 CV 1
ASSI { 70}
(( segid "SID " and resid 11 and name HG1 ))
(( segid "SID " and resid 11 and name HB2 ))
2.700 0.900 0.900 peak 70 spectrum 1 weight 0.10000E+01 volume 0.40961E-02 ppm1 2.899 ppm2 2.253 CV 1
OR { 70}
(( segid "SID " and resid 11 and name HG1 ))
( segid "SID " and resid 11 and name HE% )
ASSI { 71}
(( segid "SID " and resid 12 and name HB1 ))
( segid "SID " and resid 12 and name HD2%)
3.200 1.200 1.200 peak 71 spectrum 1 weight 0.10000E+01 volume 0.10134E-02 ppm1 2.081 ppm2 0.376 CV 1
ASSI { 72}
(( segid "SID " and resid 9 and name HB ))
( segid "SID " and resid 9 and name HD1%)
2.800 1.000 1.000 peak 72 spectrum 1 weight 0.10000E+01 volume 0.33892E-02 ppm1 2.115 ppm2 0.622 CV 1
ASSI { 73}
(( segid "SID " and resid 12 and name HB1 ))
( segid "SID " and resid 12 and name HD1%)
2.800 1.000 1.000 peak 73 spectrum 1 weight 0.10000E+01 volume 0.29634E-02 ppm1 2.090 ppm2 0.803 CV 1
ASSI { 74}
(( segid "SID " and resid 9 and name HB ))
( segid "SID " and resid 9 and name HG2%)
2.200 0.600 0.600 peak 74 spectrum 1 weight 0.10000E+01 volume 0.84477E-02 ppm1 2.115 ppm2 0.993 CV 1
ASSI { 75}
(( segid "SID " and resid 13 and name HB1 ))
( segid "SID " and resid 13 and name HD2%)
2.800 1.000 1.000 peak 75 spectrum 1 weight 0.10000E+01 volume 0.23162E-02 ppm1 1.979 ppm2 0.530 CV 1
ASSI { 76}
(( segid "SID " and resid 13 and name HB1 ))
( segid "SID " and resid 13 and name HD1%)
2.700 0.900 0.900 peak 76 spectrum 1 weight 0.10000E+01 volume 0.41471E-02 ppm1 1.979 ppm2 0.645 CV 1
ASSI { 77}
(( segid "SID " and resid 19 and name HB1 ))
( segid "SID " and resid 19 and name HD1%)
2.000 0.500 0.500 peak 77 spectrum 1 weight 0.10000E+01 volume 0.19586E-01 ppm1 2.001 ppm2 0.975 CV 1
OR { 77}
(( segid "SID " and resid 19 and name HB2 ))
( segid "SID " and resid 19 and name HD2%)
OR { 77}
(( segid "SID " and resid 19 and name HB1 ))
( segid "SID " and resid 19 and name HD2%)
OR { 77}
(( segid "SID " and resid 19 and name HB2 ))
( segid "SID " and resid 19 and name HD1%)
ASSI { 78}
(( segid "SID " and resid 12 and name HG ))
( segid "SID " and resid 12 and name HD2%)
2.500 0.800 0.800 peak 78 spectrum 1 weight 0.10000E+01 volume 0.43771E-02 ppm1 1.560 ppm2 0.381 CV 1
ASSI { 79}
(( segid "SID " and resid 13 and name HG ))
( segid "SID " and resid 13 and name HD2%)
2.300 0.700 0.700 peak 79 spectrum 1 weight 0.10000E+01 volume 0.69573E-02 ppm1 1.601 ppm2 0.531 CV 1
ASSI { 80}
(( segid "SID " and resid 13 and name HB2 ))
( segid "SID " and resid 13 and name HD2%)
3.000 1.100 1.100 peak 80 spectrum 1 weight 0.10000E+01 volume 0.37809E-02 ppm1 1.506 ppm2 0.532 CV 1
ASSI { 82}
(( segid "SID " and resid 13 and name HB2 ))
( segid "SID " and resid 13 and name HD1%)
2.500 0.800 0.800 peak 82 spectrum 1 weight 0.10000E+01 volume 0.49221E-02 ppm1 1.508 ppm2 0.644 CV 1
ASSI { 83}
(( segid "SID " and resid 12 and name HB2 ))
( segid "SID " and resid 12 and name HD2%)
3.100 1.200 1.200 peak 83 spectrum 1 weight 0.10000E+01 volume 0.34318E-02 ppm1 1.321 ppm2 0.377 CV 1
ASSI { 85}
(( segid "SID " and resid 9 and name HG12))
( segid "SID " and resid 9 and name HD1%)
2.500 0.800 0.800 peak 85 spectrum 1 weight 0.10000E+01 volume 0.52201E-02 ppm1 1.341 ppm2 0.622 CV 1
ASSI { 86}
(( segid "SID " and resid 12 and name HB2 ))
( segid "SID " and resid 12 and name HD1%)
2.500 0.800 0.800 peak 86 spectrum 1 weight 0.10000E+01 volume 0.42068E-02 ppm1 1.327 ppm2 0.800 CV 1
ASSI { 87}
(( segid "SID " and resid 12 and name HG ))
( segid "SID " and resid 12 and name HD1%)
2.400 0.700 0.700 peak 87 spectrum 1 weight 0.10000E+01 volume 0.60972E-02 ppm1 1.564 ppm2 0.803 CV 1
ASSI { 88}
(( segid "SID " and resid 19 and name HG ))
( segid "SID " and resid 19 and name HD1%)
2.100 0.500 0.500 peak 88 spectrum 1 weight 0.10000E+01 volume 0.16095E-01 ppm1 1.625 ppm2 0.985 CV 1
OR { 88}
(( segid "SID " and resid 19 and name HG ))
( segid "SID " and resid 19 and name HD2%)
ASSI { 89}
(( segid "SID " and resid 12 and name HB1 ))
(( segid "SID " and resid 12 and name HB2 ))
1.900 0.400 0.400 peak 89 spectrum 1 weight 0.10000E+01 volume 0.13284E-01 ppm1 2.089 ppm2 1.330 CV 1
ASSI { 90}
(( segid "SID " and resid 13 and name HB1 ))
(( segid "SID " and resid 13 and name HB2 ))
1.800 0.400 0.400 peak 90 spectrum 1 weight 0.10000E+01 volume 0.13284E-01 ppm1 1.978 ppm2 1.500 CV 1
ASSI { 92}
(( segid "SID " and resid 21 and name HD2 ))
(( segid "SID " and resid 21 and name HG2 ))
3.200 1.300 1.300 peak 92 spectrum 1 weight 0.10000E+01 volume 0.14562E-02 ppm1 3.128 ppm2 1.669 CV 1
ASSI { 93}
(( segid "SID " and resid 6 and name HD1 ))
(( segid "SID " and resid 6 and name HG2 ))
2.400 0.700 0.700 peak 93 spectrum 1 weight 0.10000E+01 volume 0.65230E-02 ppm1 3.232 ppm2 1.676 CV 1
OR { 93}
(( segid "SID " and resid 6 and name HD2 ))
(( segid "SID " and resid 6 and name HG2 ))
ASSI { 94}
(( segid "SID " and resid 6 and name HD2 ))
(( segid "SID " and resid 6 and name HB1 ))
3.000 1.100 1.100 peak 94 spectrum 1 weight 0.10000E+01 volume 0.19416E-02 ppm1 3.234 ppm2 1.879 CV 1
OR { 94}
(( segid "SID " and resid 6 and name HD2 ))
(( segid "SID " and resid 6 and name HB2 ))
OR { 94}
(( segid "SID " and resid 6 and name HD1 ))
(( segid "SID " and resid 6 and name HB2 ))
OR { 94}
(( segid "SID " and resid 6 and name HD1 ))
(( segid "SID " and resid 6 and name HB1 ))
ASSI { 97}
( segid "SID " and resid 12 and name HD1%)
( segid "SID " and resid 12 and name HD2%)
2.400 0.700 0.700 peak 97 spectrum 1 weight 0.10000E+01 volume 0.72897E-02 ppm1 0.804 ppm2 0.374 CV 1
ASSI { 99}
( segid "SID " and resid 9 and name HG2%)
( segid "SID " and resid 13 and name HD2%)
3.300 1.300 1.300 peak 99 spectrum 1 weight 0.10000E+01 volume 0.19416E-02 ppm1 0.996 ppm2 0.531 CV 1
ASSI { 101}
(( segid "SID " and resid 9 and name HG11))
(( segid "SID " and resid 9 and name HG12))
1.800 0.400 0.400 peak 101 spectrum 1 weight 0.10000E+01 volume 0.18309E-01 ppm1 1.646 ppm2 1.346 CV 1
ASSI { 102}
(( segid "SID " and resid 11 and name HG1 ))
(( segid "SID " and resid 11 and name HB1 ))
2.700 0.900 0.900 peak 102 spectrum 1 weight 0.10000E+01 volume 0.31849E-02 ppm1 2.900 ppm2 2.555 CV 1
ASSI { 103}
(( segid "SID " and resid 11 and name HG1 ))
(( segid "SID " and resid 11 and name HG2 ))
2.000 0.500 0.500 peak 103 spectrum 1 weight 0.10000E+01 volume 0.11155E-01 ppm1 2.898 ppm2 2.667 CV 1
ASSI { 111}
(( segid "SID " and resid 7 and name HA ))
(( segid "SID " and resid 10 and name HB2 ))
3.900 1.900 1.900 peak 111 spectrum 1 weight 0.10000E+01 volume 0.49731E-03 ppm1 4.573 ppm2 2.168 CV 1
ASSI { 112}
(( segid "SID " and resid 7 and name HA ))
(( segid "SID " and resid 11 and name HB1 ))
4.600 2.600 1.400 peak 112 spectrum 1 weight 0.10000E+01 volume 0.37894E-03 ppm1 4.572 ppm2 2.555 CV 1
ASSI { 113}
(( segid "SID " and resid 8 and name HA ))
(( segid "SID " and resid 11 and name HB1 ))
3.800 1.800 1.800 peak 113 spectrum 1 weight 0.10000E+01 volume 0.30231E-03 ppm1 5.295 ppm2 2.547 CV 1
ASSI { 116}
(( segid "SID " and resid 10 and name HA ))
( segid "SID " and resid 9 and name HG2%)
3.800 1.800 1.800 peak 116 spectrum 1 weight 0.10000E+01 volume 0.46069E-03 ppm1 3.997 ppm2 0.995 CV 1
ASSI { 117}
(( segid "SID " and resid 9 and name HA ))
(( segid "SID " and resid 9 and name HG11))
3.200 1.300 1.300 peak 117 spectrum 1 weight 0.10000E+01 volume 0.12348E-02 ppm1 3.829 ppm2 1.643 CV 1
ASSI { 118}
(( segid "SID " and resid 9 and name HA ))
(( segid "SID " and resid 12 and name HB1 ))
3.400 1.500 1.500 peak 118 spectrum 1 weight 0.10000E+01 volume 0.25972E-02 ppm1 3.830 ppm2 2.077 CV 1
ASSI { 119}
(( segid "SID " and resid 9 and name HA ))
( segid "SID " and resid 12 and name HD2%)
4.500 2.500 1.500 peak 119 spectrum 1 weight 0.10000E+01 volume 0.39939E-03 ppm1 3.826 ppm2 0.376 CV 1
ASSI { 120}
(( segid "SID " and resid 17 and name HA ))
(( segid "SID " and resid 20 and name HG2 ))
4.400 2.500 1.600 peak 120 spectrum 1 weight 0.10000E+01 volume 0.41471E-03 ppm1 4.499 ppm2 2.433 CV 1
ASSI { 121}
(( segid "SID " and resid 17 and name HA ))
(( segid "SID " and resid 20 and name HG1 ))
4.200 2.200 1.800 peak 121 spectrum 1 weight 0.10000E+01 volume 0.56288E-03 ppm1 4.499 ppm2 2.523 CV 1
ASSI { 122}
(( segid "SID " and resid 16 and name HA ))
( segid "SID " and resid 15 and name HB% )
3.600 1.600 1.600 peak 122 spectrum 1 weight 0.10000E+01 volume 0.84557E-03 ppm1 4.160 ppm2 1.290 CV 1
ASSI { 125}
(( segid "SID " and resid 9 and name HG11))
( segid "SID " and resid 9 and name HD1%)
2.300 0.700 0.700 peak 125 spectrum 1 weight 0.10000E+01 volume 0.80215E-02 ppm1 1.646 ppm2 0.628 CV 1
ASSI { 1}
(( segid "PAH " and resid 296 and name HA ))
(( segid "PAH " and resid 297 and name HN ))
3.000 1.100 1.100 peak 1 spectrum 1 weight 0.10000E+01 volume 0.18740E-02 ppm1 8.427 ppm2 4.328 CV 1
ASSI { 2}
(( segid "PAH " and resid 297 and name HA ))
(( segid "PAH " and resid 297 and name HN ))
3.300 1.300 1.300 peak 2 spectrum 1 weight 0.10000E+01 volume 0.10874E-02 ppm1 8.428 ppm2 3.992 CV 1
ASSI { 3}
(( segid "PAH " and resid 297 and name HB1 ))
(( segid "PAH " and resid 297 and name HN ))
3.100 1.200 1.200 peak 3 spectrum 1 weight 0.10000E+01 volume 0.19003E-02 ppm1 8.427 ppm2 1.859 CV 1
ASSI { 4}
(( segid "PAH " and resid 297 and name HB2 ))
(( segid "PAH " and resid 297 and name HN ))
2.800 1.000 1.000 peak 4 spectrum 1 weight 0.10000E+01 volume 0.26921E-02 ppm1 8.427 ppm2 1.658 CV 1
ASSI { 5}
(( segid "PAH " and resid 296 and name HB2 ))
(( segid "PAH " and resid 297 and name HN ))
3.700 1.700 1.700 peak 5 spectrum 1 weight 0.10000E+01 volume 0.62552E-03 ppm1 8.428 ppm2 1.564 CV 1
ASSI { 6}
(( segid "PAH " and resid 297 and name HA ))
(( segid "PAH " and resid 298 and name HN ))
3.200 1.300 1.300 peak 6 spectrum 1 weight 0.10000E+01 volume 0.11666E-02 ppm1 8.086 ppm2 3.982 CV 1
ASSI { 7}
(( segid "PAH " and resid 298 and name HB2 ))
(( segid "PAH " and resid 298 and name HN ))
3.100 1.200 1.200 peak 7 spectrum 1 weight 0.10000E+01 volume 0.16258E-02 ppm1 8.085 ppm2 2.746 CV 1
ASSI { 8}
(( segid "PAH " and resid 297 and name HB1 ))
(( segid "PAH " and resid 298 and name HN ))
3.200 1.300 1.300 peak 8 spectrum 1 weight 0.10000E+01 volume 0.14595E-02 ppm1 8.082 ppm2 1.856 CV 1
ASSI { 10}
(( segid "PAH " and resid 299 and name HB1 ))
(( segid "PAH " and resid 299 and name HN ))
3.400 1.400 1.400 peak 10 spectrum 1 weight 0.10000E+01 volume 0.11718E-02 ppm1 8.283 ppm2 2.850 CV 1
ASSI { 11}
(( segid "PAH " and resid 301 and name HD2 ))
(( segid "PAH " and resid 300 and name HN ))
3.600 1.600 1.600 peak 11 spectrum 1 weight 0.10000E+01 volume 0.15598E-02 ppm1 8.250 ppm2 3.641 CV 1
ASSI { 12}
(( segid "PAH " and resid 299 and name HB2 ))
(( segid "PAH " and resid 300 and name HN ))
3.500 1.500 1.500 peak 12 spectrum 1 weight 0.10000E+01 volume 0.95018E-03 ppm1 8.248 ppm2 2.759 CV 1
ASSI { 13}
(( segid "PAH " and resid 299 and name HB1 ))
(( segid "PAH " and resid 300 and name HN ))
3.800 1.800 1.800 peak 13 spectrum 1 weight 0.10000E+01 volume 0.42493E-03 ppm1 8.247 ppm2 2.847 CV 1
ASSI { 15}
(( segid "PAH " and resid 300 and name HG2 ))
(( segid "PAH " and resid 300 and name HN ))
3.000 1.100 1.100 peak 15 spectrum 1 weight 0.10000E+01 volume 0.29296E-02 ppm1 8.246 ppm2 2.207 CV 1
ASSI { 16}
(( segid "PAH " and resid 300 and name HB2 ))
(( segid "PAH " and resid 300 and name HN ))
2.700 0.900 0.900 peak 16 spectrum 1 weight 0.10000E+01 volume 0.36950E-02 ppm1 8.247 ppm2 1.934 CV 1
OR { 16}
(( segid "PAH " and resid 300 and name HB1 ))
(( segid "PAH " and resid 300 and name HN ))
ASSI { 17}
(( segid "PAH " and resid 303 and name HN ))
(( segid "PAH " and resid 302 and name HN ))
2.800 1.000 1.000 peak 17 spectrum 1 weight 0.10000E+01 volume 0.20270E-02 ppm1 8.379 ppm2 8.843 CV 1
ASSI { 18}
(( segid "PAH " and resid 301 and name HA ))
(( segid "PAH " and resid 302 and name HN ))
2.500 0.800 0.800 peak 18 spectrum 1 weight 0.10000E+01 volume 0.45661E-02 ppm1 8.380 ppm2 4.499 CV 1
ASSI { 19}
(( segid "PAH " and resid 302 and name HA ))
(( segid "PAH " and resid 302 and name HN ))
2.900 1.100 1.100 peak 19 spectrum 1 weight 0.10000E+01 volume 0.20613E-02 ppm1 8.382 ppm2 3.864 CV 1
ASSI { 20}
(( segid "PAH " and resid 301 and name HD1 ))
(( segid "PAH " and resid 302 and name HN ))
5.100 3.200 0.900 peak 20 spectrum 1 weight 0.10000E+01 volume 0.13196E-03 ppm1 8.380 ppm2 3.682 CV 1
ASSI { 21}
(( segid "PAH " and resid 301 and name HB1 ))
(( segid "PAH " and resid 302 and name HN ))
4.000 2.000 2.000 peak 21 spectrum 1 weight 0.10000E+01 volume 0.50939E-03 ppm1 8.380 ppm2 2.377 CV 1
ASSI { 23}
( segid "PAH " and resid 302 and name HG1%)
(( segid "PAH " and resid 302 and name HN ))
3.200 1.300 1.300 peak 23 spectrum 1 weight 0.10000E+01 volume 0.39590E-02 ppm1 8.380 ppm2 0.995 CV 1
ASSI { 24}
( segid "PAH " and resid 302 and name HG2%)
(( segid "PAH " and resid 302 and name HN ))
2.900 1.000 1.000 peak 24 spectrum 1 weight 0.10000E+01 volume 0.18502E-02 ppm1 8.382 ppm2 0.906 CV 1
ASSI { 28}
(( segid "PAH " and resid 303 and name HA ))
(( segid "PAH " and resid 303 and name HN ))
3.000 1.100 1.100 peak 28 spectrum 1 weight 0.10000E+01 volume 0.17103E-02 ppm1 8.836 ppm2 4.202 CV 1
ASSI { 29}
(( segid "PAH " and resid 302 and name HA ))
(( segid "PAH " and resid 303 and name HN ))
3.000 1.100 1.100 peak 29 spectrum 1 weight 0.10000E+01 volume 0.21379E-02 ppm1 8.840 ppm2 3.864 CV 1
ASSI { 30}
(( segid "PAH " and resid 303 and name HG1 ))
(( segid "PAH " and resid 303 and name HN ))
3.400 1.500 1.500 peak 30 spectrum 1 weight 0.10000E+01 volume 0.71262E-03 ppm1 8.844 ppm2 2.410 CV 1
ASSI { 31}
(( segid "PAH " and resid 303 and name HG2 ))
(( segid "PAH " and resid 303 and name HN ))
3.600 1.600 1.600 peak 31 spectrum 1 weight 0.10000E+01 volume 0.11032E-02 ppm1 8.843 ppm2 2.303 CV 1
ASSI { 34}
( segid "PAH " and resid 302 and name HG1%)
(( segid "PAH " and resid 303 and name HN ))
3.900 1.900 1.900 peak 34 spectrum 1 weight 0.10000E+01 volume 0.61760E-03 ppm1 8.843 ppm2 0.994 CV 1
ASSI { 35}
( segid "PAH " and resid 302 and name HG2%)
(( segid "PAH " and resid 303 and name HN ))
4.100 2.100 1.900 peak 35 spectrum 1 weight 0.10000E+01 volume 0.79705E-03 ppm1 8.843 ppm2 0.903 CV 1
ASSI { 36}
(( segid "PAH " and resid 303 and name HN ))
(( segid "PAH " and resid 304 and name HN ))
3.100 1.200 1.200 peak 36 spectrum 1 weight 0.10000E+01 volume 0.11771E-02 ppm1 8.538 ppm2 8.842 CV 1
ASSI { 37}
(( segid "PAH " and resid 305 and name HN ))
(( segid "PAH " and resid 304 and name HN ))
2.900 1.100 1.100 peak 37 spectrum 1 weight 0.10000E+01 volume 0.18897E-02 ppm1 8.534 ppm2 8.221 CV 1
ASSI { 38}
(( segid "PAH " and resid 304 and name HA ))
(( segid "PAH " and resid 304 and name HN ))
3.100 1.200 1.200 peak 38 spectrum 1 weight 0.10000E+01 volume 0.14120E-02 ppm1 8.536 ppm2 4.471 CV 1
ASSI { 39}
(( segid "PAH " and resid 303 and name HA ))
(( segid "PAH " and resid 304 and name HN ))
3.200 1.300 1.300 peak 39 spectrum 1 weight 0.10000E+01 volume 0.13039E-02 ppm1 8.534 ppm2 4.206 CV 1
ASSI { 40}
(( segid "PAH " and resid 304 and name HB1 ))
(( segid "PAH " and resid 304 and name HN ))
2.700 0.900 0.900 peak 40 spectrum 1 weight 0.10000E+01 volume 0.30352E-02 ppm1 8.532 ppm2 3.218 CV 1
ASSI { 41}
(( segid "PAH " and resid 304 and name HB2 ))
(( segid "PAH " and resid 304 and name HN ))
2.700 0.900 0.900 peak 41 spectrum 1 weight 0.10000E+01 volume 0.25021E-02 ppm1 8.534 ppm2 3.016 CV 1
ASSI { 42}
( segid "SID " and resid 11 and name HE% )
(( segid "PAH " and resid 304 and name HN ))
3.600 1.600 1.600 peak 42 spectrum 1 weight 0.10000E+01 volume 0.70734E-03 ppm1 8.536 ppm2 2.221 CV 1
ASSI { 43}
(( segid "PAH " and resid 303 and name HB2 ))
(( segid "PAH " and resid 304 and name HN ))
3.100 1.200 1.200 peak 43 spectrum 1 weight 0.10000E+01 volume 0.14965E-02 ppm1 8.534 ppm2 2.072 CV 1
OR { 43}
(( segid "PAH " and resid 303 and name HB1 ))
(( segid "PAH " and resid 304 and name HN ))
ASSI { 45}
(( segid "PAH " and resid 306 and name HN ))
(( segid "PAH " and resid 305 and name HN ))
3.500 1.600 1.600 peak 45 spectrum 1 weight 0.10000E+01 volume 0.55162E-03 ppm1 8.229 ppm2 8.041 CV 1
ASSI { 46}
( segid "PAH " and resid 304 and name HD% )
(( segid "PAH " and resid 304 and name HN ))
4.600 2.600 1.400 peak 46 spectrum 1 weight 0.10000E+01 volume 0.44604E-03 ppm1 8.536 ppm2 7.162 CV 1
ASSI { 47}
( segid "PAH " and resid 304 and name HD% )
(( segid "PAH " and resid 305 and name HN ))
4.300 2.400 1.700 peak 47 spectrum 1 weight 0.10000E+01 volume 0.31144E-03 ppm1 8.225 ppm2 7.158 CV 1
ASSI { 48}
(( segid "PAH " and resid 304 and name HA ))
(( segid "PAH " and resid 305 and name HN ))
3.500 1.600 1.600 peak 48 spectrum 1 weight 0.10000E+01 volume 0.78651E-03 ppm1 8.228 ppm2 4.482 CV 1
ASSI { 49}
(( segid "PAH " and resid 305 and name HA ))
(( segid "PAH " and resid 305 and name HN ))
3.000 1.100 1.100 peak 49 spectrum 1 weight 0.10000E+01 volume 0.18185E-02 ppm1 8.225 ppm2 4.331 CV 1
ASSI { 50}
(( segid "PAH " and resid 302 and name HA ))
(( segid "PAH " and resid 305 and name HN ))
4.000 2.000 2.000 peak 50 spectrum 1 weight 0.10000E+01 volume 0.30352E-03 ppm1 8.221 ppm2 3.861 CV 1
ASSI { 51}
(( segid "PAH " and resid 304 and name HB1 ))
(( segid "PAH " and resid 305 and name HN ))
3.400 1.500 1.500 peak 51 spectrum 1 weight 0.10000E+01 volume 0.54370E-03 ppm1 8.229 ppm2 3.218 CV 1
ASSI { 52}
(( segid "PAH " and resid 304 and name HB2 ))
(( segid "PAH " and resid 305 and name HN ))
3.900 1.900 1.900 peak 52 spectrum 1 weight 0.10000E+01 volume 0.13329E-02 ppm1 8.227 ppm2 3.022 CV 1
ASSI { 53}
(( segid "PAH " and resid 305 and name HB1 ))
(( segid "PAH " and resid 305 and name HN ))
2.800 1.000 1.000 peak 53 spectrum 1 weight 0.10000E+01 volume 0.35895E-02 ppm1 8.227 ppm2 2.900 CV 1
ASSI { 54}
(( segid "PAH " and resid 305 and name HB2 ))
(( segid "PAH " and resid 305 and name HN ))
2.900 1.000 1.000 peak 54 spectrum 1 weight 0.10000E+01 volume 0.18607E-02 ppm1 8.226 ppm2 2.791 CV 1
ASSI { 57}
(( segid "PAH " and resid 306 and name HA ))
(( segid "PAH " and resid 306 and name HN ))
3.600 1.600 1.600 peak 57 spectrum 1 weight 0.10000E+01 volume 0.60705E-03 ppm1 8.052 ppm2 4.610 CV 1
ASSI { 58}
(( segid "PAH " and resid 306 and name HB1 ))
(( segid "PAH " and resid 306 and name HN ))
3.200 1.300 1.300 peak 58 spectrum 1 weight 0.10000E+01 volume 0.17288E-02 ppm1 8.052 ppm2 3.521 CV 1
ASSI { 59}
(( segid "PAH " and resid 306 and name HB2 ))
(( segid "PAH " and resid 306 and name HN ))
2.800 1.000 1.000 peak 59 spectrum 1 weight 0.10000E+01 volume 0.18740E-02 ppm1 8.052 ppm2 3.441 CV 1
ASSI { 60}
(( segid "PAH " and resid 305 and name HB2 ))
(( segid "PAH " and resid 306 and name HN ))
4.100 2.100 1.900 peak 60 spectrum 1 weight 0.10000E+01 volume 0.35631E-03 ppm1 8.049 ppm2 2.779 CV 1
ASSI { 61}
(( segid "PAH " and resid 305 and name HB1 ))
(( segid "PAH " and resid 306 and name HN ))
3.400 1.400 1.400 peak 61 spectrum 1 weight 0.10000E+01 volume 0.76279E-03 ppm1 8.051 ppm2 2.897 CV 1
ASSI { 62}
(( segid "PAH " and resid 308 and name HN ))
(( segid "PAH " and resid 307 and name HN ))
2.900 1.000 1.000 peak 62 spectrum 1 weight 0.10000E+01 volume 0.17974E-02 ppm1 8.209 ppm2 8.310 CV 1
ASSI { 63}
(( segid "PAH " and resid 306 and name HN ))
(( segid "PAH " and resid 307 and name HN ))
3.100 1.200 1.200 peak 63 spectrum 1 weight 0.10000E+01 volume 0.12167E-02 ppm1 8.205 ppm2 8.048 CV 1
ASSI { 64}
(( segid "PAH " and resid 306 and name HA ))
(( segid "PAH " and resid 307 and name HN ))
3.600 1.600 1.600 peak 64 spectrum 1 weight 0.10000E+01 volume 0.65455E-03 ppm1 8.203 ppm2 4.609 CV 1
ASSI { 65}
(( segid "PAH " and resid 304 and name HA ))
(( segid "PAH " and resid 307 and name HN ))
3.500 1.500 1.500 peak 65 spectrum 1 weight 0.10000E+01 volume 0.69678E-03 ppm1 8.205 ppm2 4.472 CV 1
ASSI { 66}
(( segid "PAH " and resid 307 and name HA ))
(( segid "PAH " and resid 307 and name HN ))
2.900 1.000 1.000 peak 66 spectrum 1 weight 0.10000E+01 volume 0.21009E-02 ppm1 8.211 ppm2 4.154 CV 1
ASSI { 67}
(( segid "PAH " and resid 306 and name HB1 ))
(( segid "PAH " and resid 307 and name HN ))
3.100 1.200 1.200 peak 67 spectrum 1 weight 0.10000E+01 volume 0.13804E-02 ppm1 8.210 ppm2 3.540 CV 1
ASSI { 68}
(( segid "PAH " and resid 306 and name HB2 ))
(( segid "PAH " and resid 307 and name HN ))
3.300 1.400 1.400 peak 68 spectrum 1 weight 0.10000E+01 volume 0.13355E-02 ppm1 8.207 ppm2 3.442 CV 1
ASSI { 69}
( segid "PAH " and resid 307 and name HB% )
(( segid "PAH " and resid 307 and name HN ))
2.400 0.700 0.700 peak 69 spectrum 1 weight 0.10000E+01 volume 0.57273E-02 ppm1 8.207 ppm2 1.478 CV 1
ASSI { 71}
(( segid "PAH " and resid 298 and name HA ))
(( segid "PAH " and resid 299 and name HN ))
3.800 1.900 1.900 peak 71 spectrum 1 weight 0.10000E+01 volume 0.41174E-03 ppm1 8.278 ppm2 4.621 CV 1
ASSI { 72}
(( segid "PAH " and resid 305 and name HA ))
(( segid "PAH " and resid 308 and name HN ))
3.200 1.300 1.300 peak 72 spectrum 1 weight 0.10000E+01 volume 0.12431E-02 ppm1 8.276 ppm2 4.336 CV 1
ASSI { 73}
(( segid "PAH " and resid 307 and name HA ))
(( segid "PAH " and resid 308 and name HN ))
3.700 1.700 1.700 peak 73 spectrum 1 weight 0.10000E+01 volume 0.58857E-03 ppm1 8.272 ppm2 4.144 CV 1
ASSI { 74}
(( segid "PAH " and resid 308 and name HA ))
(( segid "PAH " and resid 308 and name HN ))
2.800 1.000 1.000 peak 74 spectrum 1 weight 0.10000E+01 volume 0.21484E-02 ppm1 8.280 ppm2 3.472 CV 1
ASSI { 75}
(( segid "PAH " and resid 308 and name HB ))
(( segid "PAH " and resid 308 and name HN ))
2.400 0.700 0.700 peak 75 spectrum 1 weight 0.10000E+01 volume 0.50147E-02 ppm1 8.282 ppm2 1.793 CV 1
ASSI { 76}
( segid "PAH " and resid 307 and name HB% )
(( segid "PAH " and resid 308 and name HN ))
2.600 0.900 0.900 peak 76 spectrum 1 weight 0.10000E+01 volume 0.30616E-02 ppm1 8.282 ppm2 1.474 CV 1
ASSI { 77}
( segid "SID " and resid 15 and name HB% )
(( segid "PAH " and resid 308 and name HN ))
3.400 1.500 1.500 peak 77 spectrum 1 weight 0.10000E+01 volume 0.10848E-02 ppm1 8.282 ppm2 1.285 CV 1
ASSI { 78}
(( segid "PAH " and resid 308 and name HG11))
(( segid "PAH " and resid 308 and name HN ))
2.400 0.700 0.700 peak 78 spectrum 1 weight 0.10000E+01 volume 0.36423E-02 ppm1 8.282 ppm2 1.182 CV 1
ASSI { 79}
( segid "PAH " and resid 308 and name HG2%)
(( segid "PAH " and resid 308 and name HN ))
3.900 1.900 1.900 peak 79 spectrum 1 weight 0.10000E+01 volume 0.92901E-03 ppm1 8.280 ppm2 0.886 CV 1
ASSI { 80}
(( segid "PAH " and resid 308 and name HG12))
(( segid "PAH " and resid 308 and name HN ))
3.700 1.700 1.700 peak 80 spectrum 1 weight 0.10000E+01 volume 0.17234E-02 ppm1 8.280 ppm2 0.650 CV 1
ASSI { 81}
( segid "PAH " and resid 308 and name HD1%)
(( segid "PAH " and resid 308 and name HN ))
4.000 2.000 2.000 peak 81 spectrum 1 weight 0.10000E+01 volume 0.10082E-02 ppm1 8.280 ppm2 0.491 CV 1
ASSI { 83}
(( segid "PAH " and resid 310 and name HN ))
(( segid "PAH " and resid 309 and name HN ))
2.700 0.900 0.900 peak 83 spectrum 1 weight 0.10000E+01 volume 0.27713E-02 ppm1 8.042 ppm2 8.355 CV 1
ASSI { 84}
(( segid "PAH " and resid 298 and name HA ))
(( segid "PAH " and resid 298 and name HN ))
3.200 1.300 1.300 peak 84 spectrum 1 weight 0.10000E+01 volume 0.12326E-02 ppm1 8.041 ppm2 4.620 CV 1
ASSI { 85}
(( segid "PAH " and resid 309 and name HA ))
(( segid "PAH " and resid 309 and name HN ))
2.700 0.900 0.900 peak 85 spectrum 1 weight 0.10000E+01 volume 0.32727E-02 ppm1 8.041 ppm2 4.430 CV 1
ASSI { 86}
(( segid "PAH " and resid 305 and name HA ))
(( segid "PAH " and resid 309 and name HN ))
3.800 1.800 1.800 peak 86 spectrum 1 weight 0.10000E+01 volume 0.52523E-03 ppm1 8.040 ppm2 4.332 CV 1
ASSI { 87}
(( segid "PAH " and resid 308 and name HA ))
(( segid "PAH " and resid 309 and name HN ))
3.500 1.500 1.500 peak 87 spectrum 1 weight 0.10000E+01 volume 0.74693E-03 ppm1 8.037 ppm2 3.474 CV 1
ASSI { 88}
(( segid "PAH " and resid 309 and name HB1 ))
(( segid "PAH " and resid 309 and name HN ))
2.600 0.900 0.900 peak 88 spectrum 1 weight 0.10000E+01 volume 0.47244E-02 ppm1 8.042 ppm2 3.011 CV 1
ASSI { 89}
(( segid "PAH " and resid 309 and name HB2 ))
(( segid "PAH " and resid 309 and name HN ))
2.700 0.900 0.900 peak 89 spectrum 1 weight 0.10000E+01 volume 0.25681E-02 ppm1 8.040 ppm2 2.871 CV 1
ASSI { 90}
(( segid "PAH " and resid 308 and name HB ))
(( segid "PAH " and resid 309 and name HN ))
2.600 0.800 0.800 peak 90 spectrum 1 weight 0.10000E+01 volume 0.36950E-02 ppm1 8.042 ppm2 1.791 CV 1
ASSI { 91}
( segid "PAH " and resid 308 and name HG2%)
(( segid "PAH " and resid 309 and name HN ))
3.200 1.300 1.300 peak 91 spectrum 1 weight 0.10000E+01 volume 0.15836E-02 ppm1 8.042 ppm2 0.893 CV 1
ASSI { 92}
(( segid "PAH " and resid 311 and name HN ))
(( segid "PAH " and resid 310 and name HN ))
2.900 1.000 1.000 peak 92 spectrum 1 weight 0.10000E+01 volume 0.18871E-02 ppm1 8.352 ppm2 8.519 CV 1
ASSI { 94}
( segid "PAH " and resid 310 and name HD% )
(( segid "PAH " and resid 310 and name HN ))
4.400 2.400 1.600 peak 94 spectrum 1 weight 0.10000E+01 volume 0.56745E-03 ppm1 8.355 ppm2 6.954 CV 1
ASSI { 96}
(( segid "PAH " and resid 307 and name HA ))
(( segid "PAH " and resid 310 and name HN ))
3.400 1.400 1.400 peak 96 spectrum 1 weight 0.10000E+01 volume 0.84194E-03 ppm1 8.352 ppm2 4.150 CV 1
ASSI { 97}
(( segid "PAH " and resid 310 and name HB1 ))
(( segid "PAH " and resid 310 and name HN ))
2.500 0.800 0.800 peak 97 spectrum 1 weight 0.10000E+01 volume 0.38271E-02 ppm1 8.355 ppm2 3.365 CV 1
ASSI { 98}
(( segid "PAH " and resid 309 and name HB1 ))
(( segid "PAH " and resid 310 and name HN ))
3.000 1.100 1.100 peak 98 spectrum 1 weight 0.10000E+01 volume 0.13856E-02 ppm1 8.355 ppm2 3.016 CV 1
ASSI { 101}
(( segid "PAH " and resid 309 and name HN ))
(( segid "PAH " and resid 311 and name HN ))
3.900 1.900 1.900 peak 101 spectrum 1 weight 0.10000E+01 volume 0.49883E-03 ppm1 8.527 ppm2 8.023 CV 1
ASSI { 102}
( segid "PAH " and resid 310 and name HD% )
(( segid "PAH " and resid 311 and name HN ))
3.700 1.700 1.700 peak 102 spectrum 1 weight 0.10000E+01 volume 0.63344E-03 ppm1 8.520 ppm2 6.954 CV 1
ASSI { 103}
(( segid "PAH " and resid 310 and name HA ))
(( segid "PAH " and resid 311 and name HN ))
3.400 1.400 1.400 peak 103 spectrum 1 weight 0.10000E+01 volume 0.94749E-03 ppm1 8.523 ppm2 4.436 CV 1
ASSI { 105}
(( segid "PAH " and resid 308 and name HA ))
(( segid "PAH " and resid 311 and name HN ))
3.200 1.300 1.300 peak 105 spectrum 1 weight 0.10000E+01 volume 0.98182E-03 ppm1 8.523 ppm2 3.479 CV 1
ASSI { 107}
(( segid "PAH " and resid 310 and name HB2 ))
(( segid "PAH " and resid 311 and name HN ))
3.500 1.500 1.500 peak 107 spectrum 1 weight 0.10000E+01 volume 0.26657E-02 ppm1 8.520 ppm2 2.912 CV 1
ASSI { 108}
(( segid "PAH " and resid 311 and name HB ))
(( segid "PAH " and resid 311 and name HN ))
2.500 0.800 0.800 peak 108 spectrum 1 weight 0.10000E+01 volume 0.44868E-02 ppm1 8.523 ppm2 2.086 CV 1
ASSI { 109}
( segid "PAH " and resid 311 and name HG1%)
(( segid "PAH " and resid 311 and name HN ))
3.000 1.100 1.100 peak 109 spectrum 1 weight 0.10000E+01 volume 0.54370E-02 ppm1 8.523 ppm2 1.215 CV 1
ASSI { 110}
( segid "PAH " and resid 311 and name HG2%)
(( segid "PAH " and resid 311 and name HN ))
2.900 1.000 1.000 peak 110 spectrum 1 weight 0.10000E+01 volume 0.15625E-02 ppm1 8.523 ppm2 1.133 CV 1
ASSI { 111}
(( segid "PAH " and resid 313 and name HN ))
(( segid "PAH " and resid 312 and name HN ))
2.700 0.900 0.900 peak 111 spectrum 1 weight 0.10000E+01 volume 0.23939E-02 ppm1 8.480 ppm2 7.806 CV 1
ASSI { 113}
(( segid "PAH " and resid 312 and name HA ))
(( segid "PAH " and resid 312 and name HN ))
2.800 1.000 1.000 peak 113 spectrum 1 weight 0.10000E+01 volume 0.24282E-02 ppm1 8.473 ppm2 4.354 CV 1
ASSI { 114}
(( segid "PAH " and resid 308 and name HA ))
(( segid "PAH " and resid 312 and name HN ))
4.300 2.300 1.700 peak 114 spectrum 1 weight 0.10000E+01 volume 0.19901E-03 ppm1 8.482 ppm2 3.470 CV 1
ASSI { 116}
(( segid "PAH " and resid 312 and name HB1 ))
(( segid "PAH " and resid 312 and name HN ))
2.400 0.700 0.700 peak 116 spectrum 1 weight 0.10000E+01 volume 0.57273E-02 ppm1 8.479 ppm2 2.854 CV 1
ASSI { 117}
(( segid "PAH " and resid 312 and name HB2 ))
(( segid "PAH " and resid 312 and name HN ))
2.700 0.900 0.900 peak 117 spectrum 1 weight 0.10000E+01 volume 0.28769E-02 ppm1 8.479 ppm2 2.703 CV 1
ASSI { 118}
(( segid "PAH " and resid 311 and name HB ))
(( segid "PAH " and resid 312 and name HN ))
2.700 0.900 0.900 peak 118 spectrum 1 weight 0.10000E+01 volume 0.23279E-02 ppm1 8.476 ppm2 2.077 CV 1
ASSI { 119}
( segid "PAH " and resid 311 and name HG1%)
(( segid "PAH " and resid 312 and name HN ))
3.800 1.800 1.800 peak 119 spectrum 1 weight 0.10000E+01 volume 0.60705E-03 ppm1 8.479 ppm2 1.218 CV 1
ASSI { 120}
( segid "PAH " and resid 311 and name HG2%)
(( segid "PAH " and resid 312 and name HN ))
3.900 1.900 1.900 peak 120 spectrum 1 weight 0.10000E+01 volume 0.94749E-03 ppm1 8.478 ppm2 1.145 CV 1
ASSI { 126}
(( segid "PAH " and resid 312 and name HB1 ))
(( segid "PAH " and resid 313 and name HN ))
2.900 1.100 1.100 peak 126 spectrum 1 weight 0.10000E+01 volume 0.15255E-02 ppm1 7.812 ppm2 2.856 CV 1
ASSI { 127}
(( segid "PAH " and resid 312 and name HB2 ))
(( segid "PAH " and resid 313 and name HN ))
3.500 1.500 1.500 peak 127 spectrum 1 weight 0.10000E+01 volume 0.18370E-02 ppm1 7.811 ppm2 2.712 CV 1
ASSI { 129}
(( segid "PAH " and resid 313 and name HB2 ))
(( segid "PAH " and resid 313 and name HN ))
2.200 0.600 0.600 peak 129 spectrum 1 weight 0.10000E+01 volume 0.10848E-01 ppm1 7.811 ppm2 1.960 CV 1
OR { 129}
(( segid "PAH " and resid 313 and name HB1 ))
(( segid "PAH " and resid 313 and name HN ))
ASSI { 131}
(( segid "PAH " and resid 315 and name HN ))
(( segid "PAH " and resid 314 and name HN ))
2.700 0.900 0.900 peak 131 spectrum 1 weight 0.10000E+01 volume 0.22408E-02 ppm1 7.708 ppm2 8.351 CV 1
ASSI { 132}
(( segid "PAH " and resid 313 and name HA ))
(( segid "PAH " and resid 314 and name HN ))
3.700 1.700 1.700 peak 132 spectrum 1 weight 0.10000E+01 volume 0.50939E-03 ppm1 7.711 ppm2 3.942 CV 1
ASSI { 134}
(( segid "PAH " and resid 314 and name HA ))
(( segid "PAH " and resid 314 and name HN ))
2.900 1.100 1.100 peak 134 spectrum 1 weight 0.10000E+01 volume 0.18132E-02 ppm1 7.708 ppm2 3.143 CV 1
ASSI { 135}
(( segid "PAH " and resid 314 and name HB ))
(( segid "PAH " and resid 314 and name HN ))
2.400 0.700 0.700 peak 135 spectrum 1 weight 0.10000E+01 volume 0.58857E-02 ppm1 7.705 ppm2 1.832 CV 1
ASSI { 137}
(( segid "PAH " and resid 314 and name HG11))
(( segid "PAH " and resid 314 and name HN ))
2.200 0.600 0.600 peak 137 spectrum 1 weight 0.10000E+01 volume 0.48564E-02 ppm1 7.708 ppm2 1.115 CV 1
ASSI { 138}
( segid "PAH " and resid 314 and name HG2%)
(( segid "PAH " and resid 314 and name HN ))
3.800 1.800 1.800 peak 138 spectrum 1 weight 0.10000E+01 volume 0.11112E-02 ppm1 7.710 ppm2 0.766 CV 1
ASSI { 139}
(( segid "PAH " and resid 314 and name HG12))
(( segid "PAH " and resid 314 and name HN ))
3.600 1.600 1.600 peak 139 spectrum 1 weight 0.10000E+01 volume 0.21458E-02 ppm1 7.708 ppm2 0.326 CV 1
ASSI { 140}
( segid "PAH " and resid 314 and name HD1%)
(( segid "PAH " and resid 314 and name HN ))
4.200 2.200 1.800 peak 140 spectrum 1 weight 0.10000E+01 volume 0.76541E-03 ppm1 7.708 ppm2 0.050 CV 1
ASSI { 142}
(( segid "PAH " and resid 316 and name HN ))
(( segid "PAH " and resid 315 and name HN ))
2.700 0.900 0.900 peak 142 spectrum 1 weight 0.10000E+01 volume 0.30352E-02 ppm1 8.347 ppm2 8.105 CV 1
ASSI { 145}
( segid "PAH " and resid 325 and name HE% )
(( segid "PAH " and resid 315 and name HN ))
3.600 1.700 1.700 peak 145 spectrum 1 weight 0.10000E+01 volume 0.58857E-03 ppm1 8.344 ppm2 6.750 CV 1
ASSI { 146}
(( segid "PAH " and resid 312 and name HA ))
(( segid "PAH " and resid 315 and name HN ))
3.200 1.300 1.300 peak 146 spectrum 1 weight 0.10000E+01 volume 0.13117E-02 ppm1 8.349 ppm2 4.350 CV 1
ASSI { 148}
(( segid "PAH " and resid 311 and name HA ))
(( segid "PAH " and resid 315 and name HN ))
4.100 2.100 1.900 peak 148 spectrum 1 weight 0.10000E+01 volume 0.30088E-03 ppm1 8.344 ppm2 3.389 CV 1
ASSI { 150}
(( segid "PAH " and resid 314 and name HB ))
(( segid "PAH " and resid 315 and name HN ))
2.500 0.800 0.800 peak 150 spectrum 1 weight 0.10000E+01 volume 0.37742E-02 ppm1 8.346 ppm2 1.832 CV 1
ASSI { 151}
(( segid "PAH " and resid 315 and name HB1 ))
(( segid "PAH " and resid 315 and name HN ))
2.700 0.900 0.900 peak 151 spectrum 1 weight 0.10000E+01 volume 0.28769E-02 ppm1 8.346 ppm2 1.601 CV 1
ASSI { 152}
(( segid "PAH " and resid 315 and name HB2 ))
(( segid "PAH " and resid 315 and name HN ))
2.500 0.800 0.800 peak 152 spectrum 1 weight 0.10000E+01 volume 0.39853E-02 ppm1 8.346 ppm2 1.342 CV 1
ASSI { 153}
(( segid "PAH " and resid 315 and name HD2 ))
(( segid "PAH " and resid 315 and name HN ))
4.300 2.300 1.700 peak 153 spectrum 1 weight 0.10000E+01 volume 0.68358E-03 ppm1 8.352 ppm2 1.433 CV 1
OR { 153}
(( segid "PAH " and resid 315 and name HD1 ))
(( segid "PAH " and resid 315 and name HN ))
ASSI { 154}
(( segid "PAH " and resid 314 and name HG11))
(( segid "PAH " and resid 315 and name HN ))
4.000 2.000 2.000 peak 154 spectrum 1 weight 0.10000E+01 volume 0.77596E-03 ppm1 8.348 ppm2 1.133 CV 1
ASSI { 155}
( segid "PAH " and resid 314 and name HG2%)
(( segid "PAH " and resid 315 and name HN ))
3.500 1.500 1.500 peak 155 spectrum 1 weight 0.10000E+01 volume 0.10293E-02 ppm1 8.347 ppm2 0.771 CV 1
ASSI { 156}
(( segid "PAH " and resid 315 and name HG1 ))
(( segid "PAH " and resid 315 and name HN ))
4.000 2.000 2.000 peak 156 spectrum 1 weight 0.10000E+01 volume 0.94225E-03 ppm1 8.347 ppm2 0.687 CV 1
OR { 156}
(( segid "PAH " and resid 315 and name HG2 ))
(( segid "PAH " and resid 315 and name HN ))
ASSI { 158}
( segid "PAH " and resid 314 and name HD1%)
(( segid "PAH " and resid 315 and name HN ))
5.300 3.500 0.700 peak 158 spectrum 1 weight 0.10000E+01 volume 0.18027E-03 ppm1 8.356 ppm2 0.051 CV 1
ASSI { 162}
(( segid "PAH " and resid 318 and name HN ))
(( segid "PAH " and resid 316 and name HN ))
4.500 2.500 1.500 peak 162 spectrum 1 weight 0.10000E+01 volume 0.17974E-03 ppm1 8.098 ppm2 7.323 CV 1
ASSI { 163}
(( segid "PAH " and resid 316 and name HA ))
(( segid "PAH " and resid 316 and name HN ))
2.700 0.900 0.900 peak 163 spectrum 1 weight 0.10000E+01 volume 0.34047E-02 ppm1 8.099 ppm2 4.350 CV 1
ASSI { 164}
(( segid "PAH " and resid 313 and name HA ))
(( segid "PAH " and resid 316 and name HN ))
3.300 1.300 1.300 peak 164 spectrum 1 weight 0.10000E+01 volume 0.10426E-02 ppm1 8.099 ppm2 3.946 CV 1
ASSI { 166}
(( segid "PAH " and resid 316 and name HB1 ))
(( segid "PAH " and resid 316 and name HN ))
2.400 0.700 0.700 peak 166 spectrum 1 weight 0.10000E+01 volume 0.64135E-02 ppm1 8.099 ppm2 2.753 CV 1
ASSI { 167}
(( segid "PAH " and resid 316 and name HB2 ))
(( segid "PAH " and resid 316 and name HN ))
2.700 0.900 0.900 peak 167 spectrum 1 weight 0.10000E+01 volume 0.31144E-02 ppm1 8.099 ppm2 2.617 CV 1
ASSI { 168}
(( segid "PAH " and resid 315 and name HB1 ))
(( segid "PAH " and resid 316 and name HN ))
2.600 0.800 0.800 peak 168 spectrum 1 weight 0.10000E+01 volume 0.31936E-02 ppm1 8.102 ppm2 1.601 CV 1
ASSI { 169}
(( segid "PAH " and resid 315 and name HB2 ))
(( segid "PAH " and resid 316 and name HN ))
3.800 1.800 1.800 peak 169 spectrum 1 weight 0.10000E+01 volume 0.11560E-02 ppm1 8.102 ppm2 1.337 CV 1
ASSI { 170}
(( segid "PAH " and resid 315 and name HG2 ))
(( segid "PAH " and resid 316 and name HN ))
3.900 1.900 1.900 peak 170 spectrum 1 weight 0.10000E+01 volume 0.54106E-03 ppm1 8.094 ppm2 0.687 CV 1
OR { 170}
(( segid "PAH " and resid 315 and name HG1 ))
(( segid "PAH " and resid 316 and name HN ))
ASSI { 172}
(( segid "PAH " and resid 316 and name HA ))
(( segid "PAH " and resid 317 and name HN ))
4.000 2.000 2.000 peak 172 spectrum 1 weight 0.10000E+01 volume 0.35895E-03 ppm1 8.130 ppm2 4.339 CV 1
ASSI { 173}
(( segid "PAH " and resid 317 and name HA ))
(( segid "PAH " and resid 317 and name HN ))
2.800 1.000 1.000 peak 173 spectrum 1 weight 0.10000E+01 volume 0.24256E-02 ppm1 8.127 ppm2 3.833 CV 1
ASSI { 175}
(( segid "PAH " and resid 316 and name HB1 ))
(( segid "PAH " and resid 317 and name HN ))
3.000 1.100 1.100 peak 175 spectrum 1 weight 0.10000E+01 volume 0.13909E-02 ppm1 8.127 ppm2 2.748 CV 1
ASSI { 176}
(( segid "PAH " and resid 316 and name HB2 ))
(( segid "PAH " and resid 317 and name HN ))
3.600 1.700 1.700 peak 176 spectrum 1 weight 0.10000E+01 volume 0.12854E-02 ppm1 8.128 ppm2 2.616 CV 1
ASSI { 177}
(( segid "PAH " and resid 317 and name HB1 ))
(( segid "PAH " and resid 317 and name HN ))
2.700 0.900 0.900 peak 177 spectrum 1 weight 0.10000E+01 volume 0.45661E-02 ppm1 8.128 ppm2 1.638 CV 1
ASSI { 178}
(( segid "PAH " and resid 317 and name HB2 ))
(( segid "PAH " and resid 317 and name HN ))
2.500 0.800 0.800 peak 178 spectrum 1 weight 0.10000E+01 volume 0.35367E-02 ppm1 8.127 ppm2 1.163 CV 1
ASSI { 179}
(( segid "PAH " and resid 317 and name HG2 ))
(( segid "PAH " and resid 317 and name HN ))
4.000 2.000 2.000 peak 179 spectrum 1 weight 0.10000E+01 volume 0.32992E-03 ppm1 8.122 ppm2 0.507 CV 1
ASSI { 180}
(( segid "PAH " and resid 317 and name HG1 ))
(( segid "PAH " and resid 317 and name HN ))
4.100 2.100 1.900 peak 180 spectrum 1 weight 0.10000E+01 volume 0.52523E-03 ppm1 8.124 ppm2 0.952 CV 1
ASSI { 181}
(( segid "PAH " and resid 317 and name HN ))
(( segid "PAH " and resid 318 and name HN ))
2.700 0.900 0.900 peak 181 spectrum 1 weight 0.10000E+01 volume 0.28505E-02 ppm1 7.323 ppm2 8.124 CV 1
ASSI { 184}
(( segid "PAH " and resid 318 and name HA ))
(( segid "PAH " and resid 318 and name HN ))
2.900 1.100 1.100 peak 184 spectrum 1 weight 0.10000E+01 volume 0.19821E-02 ppm1 7.325 ppm2 4.894 CV 1
ASSI { 185}
(( segid "PAH " and resid 316 and name HA ))
(( segid "PAH " and resid 318 and name HN ))
3.800 1.800 1.800 peak 185 spectrum 1 weight 0.10000E+01 volume 0.53578E-03 ppm1 7.328 ppm2 4.345 CV 1
ASSI { 186}
(( segid "PAH " and resid 318 and name HB1 ))
(( segid "PAH " and resid 318 and name HN ))
3.800 1.800 1.800 peak 186 spectrum 1 weight 0.10000E+01 volume 0.13671E-02 ppm1 7.325 ppm2 3.892 CV 1
ASSI { 187}
(( segid "PAH " and resid 317 and name HA ))
(( segid "PAH " and resid 318 and name HN ))
3.100 1.200 1.200 peak 187 spectrum 1 weight 0.10000E+01 volume 0.16496E-02 ppm1 7.325 ppm2 3.823 CV 1
ASSI { 189}
(( segid "PAH " and resid 318 and name HB2 ))
(( segid "PAH " and resid 318 and name HN ))
2.500 0.800 0.800 peak 189 spectrum 1 weight 0.10000E+01 volume 0.34575E-02 ppm1 7.325 ppm2 2.444 CV 1
ASSI { 190}
(( segid "PAH " and resid 317 and name HB1 ))
(( segid "PAH " and resid 318 and name HN ))
3.100 1.200 1.200 peak 190 spectrum 1 weight 0.10000E+01 volume 0.11006E-02 ppm1 7.322 ppm2 1.637 CV 1
ASSI { 191}
(( segid "PAH " and resid 317 and name HB2 ))
(( segid "PAH " and resid 318 and name HN ))
3.100 1.200 1.200 peak 191 spectrum 1 weight 0.10000E+01 volume 0.18027E-02 ppm1 7.323 ppm2 1.156 CV 1
ASSI { 192}
( segid "PAH " and resid 314 and name HG2%)
(( segid "PAH " and resid 318 and name HN ))
4.000 2.000 2.000 peak 192 spectrum 1 weight 0.10000E+01 volume 0.43021E-03 ppm1 7.320 ppm2 0.757 CV 1
ASSI { 193}
(( segid "PAH " and resid 320 and name HN ))
(( segid "PAH " and resid 319 and name HN ))
3.100 1.200 1.200 peak 193 spectrum 1 weight 0.10000E+01 volume 0.12590E-02 ppm1 7.221 ppm2 8.887 CV 1
ASSI { 194}
(( segid "PAH " and resid 318 and name HN ))
(( segid "PAH " and resid 319 and name HN ))
3.000 1.100 1.100 peak 194 spectrum 1 weight 0.10000E+01 volume 0.17578E-02 ppm1 7.226 ppm2 7.335 CV 1
ASSI { 195}
(( segid "PAH " and resid 318 and name HA ))
(( segid "PAH " and resid 319 and name HN ))
2.900 1.000 1.000 peak 195 spectrum 1 weight 0.10000E+01 volume 0.21405E-02 ppm1 7.221 ppm2 4.890 CV 1
ASSI { 196}
(( segid "PAH " and resid 316 and name HA ))
(( segid "PAH " and resid 319 and name HN ))
3.400 1.400 1.400 peak 196 spectrum 1 weight 0.10000E+01 volume 0.10663E-02 ppm1 7.221 ppm2 4.341 CV 1
ASSI { 197}
(( segid "PAH " and resid 319 and name HA ))
(( segid "PAH " and resid 319 and name HN ))
2.600 0.900 0.900 peak 197 spectrum 1 weight 0.10000E+01 volume 0.40910E-02 ppm1 7.224 ppm2 4.064 CV 1
ASSI { 200}
(( segid "PAH " and resid 319 and name HB1 ))
(( segid "PAH " and resid 319 and name HN ))
2.400 0.700 0.700 peak 200 spectrum 1 weight 0.10000E+01 volume 0.52258E-02 ppm1 7.225 ppm2 2.257 CV 1
ASSI { 201}
(( segid "PAH " and resid 319 and name HB2 ))
(( segid "PAH " and resid 319 and name HN ))
2.500 0.800 0.800 peak 201 spectrum 1 weight 0.10000E+01 volume 0.43285E-02 ppm1 7.224 ppm2 2.099 CV 1
ASSI { 204}
(( segid "PAH " and resid 319 and name HA ))
(( segid "PAH " and resid 320 and name HN ))
3.100 1.200 1.200 peak 204 spectrum 1 weight 0.10000E+01 volume 0.15097E-02 ppm1 8.893 ppm2 4.059 CV 1
ASSI { 206}
(( segid "PAH " and resid 320 and name HA2 ))
(( segid "PAH " and resid 320 and name HN ))
2.900 1.100 1.100 peak 206 spectrum 1 weight 0.10000E+01 volume 0.33783E-02 ppm1 8.893 ppm2 3.846 CV 1
ASSI { 210}
(( segid "PAH " and resid 320 and name HN ))
(( segid "PAH " and resid 321 and name HN ))
2.700 0.900 0.900 peak 210 spectrum 1 weight 0.10000E+01 volume 0.28241E-02 ppm1 7.773 ppm2 8.889 CV 1
ASSI { 211}
( segid "PAH " and resid 318 and name HD% )
(( segid "PAH " and resid 321 and name HN ))
4.400 2.400 1.600 peak 211 spectrum 1 weight 0.10000E+01 volume 0.25892E-03 ppm1 7.772 ppm2 7.291 CV 1
OR { 211}
(( segid "PAH " and resid 318 and name HN ))
(( segid "PAH " and resid 321 and name HN ))
ASSI { 212}
(( segid "PAH " and resid 321 and name HA ))
(( segid "PAH " and resid 321 and name HN ))
2.600 0.800 0.800 peak 212 spectrum 1 weight 0.10000E+01 volume 0.37478E-02 ppm1 7.775 ppm2 4.933 CV 1
ASSI { 214}
(( segid "PAH " and resid 322 and name HA ))
(( segid "PAH " and resid 321 and name HN ))
3.500 1.600 1.600 peak 214 spectrum 1 weight 0.10000E+01 volume 0.65192E-03 ppm1 7.775 ppm2 4.481 CV 1
ASSI { 215}
(( segid "PAH " and resid 320 and name HA1 ))
(( segid "PAH " and resid 321 and name HN ))
3.200 1.300 1.300 peak 215 spectrum 1 weight 0.10000E+01 volume 0.11481E-02 ppm1 7.772 ppm2 4.205 CV 1
ASSI { 216}
(( segid "PAH " and resid 376 and name HB1 ))
(( segid "PAH " and resid 376 and name HN ))
3.400 1.400 1.400 peak 216 spectrum 1 weight 0.10000E+01 volume 0.72582E-03 ppm1 7.763 ppm2 4.054 CV 1
ASSI { 218}
(( segid "PAH " and resid 322 and name HD2 ))
(( segid "PAH " and resid 321 and name HN ))
3.400 1.500 1.500 peak 218 spectrum 1 weight 0.10000E+01 volume 0.21062E-02 ppm1 7.775 ppm2 3.474 CV 1
ASSI { 220}
(( segid "PAH " and resid 321 and name HB1 ))
(( segid "PAH " and resid 321 and name HN ))
2.900 1.100 1.100 peak 220 spectrum 1 weight 0.10000E+01 volume 0.30352E-02 ppm1 7.772 ppm2 2.363 CV 1
OR { 220}
(( segid "PAH " and resid 321 and name HG2 ))
(( segid "PAH " and resid 321 and name HN ))
ASSI { 221}
(( segid "PAH " and resid 321 and name HB2 ))
(( segid "PAH " and resid 321 and name HN ))
2.700 0.900 0.900 peak 221 spectrum 1 weight 0.10000E+01 volume 0.28505E-02 ppm1 7.772 ppm2 2.181 CV 1
ASSI { 222}
(( segid "PAH " and resid 324 and name HN ))
(( segid "PAH " and resid 323 and name HN ))
2.600 0.800 0.800 peak 222 spectrum 1 weight 0.10000E+01 volume 0.36159E-02 ppm1 9.044 ppm2 8.052 CV 1
ASSI { 223}
(( segid "PAH " and resid 326 and name HN ))
(( segid "PAH " and resid 323 and name HN ))
3.500 1.600 1.600 peak 223 spectrum 1 weight 0.10000E+01 volume 0.62816E-03 ppm1 9.041 ppm2 7.938 CV 1
ASSI { 224}
(( segid "PAH " and resid 321 and name HA ))
(( segid "PAH " and resid 323 and name HN ))
3.300 1.400 1.400 peak 224 spectrum 1 weight 0.10000E+01 volume 0.10716E-02 ppm1 9.038 ppm2 4.944 CV 1
ASSI { 225}
(( segid "PAH " and resid 322 and name HA ))
(( segid "PAH " and resid 323 and name HN ))
3.200 1.300 1.300 peak 225 spectrum 1 weight 0.10000E+01 volume 0.10478E-02 ppm1 9.041 ppm2 4.485 CV 1
ASSI { 226}
(( segid "PAH " and resid 323 and name HA ))
(( segid "PAH " and resid 323 and name HN ))
2.600 0.900 0.900 peak 226 spectrum 1 weight 0.10000E+01 volume 0.40118E-02 ppm1 9.039 ppm2 4.394 CV 1
ASSI { 227}
(( segid "PAH " and resid 322 and name HD1 ))
(( segid "PAH " and resid 323 and name HN ))
3.600 1.600 1.600 peak 227 spectrum 1 weight 0.10000E+01 volume 0.14516E-02 ppm1 9.038 ppm2 3.756 CV 1
ASSI { 228}
(( segid "PAH " and resid 322 and name HD2 ))
(( segid "PAH " and resid 323 and name HN ))
3.200 1.300 1.300 peak 228 spectrum 1 weight 0.10000E+01 volume 0.78913E-03 ppm1 9.039 ppm2 3.477 CV 1
ASSI { 229}
(( segid "PAH " and resid 323 and name HB1 ))
(( segid "PAH " and resid 323 and name HN ))
2.900 1.000 1.000 peak 229 spectrum 1 weight 0.10000E+01 volume 0.25997E-02 ppm1 9.039 ppm2 2.716 CV 1
ASSI { 230}
(( segid "PAH " and resid 323 and name HB2 ))
(( segid "PAH " and resid 323 and name HN ))
2.600 0.800 0.800 peak 230 spectrum 1 weight 0.10000E+01 volume 0.40910E-02 ppm1 9.038 ppm2 2.595 CV 1
ASSI { 232}
(( segid "PAH " and resid 321 and name HB1 ))
(( segid "PAH " and resid 323 and name HN ))
3.900 1.900 1.900 peak 232 spectrum 1 weight 0.10000E+01 volume 0.36423E-03 ppm1 9.038 ppm2 2.357 CV 1
OR { 232}
(( segid "PAH " and resid 321 and name HG2 ))
(( segid "PAH " and resid 323 and name HN ))
ASSI { 233}
(( segid "PAH " and resid 322 and name HB2 ))
(( segid "PAH " and resid 323 and name HN ))
3.200 1.300 1.300 peak 233 spectrum 1 weight 0.10000E+01 volume 0.20191E-02 ppm1 9.042 ppm2 2.155 CV 1
OR { 233}
(( segid "PAH " and resid 322 and name HG1 ))
(( segid "PAH " and resid 323 and name HN ))
ASSI { 234}
(( segid "PAH " and resid 322 and name HG2 ))
(( segid "PAH " and resid 323 and name HN ))
2.700 0.900 0.900 peak 234 spectrum 1 weight 0.10000E+01 volume 0.27185E-02 ppm1 9.041 ppm2 2.072 CV 1
ASSI { 235}
(( segid "PAH " and resid 324 and name HG11))
(( segid "PAH " and resid 323 and name HN ))
4.200 2.200 1.800 peak 235 spectrum 1 weight 0.10000E+01 volume 0.53842E-03 ppm1 9.041 ppm2 1.492 CV 1
ASSI { 236}
(( segid "PAH " and resid 324 and name HG12))
(( segid "PAH " and resid 323 and name HN ))
4.500 2.600 1.500 peak 236 spectrum 1 weight 0.10000E+01 volume 0.29033E-03 ppm1 9.040 ppm2 1.172 CV 1
ASSI { 239}
(( segid "PAH " and resid 325 and name HN ))
(( segid "PAH " and resid 324 and name HN ))
2.600 0.800 0.800 peak 239 spectrum 1 weight 0.10000E+01 volume 0.35895E-02 ppm1 8.052 ppm2 6.990 CV 1
ASSI { 240}
(( segid "PAH " and resid 321 and name HA ))
(( segid "PAH " and resid 324 and name HN ))
5.300 3.500 0.700 peak 240 spectrum 1 weight 0.10000E+01 volume 0.89737E-04 ppm1 8.052 ppm2 4.942 CV 1
ASSI { 241}
(( segid "PAH " and resid 322 and name HA ))
(( segid "PAH " and resid 324 and name HN ))
3.600 1.600 1.600 peak 241 spectrum 1 weight 0.10000E+01 volume 0.61760E-03 ppm1 8.053 ppm2 4.482 CV 1
ASSI { 243}
(( segid "PAH " and resid 324 and name HA ))
(( segid "PAH " and resid 324 and name HN ))
2.700 0.900 0.900 peak 243 spectrum 1 weight 0.10000E+01 volume 0.28241E-02 ppm1 8.048 ppm2 3.694 CV 1
ASSI { 244}
(( segid "PAH " and resid 325 and name HB2 ))
(( segid "PAH " and resid 324 and name HN ))
4.100 2.100 1.900 peak 244 spectrum 1 weight 0.10000E+01 volume 0.67039E-03 ppm1 8.052 ppm2 3.107 CV 1
ASSI { 245}
(( segid "PAH " and resid 323 and name HB1 ))
(( segid "PAH " and resid 324 and name HN ))
4.000 2.000 2.000 peak 245 spectrum 1 weight 0.10000E+01 volume 0.28241E-03 ppm1 8.055 ppm2 2.713 CV 1
ASSI { 246}
(( segid "PAH " and resid 323 and name HB2 ))
(( segid "PAH " and resid 324 and name HN ))
3.500 1.500 1.500 peak 246 spectrum 1 weight 0.10000E+01 volume 0.11085E-02 ppm1 8.053 ppm2 2.589 CV 1
ASSI { 248}
(( segid "PAH " and resid 321 and name HB1 ))
(( segid "PAH " and resid 324 and name HN ))
3.000 1.100 1.100 peak 248 spectrum 1 weight 0.10000E+01 volume 0.15361E-02 ppm1 8.047 ppm2 2.358 CV 1
ASSI { 251}
(( segid "PAH " and resid 324 and name HB ))
(( segid "PAH " and resid 324 and name HN ))
2.400 0.700 0.700 peak 251 spectrum 1 weight 0.10000E+01 volume 0.59121E-02 ppm1 8.051 ppm2 1.593 CV 1
ASSI { 252}
(( segid "PAH " and resid 324 and name HG11))
(( segid "PAH " and resid 324 and name HN ))
2.900 1.100 1.100 peak 252 spectrum 1 weight 0.10000E+01 volume 0.45397E-02 ppm1 8.049 ppm2 1.502 CV 1
ASSI { 253}
(( segid "PAH " and resid 324 and name HG12))
(( segid "PAH " and resid 324 and name HN ))
2.500 2.500 3.500 peak 253 spectrum 1 weight 0.10000E+01 volume 0.30880E-02 ppm1 8.052 ppm2 1.194 CV 1
ASSI { 254}
( segid "PAH " and resid 324 and name HD1%)
(( segid "PAH " and resid 324 and name HN ))
3.800 1.800 1.800 peak 254 spectrum 1 weight 0.10000E+01 volume 0.72318E-03 ppm1 8.048 ppm2 0.767 CV 1
ASSI { 255}
( segid "PAH " and resid 324 and name HG2%)
(( segid "PAH " and resid 324 and name HN ))
3.900 1.900 1.900 peak 255 spectrum 1 weight 0.10000E+01 volume 0.10373E-02 ppm1 8.052 ppm2 -0.014 CV 1
ASSI { 257}
(( segid "PAH " and resid 326 and name HN ))
(( segid "PAH " and resid 325 and name HN ))
2.600 0.800 0.800 peak 257 spectrum 1 weight 0.10000E+01 volume 0.39062E-02 ppm1 6.986 ppm2 7.934 CV 1
ASSI { 258}
(( segid "PAH " and resid 322 and name HA ))
(( segid "PAH " and resid 325 and name HN ))
3.200 1.300 1.300 peak 258 spectrum 1 weight 0.10000E+01 volume 0.10742E-02 ppm1 6.989 ppm2 4.472 CV 1
ASSI { 259}
(( segid "PAH " and resid 325 and name HA ))
(( segid "PAH " and resid 325 and name HN ))
2.900 1.000 1.000 peak 259 spectrum 1 weight 0.10000E+01 volume 0.21194E-02 ppm1 6.986 ppm2 4.165 CV 1
ASSI { 260}
(( segid "PAH " and resid 318 and name HB1 ))
(( segid "PAH " and resid 325 and name HN ))
3.500 1.600 1.600 peak 260 spectrum 1 weight 0.10000E+01 volume 0.73900E-03 ppm1 6.987 ppm2 3.854 CV 1
ASSI { 261}
(( segid "PAH " and resid 324 and name HA ))
(( segid "PAH " and resid 325 and name HN ))
3.400 1.400 1.400 peak 261 spectrum 1 weight 0.10000E+01 volume 0.10082E-02 ppm1 6.986 ppm2 3.692 CV 1
ASSI { 262}
(( segid "PAH " and resid 325 and name HB1 ))
(( segid "PAH " and resid 325 and name HN ))
2.300 0.600 0.600 peak 262 spectrum 1 weight 0.10000E+01 volume 0.76803E-02 ppm1 6.987 ppm2 3.123 CV 1
OR { 262}
(( segid "PAH " and resid 325 and name HB2 ))
(( segid "PAH " and resid 325 and name HN ))
ASSI { 265}
(( segid "PAH " and resid 326 and name HB1 ))
(( segid "PAH " and resid 325 and name HN ))
3.900 1.900 1.900 peak 265 spectrum 1 weight 0.10000E+01 volume 0.76279E-03 ppm1 6.981 ppm2 1.878 CV 1
OR { 265}
(( segid "PAH " and resid 326 and name HB2 ))
(( segid "PAH " and resid 325 and name HN ))
ASSI { 266}
(( segid "PAH " and resid 324 and name HB ))
(( segid "PAH " and resid 325 and name HN ))
2.600 0.900 0.900 peak 266 spectrum 1 weight 0.10000E+01 volume 0.28241E-02 ppm1 6.985 ppm2 1.588 CV 1
ASSI { 267}
(( segid "PAH " and resid 324 and name HG12))
(( segid "PAH " and resid 325 and name HN ))
4.200 2.200 1.800 peak 267 spectrum 1 weight 0.10000E+01 volume 0.54106E-03 ppm1 6.982 ppm2 1.193 CV 1
ASSI { 269}
( segid "PAH " and resid 324 and name HG2%)
(( segid "PAH " and resid 325 and name HN ))
3.800 1.800 1.800 peak 269 spectrum 1 weight 0.10000E+01 volume 0.73108E-03 ppm1 6.989 ppm2 -0.014 CV 1
ASSI { 272}
(( segid "PAH " and resid 323 and name HA ))
(( segid "PAH " and resid 326 and name HN ))
3.200 1.300 1.300 peak 272 spectrum 1 weight 0.10000E+01 volume 0.11825E-02 ppm1 7.937 ppm2 4.396 CV 1
ASSI { 273}
(( segid "PAH " and resid 325 and name HA ))
(( segid "PAH " and resid 326 and name HN ))
3.600 1.600 1.600 peak 273 spectrum 1 weight 0.10000E+01 volume 0.71262E-03 ppm1 7.930 ppm2 4.162 CV 1
ASSI { 274}
(( segid "PAH " and resid 326 and name HA ))
(( segid "PAH " and resid 326 and name HN ))
2.700 0.900 0.900 peak 274 spectrum 1 weight 0.10000E+01 volume 0.28505E-02 ppm1 7.939 ppm2 3.735 CV 1
ASSI { 275}
(( segid "PAH " and resid 325 and name HB2 ))
(( segid "PAH " and resid 326 and name HN ))
2.600 0.900 0.900 peak 275 spectrum 1 weight 0.10000E+01 volume 0.34047E-02 ppm1 7.937 ppm2 3.136 CV 1
OR { 275}
(( segid "PAH " and resid 325 and name HB1 ))
(( segid "PAH " and resid 326 and name HN ))
ASSI { 276}
(( segid "PAH " and resid 326 and name HB1 ))
(( segid "PAH " and resid 326 and name HN ))
2.300 0.700 0.700 peak 276 spectrum 1 weight 0.10000E+01 volume 0.76803E-02 ppm1 7.937 ppm2 1.872 CV 1
OR { 276}
(( segid "PAH " and resid 326 and name HB2 ))
(( segid "PAH " and resid 326 and name HN ))
ASSI { 278}
( segid "PAH " and resid 327 and name HB% )
(( segid "PAH " and resid 326 and name HN ))
4.100 2.100 1.900 peak 278 spectrum 1 weight 0.10000E+01 volume 0.65983E-03 ppm1 7.937 ppm2 1.508 CV 1
ASSI { 279}
(( segid "PAH " and resid 326 and name HG2 ))
(( segid "PAH " and resid 326 and name HN ))
3.500 1.500 1.500 peak 279 spectrum 1 weight 0.10000E+01 volume 0.85518E-03 ppm1 7.937 ppm2 1.428 CV 1
ASSI { 280}
(( segid "PAH " and resid 328 and name HN ))
(( segid "PAH " and resid 327 and name HN ))
2.800 1.000 1.000 peak 280 spectrum 1 weight 0.10000E+01 volume 0.24678E-02 ppm1 7.950 ppm2 8.119 CV 1
ASSI { 281}
(( segid "PAH " and resid 323 and name HA ))
(( segid "PAH " and resid 327 and name HN ))
3.800 1.800 1.800 peak 281 spectrum 1 weight 0.10000E+01 volume 0.43549E-03 ppm1 7.945 ppm2 4.396 CV 1
ASSI { 282}
(( segid "PAH " and resid 327 and name HA ))
(( segid "PAH " and resid 327 and name HN ))
2.500 0.800 0.800 peak 282 spectrum 1 weight 0.10000E+01 volume 0.49883E-02 ppm1 7.953 ppm2 4.099 CV 1
ASSI { 284}
(( segid "PAH " and resid 326 and name HB2 ))
(( segid "PAH " and resid 327 and name HN ))
2.500 0.800 0.800 peak 284 spectrum 1 weight 0.10000E+01 volume 0.53051E-02 ppm1 7.952 ppm2 1.877 CV 1
OR { 284}
(( segid "PAH " and resid 326 and name HB1 ))
(( segid "PAH " and resid 327 and name HN ))
ASSI { 285}
( segid "PAH " and resid 327 and name HB% )
(( segid "PAH " and resid 327 and name HN ))
2.200 0.600 0.600 peak 285 spectrum 1 weight 0.10000E+01 volume 0.12115E-01 ppm1 7.952 ppm2 1.526 CV 1
ASSI { 287}
(( segid "PAH " and resid 329 and name HN ))
(( segid "PAH " and resid 328 and name HN ))
2.800 1.000 1.000 peak 287 spectrum 1 weight 0.10000E+01 volume 0.22883E-02 ppm1 8.110 ppm2 7.730 CV 1
ASSI { 288}
( segid "PAH " and resid 328 and name HD% )
(( segid "PAH " and resid 328 and name HN ))
4.100 2.100 1.900 peak 288 spectrum 1 weight 0.10000E+01 volume 0.89475E-03 ppm1 8.109 ppm2 6.815 CV 1
ASSI { 290}
(( segid "PAH " and resid 325 and name HA ))
(( segid "PAH " and resid 328 and name HN ))
3.400 1.400 1.400 peak 290 spectrum 1 weight 0.10000E+01 volume 0.92901E-03 ppm1 8.112 ppm2 4.179 CV 1
ASSI { 294}
(( segid "PAH " and resid 328 and name HB1 ))
(( segid "PAH " and resid 328 and name HN ))
2.500 0.800 0.800 peak 294 spectrum 1 weight 0.10000E+01 volume 0.48827E-02 ppm1 8.109 ppm2 3.433 CV 1
ASSI { 295}
(( segid "PAH " and resid 328 and name HB2 ))
(( segid "PAH " and resid 328 and name HN ))
2.500 0.800 0.800 peak 295 spectrum 1 weight 0.10000E+01 volume 0.45661E-02 ppm1 8.109 ppm2 2.994 CV 1
ASSI { 296}
( segid "PAH " and resid 327 and name HB% )
(( segid "PAH " and resid 328 and name HN ))
2.700 0.900 0.900 peak 296 spectrum 1 weight 0.10000E+01 volume 0.33783E-02 ppm1 8.109 ppm2 1.525 CV 1
ASSI { 298}
( segid "PAH " and resid 328 and name HD% )
(( segid "PAH " and resid 329 and name HN ))
3.300 1.400 1.400 peak 298 spectrum 1 weight 0.10000E+01 volume 0.12932E-02 ppm1 7.722 ppm2 6.814 CV 1
ASSI { 299}
(( segid "PAH " and resid 325 and name HA ))
(( segid "PAH " and resid 329 and name HN ))
3.900 1.900 1.900 peak 299 spectrum 1 weight 0.10000E+01 volume 0.41965E-03 ppm1 7.726 ppm2 4.166 CV 1
ASSI { 301}
(( segid "PAH " and resid 328 and name HA ))
(( segid "PAH " and resid 329 and name HN ))
3.800 1.800 1.800 peak 301 spectrum 1 weight 0.10000E+01 volume 0.48564E-03 ppm1 7.726 ppm2 3.877 CV 1
ASSI { 302}
(( segid "PAH " and resid 326 and name HA ))
(( segid "PAH " and resid 329 and name HN ))
3.200 1.300 1.300 peak 302 spectrum 1 weight 0.10000E+01 volume 0.11217E-02 ppm1 7.726 ppm2 3.735 CV 1
ASSI { 304}
(( segid "PAH " and resid 328 and name HB2 ))
(( segid "PAH " and resid 329 and name HN ))
3.900 1.900 1.900 peak 304 spectrum 1 weight 0.10000E+01 volume 0.13434E-02 ppm1 7.725 ppm2 2.989 CV 1
ASSI { 305}
(( segid "PAH " and resid 330 and name HB2 ))
(( segid "PAH " and resid 329 and name HN ))
4.300 2.300 1.700 peak 305 spectrum 1 weight 0.10000E+01 volume 0.43549E-03 ppm1 7.726 ppm2 2.107 CV 1
OR { 305}
(( segid "PAH " and resid 330 and name HB1 ))
(( segid "PAH " and resid 329 and name HN ))
ASSI { 306}
(( segid "PAH " and resid 329 and name HB1 ))
(( segid "PAH " and resid 329 and name HN ))
3.100 1.200 1.200 peak 306 spectrum 1 weight 0.10000E+01 volume 0.36950E-02 ppm1 7.723 ppm2 1.747 CV 1
ASSI { 307}
(( segid "PAH " and resid 329 and name HG ))
(( segid "PAH " and resid 329 and name HN ))
2.300 0.700 0.700 peak 307 spectrum 1 weight 0.10000E+01 volume 0.54370E-02 ppm1 7.721 ppm2 1.339 CV 1
ASSI { 308}
(( segid "PAH " and resid 329 and name HB2 ))
(( segid "PAH " and resid 329 and name HN ))
2.900 1.000 1.000 peak 308 spectrum 1 weight 0.10000E+01 volume 0.15150E-02 ppm1 7.721 ppm2 1.091 CV 1
ASSI { 312}
( segid "PAH " and resid 329 and name HD2%)
(( segid "PAH " and resid 329 and name HN ))
3.300 1.400 1.400 peak 312 spectrum 1 weight 0.10000E+01 volume 0.21828E-02 ppm1 7.723 ppm2 0.611 CV 1
OR { 312}
( segid "PAH " and resid 329 and name HD1%)
(( segid "PAH " and resid 329 and name HN ))
ASSI { 313}
(( segid "PAH " and resid 331 and name HN ))
(( segid "PAH " and resid 330 and name HN ))
2.600 0.900 0.900 peak 313 spectrum 1 weight 0.10000E+01 volume 0.29824E-02 ppm1 8.134 ppm2 7.851 CV 1
ASSI { 314}
(( segid "PAH " and resid 329 and name HN ))
(( segid "PAH " and resid 330 and name HN ))
2.800 1.000 1.000 peak 314 spectrum 1 weight 0.10000E+01 volume 0.22434E-02 ppm1 8.134 ppm2 7.724 CV 1
ASSI { 319}
(( segid "PAH " and resid 330 and name HB2 ))
(( segid "PAH " and resid 330 and name HN ))
2.200 0.600 0.600 peak 319 spectrum 1 weight 0.10000E+01 volume 0.89737E-02 ppm1 8.132 ppm2 2.102 CV 1
OR { 319}
(( segid "PAH " and resid 330 and name HB1 ))
(( segid "PAH " and resid 330 and name HN ))
ASSI { 321}
(( segid "PAH " and resid 329 and name HG ))
(( segid "PAH " and resid 330 and name HN ))
5.100 3.200 0.900 peak 321 spectrum 1 weight 0.10000E+01 volume 0.19108E-03 ppm1 8.129 ppm2 1.324 CV 1
ASSI { 322}
(( segid "PAH " and resid 329 and name HB2 ))
(( segid "PAH " and resid 330 and name HN ))
3.100 1.200 1.200 peak 322 spectrum 1 weight 0.10000E+01 volume 0.97921E-03 ppm1 8.133 ppm2 1.083 CV 1
ASSI { 323}
( segid "PAH " and resid 329 and name HD1%)
(( segid "PAH " and resid 330 and name HN ))
4.300 2.300 1.700 peak 323 spectrum 1 weight 0.10000E+01 volume 0.62552E-03 ppm1 8.135 ppm2 0.613 CV 1
OR { 323}
( segid "PAH " and resid 329 and name HD2%)
(( segid "PAH " and resid 330 and name HN ))
ASSI { 327}
(( segid "PAH " and resid 328 and name HA ))
(( segid "PAH " and resid 331 and name HN ))
3.700 1.800 1.800 peak 327 spectrum 1 weight 0.10000E+01 volume 0.44868E-03 ppm1 7.857 ppm2 3.877 CV 1
ASSI { 328}
(( segid "PAH " and resid 331 and name HA ))
(( segid "PAH " and resid 331 and name HN ))
2.800 1.000 1.000 peak 328 spectrum 1 weight 0.10000E+01 volume 0.26393E-02 ppm1 7.854 ppm2 3.735 CV 1
ASSI { 330}
(( segid "PAH " and resid 330 and name HG1 ))
(( segid "PAH " and resid 331 and name HN ))
4.100 2.100 1.900 peak 330 spectrum 1 weight 0.10000E+01 volume 0.39590E-03 ppm1 7.852 ppm2 2.290 CV 1
OR { 330}
(( segid "PAH " and resid 330 and name HG2 ))
(( segid "PAH " and resid 331 and name HN ))
ASSI { 331}
(( segid "PAH " and resid 330 and name HB1 ))
(( segid "PAH " and resid 331 and name HN ))
2.700 0.900 0.900 peak 331 spectrum 1 weight 0.10000E+01 volume 0.31672E-02 ppm1 7.860 ppm2 2.094 CV 1
OR { 331}
(( segid "PAH " and resid 330 and name HB2 ))
(( segid "PAH " and resid 331 and name HN ))
ASSI { 332}
(( segid "PAH " and resid 331 and name HG11))
(( segid "PAH " and resid 331 and name HN ))
2.000 0.500 0.500 peak 332 spectrum 1 weight 0.10000E+01 volume 0.11112E-01 ppm1 7.857 ppm2 1.774 CV 1
OR { 332}
(( segid "PAH " and resid 331 and name HB ))
(( segid "PAH " and resid 331 and name HN ))
ASSI { 333}
(( segid "PAH " and resid 331 and name HG12))
(( segid "PAH " and resid 331 and name HN ))
3.800 1.800 1.800 peak 333 spectrum 1 weight 0.10000E+01 volume 0.17367E-02 ppm1 7.857 ppm2 1.060 CV 1
ASSI { 334}
( segid "PAH " and resid 331 and name HG2%)
(( segid "PAH " and resid 331 and name HN ))
3.500 1.500 1.500 peak 334 spectrum 1 weight 0.10000E+01 volume 0.17736E-02 ppm1 7.857 ppm2 0.807 CV 1
ASSI { 335}
( segid "PAH " and resid 331 and name HD1%)
(( segid "PAH " and resid 331 and name HN ))
3.600 1.600 1.600 peak 335 spectrum 1 weight 0.10000E+01 volume 0.18291E-02 ppm1 7.857 ppm2 0.729 CV 1
ASSI { 337}
(( segid "PAH " and resid 333 and name HN ))
(( segid "PAH " and resid 332 and name HN ))
2.800 1.000 1.000 peak 337 spectrum 1 weight 0.10000E+01 volume 0.21379E-02 ppm1 7.227 ppm2 8.859 CV 1
ASSI { 338}
(( segid "PAH " and resid 331 and name HN ))
(( segid "PAH " and resid 332 and name HN ))
2.700 0.900 0.900 peak 338 spectrum 1 weight 0.10000E+01 volume 0.26657E-02 ppm1 7.224 ppm2 7.861 CV 1
ASSI { 339}
(( segid "PAH " and resid 332 and name HA ))
(( segid "PAH " and resid 332 and name HN ))
2.800 1.000 1.000 peak 339 spectrum 1 weight 0.10000E+01 volume 0.21326E-02 ppm1 7.230 ppm2 3.838 CV 1
ASSI { 340}
(( segid "PAH " and resid 331 and name HA ))
(( segid "PAH " and resid 332 and name HN ))
3.800 1.800 1.800 peak 340 spectrum 1 weight 0.10000E+01 volume 0.46980E-03 ppm1 7.233 ppm2 3.736 CV 1
ASSI { 341}
(( segid "PAH " and resid 329 and name HA ))
(( segid "PAH " and resid 332 and name HN ))
3.400 1.400 1.400 peak 341 spectrum 1 weight 0.10000E+01 volume 0.79182E-03 ppm1 7.227 ppm2 3.433 CV 1
ASSI { 342}
(( segid "PAH " and resid 331 and name HB ))
(( segid "PAH " and resid 332 and name HN ))
2.500 0.800 0.800 peak 342 spectrum 1 weight 0.10000E+01 volume 0.41437E-02 ppm1 7.227 ppm2 1.787 CV 1
ASSI { 343}
(( segid "PAH " and resid 332 and name HB1 ))
(( segid "PAH " and resid 332 and name HN ))
3.100 1.200 1.200 peak 343 spectrum 1 weight 0.10000E+01 volume 0.36159E-02 ppm1 7.227 ppm2 1.699 CV 1
ASSI { 344}
(( segid "PAH " and resid 332 and name HG ))
(( segid "PAH " and resid 332 and name HN ))
2.400 0.700 0.700 peak 344 spectrum 1 weight 0.10000E+01 volume 0.53578E-02 ppm1 7.227 ppm2 1.383 CV 1
ASSI { 345}
(( segid "PAH " and resid 332 and name HB2 ))
(( segid "PAH " and resid 332 and name HN ))
2.700 0.900 0.900 peak 345 spectrum 1 weight 0.10000E+01 volume 0.18871E-02 ppm1 7.227 ppm2 1.148 CV 1
ASSI { 346}
( segid "PAH " and resid 331 and name HG2%)
(( segid "PAH " and resid 332 and name HN ))
3.300 1.400 1.400 peak 346 spectrum 1 weight 0.10000E+01 volume 0.12748E-02 ppm1 7.227 ppm2 0.785 CV 1
ASSI { 348}
( segid "PAH " and resid 332 and name HD2%)
(( segid "PAH " and resid 332 and name HN ))
3.700 1.700 1.700 peak 348 spectrum 1 weight 0.10000E+01 volume 0.76010E-03 ppm1 7.224 ppm2 0.372 CV 1
ASSI { 349}
(( segid "PAH " and resid 334 and name HN ))
(( segid "PAH " and resid 333 and name HN ))
2.800 1.000 1.000 peak 349 spectrum 1 weight 0.10000E+01 volume 0.21854E-02 ppm1 8.854 ppm2 8.607 CV 1
ASSI { 351}
(( segid "PAH " and resid 333 and name HD2 ))
(( segid "PAH " and resid 333 and name HN ))
3.600 1.600 1.600 peak 351 spectrum 1 weight 0.10000E+01 volume 0.63871E-03 ppm1 8.856 ppm2 7.137 CV 1
ASSI { 352}
(( segid "PAH " and resid 333 and name HA ))
(( segid "PAH " and resid 333 and name HN ))
2.900 1.000 1.000 peak 352 spectrum 1 weight 0.10000E+01 volume 0.21246E-02 ppm1 8.855 ppm2 4.263 CV 1
ASSI { 353}
(( segid "PAH " and resid 330 and name HA ))
(( segid "PAH " and resid 333 and name HN ))
3.400 1.500 1.500 peak 353 spectrum 1 weight 0.10000E+01 volume 0.10188E-02 ppm1 8.857 ppm2 4.111 CV 1
ASSI { 354}
(( segid "PAH " and resid 332 and name HA ))
(( segid "PAH " and resid 333 and name HN ))
3.600 1.600 1.600 peak 354 spectrum 1 weight 0.10000E+01 volume 0.56481E-03 ppm1 8.854 ppm2 3.833 CV 1
ASSI { 355}
(( segid "PAH " and resid 329 and name HA ))
(( segid "PAH " and resid 333 and name HN ))
3.400 1.500 1.500 peak 355 spectrum 1 weight 0.10000E+01 volume 0.77334E-03 ppm1 8.858 ppm2 3.433 CV 1
ASSI { 356}
(( segid "PAH " and resid 333 and name HB1 ))
(( segid "PAH " and resid 333 and name HN ))
3.200 1.300 1.300 peak 356 spectrum 1 weight 0.10000E+01 volume 0.37742E-02 ppm1 8.856 ppm2 3.320 CV 1
ASSI { 357}
(( segid "PAH " and resid 333 and name HB2 ))
(( segid "PAH " and resid 333 and name HN ))
2.400 0.700 0.700 peak 357 spectrum 1 weight 0.10000E+01 volume 0.42229E-02 ppm1 8.856 ppm2 3.232 CV 1
ASSI { 358}
(( segid "PAH " and resid 332 and name HB1 ))
(( segid "PAH " and resid 333 and name HN ))
3.200 1.300 1.300 peak 358 spectrum 1 weight 0.10000E+01 volume 0.23622E-02 ppm1 8.858 ppm2 1.699 CV 1
ASSI { 359}
(( segid "PAH " and resid 332 and name HG ))
(( segid "PAH " and resid 333 and name HN ))
4.300 2.300 1.700 peak 359 spectrum 1 weight 0.10000E+01 volume 0.44340E-03 ppm1 8.852 ppm2 1.388 CV 1
ASSI { 360}
(( segid "PAH " and resid 332 and name HB2 ))
(( segid "PAH " and resid 333 and name HN ))
3.000 1.100 1.100 peak 360 spectrum 1 weight 0.10000E+01 volume 0.12246E-02 ppm1 8.852 ppm2 1.144 CV 1
ASSI { 363}
( segid "PAH " and resid 332 and name HD2%)
(( segid "PAH " and resid 333 and name HN ))
4.300 2.300 1.700 peak 363 spectrum 1 weight 0.10000E+01 volume 0.45397E-03 ppm1 8.860 ppm2 0.372 CV 1
ASSI { 365}
(( segid "PAH " and resid 335 and name HN ))
(( segid "PAH " and resid 334 and name HN ))
2.800 1.000 1.000 peak 365 spectrum 1 weight 0.10000E+01 volume 0.23094E-02 ppm1 8.611 ppm2 8.262 CV 1
ASSI { 366}
(( segid "PAH " and resid 334 and name HB ))
(( segid "PAH " and resid 334 and name HN ))
2.500 0.800 0.800 peak 366 spectrum 1 weight 0.10000E+01 volume 0.41701E-02 ppm1 8.610 ppm2 4.388 CV 1
ASSI { 367}
(( segid "PAH " and resid 333 and name HA ))
(( segid "PAH " and resid 334 and name HN ))
3.900 1.900 1.900 peak 367 spectrum 1 weight 0.10000E+01 volume 0.39590E-03 ppm1 8.608 ppm2 4.255 CV 1
ASSI { 369}
(( segid "PAH " and resid 334 and name HA ))
(( segid "PAH " and resid 334 and name HN ))
2.800 1.000 1.000 peak 369 spectrum 1 weight 0.10000E+01 volume 0.26314E-02 ppm1 8.608 ppm2 3.925 CV 1
ASSI { 370}
(( segid "PAH " and resid 331 and name HA ))
(( segid "PAH " and resid 334 and name HN ))
3.500 1.500 1.500 peak 370 spectrum 1 weight 0.10000E+01 volume 0.67039E-03 ppm1 8.611 ppm2 3.729 CV 1
ASSI { 371}
(( segid "PAH " and resid 333 and name HB1 ))
(( segid "PAH " and resid 334 and name HN ))
3.200 1.300 1.300 peak 371 spectrum 1 weight 0.10000E+01 volume 0.12854E-02 ppm1 8.609 ppm2 3.317 CV 1
ASSI { 372}
(( segid "PAH " and resid 333 and name HB2 ))
(( segid "PAH " and resid 334 and name HN ))
2.900 1.100 1.100 peak 372 spectrum 1 weight 0.10000E+01 volume 0.18106E-02 ppm1 8.609 ppm2 3.229 CV 1
ASSI { 373}
( segid "PAH " and resid 334 and name HG2%)
(( segid "PAH " and resid 334 and name HN ))
4.000 2.000 2.000 peak 373 spectrum 1 weight 0.10000E+01 volume 0.79975E-03 ppm1 8.609 ppm2 1.284 CV 1
ASSI { 375}
(( segid "PAH " and resid 336 and name HN ))
(( segid "PAH " and resid 335 and name HN ))
2.700 0.900 0.900 peak 375 spectrum 1 weight 0.10000E+01 volume 0.25681E-02 ppm1 8.261 ppm2 8.416 CV 1
ASSI { 376}
( segid "PAH " and resid 335 and name HD% )
(( segid "PAH " and resid 335 and name HN ))
4.100 2.100 1.900 peak 376 spectrum 1 weight 0.10000E+01 volume 0.77858E-03 ppm1 8.264 ppm2 6.939 CV 1
ASSI { 377}
(( segid "PAH " and resid 334 and name HB ))
(( segid "PAH " and resid 335 and name HN ))
2.800 1.000 1.000 peak 377 spectrum 1 weight 0.10000E+01 volume 0.22909E-02 ppm1 8.264 ppm2 4.392 CV 1
ASSI { 378}
(( segid "PAH " and resid 335 and name HA ))
(( segid "PAH " and resid 335 and name HN ))
3.000 1.200 1.200 peak 378 spectrum 1 weight 0.10000E+01 volume 0.15308E-02 ppm1 8.261 ppm2 4.073 CV 1
ASSI { 379}
(( segid "PAH " and resid 334 and name HA ))
(( segid "PAH " and resid 335 and name HN ))
3.600 1.600 1.600 peak 379 spectrum 1 weight 0.10000E+01 volume 0.71525E-03 ppm1 8.264 ppm2 3.919 CV 1
ASSI { 380}
(( segid "PAH " and resid 332 and name HA ))
(( segid "PAH " and resid 335 and name HN ))
3.400 1.500 1.500 peak 380 spectrum 1 weight 0.10000E+01 volume 0.87358E-03 ppm1 8.264 ppm2 3.842 CV 1
ASSI { 381}
(( segid "PAH " and resid 331 and name HA ))
(( segid "PAH " and resid 335 and name HN ))
4.000 2.000 2.000 peak 381 spectrum 1 weight 0.10000E+01 volume 0.34575E-03 ppm1 8.260 ppm2 3.729 CV 1
ASSI { 382}
(( segid "PAH " and resid 335 and name HB1 ))
(( segid "PAH " and resid 335 and name HN ))
2.500 0.800 0.800 peak 382 spectrum 1 weight 0.10000E+01 volume 0.42229E-02 ppm1 8.261 ppm2 3.234 CV 1
ASSI { 383}
(( segid "PAH " and resid 335 and name HB2 ))
(( segid "PAH " and resid 335 and name HN ))
2.600 0.800 0.800 peak 383 spectrum 1 weight 0.10000E+01 volume 0.37478E-02 ppm1 8.261 ppm2 2.981 CV 1
ASSI { 384}
( segid "PAH " and resid 334 and name HG2%)
(( segid "PAH " and resid 335 and name HN ))
3.800 1.800 1.800 peak 384 spectrum 1 weight 0.10000E+01 volume 0.70734E-03 ppm1 8.261 ppm2 1.281 CV 1
ASSI { 385}
( segid "PAH " and resid 353 and name HD1%)
(( segid "PAH " and resid 335 and name HN ))
2.900 1.000 1.000 peak 385 spectrum 1 weight 0.10000E+01 volume 0.12616E-02 ppm1 8.264 ppm2 0.922 CV 1
OR { 385}
( segid "PAH " and resid 353 and name HD2%)
(( segid "PAH " and resid 335 and name HN ))
ASSI { 386}
( segid "PAH " and resid 331 and name HG2%)
(( segid "PAH " and resid 335 and name HN ))
3.600 1.600 1.600 peak 386 spectrum 1 weight 0.10000E+01 volume 0.63344E-03 ppm1 8.263 ppm2 0.805 CV 1
ASSI { 388}
(( segid "PAH " and resid 337 and name HN ))
(( segid "PAH " and resid 336 and name HN ))
2.800 1.000 1.000 peak 388 spectrum 1 weight 0.10000E+01 volume 0.22989E-02 ppm1 8.425 ppm2 8.150 CV 1
ASSI { 389}
( segid "PAH " and resid 335 and name HD% )
(( segid "PAH " and resid 336 and name HN ))
3.200 1.300 1.300 peak 389 spectrum 1 weight 0.10000E+01 volume 0.13329E-02 ppm1 8.422 ppm2 6.947 CV 1
ASSI { 390}
(( segid "PAH " and resid 333 and name HA ))
(( segid "PAH " and resid 336 and name HN ))
3.300 1.400 1.400 peak 390 spectrum 1 weight 0.10000E+01 volume 0.98182E-03 ppm1 8.425 ppm2 4.257 CV 1
ASSI { 391}
(( segid "PAH " and resid 335 and name HA ))
(( segid "PAH " and resid 336 and name HN ))
4.200 2.200 1.800 peak 391 spectrum 1 weight 0.10000E+01 volume 0.25232E-03 ppm1 8.423 ppm2 4.072 CV 1
ASSI { 392}
(( segid "PAH " and resid 336 and name HA ))
(( segid "PAH " and resid 336 and name HN ))
2.700 0.900 0.900 peak 392 spectrum 1 weight 0.10000E+01 volume 0.28769E-02 ppm1 8.424 ppm2 3.885 CV 1
ASSI { 393}
(( segid "PAH " and resid 335 and name HB1 ))
(( segid "PAH " and resid 336 and name HN ))
2.600 0.900 0.900 peak 393 spectrum 1 weight 0.10000E+01 volume 0.24651E-02 ppm1 8.423 ppm2 3.229 CV 1
ASSI { 394}
(( segid "PAH " and resid 335 and name HB2 ))
(( segid "PAH " and resid 336 and name HN ))
4.100 2.100 1.900 peak 394 spectrum 1 weight 0.10000E+01 volume 0.97389E-03 ppm1 8.421 ppm2 2.979 CV 1
ASSI { 395}
(( segid "PAH " and resid 336 and name HG1 ))
(( segid "PAH " and resid 336 and name HN ))
4.000 2.000 2.000 peak 395 spectrum 1 weight 0.10000E+01 volume 0.82877E-03 ppm1 8.428 ppm2 2.415 CV 1
ASSI { 396}
(( segid "PAH " and resid 336 and name HG2 ))
(( segid "PAH " and resid 336 and name HN ))
3.700 1.700 1.700 peak 396 spectrum 1 weight 0.10000E+01 volume 0.11032E-02 ppm1 8.423 ppm2 2.316 CV 1
ASSI { 397}
(( segid "PAH " and resid 336 and name HB1 ))
(( segid "PAH " and resid 336 and name HN ))
2.300 0.700 0.700 peak 397 spectrum 1 weight 0.10000E+01 volume 0.72318E-02 ppm1 8.420 ppm2 2.164 CV 1
OR { 397}
(( segid "PAH " and resid 336 and name HB2 ))
(( segid "PAH " and resid 336 and name HN ))
ASSI { 399}
( segid "SID " and resid 9 and name HG2%)
(( segid "PAH " and resid 336 and name HN ))
3.800 1.800 1.800 peak 399 spectrum 1 weight 0.10000E+01 volume 0.42493E-03 ppm1 8.428 ppm2 0.966 CV 1
ASSI { 400}
( segid "SID " and resid 13 and name HD1%)
(( segid "PAH " and resid 336 and name HN ))
3.800 1.800 1.800 peak 400 spectrum 1 weight 0.10000E+01 volume 0.53314E-03 ppm1 8.420 ppm2 0.634 CV 1
ASSI { 402}
(( segid "PAH " and resid 338 and name HN ))
(( segid "PAH " and resid 337 and name HN ))
2.500 0.800 0.800 peak 402 spectrum 1 weight 0.10000E+01 volume 0.46452E-02 ppm1 8.157 ppm2 8.044 CV 1
ASSI { 404}
(( segid "PAH " and resid 336 and name HA ))
(( segid "PAH " and resid 337 and name HN ))
3.000 1.100 1.100 peak 404 spectrum 1 weight 0.10000E+01 volume 0.18660E-02 ppm1 8.156 ppm2 3.877 CV 1
ASSI { 405}
(( segid "PAH " and resid 333 and name HA ))
(( segid "PAH " and resid 337 and name HN ))
4.100 2.100 1.900 peak 405 spectrum 1 weight 0.10000E+01 volume 0.28241E-03 ppm1 8.159 ppm2 4.280 CV 1
ASSI { 407}
(( segid "PAH " and resid 336 and name HG2 ))
(( segid "PAH " and resid 337 and name HN ))
4.300 2.300 1.700 peak 407 spectrum 1 weight 0.10000E+01 volume 0.29824E-03 ppm1 8.157 ppm2 2.327 CV 1
ASSI { 408}
(( segid "PAH " and resid 336 and name HB2 ))
(( segid "PAH " and resid 337 and name HN ))
2.700 0.900 0.900 peak 408 spectrum 1 weight 0.10000E+01 volume 0.32727E-02 ppm1 8.156 ppm2 2.173 CV 1
OR { 408}
(( segid "PAH " and resid 336 and name HB1 ))
(( segid "PAH " and resid 337 and name HN ))
ASSI { 409}
(( segid "PAH " and resid 337 and name HB2 ))
(( segid "PAH " and resid 337 and name HN ))
2.200 0.600 0.600 peak 409 spectrum 1 weight 0.10000E+01 volume 0.90530E-02 ppm1 8.155 ppm2 1.965 CV 1
OR { 409}
(( segid "PAH " and resid 337 and name HB1 ))
(( segid "PAH " and resid 337 and name HN ))
ASSI { 410}
(( segid "PAH " and resid 337 and name HD2 ))
(( segid "PAH " and resid 337 and name HN ))
5.000 3.100 1.000 peak 410 spectrum 1 weight 0.10000E+01 volume 0.20032E-03 ppm1 8.154 ppm2 1.686 CV 1
OR { 410}
(( segid "PAH " and resid 337 and name HD1 ))
(( segid "PAH " and resid 337 and name HN ))
ASSI { 411}
(( segid "PAH " and resid 337 and name HG1 ))
(( segid "PAH " and resid 337 and name HN ))
3.800 1.800 1.800 peak 411 spectrum 1 weight 0.10000E+01 volume 0.69678E-03 ppm1 8.159 ppm2 1.553 CV 1
ASSI { 412}
(( segid "PAH " and resid 337 and name HG2 ))
(( segid "PAH " and resid 337 and name HN ))
4.600 2.600 1.400 peak 412 spectrum 1 weight 0.10000E+01 volume 0.27449E-03 ppm1 8.151 ppm2 1.415 CV 1
ASSI { 414}
(( segid "PAH " and resid 338 and name HG1 ))
(( segid "PAH " and resid 338 and name HN ))
2.900 1.000 1.000 peak 414 spectrum 1 weight 0.10000E+01 volume 0.35103E-02 ppm1 8.065 ppm2 2.484 CV 1
ASSI { 421}
(( segid "PAH " and resid 340 and name HA ))
(( segid "PAH " and resid 340 and name HN ))
2.700 0.900 0.900 peak 421 spectrum 1 weight 0.10000E+01 volume 0.30352E-02 ppm1 8.004 ppm2 4.050 CV 1
ASSI { 422}
(( segid "PAH " and resid 337 and name HA ))
(( segid "PAH " and resid 340 and name HN ))
3.200 1.300 1.300 peak 422 spectrum 1 weight 0.10000E+01 volume 0.11323E-02 ppm1 8.007 ppm2 3.953 CV 1
ASSI { 424}
(( segid "PAH " and resid 340 and name HD2 ))
(( segid "PAH " and resid 340 and name HN ))
5.800 4.200 0.200 peak 424 spectrum 1 weight 0.10000E+01 volume 0.72318E-04 ppm1 7.995 ppm2 3.163 CV 1
OR { 424}
(( segid "PAH " and resid 340 and name HD1 ))
(( segid "PAH " and resid 340 and name HN ))
ASSI { 425}
(( segid "PAH " and resid 339 and name HB1 ))
(( segid "PAH " and resid 340 and name HN ))
3.000 1.100 1.100 peak 425 spectrum 1 weight 0.10000E+01 volume 0.18343E-02 ppm1 8.004 ppm2 2.014 CV 1
ASSI { 427}
(( segid "PAH " and resid 340 and name HG1 ))
(( segid "PAH " and resid 340 and name HN ))
3.400 1.500 1.500 peak 427 spectrum 1 weight 0.10000E+01 volume 0.10531E-02 ppm1 8.001 ppm2 1.725 CV 1
ASSI { 428}
(( segid "PAH " and resid 340 and name HG2 ))
(( segid "PAH " and resid 340 and name HN ))
4.300 2.400 1.700 peak 428 spectrum 1 weight 0.10000E+01 volume 0.37478E-03 ppm1 8.001 ppm2 1.588 CV 1
ASSI { 429}
(( segid "PAH " and resid 340 and name HN ))
(( segid "PAH " and resid 341 and name HN ))
2.600 0.800 0.800 peak 429 spectrum 1 weight 0.10000E+01 volume 0.35895E-02 ppm1 8.292 ppm2 8.021 CV 1
ASSI { 430}
(( segid "PAH " and resid 342 and name HN ))
(( segid "PAH " and resid 341 and name HN ))
2.400 0.700 0.700 peak 430 spectrum 1 weight 0.10000E+01 volume 0.51203E-02 ppm1 8.292 ppm2 7.954 CV 1
ASSI { 431}
(( segid "PAH " and resid 341 and name HA ))
(( segid "PAH " and resid 341 and name HN ))
2.700 0.900 0.900 peak 431 spectrum 1 weight 0.10000E+01 volume 0.32463E-02 ppm1 8.292 ppm2 4.316 CV 1
ASSI { 432}
(( segid "PAH " and resid 338 and name HA ))
(( segid "PAH " and resid 341 and name HN ))
3.200 1.200 1.200 peak 432 spectrum 1 weight 0.10000E+01 volume 0.13223E-02 ppm1 8.292 ppm2 4.156 CV 1
ASSI { 433}
(( segid "PAH " and resid 340 and name HA ))
(( segid "PAH " and resid 341 and name HN ))
3.200 1.300 1.300 peak 433 spectrum 1 weight 0.10000E+01 volume 0.14015E-02 ppm1 8.290 ppm2 4.047 CV 1
ASSI { 435}
(( segid "PAH " and resid 341 and name HB1 ))
(( segid "PAH " and resid 341 and name HN ))
2.700 0.900 0.900 peak 435 spectrum 1 weight 0.10000E+01 volume 0.54898E-02 ppm1 8.292 ppm2 2.719 CV 1
ASSI { 436}
(( segid "PAH " and resid 341 and name HB2 ))
(( segid "PAH " and resid 341 and name HN ))
2.700 0.900 0.900 peak 436 spectrum 1 weight 0.10000E+01 volume 0.24123E-02 ppm1 8.292 ppm2 2.400 CV 1
ASSI { 437}
(( segid "PAH " and resid 340 and name HB1 ))
(( segid "PAH " and resid 341 and name HN ))
2.500 0.800 0.800 peak 437 spectrum 1 weight 0.10000E+01 volume 0.55426E-02 ppm1 8.292 ppm2 1.907 CV 1
OR { 437}
(( segid "PAH " and resid 340 and name HB2 ))
(( segid "PAH " and resid 341 and name HN ))
ASSI { 438}
(( segid "PAH " and resid 340 and name HG1 ))
(( segid "PAH " and resid 341 and name HN ))
4.200 2.200 1.800 peak 438 spectrum 1 weight 0.10000E+01 volume 0.32992E-03 ppm1 8.298 ppm2 1.705 CV 1
ASSI { 439}
(( segid "PAH " and resid 340 and name HG2 ))
(( segid "PAH " and resid 341 and name HN ))
3.700 1.700 1.700 peak 439 spectrum 1 weight 0.10000E+01 volume 0.70206E-03 ppm1 8.295 ppm2 1.589 CV 1
ASSI { 442}
(( segid "PAH " and resid 340 and name HD2 ))
(( segid "PAH " and resid 341 and name HN ))
3.500 1.600 1.600 peak 442 spectrum 1 weight 0.10000E+01 volume 0.36950E-03 ppm1 8.292 ppm2 3.167 CV 1
OR { 442}
(( segid "PAH " and resid 340 and name HD1 ))
(( segid "PAH " and resid 341 and name HN ))
ASSI { 443}
(( segid "PAH " and resid 343 and name HN ))
(( segid "PAH " and resid 341 and name HN ))
5.000 3.200 1.000 peak 443 spectrum 1 weight 0.10000E+01 volume 0.10162E-03 ppm1 8.287 ppm2 7.778 CV 1
ASSI { 445}
(( segid "PAH " and resid 343 and name HN ))
(( segid "PAH " and resid 342 and name HN ))
2.600 0.800 0.800 peak 445 spectrum 1 weight 0.10000E+01 volume 0.38006E-02 ppm1 7.950 ppm2 7.765 CV 1
ASSI { 446}
(( segid "PAH " and resid 341 and name HA ))
(( segid "PAH " and resid 342 and name HN ))
3.100 1.200 1.200 peak 446 spectrum 1 weight 0.10000E+01 volume 0.15018E-02 ppm1 7.945 ppm2 4.307 CV 1
ASSI { 447}
(( segid "PAH " and resid 342 and name HA ))
(( segid "PAH " and resid 342 and name HN ))
2.500 0.800 0.800 peak 447 spectrum 1 weight 0.10000E+01 volume 0.44868E-02 ppm1 7.945 ppm2 3.939 CV 1
ASSI { 448}
(( segid "PAH " and resid 341 and name HB1 ))
(( segid "PAH " and resid 342 and name HN ))
2.700 0.900 0.900 peak 448 spectrum 1 weight 0.10000E+01 volume 0.32200E-02 ppm1 7.948 ppm2 2.728 CV 1
ASSI { 449}
(( segid "PAH " and resid 341 and name HB2 ))
(( segid "PAH " and resid 342 and name HN ))
3.100 1.200 1.200 peak 449 spectrum 1 weight 0.10000E+01 volume 0.18396E-02 ppm1 7.945 ppm2 2.395 CV 1
ASSI { 450}
( segid "PAH " and resid 342 and name HB% )
(( segid "PAH " and resid 342 and name HN ))
2.200 0.600 0.600 peak 450 spectrum 1 weight 0.10000E+01 volume 0.11982E-01 ppm1 7.951 ppm2 1.452 CV 1
ASSI { 452}
(( segid "PAH " and resid 344 and name HN ))
(( segid "PAH " and resid 343 and name HN ))
2.600 0.800 0.800 peak 452 spectrum 1 weight 0.10000E+01 volume 0.37214E-02 ppm1 7.776 ppm2 8.039 CV 1
ASSI { 454}
(( segid "PAH " and resid 341 and name HA ))
(( segid "PAH " and resid 343 and name HN ))
5.300 3.500 0.700 peak 454 spectrum 1 weight 0.10000E+01 volume 0.72582E-04 ppm1 7.771 ppm2 4.323 CV 1
ASSI { 455}
(( segid "PAH " and resid 343 and name HA ))
(( segid "PAH " and resid 343 and name HN ))
2.600 0.900 0.900 peak 455 spectrum 1 weight 0.10000E+01 volume 0.40382E-02 ppm1 7.772 ppm2 4.126 CV 1
ASSI { 456}
(( segid "PAH " and resid 340 and name HA ))
(( segid "PAH " and resid 343 and name HN ))
2.900 1.000 1.000 peak 456 spectrum 1 weight 0.10000E+01 volume 0.20798E-02 ppm1 7.775 ppm2 4.048 CV 1
ASSI { 457}
(( segid "PAH " and resid 342 and name HA ))
(( segid "PAH " and resid 343 and name HN ))
3.200 1.300 1.300 peak 457 spectrum 1 weight 0.10000E+01 volume 0.14226E-02 ppm1 7.772 ppm2 3.940 CV 1
ASSI { 458}
(( segid "PAH " and resid 343 and name HB1 ))
(( segid "PAH " and resid 343 and name HN ))
2.200 0.600 0.600 peak 458 spectrum 1 weight 0.10000E+01 volume 0.10901E-01 ppm1 7.773 ppm2 1.926 CV 1
OR { 458}
(( segid "PAH " and resid 343 and name HB2 ))
(( segid "PAH " and resid 343 and name HN ))
ASSI { 459}
(( segid "PAH " and resid 343 and name HD1 ))
(( segid "PAH " and resid 343 and name HN ))
4.000 2.000 2.000 peak 459 spectrum 1 weight 0.10000E+01 volume 0.49355E-03 ppm1 7.775 ppm2 1.679 CV 1
OR { 459}
(( segid "PAH " and resid 343 and name HD2 ))
(( segid "PAH " and resid 343 and name HN ))
ASSI { 460}
(( segid "PAH " and resid 343 and name HG1 ))
(( segid "PAH " and resid 343 and name HN ))
3.800 1.800 1.800 peak 460 spectrum 1 weight 0.10000E+01 volume 0.81553E-03 ppm1 7.774 ppm2 1.546 CV 1
ASSI { 461}
( segid "PAH " and resid 342 and name HB% )
(( segid "PAH " and resid 343 and name HN ))
2.500 0.800 0.800 peak 461 spectrum 1 weight 0.10000E+01 volume 0.55426E-02 ppm1 7.774 ppm2 1.461 CV 1
ASSI { 468}
(( segid "PAH " and resid 344 and name HB1 ))
(( segid "PAH " and resid 344 and name HN ))
2.900 1.100 1.100 peak 468 spectrum 1 weight 0.10000E+01 volume 0.24308E-02 ppm1 8.039 ppm2 2.075 CV 1
ASSI { 475}
( segid "PAH " and resid 345 and name HB% )
(( segid "PAH " and resid 345 and name HN ))
2.300 0.600 0.600 peak 475 spectrum 1 weight 0.10000E+01 volume 0.86041E-02 ppm1 7.801 ppm2 1.436 CV 1
ASSI { 476}
(( segid "PAH " and resid 344 and name HB1 ))
(( segid "PAH " and resid 345 and name HN ))
3.000 1.100 1.100 peak 476 spectrum 1 weight 0.10000E+01 volume 0.19320E-02 ppm1 7.810 ppm2 2.080 CV 1
ASSI { 478}
(( segid "PAH " and resid 345 and name HN ))
(( segid "PAH " and resid 346 and name HN ))
2.900 1.000 1.000 peak 478 spectrum 1 weight 0.10000E+01 volume 0.21721E-02 ppm1 8.033 ppm2 7.793 CV 1
ASSI { 479}
(( segid "PAH " and resid 345 and name HA ))
(( segid "PAH " and resid 346 and name HN ))
2.900 1.100 1.100 peak 479 spectrum 1 weight 0.10000E+01 volume 0.25285E-02 ppm1 8.032 ppm2 4.338 CV 1
ASSI { 481}
(( segid "PAH " and resid 346 and name HA1 ))
(( segid "PAH " and resid 346 and name HN ))
2.700 0.900 0.900 peak 481 spectrum 1 weight 0.10000E+01 volume 0.42757E-02 ppm1 8.033 ppm2 4.044 CV 1
ASSI { 482}
(( segid "PAH " and resid 346 and name HA2 ))
(( segid "PAH " and resid 346 and name HN ))
2.300 0.700 0.700 peak 482 spectrum 1 weight 0.10000E+01 volume 0.69942E-02 ppm1 8.033 ppm2 3.926 CV 1
ASSI { 483}
( segid "PAH " and resid 345 and name HB% )
(( segid "PAH " and resid 346 and name HN ))
3.000 1.100 1.100 peak 483 spectrum 1 weight 0.10000E+01 volume 0.18633E-02 ppm1 8.032 ppm2 1.428 CV 1
ASSI { 484}
(( segid "PAH " and resid 346 and name HN ))
(( segid "PAH " and resid 347 and name HN ))
3.100 1.200 1.200 peak 484 spectrum 1 weight 0.10000E+01 volume 0.15572E-02 ppm1 8.254 ppm2 8.037 CV 1
ASSI { 487}
( segid "PAH " and resid 345 and name HB% )
(( segid "PAH " and resid 347 and name HN ))
3.400 1.400 1.400 peak 487 spectrum 1 weight 0.10000E+01 volume 0.88420E-03 ppm1 8.252 ppm2 1.437 CV 1
ASSI { 491}
(( segid "PAH " and resid 347 and name HA2 ))
(( segid "PAH " and resid 348 and name HN ))
3.000 1.100 1.100 peak 491 spectrum 1 weight 0.10000E+01 volume 0.29824E-02 ppm1 8.111 ppm2 3.892 CV 1
ASSI { 492}
(( segid "PAH " and resid 348 and name HB1 ))
(( segid "PAH " and resid 348 and name HN ))
3.100 1.200 1.200 peak 492 spectrum 1 weight 0.10000E+01 volume 0.16469E-02 ppm1 8.101 ppm2 2.877 CV 1
ASSI { 493}
(( segid "PAH " and resid 348 and name HB2 ))
(( segid "PAH " and resid 348 and name HN ))
2.800 1.000 1.000 peak 493 spectrum 1 weight 0.10000E+01 volume 0.24862E-02 ppm1 8.099 ppm2 2.754 CV 1
ASSI { 495}
(( segid "PAH " and resid 348 and name HN ))
(( segid "PAH " and resid 349 and name HN ))
3.300 1.400 1.400 peak 495 spectrum 1 weight 0.10000E+01 volume 0.11059E-02 ppm1 7.923 ppm2 8.108 CV 1
ASSI { 496}
( segid "PAH " and resid 349 and name HD% )
(( segid "PAH " and resid 349 and name HN ))
3.900 1.900 1.900 peak 496 spectrum 1 weight 0.10000E+01 volume 0.84456E-03 ppm1 7.920 ppm2 6.923 CV 1
ASSI { 497}
(( segid "PAH " and resid 349 and name HA ))
(( segid "PAH " and resid 349 and name HN ))
2.800 1.000 1.000 peak 497 spectrum 1 weight 0.10000E+01 volume 0.25812E-02 ppm1 7.918 ppm2 4.518 CV 1
ASSI { 499}
(( segid "PAH " and resid 349 and name HB1 ))
(( segid "PAH " and resid 349 and name HN ))
2.600 0.900 0.900 peak 499 spectrum 1 weight 0.10000E+01 volume 0.35631E-02 ppm1 7.920 ppm2 2.954 CV 1
ASSI { 502}
( segid "PAH " and resid 349 and name HD% )
(( segid "PAH " and resid 350 and name HN ))
3.500 1.500 1.500 peak 502 spectrum 1 weight 0.10000E+01 volume 0.78127E-03 ppm1 7.993 ppm2 6.924 CV 1
ASSI { 504}
(( segid "PAH " and resid 350 and name HB ))
(( segid "PAH " and resid 350 and name HN ))
2.800 1.000 1.000 peak 504 spectrum 1 weight 0.10000E+01 volume 0.31936E-02 ppm1 7.994 ppm2 3.865 CV 1
ASSI { 505}
(( segid "PAH " and resid 349 and name HB1 ))
(( segid "PAH " and resid 350 and name HN ))
3.500 1.500 1.500 peak 505 spectrum 1 weight 0.10000E+01 volume 0.74693E-03 ppm1 7.995 ppm2 2.947 CV 1
ASSI { 506}
(( segid "PAH " and resid 349 and name HB2 ))
(( segid "PAH " and resid 350 and name HN ))
4.100 2.100 1.900 peak 506 spectrum 1 weight 0.10000E+01 volume 0.46452E-03 ppm1 7.992 ppm2 2.770 CV 1
ASSI { 507}
( segid "PAH " and resid 350 and name HG2%)
(( segid "PAH " and resid 350 and name HN ))
3.600 1.600 1.600 peak 507 spectrum 1 weight 0.10000E+01 volume 0.57537E-03 ppm1 7.998 ppm2 1.126 CV 1
ASSI { 509}
( segid "PAH " and resid 349 and name HE% )
(( segid "PAH " and resid 352 and name HN ))
4.200 2.200 1.800 peak 509 spectrum 1 weight 0.10000E+01 volume 0.49619E-03 ppm1 8.875 ppm2 6.814 CV 1
ASSI { 510}
(( segid "PAH " and resid 351 and name HA ))
(( segid "PAH " and resid 352 and name HN ))
2.200 0.600 0.600 peak 510 spectrum 1 weight 0.10000E+01 volume 0.10452E-01 ppm1 8.879 ppm2 4.378 CV 1
ASSI { 511}
(( segid "PAH " and resid 351 and name HB1 ))
(( segid "PAH " and resid 352 and name HN ))
3.100 1.200 1.200 peak 511 spectrum 1 weight 0.10000E+01 volume 0.15889E-02 ppm1 8.880 ppm2 2.322 CV 1
ASSI { 512}
(( segid "PAH " and resid 351 and name HB2 ))
(( segid "PAH " and resid 352 and name HN ))
3.200 1.300 1.300 peak 512 spectrum 1 weight 0.10000E+01 volume 0.11191E-02 ppm1 8.880 ppm2 1.900 CV 1
ASSI { 513}
( segid "PAH " and resid 352 and name HB% )
(( segid "PAH " and resid 352 and name HN ))
2.400 0.700 0.700 peak 513 spectrum 1 weight 0.10000E+01 volume 0.70206E-02 ppm1 8.878 ppm2 1.381 CV 1
ASSI { 515}
(( segid "PAH " and resid 352 and name HN ))
(( segid "PAH " and resid 353 and name HN ))
2.600 0.800 0.800 peak 515 spectrum 1 weight 0.10000E+01 volume 0.33520E-02 ppm1 7.591 ppm2 8.876 CV 1
ASSI { 516}
(( segid "PAH " and resid 354 and name HN ))
(( segid "PAH " and resid 353 and name HN ))
5.500 3.700 0.500 peak 516 spectrum 1 weight 0.10000E+01 volume 0.89999E-04 ppm1 7.596 ppm2 8.098 CV 1
ASSI { 517}
(( segid "PAH " and resid 351 and name HA ))
(( segid "PAH " and resid 353 and name HN ))
4.100 2.100 1.900 peak 517 spectrum 1 weight 0.10000E+01 volume 0.84725E-03 ppm1 7.596 ppm2 4.388 CV 1
ASSI { 518}
(( segid "PAH " and resid 352 and name HA ))
(( segid "PAH " and resid 353 and name HN ))
2.900 1.000 1.000 peak 518 spectrum 1 weight 0.10000E+01 volume 0.29033E-02 ppm1 7.594 ppm2 4.240 CV 1
ASSI { 519}
(( segid "PAH " and resid 353 and name HA ))
(( segid "PAH " and resid 353 and name HN ))
2.800 1.000 1.000 peak 519 spectrum 1 weight 0.10000E+01 volume 0.24414E-02 ppm1 7.594 ppm2 4.694 CV 1
ASSI { 520}
(( segid "PAH " and resid 338 and name HG2 ))
(( segid "PAH " and resid 353 and name HN ))
3.500 1.500 1.500 peak 520 spectrum 1 weight 0.10000E+01 volume 0.97651E-03 ppm1 7.589 ppm2 2.433 CV 1
ASSI { 521}
(( segid "PAH " and resid 351 and name HB1 ))
(( segid "PAH " and resid 353 and name HN ))
3.800 1.800 1.800 peak 521 spectrum 1 weight 0.10000E+01 volume 0.64663E-03 ppm1 7.588 ppm2 2.315 CV 1
ASSI { 522}
(( segid "PAH " and resid 338 and name HB2 ))
(( segid "PAH " and resid 353 and name HN ))
3.600 1.600 1.600 peak 522 spectrum 1 weight 0.10000E+01 volume 0.65455E-03 ppm1 7.588 ppm2 2.215 CV 1
OR { 522}
(( segid "PAH " and resid 338 and name HB1 ))
(( segid "PAH " and resid 353 and name HN ))
ASSI { 523}
(( segid "PAH " and resid 351 and name HB2 ))
(( segid "PAH " and resid 353 and name HN ))
3.000 1.100 1.100 peak 523 spectrum 1 weight 0.10000E+01 volume 0.14068E-02 ppm1 7.593 ppm2 1.890 CV 1
ASSI { 524}
(( segid "PAH " and resid 353 and name HB1 ))
(( segid "PAH " and resid 353 and name HN ))
2.800 1.000 1.000 peak 524 spectrum 1 weight 0.10000E+01 volume 0.38534E-02 ppm1 7.594 ppm2 1.672 CV 1
OR { 524}
(( segid "PAH " and resid 353 and name HG ))
(( segid "PAH " and resid 353 and name HN ))
ASSI { 525}
(( segid "PAH " and resid 353 and name HB2 ))
(( segid "PAH " and resid 353 and name HN ))
2.600 0.800 0.800 peak 525 spectrum 1 weight 0.10000E+01 volume 0.33520E-02 ppm1 7.593 ppm2 1.576 CV 1
ASSI { 526}
( segid "PAH " and resid 352 and name HB% )
(( segid "PAH " and resid 353 and name HN ))
2.900 1.000 1.000 peak 526 spectrum 1 weight 0.10000E+01 volume 0.25417E-02 ppm1 7.593 ppm2 1.380 CV 1
ASSI { 527}
( segid "PAH " and resid 353 and name HD1%)
(( segid "PAH " and resid 353 and name HN ))
3.500 1.600 1.600 peak 527 spectrum 1 weight 0.10000E+01 volume 0.96597E-03 ppm1 7.592 ppm2 0.920 CV 1
OR { 527}
( segid "PAH " and resid 353 and name HD2%)
(( segid "PAH " and resid 353 and name HN ))
ASSI { 528}
(( segid "PAH " and resid 355 and name HN ))
(( segid "PAH " and resid 354 and name HN ))
4.700 2.700 1.300 peak 528 spectrum 1 weight 0.10000E+01 volume 0.19188E-03 ppm1 8.114 ppm2 9.215 CV 1
ASSI { 529}
(( segid "PAH " and resid 358 and name HN ))
(( segid "PAH " and resid 354 and name HN ))
3.300 1.300 1.300 peak 529 spectrum 1 weight 0.10000E+01 volume 0.12062E-02 ppm1 8.111 ppm2 8.239 CV 1
ASSI { 532}
(( segid "PAH " and resid 353 and name HA ))
(( segid "PAH " and resid 354 and name HN ))
2.100 0.500 0.500 peak 532 spectrum 1 weight 0.10000E+01 volume 0.12431E-01 ppm1 8.112 ppm2 4.693 CV 1
ASSI { 533}
(( segid "PAH " and resid 357 and name HB1 ))
(( segid "PAH " and resid 354 and name HN ))
2.600 0.900 0.900 peak 533 spectrum 1 weight 0.10000E+01 volume 0.34575E-02 ppm1 8.113 ppm2 2.311 CV 1
ASSI { 534}
(( segid "PAH " and resid 357 and name HB2 ))
(( segid "PAH " and resid 354 and name HN ))
2.700 0.900 0.900 peak 534 spectrum 1 weight 0.10000E+01 volume 0.22619E-02 ppm1 8.114 ppm2 2.093 CV 1
ASSI { 535}
(( segid "PAH " and resid 353 and name HB1 ))
(( segid "PAH " and resid 354 and name HN ))
3.400 1.400 1.400 peak 535 spectrum 1 weight 0.10000E+01 volume 0.11666E-02 ppm1 8.112 ppm2 1.667 CV 1
OR { 535}
(( segid "PAH " and resid 353 and name HG ))
(( segid "PAH " and resid 354 and name HN ))
ASSI { 536}
(( segid "PAH " and resid 353 and name HB2 ))
(( segid "PAH " and resid 354 and name HN ))
4.000 2.000 2.000 peak 536 spectrum 1 weight 0.10000E+01 volume 0.67831E-03 ppm1 8.112 ppm2 1.558 CV 1
ASSI { 537}
( segid "PAH " and resid 354 and name HG2%)
(( segid "PAH " and resid 354 and name HN ))
2.600 0.800 0.800 peak 537 spectrum 1 weight 0.10000E+01 volume 0.43021E-02 ppm1 8.110 ppm2 1.351 CV 1
ASSI { 538}
( segid "PAH " and resid 353 and name HD1%)
(( segid "PAH " and resid 354 and name HN ))
3.600 1.600 1.600 peak 538 spectrum 1 weight 0.10000E+01 volume 0.10610E-02 ppm1 8.112 ppm2 0.928 CV 1
OR { 538}
( segid "PAH " and resid 353 and name HD2%)
(( segid "PAH " and resid 354 and name HN ))
ASSI { 539}
(( segid "PAH " and resid 356 and name HN ))
(( segid "PAH " and resid 355 and name HN ))
2.800 1.000 1.000 peak 539 spectrum 1 weight 0.10000E+01 volume 0.20059E-02 ppm1 9.226 ppm2 8.398 CV 1
ASSI { 541}
(( segid "PAH " and resid 357 and name HN ))
(( segid "PAH " and resid 355 and name HN ))
5.000 3.100 1.000 peak 541 spectrum 1 weight 0.10000E+01 volume 0.11481E-03 ppm1 9.225 ppm2 7.742 CV 1
ASSI { 542}
(( segid "PAH " and resid 354 and name HB ))
(( segid "PAH " and resid 355 and name HN ))
2.300 0.700 0.700 peak 542 spectrum 1 weight 0.10000E+01 volume 0.50411E-02 ppm1 9.223 ppm2 4.794 CV 1
ASSI { 543}
(( segid "PAH " and resid 355 and name HA ))
(( segid "PAH " and resid 355 and name HN ))
2.800 1.000 1.000 peak 543 spectrum 1 weight 0.10000E+01 volume 0.20745E-02 ppm1 9.225 ppm2 3.705 CV 1
ASSI { 544}
(( segid "PAH " and resid 354 and name HB ))
(( segid "PAH " and resid 354 and name HN ))
2.900 1.100 1.100 peak 544 spectrum 1 weight 0.10000E+01 volume 0.24519E-02 ppm1 8.112 ppm2 4.787 CV 1
ASSI { 545}
(( segid "PAH " and resid 355 and name HG2 ))
(( segid "PAH " and resid 355 and name HN ))
3.400 1.400 1.400 peak 545 spectrum 1 weight 0.10000E+01 volume 0.17314E-02 ppm1 9.223 ppm2 2.394 CV 1
ASSI { 546}
(( segid "PAH " and resid 355 and name HB1 ))
(( segid "PAH " and resid 355 and name HN ))
3.100 1.200 1.200 peak 546 spectrum 1 weight 0.10000E+01 volume 0.34839E-02 ppm1 9.224 ppm2 2.203 CV 1
ASSI { 547}
(( segid "PAH " and resid 355 and name HB2 ))
(( segid "PAH " and resid 355 and name HN ))
2.900 1.000 1.000 peak 547 spectrum 1 weight 0.10000E+01 volume 0.13751E-02 ppm1 9.223 ppm2 2.007 CV 1
ASSI { 548}
( segid "PAH " and resid 354 and name HG2%)
(( segid "PAH " and resid 355 and name HN ))
3.900 1.900 1.900 peak 548 spectrum 1 weight 0.10000E+01 volume 0.13751E-02 ppm1 9.224 ppm2 1.350 CV 1
ASSI { 550}
(( segid "PAH " and resid 357 and name HN ))
(( segid "PAH " and resid 356 and name HN ))
2.600 0.900 0.900 peak 550 spectrum 1 weight 0.10000E+01 volume 0.32727E-02 ppm1 8.393 ppm2 7.750 CV 1
ASSI { 552}
(( segid "PAH " and resid 356 and name HA ))
(( segid "PAH " and resid 356 and name HN ))
2.700 0.900 0.900 peak 552 spectrum 1 weight 0.10000E+01 volume 0.31936E-02 ppm1 8.393 ppm2 4.115 CV 1
ASSI { 553}
(( segid "PAH " and resid 355 and name HA ))
(( segid "PAH " and resid 356 and name HN ))
3.300 1.400 1.400 peak 553 spectrum 1 weight 0.10000E+01 volume 0.11006E-02 ppm1 8.396 ppm2 3.713 CV 1
ASSI { 554}
(( segid "PAH " and resid 356 and name HG1 ))
(( segid "PAH " and resid 356 and name HN ))
3.100 1.200 1.200 peak 554 spectrum 1 weight 0.10000E+01 volume 0.20613E-02 ppm1 8.397 ppm2 2.518 CV 1
OR { 554}
(( segid "PAH " and resid 356 and name HG2 ))
(( segid "PAH " and resid 356 and name HN ))
ASSI { 556}
(( segid "PAH " and resid 356 and name HB1 ))
(( segid "PAH " and resid 356 and name HN ))
2.300 0.700 0.700 peak 556 spectrum 1 weight 0.10000E+01 volume 0.94225E-02 ppm1 8.394 ppm2 2.159 CV 1
ASSI { 557}
(( segid "PAH " and resid 355 and name HB2 ))
(( segid "PAH " and resid 356 and name HN ))
2.700 0.900 0.900 peak 557 spectrum 1 weight 0.10000E+01 volume 0.24809E-02 ppm1 8.390 ppm2 2.013 CV 1
ASSI { 558}
( segid "PAH " and resid 354 and name HG2%)
(( segid "PAH " and resid 356 and name HN ))
4.100 2.100 1.900 peak 558 spectrum 1 weight 0.10000E+01 volume 0.64663E-03 ppm1 8.393 ppm2 1.343 CV 1
ASSI { 560}
(( segid "PAH " and resid 358 and name HN ))
(( segid "PAH " and resid 357 and name HN ))
2.500 0.800 0.800 peak 560 spectrum 1 weight 0.10000E+01 volume 0.45661E-02 ppm1 7.746 ppm2 8.248 CV 1
ASSI { 561}
(( segid "PAH " and resid 354 and name HN ))
(( segid "PAH " and resid 357 and name HN ))
3.800 1.800 1.800 peak 561 spectrum 1 weight 0.10000E+01 volume 0.47508E-03 ppm1 7.750 ppm2 8.113 CV 1
ASSI { 564}
(( segid "PAH " and resid 357 and name HA ))
(( segid "PAH " and resid 357 and name HN ))
2.700 0.900 0.900 peak 564 spectrum 1 weight 0.10000E+01 volume 0.28241E-02 ppm1 7.748 ppm2 4.250 CV 1
ASSI { 565}
(( segid "PAH " and resid 356 and name HA ))
(( segid "PAH " and resid 357 and name HN ))
3.200 1.300 1.300 peak 565 spectrum 1 weight 0.10000E+01 volume 0.12695E-02 ppm1 7.745 ppm2 4.108 CV 1
ASSI { 567}
(( segid "PAH " and resid 356 and name HG1 ))
(( segid "PAH " and resid 357 and name HN ))
3.700 1.700 1.700 peak 567 spectrum 1 weight 0.10000E+01 volume 0.61760E-03 ppm1 7.746 ppm2 2.517 CV 1
OR { 567}
(( segid "PAH " and resid 356 and name HG2 ))
(( segid "PAH " and resid 357 and name HN ))
ASSI { 568}
(( segid "PAH " and resid 357 and name HB1 ))
(( segid "PAH " and resid 357 and name HN ))
2.400 0.700 0.700 peak 568 spectrum 1 weight 0.10000E+01 volume 0.86834E-02 ppm1 7.747 ppm2 2.321 CV 1
ASSI { 571}
( segid "PAH " and resid 354 and name HG2%)
(( segid "PAH " and resid 357 and name HN ))
4.900 3.000 1.100 peak 571 spectrum 1 weight 0.10000E+01 volume 0.21669E-03 ppm1 7.752 ppm2 1.350 CV 1
ASSI { 572}
( segid "PAH " and resid 353 and name HD1%)
(( segid "PAH " and resid 357 and name HN ))
4.300 2.400 1.700 peak 572 spectrum 1 weight 0.10000E+01 volume 0.34839E-03 ppm1 7.744 ppm2 0.927 CV 1
OR { 572}
( segid "PAH " and resid 353 and name HD2%)
(( segid "PAH " and resid 357 and name HN ))
ASSI { 574}
(( segid "PAH " and resid 356 and name HN ))
(( segid "PAH " and resid 358 and name HN ))
3.400 1.400 1.400 peak 574 spectrum 1 weight 0.10000E+01 volume 0.91323E-03 ppm1 8.239 ppm2 8.377 CV 1
ASSI { 577}
(( segid "PAH " and resid 357 and name HA ))
(( segid "PAH " and resid 358 and name HN ))
3.700 1.700 1.700 peak 577 spectrum 1 weight 0.10000E+01 volume 0.54106E-03 ppm1 8.250 ppm2 4.247 CV 1
ASSI { 579}
(( segid "PAH " and resid 358 and name HA ))
(( segid "PAH " and resid 358 and name HN ))
2.800 1.000 1.000 peak 579 spectrum 1 weight 0.10000E+01 volume 0.24809E-02 ppm1 8.249 ppm2 3.419 CV 1
ASSI { 581}
(( segid "PAH " and resid 358 and name HB ))
(( segid "PAH " and resid 358 and name HN ))
2.300 0.600 0.600 peak 581 spectrum 1 weight 0.10000E+01 volume 0.73377E-02 ppm1 8.250 ppm2 2.146 CV 1
ASSI { 583}
( segid "PAH " and resid 353 and name HD1%)
(( segid "PAH " and resid 358 and name HN ))
3.400 1.400 1.400 peak 583 spectrum 1 weight 0.10000E+01 volume 0.10082E-02 ppm1 8.251 ppm2 0.926 CV 1
OR { 583}
( segid "PAH " and resid 353 and name HD2%)
(( segid "PAH " and resid 358 and name HN ))
ASSI { 584}
( segid "PAH " and resid 358 and name HG1%)
(( segid "PAH " and resid 358 and name HN ))
3.000 1.100 1.100 peak 584 spectrum 1 weight 0.10000E+01 volume 0.50147E-02 ppm1 8.250 ppm2 0.820 CV 1
ASSI { 585}
( segid "PAH " and resid 358 and name HG2%)
(( segid "PAH " and resid 358 and name HN ))
2.800 1.000 1.000 peak 585 spectrum 1 weight 0.10000E+01 volume 0.21009E-02 ppm1 8.250 ppm2 0.730 CV 1
ASSI { 587}
(( segid "PAH " and resid 360 and name HN ))
(( segid "PAH " and resid 359 and name HN ))
2.700 0.900 0.900 peak 587 spectrum 1 weight 0.10000E+01 volume 0.28241E-02 ppm1 8.230 ppm2 8.007 CV 1
ASSI { 588}
( segid "PAH " and resid 359 and name HD% )
(( segid "PAH " and resid 359 and name HN ))
4.200 2.200 1.800 peak 588 spectrum 1 weight 0.10000E+01 volume 0.50147E-03 ppm1 8.227 ppm2 7.092 CV 1
ASSI { 589}
(( segid "PAH " and resid 356 and name HA ))
(( segid "PAH " and resid 359 and name HN ))
3.800 1.800 1.800 peak 589 spectrum 1 weight 0.10000E+01 volume 0.42229E-03 ppm1 8.226 ppm2 4.113 CV 1
ASSI { 590}
(( segid "PAH " and resid 359 and name HA ))
(( segid "PAH " and resid 359 and name HN ))
2.800 1.000 1.000 peak 590 spectrum 1 weight 0.10000E+01 volume 0.23411E-02 ppm1 8.228 ppm2 3.876 CV 1
ASSI { 591}
(( segid "PAH " and resid 355 and name HA ))
(( segid "PAH " and resid 359 and name HN ))
4.400 2.400 1.600 peak 591 spectrum 1 weight 0.10000E+01 volume 0.21167E-03 ppm1 8.226 ppm2 3.709 CV 1
ASSI { 592}
(( segid "PAH " and resid 358 and name HA ))
(( segid "PAH " and resid 359 and name HN ))
3.700 1.700 1.700 peak 592 spectrum 1 weight 0.10000E+01 volume 0.56745E-03 ppm1 8.229 ppm2 3.412 CV 1
ASSI { 593}
(( segid "PAH " and resid 359 and name HB1 ))
(( segid "PAH " and resid 359 and name HN ))
2.700 0.900 0.900 peak 593 spectrum 1 weight 0.10000E+01 volume 0.36423E-02 ppm1 8.229 ppm2 3.233 CV 1
ASSI { 594}
(( segid "PAH " and resid 359 and name HB2 ))
(( segid "PAH " and resid 359 and name HN ))
2.400 0.700 0.700 peak 594 spectrum 1 weight 0.10000E+01 volume 0.48564E-02 ppm1 8.228 ppm2 3.040 CV 1
ASSI { 595}
(( segid "PAH " and resid 358 and name HB ))
(( segid "PAH " and resid 359 and name HN ))
2.500 0.800 0.800 peak 595 spectrum 1 weight 0.10000E+01 volume 0.39062E-02 ppm1 8.227 ppm2 2.154 CV 1
ASSI { 596}
( segid "PAH " and resid 358 and name HG1%)
(( segid "PAH " and resid 359 and name HN ))
3.200 1.300 1.300 peak 596 spectrum 1 weight 0.10000E+01 volume 0.13012E-02 ppm1 8.228 ppm2 0.821 CV 1
ASSI { 597}
( segid "PAH " and resid 360 and name HB% )
(( segid "PAH " and resid 359 and name HN ))
4.000 2.000 2.000 peak 597 spectrum 1 weight 0.10000E+01 volume 0.72582E-03 ppm1 8.228 ppm2 1.554 CV 1
ASSI { 598}
( segid "PAH " and resid 358 and name HG2%)
(( segid "PAH " and resid 359 and name HN ))
3.300 1.400 1.400 peak 598 spectrum 1 weight 0.10000E+01 volume 0.25206E-02 ppm1 8.227 ppm2 0.743 CV 1
ASSI { 602}
( segid "PAH " and resid 359 and name HD% )
(( segid "PAH " and resid 360 and name HN ))
4.000 2.000 2.000 peak 602 spectrum 1 weight 0.10000E+01 volume 0.39062E-03 ppm1 8.004 ppm2 7.112 CV 1
ASSI { 603}
(( segid "PAH " and resid 357 and name HA ))
(( segid "PAH " and resid 360 and name HN ))
3.100 1.200 1.200 peak 603 spectrum 1 weight 0.10000E+01 volume 0.15229E-02 ppm1 8.004 ppm2 4.252 CV 1
ASSI { 604}
(( segid "PAH " and resid 360 and name HA ))
(( segid "PAH " and resid 360 and name HN ))
2.600 0.900 0.900 peak 604 spectrum 1 weight 0.10000E+01 volume 0.39853E-02 ppm1 8.004 ppm2 4.047 CV 1
ASSI { 605}
(( segid "PAH " and resid 359 and name HA ))
(( segid "PAH " and resid 360 and name HN ))
3.800 1.800 1.800 peak 605 spectrum 1 weight 0.10000E+01 volume 0.51203E-03 ppm1 8.006 ppm2 3.876 CV 1
ASSI { 606}
(( segid "PAH " and resid 359 and name HB1 ))
(( segid "PAH " and resid 360 and name HN ))
2.600 0.900 0.900 peak 606 spectrum 1 weight 0.10000E+01 volume 0.28505E-02 ppm1 8.004 ppm2 3.237 CV 1
ASSI { 607}
(( segid "PAH " and resid 359 and name HB2 ))
(( segid "PAH " and resid 360 and name HN ))
4.000 2.000 2.000 peak 607 spectrum 1 weight 0.10000E+01 volume 0.89475E-03 ppm1 8.004 ppm2 3.042 CV 1
ASSI { 610}
( segid "PAH " and resid 360 and name HB% )
(( segid "PAH " and resid 360 and name HN ))
2.300 0.600 0.600 peak 610 spectrum 1 weight 0.10000E+01 volume 0.92639E-02 ppm1 8.007 ppm2 1.554 CV 1
ASSI { 614}
(( segid "PAH " and resid 362 and name HN ))
(( segid "PAH " and resid 361 and name HN ))
2.600 0.800 0.800 peak 614 spectrum 1 weight 0.10000E+01 volume 0.31408E-02 ppm1 8.185 ppm2 8.409 CV 1
ASSI { 615}
(( segid "PAH " and resid 360 and name HN ))
(( segid "PAH " and resid 361 and name HN ))
2.700 0.900 0.900 peak 615 spectrum 1 weight 0.10000E+01 volume 0.25892E-02 ppm1 8.184 ppm2 8.005 CV 1
ASSI { 616}
(( segid "PAH " and resid 357 and name HA ))
(( segid "PAH " and resid 361 and name HN ))
3.700 1.700 1.700 peak 616 spectrum 1 weight 0.10000E+01 volume 0.59121E-03 ppm1 8.185 ppm2 4.250 CV 1
ASSI { 617}
(( segid "PAH " and resid 360 and name HA ))
(( segid "PAH " and resid 361 and name HN ))
3.500 1.600 1.600 peak 617 spectrum 1 weight 0.10000E+01 volume 0.82877E-03 ppm1 8.191 ppm2 4.051 CV 1
ASSI { 618}
(( segid "PAH " and resid 361 and name HA ))
(( segid "PAH " and resid 361 and name HN ))
2.700 0.900 0.900 peak 618 spectrum 1 weight 0.10000E+01 volume 0.27449E-02 ppm1 8.189 ppm2 3.943 CV 1
ASSI { 619}
(( segid "PAH " and resid 358 and name HA ))
(( segid "PAH " and resid 361 and name HN ))
3.400 1.400 1.400 peak 619 spectrum 1 weight 0.10000E+01 volume 0.79444E-03 ppm1 8.186 ppm2 3.420 CV 1
ASSI { 620}
(( segid "PAH " and resid 361 and name HG1 ))
(( segid "PAH " and resid 361 and name HN ))
2.500 0.800 0.800 peak 620 spectrum 1 weight 0.10000E+01 volume 0.34839E-02 ppm1 8.186 ppm2 2.689 CV 1
ASSI { 621}
(( segid "PAH " and resid 361 and name HG2 ))
(( segid "PAH " and resid 361 and name HN ))
3.200 1.300 1.300 peak 621 spectrum 1 weight 0.10000E+01 volume 0.23912E-02 ppm1 8.186 ppm2 2.347 CV 1
ASSI { 622}
(( segid "PAH " and resid 361 and name HB1 ))
(( segid "PAH " and resid 361 and name HN ))
2.400 0.700 0.700 peak 622 spectrum 1 weight 0.10000E+01 volume 0.64399E-02 ppm1 8.188 ppm2 2.068 CV 1
OR { 622}
(( segid "PAH " and resid 361 and name HB2 ))
(( segid "PAH " and resid 361 and name HN ))
ASSI { 623}
( segid "PAH " and resid 360 and name HB% )
(( segid "PAH " and resid 361 and name HN ))
2.500 0.800 0.800 peak 623 spectrum 1 weight 0.10000E+01 volume 0.40910E-02 ppm1 8.182 ppm2 1.552 CV 1
ASSI { 625}
(( segid "PAH " and resid 363 and name HN ))
(( segid "PAH " and resid 362 and name HN ))
2.700 0.900 0.900 peak 625 spectrum 1 weight 0.10000E+01 volume 0.26921E-02 ppm1 8.402 ppm2 8.732 CV 1
ASSI { 627}
(( segid "PAH " and resid 361 and name HA ))
(( segid "PAH " and resid 362 and name HN ))
3.500 1.500 1.500 peak 627 spectrum 1 weight 0.10000E+01 volume 0.80760E-03 ppm1 8.404 ppm2 3.943 CV 1
ASSI { 628}
(( segid "PAH " and resid 359 and name HA ))
(( segid "PAH " and resid 362 and name HN ))
3.400 1.400 1.400 peak 628 spectrum 1 weight 0.10000E+01 volume 0.98444E-03 ppm1 8.404 ppm2 3.863 CV 1
ASSI { 629}
(( segid "PAH " and resid 362 and name HA ))
(( segid "PAH " and resid 362 and name HN ))
2.800 1.000 1.000 peak 629 spectrum 1 weight 0.10000E+01 volume 0.21906E-02 ppm1 8.402 ppm2 2.950 CV 1
ASSI { 630}
(( segid "PAH " and resid 361 and name HB1 ))
(( segid "PAH " and resid 362 and name HN ))
2.600 0.800 0.800 peak 630 spectrum 1 weight 0.10000E+01 volume 0.30880E-02 ppm1 8.402 ppm2 2.070 CV 1
OR { 630}
(( segid "PAH " and resid 361 and name HB2 ))
(( segid "PAH " and resid 362 and name HN ))
ASSI { 631}
(( segid "PAH " and resid 361 and name HG2 ))
(( segid "PAH " and resid 362 and name HN ))
5.400 3.700 0.600 peak 631 spectrum 1 weight 0.10000E+01 volume 0.15334E-03 ppm1 8.400 ppm2 2.335 CV 1
ASSI { 632}
(( segid "PAH " and resid 362 and name HB ))
(( segid "PAH " and resid 362 and name HN ))
2.400 0.700 0.700 peak 632 spectrum 1 weight 0.10000E+01 volume 0.51467E-02 ppm1 8.406 ppm2 1.469 CV 1
ASSI { 633}
( segid "PAH " and resid 363 and name HB% )
(( segid "PAH " and resid 362 and name HN ))
4.100 2.100 1.900 peak 633 spectrum 1 weight 0.10000E+01 volume 0.61760E-03 ppm1 8.412 ppm2 1.232 CV 1
ASSI { 634}
( segid "PAH " and resid 331 and name HD1%)
(( segid "PAH " and resid 362 and name HN ))
3.400 1.500 1.500 peak 634 spectrum 1 weight 0.10000E+01 volume 0.10478E-02 ppm1 8.403 ppm2 0.729 CV 1
ASSI { 635}
( segid "PAH " and resid 362 and name HG1%)
(( segid "PAH " and resid 362 and name HN ))
3.100 1.200 1.200 peak 635 spectrum 1 weight 0.10000E+01 volume 0.44077E-02 ppm1 8.404 ppm2 0.490 CV 1
ASSI { 637}
(( segid "PAH " and resid 364 and name HN ))
(( segid "PAH " and resid 363 and name HN ))
2.800 1.000 1.000 peak 637 spectrum 1 weight 0.10000E+01 volume 0.24229E-02 ppm1 8.731 ppm2 7.168 CV 1
ASSI { 638}
(( segid "PAH " and resid 363 and name HA ))
(( segid "PAH " and resid 363 and name HN ))
2.700 0.900 0.900 peak 638 spectrum 1 weight 0.10000E+01 volume 0.30880E-02 ppm1 8.730 ppm2 3.780 CV 1
ASSI { 639}
(( segid "PAH " and resid 362 and name HA ))
(( segid "PAH " and resid 363 and name HN ))
3.600 1.600 1.600 peak 639 spectrum 1 weight 0.10000E+01 volume 0.60177E-03 ppm1 8.725 ppm2 2.947 CV 1
ASSI { 641}
(( segid "PAH " and resid 362 and name HB ))
(( segid "PAH " and resid 363 and name HN ))
2.700 0.900 0.900 peak 641 spectrum 1 weight 0.10000E+01 volume 0.28505E-02 ppm1 8.730 ppm2 1.473 CV 1
ASSI { 642}
( segid "PAH " and resid 363 and name HB% )
(( segid "PAH " and resid 363 and name HN ))
2.300 0.700 0.700 peak 642 spectrum 1 weight 0.10000E+01 volume 0.80760E-02 ppm1 8.729 ppm2 1.237 CV 1
ASSI { 643}
( segid "PAH " and resid 373 and name HD1%)
(( segid "PAH " and resid 363 and name HN ))
3.900 1.900 1.900 peak 643 spectrum 1 weight 0.10000E+01 volume 0.44604E-03 ppm1 8.725 ppm2 0.919 CV 1
ASSI { 644}
( segid "PAH " and resid 373 and name HD2%)
(( segid "PAH " and resid 363 and name HN ))
3.400 1.400 1.400 peak 644 spectrum 1 weight 0.10000E+01 volume 0.10452E-02 ppm1 8.725 ppm2 0.802 CV 1
ASSI { 645}
( segid "PAH " and resid 362 and name HG1%)
(( segid "PAH " and resid 363 and name HN ))
3.800 1.800 1.800 peak 645 spectrum 1 weight 0.10000E+01 volume 0.64928E-03 ppm1 8.722 ppm2 0.492 CV 1
ASSI { 646}
(( segid "PAH " and resid 365 and name HN ))
(( segid "PAH " and resid 364 and name HN ))
2.600 0.800 0.800 peak 646 spectrum 1 weight 0.10000E+01 volume 0.35631E-02 ppm1 7.171 ppm2 7.429 CV 1
ASSI { 649}
(( segid "PAH " and resid 361 and name HA ))
(( segid "PAH " and resid 364 and name HN ))
3.000 1.100 1.100 peak 649 spectrum 1 weight 0.10000E+01 volume 0.16020E-02 ppm1 7.171 ppm2 3.947 CV 1
ASSI { 650}
(( segid "PAH " and resid 363 and name HA ))
(( segid "PAH " and resid 364 and name HN ))
3.300 1.400 1.400 peak 650 spectrum 1 weight 0.10000E+01 volume 0.10267E-02 ppm1 7.171 ppm2 3.777 CV 1
ASSI { 651}
(( segid "PAH " and resid 364 and name HD1 ))
(( segid "PAH " and resid 364 and name HN ))
5.400 3.600 0.600 peak 651 spectrum 1 weight 0.10000E+01 volume 0.11059E-03 ppm1 7.172 ppm2 3.220 CV 1
OR { 651}
(( segid "PAH " and resid 364 and name HD2 ))
(( segid "PAH " and resid 364 and name HN ))
ASSI { 653}
(( segid "PAH " and resid 364 and name HB2 ))
(( segid "PAH " and resid 364 and name HN ))
2.200 0.600 0.600 peak 653 spectrum 1 weight 0.10000E+01 volume 0.11560E-01 ppm1 7.171 ppm2 1.852 CV 1
OR { 653}
(( segid "PAH " and resid 364 and name HB1 ))
(( segid "PAH " and resid 364 and name HN ))
ASSI { 655}
(( segid "PAH " and resid 362 and name HB ))
(( segid "PAH " and resid 364 and name HN ))
4.500 2.500 1.500 peak 655 spectrum 1 weight 0.10000E+01 volume 0.31144E-03 ppm1 7.171 ppm2 1.484 CV 1
ASSI { 656}
( segid "PAH " and resid 363 and name HB% )
(( segid "PAH " and resid 364 and name HN ))
2.600 0.900 0.900 peak 656 spectrum 1 weight 0.10000E+01 volume 0.36159E-02 ppm1 7.173 ppm2 1.232 CV 1
ASSI { 658}
(( segid "PAH " and resid 366 and name HN ))
(( segid "PAH " and resid 365 and name HN ))
2.700 0.900 0.900 peak 658 spectrum 1 weight 0.10000E+01 volume 0.31672E-02 ppm1 7.431 ppm2 8.312 CV 1
ASSI { 660}
(( segid "PAH " and resid 363 and name HA ))
(( segid "PAH " and resid 365 and name HN ))
3.700 1.700 1.700 peak 660 spectrum 1 weight 0.10000E+01 volume 0.50939E-03 ppm1 7.429 ppm2 3.770 CV 1
ASSI { 661}
(( segid "PAH " and resid 362 and name HA ))
(( segid "PAH " and resid 365 and name HN ))
3.000 1.100 1.100 peak 661 spectrum 1 weight 0.10000E+01 volume 0.15915E-02 ppm1 7.432 ppm2 2.950 CV 1
ASSI { 662}
(( segid "PAH " and resid 364 and name HB1 ))
(( segid "PAH " and resid 365 and name HN ))
2.700 0.900 0.900 peak 662 spectrum 1 weight 0.10000E+01 volume 0.31936E-02 ppm1 7.430 ppm2 1.855 CV 1
OR { 662}
(( segid "PAH " and resid 364 and name HB2 ))
(( segid "PAH " and resid 365 and name HN ))
ASSI { 663}
(( segid "PAH " and resid 365 and name HG ))
(( segid "PAH " and resid 365 and name HN ))
2.600 0.900 0.900 peak 663 spectrum 1 weight 0.10000E+01 volume 0.29033E-02 ppm1 7.432 ppm2 1.634 CV 1
ASSI { 664}
(( segid "PAH " and resid 365 and name HB1 ))
(( segid "PAH " and resid 365 and name HN ))
3.000 1.100 1.100 peak 664 spectrum 1 weight 0.10000E+01 volume 0.44077E-02 ppm1 7.432 ppm2 1.506 CV 1
ASSI { 665}
(( segid "PAH " and resid 365 and name HB2 ))
(( segid "PAH " and resid 365 and name HN ))
2.600 0.800 0.800 peak 665 spectrum 1 weight 0.10000E+01 volume 0.29033E-02 ppm1 7.432 ppm2 1.289 CV 1
ASSI { 668}
(( segid "PAH " and resid 364 and name HN ))
(( segid "PAH " and resid 366 and name HN ))
4.100 2.100 1.900 peak 668 spectrum 1 weight 0.10000E+01 volume 0.37742E-03 ppm1 8.313 ppm2 7.176 CV 1
ASSI { 669}
(( segid "PAH " and resid 367 and name HN ))
(( segid "PAH " and resid 366 and name HN ))
3.000 1.100 1.100 peak 669 spectrum 1 weight 0.10000E+01 volume 0.24256E-02 ppm1 8.313 ppm2 7.064 CV 1
ASSI { 670}
( segid "PAH " and resid 366 and name HD% )
(( segid "PAH " and resid 366 and name HN ))
3.200 1.300 1.300 peak 670 spectrum 1 weight 0.10000E+01 volume 0.13989E-02 ppm1 8.315 ppm2 6.599 CV 1
ASSI { 671}
(( segid "PAH " and resid 366 and name HA ))
(( segid "PAH " and resid 366 and name HN ))
2.900 1.100 1.100 peak 671 spectrum 1 weight 0.10000E+01 volume 0.17894E-02 ppm1 8.313 ppm2 4.911 CV 1
ASSI { 673}
(( segid "PAH " and resid 366 and name HB1 ))
(( segid "PAH " and resid 366 and name HN ))
3.400 1.500 1.500 peak 673 spectrum 1 weight 0.10000E+01 volume 0.21009E-02 ppm1 8.315 ppm2 3.708 CV 1
ASSI { 674}
(( segid "PAH " and resid 363 and name HA ))
(( segid "PAH " and resid 366 and name HN ))
3.200 1.300 1.300 peak 674 spectrum 1 weight 0.10000E+01 volume 0.11243E-02 ppm1 8.315 ppm2 3.793 CV 1
ASSI { 675}
(( segid "PAH " and resid 366 and name HB2 ))
(( segid "PAH " and resid 366 and name HN ))
2.400 0.700 0.700 peak 675 spectrum 1 weight 0.10000E+01 volume 0.46188E-02 ppm1 8.315 ppm2 2.930 CV 1
ASSI { 677}
(( segid "PAH " and resid 365 and name HB1 ))
(( segid "PAH " and resid 366 and name HN ))
3.100 1.200 1.200 peak 677 spectrum 1 weight 0.10000E+01 volume 0.25866E-02 ppm1 8.311 ppm2 1.501 CV 1
ASSI { 678}
(( segid "PAH " and resid 365 and name HG ))
(( segid "PAH " and resid 366 and name HN ))
4.400 2.400 1.600 peak 678 spectrum 1 weight 0.10000E+01 volume 0.35895E-03 ppm1 8.310 ppm2 1.625 CV 1
ASSI { 679}
(( segid "PAH " and resid 365 and name HB2 ))
(( segid "PAH " and resid 366 and name HN ))
2.700 0.900 0.900 peak 679 spectrum 1 weight 0.10000E+01 volume 0.25285E-02 ppm1 8.313 ppm2 1.296 CV 1
ASSI { 680}
(( segid "PAH " and resid 368 and name HN ))
(( segid "PAH " and resid 367 and name HN ))
3.500 1.500 1.500 peak 680 spectrum 1 weight 0.10000E+01 volume 0.63344E-03 ppm1 7.066 ppm2 9.023 CV 1
ASSI { 683}
(( segid "PAH " and resid 366 and name HA ))
(( segid "PAH " and resid 367 and name HN ))
3.000 1.100 1.100 peak 683 spectrum 1 weight 0.10000E+01 volume 0.14200E-02 ppm1 7.066 ppm2 4.912 CV 1
ASSI { 684}
(( segid "PAH " and resid 366 and name HB1 ))
(( segid "PAH " and resid 367 and name HN ))
4.100 2.100 1.900 peak 684 spectrum 1 weight 0.10000E+01 volume 0.54898E-03 ppm1 7.062 ppm2 3.750 CV 1
ASSI { 686}
(( segid "PAH " and resid 364 and name HA ))
(( segid "PAH " and resid 364 and name HN ))
2.600 0.800 0.800 peak 686 spectrum 1 weight 0.10000E+01 volume 0.42757E-02 ppm1 7.171 ppm2 4.040 CV 1
ASSI { 688}
(( segid "PAH " and resid 367 and name HA ))
(( segid "PAH " and resid 367 and name HN ))
2.400 0.700 0.700 peak 688 spectrum 1 weight 0.10000E+01 volume 0.63871E-02 ppm1 7.064 ppm2 4.037 CV 1
ASSI { 689}
(( segid "PAH " and resid 366 and name HB2 ))
(( segid "PAH " and resid 367 and name HN ))
4.900 3.100 1.100 peak 689 spectrum 1 weight 0.10000E+01 volume 0.18396E-03 ppm1 7.061 ppm2 2.933 CV 1
ASSI { 690}
(( segid "PAH " and resid 367 and name HB1 ))
(( segid "PAH " and resid 367 and name HN ))
2.400 0.700 0.700 peak 690 spectrum 1 weight 0.10000E+01 volume 0.57009E-02 ppm1 7.066 ppm2 2.028 CV 1
ASSI { 691}
(( segid "PAH " and resid 367 and name HB2 ))
(( segid "PAH " and resid 367 and name HN ))
2.600 0.800 0.800 peak 691 spectrum 1 weight 0.10000E+01 volume 0.43549E-02 ppm1 7.066 ppm2 1.881 CV 1
ASSI { 692}
(( segid "PAH " and resid 367 and name HD2 ))
(( segid "PAH " and resid 367 and name HN ))
3.900 1.900 1.900 peak 692 spectrum 1 weight 0.10000E+01 volume 0.47244E-03 ppm1 7.060 ppm2 1.768 CV 1
OR { 692}
(( segid "PAH " and resid 367 and name HD1 ))
(( segid "PAH " and resid 367 and name HN ))
ASSI { 694}
(( segid "PAH " and resid 367 and name HG1 ))
(( segid "PAH " and resid 367 and name HN ))
3.200 1.300 1.300 peak 694 spectrum 1 weight 0.10000E+01 volume 0.20692E-02 ppm1 7.066 ppm2 1.485 CV 1
OR { 694}
(( segid "PAH " and resid 367 and name HG2 ))
(( segid "PAH " and resid 367 and name HN ))
ASSI { 695}
( segid "PAH " and resid 365 and name HD1%)
(( segid "PAH " and resid 365 and name HN ))
3.400 1.400 1.400 peak 695 spectrum 1 weight 0.10000E+01 volume 0.17816E-02 ppm1 7.431 ppm2 0.767 CV 1
OR { 695}
( segid "PAH " and resid 365 and name HD2%)
(( segid "PAH " and resid 365 and name HN ))
ASSI { 701}
(( segid "PAH " and resid 367 and name HA ))
(( segid "PAH " and resid 368 and name HN ))
2.600 0.800 0.800 peak 701 spectrum 1 weight 0.10000E+01 volume 0.44077E-02 ppm1 9.020 ppm2 4.043 CV 1
ASSI { 702}
(( segid "PAH " and resid 368 and name HB1 ))
(( segid "PAH " and resid 368 and name HN ))
3.100 1.200 1.200 peak 702 spectrum 1 weight 0.10000E+01 volume 0.14358E-02 ppm1 9.019 ppm2 3.095 CV 1
OR { 702}
(( segid "PAH " and resid 368 and name HB2 ))
(( segid "PAH " and resid 368 and name HN ))
ASSI { 703}
(( segid "PAH " and resid 367 and name HB1 ))
(( segid "PAH " and resid 368 and name HN ))
3.500 1.500 1.500 peak 703 spectrum 1 weight 0.10000E+01 volume 0.66775E-03 ppm1 9.031 ppm2 2.036 CV 1
ASSI { 705}
(( segid "PAH " and resid 367 and name HG1 ))
(( segid "PAH " and resid 368 and name HN ))
3.400 1.400 1.400 peak 705 spectrum 1 weight 0.10000E+01 volume 0.10399E-02 ppm1 9.020 ppm2 1.486 CV 1
OR { 705}
(( segid "PAH " and resid 367 and name HG2 ))
(( segid "PAH " and resid 368 and name HN ))
ASSI { 706}
(( segid "PAH " and resid 368 and name HN ))
(( segid "PAH " and resid 369 and name HN ))
2.600 0.800 0.800 peak 706 spectrum 1 weight 0.10000E+01 volume 0.38006E-02 ppm1 8.175 ppm2 9.021 CV 1
ASSI { 707}
(( segid "PAH " and resid 370 and name HN ))
(( segid "PAH " and resid 369 and name HN ))
3.100 1.200 1.200 peak 707 spectrum 1 weight 0.10000E+01 volume 0.16707E-02 ppm1 8.172 ppm2 8.708 CV 1
ASSI { 708}
(( segid "PAH " and resid 366 and name HA ))
(( segid "PAH " and resid 369 and name HN ))
4.100 2.100 1.900 peak 708 spectrum 1 weight 0.10000E+01 volume 0.31144E-03 ppm1 8.170 ppm2 4.919 CV 1
ASSI { 709}
(( segid "PAH " and resid 369 and name HA ))
(( segid "PAH " and resid 369 and name HN ))
2.900 1.100 1.100 peak 709 spectrum 1 weight 0.10000E+01 volume 0.18633E-02 ppm1 8.172 ppm2 4.822 CV 1
ASSI { 710}
(( segid "PAH " and resid 368 and name HA ))
(( segid "PAH " and resid 369 and name HN ))
3.100 1.200 1.200 peak 710 spectrum 1 weight 0.10000E+01 volume 0.19584E-02 ppm1 8.172 ppm2 4.719 CV 1
ASSI { 711}
(( segid "PAH " and resid 367 and name HA ))
(( segid "PAH " and resid 369 and name HN ))
3.500 1.600 1.600 peak 711 spectrum 1 weight 0.10000E+01 volume 0.98444E-03 ppm1 8.175 ppm2 4.042 CV 1
ASSI { 713}
(( segid "PAH " and resid 368 and name HB2 ))
(( segid "PAH " and resid 369 and name HN ))
3.600 1.600 1.600 peak 713 spectrum 1 weight 0.10000E+01 volume 0.69942E-03 ppm1 8.177 ppm2 3.093 CV 1
OR { 713}
(( segid "PAH " and resid 368 and name HB1 ))
(( segid "PAH " and resid 369 and name HN ))
ASSI { 714}
(( segid "PAH " and resid 369 and name HG1 ))
(( segid "PAH " and resid 369 and name HN ))
3.200 1.300 1.300 peak 714 spectrum 1 weight 0.10000E+01 volume 0.20349E-02 ppm1 8.172 ppm2 2.427 CV 1
ASSI { 716}
(( segid "PAH " and resid 369 and name HB1 ))
(( segid "PAH " and resid 369 and name HN ))
3.100 1.200 1.200 peak 716 spectrum 1 weight 0.10000E+01 volume 0.32463E-02 ppm1 8.177 ppm2 1.860 CV 1
ASSI { 717}
(( segid "PAH " and resid 371 and name HN ))
(( segid "PAH " and resid 370 and name HN ))
2.900 1.000 1.000 peak 717 spectrum 1 weight 0.10000E+01 volume 0.19293E-02 ppm1 8.707 ppm2 9.007 CV 1
ASSI { 720}
(( segid "PAH " and resid 369 and name HA ))
(( segid "PAH " and resid 370 and name HN ))
2.400 0.700 0.700 peak 720 spectrum 1 weight 0.10000E+01 volume 0.60441E-02 ppm1 8.708 ppm2 4.820 CV 1
ASSI { 721}
(( segid "PAH " and resid 370 and name HA ))
(( segid "PAH " and resid 370 and name HN ))
2.500 0.800 0.800 peak 721 spectrum 1 weight 0.10000E+01 volume 0.49883E-02 ppm1 8.709 ppm2 3.979 CV 1
ASSI { 722}
(( segid "PAH " and resid 370 and name HG2 ))
(( segid "PAH " and resid 370 and name HN ))
3.000 1.100 1.100 peak 722 spectrum 1 weight 0.10000E+01 volume 0.24651E-02 ppm1 8.708 ppm2 2.426 CV 1
OR { 722}
(( segid "PAH " and resid 370 and name HG1 ))
(( segid "PAH " and resid 370 and name HN ))
ASSI { 723}
(( segid "PAH " and resid 370 and name HB1 ))
(( segid "PAH " and resid 370 and name HN ))
2.300 0.700 0.700 peak 723 spectrum 1 weight 0.10000E+01 volume 0.85780E-02 ppm1 8.705 ppm2 2.124 CV 1
OR { 723}
(( segid "PAH " and resid 370 and name HB2 ))
(( segid "PAH " and resid 370 and name HN ))
ASSI { 724}
(( segid "PAH " and resid 369 and name HB2 ))
(( segid "PAH " and resid 370 and name HN ))
3.900 1.900 1.900 peak 724 spectrum 1 weight 0.10000E+01 volume 0.73377E-03 ppm1 8.711 ppm2 1.822 CV 1
ASSI { 726}
(( segid "PAH " and resid 373 and name HN ))
(( segid "PAH " and resid 371 and name HN ))
4.200 2.200 1.800 peak 726 spectrum 1 weight 0.10000E+01 volume 0.29033E-03 ppm1 9.003 ppm2 8.022 CV 1
ASSI { 727}
(( segid "PAH " and resid 372 and name HN ))
(( segid "PAH " and resid 371 and name HN ))
2.600 0.800 0.800 peak 727 spectrum 1 weight 0.10000E+01 volume 0.38534E-02 ppm1 9.003 ppm2 7.759 CV 1
ASSI { 729}
(( segid "PAH " and resid 369 and name HA ))
(( segid "PAH " and resid 371 and name HN ))
3.900 1.900 1.900 peak 729 spectrum 1 weight 0.10000E+01 volume 0.46188E-03 ppm1 9.005 ppm2 4.827 CV 1
ASSI { 730}
(( segid "PAH " and resid 371 and name HA ))
(( segid "PAH " and resid 371 and name HN ))
2.700 0.900 0.900 peak 730 spectrum 1 weight 0.10000E+01 volume 0.31408E-02 ppm1 9.005 ppm2 4.410 CV 1
ASSI { 731}
(( segid "PAH " and resid 374 and name HB2 ))
(( segid "PAH " and resid 371 and name HN ))
3.600 1.600 1.600 peak 731 spectrum 1 weight 0.10000E+01 volume 0.32727E-03 ppm1 9.010 ppm2 4.086 CV 1
OR { 731}
(( segid "PAH " and resid 374 and name HB1 ))
(( segid "PAH " and resid 371 and name HN ))
ASSI { 732}
(( segid "PAH " and resid 370 and name HA ))
(( segid "PAH " and resid 371 and name HN ))
3.200 1.300 1.300 peak 732 spectrum 1 weight 0.10000E+01 volume 0.13804E-02 ppm1 9.007 ppm2 3.978 CV 1
ASSI { 733}
(( segid "PAH " and resid 371 and name HB1 ))
(( segid "PAH " and resid 371 and name HN ))
2.900 1.000 1.000 peak 733 spectrum 1 weight 0.10000E+01 volume 0.31936E-02 ppm1 9.007 ppm2 2.880 CV 1
ASSI { 734}
(( segid "PAH " and resid 371 and name HB2 ))
(( segid "PAH " and resid 371 and name HN ))
2.900 1.100 1.100 peak 734 spectrum 1 weight 0.10000E+01 volume 0.18106E-02 ppm1 9.008 ppm2 2.683 CV 1
ASSI { 735}
(( segid "PAH " and resid 370 and name HG2 ))
(( segid "PAH " and resid 371 and name HN ))
3.600 1.700 1.700 peak 735 spectrum 1 weight 0.10000E+01 volume 0.75748E-03 ppm1 9.008 ppm2 2.431 CV 1
OR { 735}
(( segid "PAH " and resid 370 and name HG1 ))
(( segid "PAH " and resid 371 and name HN ))
ASSI { 736}
(( segid "PAH " and resid 370 and name HB2 ))
(( segid "PAH " and resid 371 and name HN ))
2.900 1.000 1.000 peak 736 spectrum 1 weight 0.10000E+01 volume 0.26657E-02 ppm1 9.005 ppm2 2.123 CV 1
OR { 736}
(( segid "PAH " and resid 370 and name HB1 ))
(( segid "PAH " and resid 371 and name HN ))
ASSI { 737}
(( segid "PAH " and resid 370 and name HN ))
(( segid "PAH " and resid 372 and name HN ))
4.500 2.500 1.500 peak 737 spectrum 1 weight 0.10000E+01 volume 0.26657E-03 ppm1 7.759 ppm2 8.701 CV 1
ASSI { 738}
(( segid "PAH " and resid 373 and name HN ))
(( segid "PAH " and resid 372 and name HN ))
2.600 0.800 0.800 peak 738 spectrum 1 weight 0.10000E+01 volume 0.35895E-02 ppm1 7.758 ppm2 8.028 CV 1
ASSI { 742}
(( segid "PAH " and resid 371 and name HB1 ))
(( segid "PAH " and resid 372 and name HN ))
3.900 1.900 1.900 peak 742 spectrum 1 weight 0.10000E+01 volume 0.39326E-03 ppm1 7.755 ppm2 2.892 CV 1
ASSI { 743}
(( segid "PAH " and resid 371 and name HB2 ))
(( segid "PAH " and resid 372 and name HN ))
3.800 1.800 1.800 peak 743 spectrum 1 weight 0.10000E+01 volume 0.38534E-03 ppm1 7.756 ppm2 2.691 CV 1
ASSI { 744}
(( segid "PAH " and resid 372 and name HG ))
(( segid "PAH " and resid 372 and name HN ))
2.600 2.600 3.400 peak 744 spectrum 1 weight 0.10000E+01 volume 0.82346E-02 ppm1 7.757 ppm2 1.588 CV 1
ASSI { 745}
(( segid "PAH " and resid 372 and name HB2 ))
(( segid "PAH " and resid 372 and name HN ))
2.900 1.100 1.100 peak 745 spectrum 1 weight 0.10000E+01 volume 0.11692E-02 ppm1 7.757 ppm2 0.966 CV 1
ASSI { 746}
( segid "PAH " and resid 372 and name HD1%)
(( segid "PAH " and resid 372 and name HN ))
3.000 1.100 1.100 peak 746 spectrum 1 weight 0.10000E+01 volume 0.15334E-02 ppm1 7.759 ppm2 0.519 CV 1
ASSI { 747}
( segid "PAH " and resid 372 and name HD2%)
(( segid "PAH " and resid 372 and name HN ))
3.900 1.900 1.900 peak 747 spectrum 1 weight 0.10000E+01 volume 0.82608E-03 ppm1 7.759 ppm2 0.206 CV 1
ASSI { 748}
(( segid "PAH " and resid 374 and name HN ))
(( segid "PAH " and resid 373 and name HN ))
2.700 0.900 0.900 peak 748 spectrum 1 weight 0.10000E+01 volume 0.25100E-02 ppm1 8.021 ppm2 8.548 CV 1
ASSI { 752}
(( segid "PAH " and resid 370 and name HA ))
(( segid "PAH " and resid 373 and name HN ))
3.200 1.300 1.300 peak 752 spectrum 1 weight 0.10000E+01 volume 0.12193E-02 ppm1 8.024 ppm2 3.979 CV 1
ASSI { 754}
(( segid "PAH " and resid 373 and name HB1 ))
(( segid "PAH " and resid 373 and name HN ))
3.000 1.200 1.200 peak 754 spectrum 1 weight 0.10000E+01 volume 0.36159E-02 ppm1 8.022 ppm2 2.145 CV 1
ASSI { 756}
(( segid "PAH " and resid 373 and name HB2 ))
(( segid "PAH " and resid 373 and name HN ))
2.300 0.700 0.700 peak 756 spectrum 1 weight 0.10000E+01 volume 0.51731E-02 ppm1 8.024 ppm2 1.719 CV 1
ASSI { 758}
(( segid "PAH " and resid 372 and name HB2 ))
(( segid "PAH " and resid 373 and name HN ))
2.900 1.100 1.100 peak 758 spectrum 1 weight 0.10000E+01 volume 0.15044E-02 ppm1 8.022 ppm2 0.951 CV 1
ASSI { 760}
( segid "PAH " and resid 372 and name HD1%)
(( segid "PAH " and resid 373 and name HN ))
4.700 2.700 1.300 peak 760 spectrum 1 weight 0.10000E+01 volume 0.25786E-03 ppm1 8.024 ppm2 0.519 CV 1
ASSI { 763}
(( segid "PAH " and resid 375 and name HN ))
(( segid "PAH " and resid 374 and name HN ))
2.800 0.900 0.900 peak 763 spectrum 1 weight 0.10000E+01 volume 0.26657E-02 ppm1 8.546 ppm2 7.735 CV 1
ASSI { 764}
(( segid "PAH " and resid 374 and name HA ))
(( segid "PAH " and resid 374 and name HN ))
2.700 0.900 0.900 peak 764 spectrum 1 weight 0.10000E+01 volume 0.35367E-02 ppm1 8.545 ppm2 4.348 CV 1
ASSI { 765}
(( segid "PAH " and resid 374 and name HB2 ))
(( segid "PAH " and resid 374 and name HN ))
2.400 0.700 0.700 peak 765 spectrum 1 weight 0.10000E+01 volume 0.67303E-02 ppm1 8.548 ppm2 4.084 CV 1
OR { 765}
(( segid "PAH " and resid 374 and name HB1 ))
(( segid "PAH " and resid 374 and name HN ))
ASSI { 766}
(( segid "PAH " and resid 373 and name HB1 ))
(( segid "PAH " and resid 374 and name HN ))
2.700 0.900 0.900 peak 766 spectrum 1 weight 0.10000E+01 volume 0.30880E-02 ppm1 8.545 ppm2 2.142 CV 1
ASSI { 767}
(( segid "PAH " and resid 373 and name HG ))
(( segid "PAH " and resid 374 and name HN ))
3.800 1.800 1.800 peak 767 spectrum 1 weight 0.10000E+01 volume 0.68095E-03 ppm1 8.546 ppm2 1.900 CV 1
ASSI { 769}
(( segid "PAH " and resid 373 and name HB2 ))
(( segid "PAH " and resid 374 and name HN ))
3.100 1.200 1.200 peak 769 spectrum 1 weight 0.10000E+01 volume 0.15651E-02 ppm1 8.544 ppm2 1.722 CV 1
ASSI { 773}
(( segid "PAH " and resid 375 and name HG1 ))
(( segid "PAH " and resid 375 and name HN ))
3.400 1.400 1.400 peak 773 spectrum 1 weight 0.10000E+01 volume 0.10029E-02 ppm1 7.740 ppm2 2.364 CV 1
ASSI { 774}
(( segid "PAH " and resid 375 and name HB1 ))
(( segid "PAH " and resid 375 and name HN ))
2.800 1.000 1.000 peak 774 spectrum 1 weight 0.10000E+01 volume 0.54370E-02 ppm1 7.741 ppm2 2.111 CV 1
ASSI { 781}
(( segid "PAH " and resid 376 and name HB2 ))
(( segid "PAH " and resid 376 and name HN ))
2.600 0.900 0.900 peak 781 spectrum 1 weight 0.10000E+01 volume 0.39853E-02 ppm1 7.806 ppm2 3.339 CV 1
ASSI { 784}
(( segid "PAH " and resid 375 and name HB2 ))
(( segid "PAH " and resid 376 and name HN ))
3.000 1.100 1.100 peak 784 spectrum 1 weight 0.10000E+01 volume 0.16733E-02 ppm1 7.807 ppm2 1.935 CV 1
OR { 784}
(( segid "PAH " and resid 375 and name HG2 ))
(( segid "PAH " and resid 376 and name HN ))
ASSI { 785}
(( segid "PAH " and resid 378 and name HN ))
(( segid "PAH " and resid 377 and name HN ))
2.900 1.000 1.000 peak 785 spectrum 1 weight 0.10000E+01 volume 0.19161E-02 ppm1 7.821 ppm2 7.501 CV 1
ASSI { 789}
(( segid "PAH " and resid 377 and name HA2 ))
(( segid "PAH " and resid 377 and name HN ))
2.800 1.000 1.000 peak 789 spectrum 1 weight 0.10000E+01 volume 0.43285E-02 ppm1 7.815 ppm2 3.755 CV 1
ASSI { 792}
(( segid "PAH " and resid 379 and name HN ))
(( segid "PAH " and resid 378 and name HN ))
2.600 0.900 0.900 peak 792 spectrum 1 weight 0.10000E+01 volume 0.34311E-02 ppm1 7.509 ppm2 7.736 CV 1
ASSI { 793}
( segid "PAH " and resid 379 and name HD% )
(( segid "PAH " and resid 378 and name HN ))
4.600 2.600 1.400 peak 793 spectrum 1 weight 0.10000E+01 volume 0.18291E-03 ppm1 7.509 ppm2 7.199 CV 1
ASSI { 796}
(( segid "PAH " and resid 378 and name HA ))
(( segid "PAH " and resid 378 and name HN ))
2.800 1.000 1.000 peak 796 spectrum 1 weight 0.10000E+01 volume 0.26023E-02 ppm1 7.511 ppm2 3.981 CV 1
ASSI { 797}
(( segid "PAH " and resid 377 and name HA2 ))
(( segid "PAH " and resid 378 and name HN ))
3.600 1.600 1.600 peak 797 spectrum 1 weight 0.10000E+01 volume 0.92901E-03 ppm1 7.508 ppm2 3.753 CV 1
ASSI { 800}
(( segid "PAH " and resid 378 and name HG1 ))
(( segid "PAH " and resid 378 and name HN ))
2.900 1.000 1.000 peak 800 spectrum 1 weight 0.10000E+01 volume 0.21484E-02 ppm1 7.510 ppm2 2.189 CV 1
ASSI { 801}
(( segid "PAH " and resid 378 and name HG2 ))
(( segid "PAH " and resid 378 and name HN ))
2.700 0.900 0.900 peak 801 spectrum 1 weight 0.10000E+01 volume 0.32992E-02 ppm1 7.508 ppm2 2.098 CV 1
ASSI { 802}
(( segid "PAH " and resid 378 and name HB2 ))
(( segid "PAH " and resid 378 and name HN ))
2.400 0.700 0.700 peak 802 spectrum 1 weight 0.10000E+01 volume 0.66775E-02 ppm1 7.509 ppm2 1.721 CV 1
OR { 802}
(( segid "PAH " and resid 378 and name HB1 ))
(( segid "PAH " and resid 378 and name HN ))
ASSI { 804}
( segid "PAH " and resid 379 and name HD% )
(( segid "PAH " and resid 379 and name HN ))
2.700 0.900 0.900 peak 804 spectrum 1 weight 0.10000E+01 volume 0.31144E-02 ppm1 7.737 ppm2 7.200 CV 1
ASSI { 805}
(( segid "PAH " and resid 380 and name HN ))
(( segid "PAH " and resid 379 and name HN ))
2.600 0.800 0.800 peak 805 spectrum 1 weight 0.10000E+01 volume 0.38271E-02 ppm1 7.739 ppm2 6.968 CV 1
ASSI { 806}
( segid "PAH " and resid 379 and name HE% )
(( segid "PAH " and resid 379 and name HN ))
4.100 2.100 1.900 peak 806 spectrum 1 weight 0.10000E+01 volume 0.51467E-03 ppm1 7.735 ppm2 6.777 CV 1
ASSI { 807}
(( segid "PAH " and resid 376 and name HA ))
(( segid "PAH " and resid 379 and name HN ))
4.300 2.400 1.700 peak 807 spectrum 1 weight 0.10000E+01 volume 0.22645E-03 ppm1 7.739 ppm2 4.350 CV 1
ASSI { 808}
(( segid "PAH " and resid 379 and name HA ))
(( segid "PAH " and resid 379 and name HN ))
2.900 1.100 1.100 peak 808 spectrum 1 weight 0.10000E+01 volume 0.20719E-02 ppm1 7.738 ppm2 4.120 CV 1
ASSI { 809}
(( segid "PAH " and resid 378 and name HA ))
(( segid "PAH " and resid 379 and name HN ))
3.500 1.600 1.600 peak 809 spectrum 1 weight 0.10000E+01 volume 0.70998E-03 ppm1 7.738 ppm2 3.976 CV 1
ASSI { 810}
(( segid "PAH " and resid 377 and name HA2 ))
(( segid "PAH " and resid 379 and name HN ))
3.900 1.900 1.900 peak 810 spectrum 1 weight 0.10000E+01 volume 0.36687E-03 ppm1 7.741 ppm2 3.739 CV 1
ASSI { 811}
(( segid "PAH " and resid 379 and name HB1 ))
(( segid "PAH " and resid 379 and name HN ))
3.600 1.600 1.600 peak 811 spectrum 1 weight 0.10000E+01 volume 0.15150E-02 ppm1 7.737 ppm2 2.863 CV 1
ASSI { 812}
(( segid "PAH " and resid 379 and name HB2 ))
(( segid "PAH " and resid 379 and name HN ))
2.600 0.800 0.800 peak 812 spectrum 1 weight 0.10000E+01 volume 0.30616E-02 ppm1 7.738 ppm2 2.554 CV 1
ASSI { 813}
(( segid "PAH " and resid 378 and name HG1 ))
(( segid "PAH " and resid 379 and name HN ))
3.800 1.800 1.800 peak 813 spectrum 1 weight 0.10000E+01 volume 0.79182E-03 ppm1 7.741 ppm2 2.177 CV 1
ASSI { 814}
(( segid "PAH " and resid 378 and name HB2 ))
(( segid "PAH " and resid 379 and name HN ))
3.100 1.200 1.200 peak 814 spectrum 1 weight 0.10000E+01 volume 0.12141E-02 ppm1 7.739 ppm2 1.717 CV 1
OR { 814}
(( segid "PAH " and resid 378 and name HB1 ))
(( segid "PAH " and resid 379 and name HN ))
ASSI { 815}
(( segid "PAH " and resid 380 and name HB2 ))
(( segid "PAH " and resid 379 and name HN ))
3.800 1.800 1.800 peak 815 spectrum 1 weight 0.10000E+01 volume 0.63344E-03 ppm1 7.740 ppm2 1.370 CV 1
ASSI { 817}
(( segid "PAH " and resid 378 and name HN ))
(( segid "PAH " and resid 380 and name HN ))
3.800 1.800 1.800 peak 817 spectrum 1 weight 0.10000E+01 volume 0.62024E-03 ppm1 6.967 ppm2 7.491 CV 1
ASSI { 818}
( segid "PAH " and resid 379 and name HD% )
(( segid "PAH " and resid 380 and name HN ))
4.100 2.100 1.900 peak 818 spectrum 1 weight 0.10000E+01 volume 0.62552E-03 ppm1 6.970 ppm2 7.203 CV 1
ASSI { 819}
(( segid "PAH " and resid 380 and name HA ))
(( segid "PAH " and resid 380 and name HN ))
2.800 1.000 1.000 peak 819 spectrum 1 weight 0.10000E+01 volume 0.20798E-02 ppm1 6.967 ppm2 4.603 CV 1
ASSI { 821}
(( segid "PAH " and resid 378 and name HA ))
(( segid "PAH " and resid 380 and name HN ))
4.000 2.000 2.000 peak 821 spectrum 1 weight 0.10000E+01 volume 0.34839E-03 ppm1 6.969 ppm2 3.976 CV 1
ASSI { 822}
(( segid "PAH " and resid 377 and name HA2 ))
(( segid "PAH " and resid 380 and name HN ))
3.400 1.500 1.500 peak 822 spectrum 1 weight 0.10000E+01 volume 0.64663E-03 ppm1 6.968 ppm2 3.752 CV 1
ASSI { 823}
(( segid "PAH " and resid 381 and name HD1 ))
(( segid "PAH " and resid 380 and name HN ))
4.000 2.000 2.000 peak 823 spectrum 1 weight 0.10000E+01 volume 0.48564E-03 ppm1 6.969 ppm2 3.637 CV 1
ASSI { 824}
(( segid "PAH " and resid 379 and name HB1 ))
(( segid "PAH " and resid 380 and name HN ))
4.300 2.300 1.700 peak 824 spectrum 1 weight 0.10000E+01 volume 0.40646E-03 ppm1 6.975 ppm2 2.845 CV 1
ASSI { 825}
(( segid "PAH " and resid 379 and name HB2 ))
(( segid "PAH " and resid 380 and name HN ))
3.200 1.300 1.300 peak 825 spectrum 1 weight 0.10000E+01 volume 0.82608E-03 ppm1 6.969 ppm2 2.559 CV 1
ASSI { 826}
(( segid "PAH " and resid 380 and name HB1 ))
(( segid "PAH " and resid 380 and name HN ))
3.400 1.500 1.500 peak 826 spectrum 1 weight 0.10000E+01 volume 0.14806E-02 ppm1 6.971 ppm2 1.519 CV 1
ASSI { 827}
(( segid "PAH " and resid 380 and name HB2 ))
(( segid "PAH " and resid 380 and name HN ))
2.400 0.700 0.700 peak 827 spectrum 1 weight 0.10000E+01 volume 0.48564E-02 ppm1 6.970 ppm2 1.343 CV 1
OR { 827}
(( segid "PAH " and resid 380 and name HG ))
(( segid "PAH " and resid 380 and name HN ))
ASSI { 828}
( segid "PAH " and resid 380 and name HD2%)
(( segid "PAH " and resid 380 and name HN ))
3.800 1.800 1.800 peak 828 spectrum 1 weight 0.10000E+01 volume 0.74955E-03 ppm1 6.973 ppm2 0.771 CV 1
OR { 828}
( segid "PAH " and resid 380 and name HD1%)
(( segid "PAH " and resid 380 and name HN ))
ASSI { 830}
(( segid "PAH " and resid 382 and name HA ))
(( segid "PAH " and resid 382 and name HN ))
2.900 1.000 1.000 peak 830 spectrum 1 weight 0.10000E+01 volume 0.24440E-02 ppm1 8.443 ppm2 4.528 CV 1
ASSI { 831}
(( segid "PAH " and resid 381 and name HA ))
(( segid "PAH " and resid 382 and name HN ))
2.400 0.700 0.700 peak 831 spectrum 1 weight 0.10000E+01 volume 0.63608E-02 ppm1 8.443 ppm2 4.422 CV 1
ASSI { 832}
(( segid "PAH " and resid 381 and name HD2 ))
(( segid "PAH " and resid 382 and name HN ))
3.300 3.300 2.700 peak 832 spectrum 1 weight 0.10000E+01 volume 0.59384E-03 ppm1 8.442 ppm2 3.639 CV 1
OR { 832}
(( segid "PAH " and resid 381 and name HD1 ))
(( segid "PAH " and resid 382 and name HN ))
ASSI { 833}
(( segid "PAH " and resid 382 and name HB1 ))
(( segid "PAH " and resid 382 and name HN ))
3.400 1.500 1.500 peak 833 spectrum 1 weight 0.10000E+01 volume 0.12035E-02 ppm1 8.443 ppm2 2.690 CV 1
ASSI { 834}
(( segid "PAH " and resid 382 and name HB2 ))
(( segid "PAH " and resid 382 and name HN ))
2.700 0.900 0.900 peak 834 spectrum 1 weight 0.10000E+01 volume 0.30088E-02 ppm1 8.440 ppm2 2.514 CV 1
ASSI { 835}
(( segid "PAH " and resid 381 and name HB1 ))
(( segid "PAH " and resid 382 and name HN ))
3.800 1.900 1.900 peak 835 spectrum 1 weight 0.10000E+01 volume 0.67303E-03 ppm1 8.440 ppm2 2.296 CV 1
ASSI { 836}
(( segid "PAH " and resid 381 and name HG1 ))
(( segid "PAH " and resid 382 and name HN ))
3.700 1.700 1.700 peak 836 spectrum 1 weight 0.10000E+01 volume 0.98713E-03 ppm1 8.442 ppm2 2.038 CV 1
OR { 836}
(( segid "PAH " and resid 381 and name HG2 ))
(( segid "PAH " and resid 382 and name HN ))
ASSI { 837}
(( segid "PAH " and resid 381 and name HB2 ))
(( segid "PAH " and resid 382 and name HN ))
3.200 1.300 1.300 peak 837 spectrum 1 weight 0.10000E+01 volume 0.11798E-02 ppm1 8.443 ppm2 1.963 CV 1
ASSI { 838}
(( segid "PAH " and resid 382 and name HN ))
(( segid "PAH " and resid 383 and name HN ))
3.000 1.100 1.100 peak 838 spectrum 1 weight 0.10000E+01 volume 0.18106E-02 ppm1 7.649 ppm2 8.437 CV 1
ASSI { 839}
(( segid "PAH " and resid 382 and name HA ))
(( segid "PAH " and resid 383 and name HN ))
2.900 1.000 1.000 peak 839 spectrum 1 weight 0.10000E+01 volume 0.23569E-02 ppm1 7.648 ppm2 4.521 CV 1
ASSI { 840}
(( segid "PAH " and resid 383 and name HA ))
(( segid "PAH " and resid 383 and name HN ))
3.300 1.400 1.400 peak 840 spectrum 1 weight 0.10000E+01 volume 0.98975E-03 ppm1 7.649 ppm2 4.056 CV 1
ASSI { 841}
(( segid "PAH " and resid 382 and name HB1 ))
(( segid "PAH " and resid 383 and name HN ))
3.800 1.800 1.800 peak 841 spectrum 1 weight 0.10000E+01 volume 0.60177E-03 ppm1 7.651 ppm2 2.690 CV 1
ASSI { 842}
(( segid "PAH " and resid 382 and name HB2 ))
(( segid "PAH " and resid 383 and name HN ))
4.100 2.100 1.900 peak 842 spectrum 1 weight 0.10000E+01 volume 0.34047E-03 ppm1 7.652 ppm2 2.509 CV 1
ASSI { 844}
(( segid "PAH " and resid 381 and name HB2 ))
(( segid "PAH " and resid 383 and name HN ))
3.700 1.800 1.800 peak 844 spectrum 1 weight 0.10000E+01 volume 0.45132E-03 ppm1 7.653 ppm2 1.979 CV 1
ASSI { 845}
( segid "PAH " and resid 383 and name HB% )
(( segid "PAH " and resid 383 and name HN ))
2.800 1.000 1.000 peak 845 spectrum 1 weight 0.10000E+01 volume 0.32200E-02 ppm1 7.649 ppm2 1.283 CV 1
ASSI { 846}
( segid "PAH " and resid 362 and name HG2%)
(( segid "PAH " and resid 362 and name HN ))
3.100 1.200 1.200 peak 846 spectrum 1 weight 0.10000E+01 volume 0.93432E-03 ppm1 8.402 ppm2 9.673 CV 1
ASSI { 847}
( segid "PAH " and resid 362 and name HG2%)
(( segid "PAH " and resid 363 and name HN ))
4.100 2.100 1.900 peak 847 spectrum 1 weight 0.10000E+01 volume 0.74955E-03 ppm1 8.729 ppm2 9.659 CV 1
ASSI { 853}
( segid "SID " and resid 19 and name HD2%)
(( segid "PAH " and resid 312 and name HN ))
3.200 1.300 1.300 peak 853 spectrum 1 weight 0.10000E+01 volume 0.15440E-02 ppm1 8.477 ppm2 0.950 CV 1
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